smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299815028 QRRVYNHCMMRFJK-AORDTYNOSA-N 496.732 6.811 50 1 JKGF Cc1ccc2c3c(cc(-c4ccc(NC(=O)C(C)(C)CCl)cc4)nc13)-c1ccccc1C2=O 586993783 OTNLXIZJBFEBTG-UHFFFAOYSA-N 454.957 6.625 50 1 JKGF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587160446 RZPGVYJXMOGHBM-UHFFFAOYSA-N 462.169 6.697 50 1 JKGF COc1cccc([C@]2(CCCCCCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962930680 WIZGGPWAZIHBHN-XCZPVHLTSA-N 496.003 5.835 50 1 JKGF CC1=CCC(=C(C)C)C[C@@]2(O)C(=O)c3cc(cc(O)c3C(=O)[C@]2(C)Cl)OC(C)(C)[C@H](Cl)CC1 2356716504 OGKULKCQQIVNDI-RFLWCCGPSA-N 495.443 6.121 50 1 JKGF Cc1nc(Cl)sc1C(=O)Nc1cccc(Oc2ccc(NC(=O)/C(C#N)=C(\O)C3CC3)cc2)c1 263620719 LSKVCRHBWSIYNZ-VXPUYCOJSA-N 494.960 5.834 50 1 JKGF in-vitro O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 587027120 PPERWAOBQWZMAY-CCKFTAQKSA-N 491.551 7.357 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056896 SMJJVQNGHPEPHW-CPNJWEJPSA-N 494.426 6.282 50 1 JKGF COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br 587319196 AQCBNDAOPDICFZ-GGAORHGYSA-N 491.740 5.796 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)CC2=O 587449950 CPKIETXKCWUPSK-URXFXBBRSA-N 474.395 5.583 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CBr)[C@@]2(C)CBr 587456322 NLITWEGLVJUXJK-MZNUGIIHSA-N 486.244 5.645 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587685198 OELLEEINNQJHMW-PCMMCCAGSA-N 477.846 5.496 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687388 GMHNUNQMLJFQIH-HCOMASKESA-N 472.829 6.963 50 1 JKGF Cc1cccc([C@]2(CCCCCCCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c1 963193167 LBEIUSCEXYXEDR-LOYHVIPDSA-N 457.061 7.551 50 1 JKGF Cc1nc(Nc2ccc(OCCCBr)cc2)c2c(C)nn(-c3ccccc3)c2n1 1772624939 HIUJIZSDHGMBNJ-UHFFFAOYSA-N 452.356 5.340 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O 28647097 KZMOSVHCAINXLS-KOGSSWOMSA-N 488.709 5.409 50 1 JKGF C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(C)c([N+](=O)[O-])c1 34827991 VIFDHKFGZBVEIC-WGOQTCKBSA-N 476.583 5.959 50 1 JKGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@@]13OO2 101259520 LZEZMYBERCJAAF-YUXHNHOPSA-N 467.562 5.967 50 1 JKGF CN(C1CCC2(CC1)OCC(C)(C)OO2)[C@H]1CC[C@@H](Nc2ccnc3cc(Cl)ccc23)CC1 165427588 JPJTZJQIEUXNCI-OUFUOGDPSA-N 474.045 5.939 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 194960466 CASWDFLWXWLZCX-HGRYVUDWSA-N 480.985 5.471 50 1 JKGF N#CSc1c(-c2ccc(Br)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12 299828354 JERNPVGSPGPYAV-UHFFFAOYSA-N 461.797 6.038 50 1 JKGF O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(F)cc2N1 587332803 KAHSCMRKVGEVQJ-ILBGXUMGSA-N 469.871 5.048 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(F)ccc(Br)c1Cl)O2 587382416 QZQBTTDVLDGLPB-QGZVFWFLSA-N 477.555 5.388 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587420642 GJFOZSKLMOGQOE-KBXCAEBGSA-N 477.660 5.285 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 587511053 ZUJJNCKMFBKFAL-SANMLTNESA-N 487.949 7.091 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(Cl)ccc(F)c1Cl 587553067 DKGMKVRCYGZDJQ-UWJYYQICSA-N 453.680 5.934 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587844962 PSNTYJKFNXMERC-NPMXOYFQSA-N 453.380 6.149 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc(Br)c(NC(=O)CCl)c(Br)c1 587900836 WCZHRYWFEDYUNI-UHFFFAOYSA-N 491.994 5.451 50 1 JKGF Cc1cc([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1-c1ccc2c(c1)CCC2 962697037 HMHWBBXRYFKRBI-PWUYWRBVSA-N 495.107 6.568 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@@H]4[C@]3(C)CC[C@@]35OO[C@@H](CC(=O)C3(C)C)[C@]45C)[C@H]12 2356428519 OCQVIAYBPXDENN-RVMOPTQDSA-N 470.694 6.267 50 1 JKGF C=C(C)[C@@H](CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C)OO 2356540959 MNBULVJBKRSNLP-HMKWURNZSA-N 458.727 7.637 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802495 WPOIKWAUAJRGRD-IYAQBTTPSA-N 475.492 5.050 50 1 JKGF CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 49068077 WZPGEXOTYOVAPL-UNCOXZGGSA-N 456.590 5.948 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 58689552 NLJZUEBZNDLTIT-BZCFEEOXSA-N 496.732 7.438 50 1 JKGF Cc1ccc([P+](Cc2ccc(C(=O)c3ccccc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 84670057 FKZLPQGFLVKRGP-UHFFFAOYSA-N 499.614 7.337 50 1 JKGF Cl[C@@H](Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccc(I)cc1 96272485 KYMAYNPDUQDNMU-KRWDZBQOSA-N 475.721 5.155 50 1 JKGF N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)c1c[nH]c2ccc(Br)cc12 299820180 CNSKPXKBLCPENR-VZUCSPMQSA-N 469.136 5.964 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 586910278 OEAFWHBFWLVZEV-FQEVSTJZSA-N 452.489 6.870 50 1 JKGF O=C(O)CSc1ncccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 586969267 UWGPGUZFTVAILN-UHFFFAOYSA-N 490.273 6.222 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(COc2ccccc2)[C@@H]1c1ccc(F)cc1 587321113 IJWYSLOTTLXLMK-FYYLOGMGSA-N 457.295 5.103 50 1 JKGF O=C1C[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587530213 BKLADANNMVIUJR-RUZDIDTESA-N 469.990 5.094 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543054 INFDXQIDUGAMJX-MATGHHGYSA-N 499.950 5.863 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)cc2)N1 587680103 NYIVBHLVQSJCBJ-HXPMCKFVSA-N 475.627 6.148 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587682077 BEDBQLHNROCVQB-VERVWZFWSA-N 465.794 5.225 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587682258 CAJPNOBCZAERPA-CMJOXMDJSA-N 452.839 6.683 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)F)c2)N1 587712419 ALTHOQBANJJWJZ-YPMLDQLKSA-N 479.134 5.362 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587719800 LSIJWUUIYSWMLP-QGHHPUGFSA-N 497.124 5.660 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCCCCc2ccccc2)cc(C(F)(F)F)c1 1857651474 PMPOWICQKOMAOG-UHFFFAOYSA-N 482.974 6.076 50 1 JKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@H]1c1ccccc1Br 1911584997 DQCOZYGOAKLRAW-NRFANRHFSA-N 487.309 5.146 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)O1)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356508775 PZQOXRKFZMYSOB-DSJDWBEOSA-N 464.282 5.915 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 586973144 FYPGXDXBYHLXEK-SECBINFHSA-N 473.006 6.135 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054636 HJJUDGXZSPGWGQ-DHDCSXOGSA-N 452.301 6.250 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498316 MSGAQBUORWLTQL-OFJJUDJNSA-N 485.967 5.585 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587542236 GHWORCZCVSTQTD-NAKRPHOHSA-N 473.956 6.204 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1 587542677 IEDYIVWDKNGBSO-WMDMVVLCSA-N 467.949 5.085 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cc(F)cc1F 587554784 FJRIOFCANWUJQK-RXVVDRJESA-N 465.221 5.062 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674099 STAUKGFVZRTLCW-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 587715498 CSMAQANHDIUJCG-MZGKXCMESA-N 495.152 5.761 50 1 JKGF COc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O 587784998 GRSAHOVTXYOTAZ-NSCUHMNNSA-N 487.244 6.573 50 1 JKGF CCOc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1CCl 963177458 CYUXLUSGRZUQKE-FXAWDEMLSA-N 462.295 5.359 50 1 JKGF C/C(=C\C(=O)O)c1ccc(N(CC(C)C)CC(C)C)c(NC(=O)N/N=C/c2ccc(C)cc2)c1 1857575539 DNKSINFSZKEPBU-NQVOJEAZSA-N 464.610 5.757 50 1 JKGF CCOc1ccc(NC(=O)c2cc3c(cc2OC)[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC3)cc1 1857766478 RSDJQSZIBRUUDQ-RBJSKKJNSA-N 458.558 5.225 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356479632 XNRQWWCTSMJFJI-JBOQNHBVSA-N 472.710 6.389 50 1 JKGF C[C@](Cl)(C=C[C@H](Br)[C@@](C)(Cl)[C@@H](Br)CCl)CBr 2356700998 PHKONGFYKSGPSW-AATLWQCWSA-N 480.293 5.698 50 1 JKGF COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126787 AHIYAFPZNJJMMS-UHFFFAOYSA-N 494.595 5.806 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320324 FJFSJAZWKJEGER-ILBGXUMGSA-N 485.349 5.968 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(I)cc1)CC2=O 587471671 MBAPFEZTVBQHNO-IBGZPJMESA-N 456.707 5.049 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587685194 ODMONFFENCLMRC-MGNBDDOMSA-N 451.594 6.302 50 1 JKGF CCC[C@H](SSC[C@@H](NC(C)=O)C(=O)O)c1cc(C)ccc1C=CCCCC(=O)O 2356334533 IZPIIKDCVJWAGQ-UXHICEINSA-N 453.626 5.075 50 1 JKGF O=C(NCc1ccccc1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8829508 UFFCTWJAUYAWNT-NLDZOOGBSA-N 480.548 5.199 50 1 JKGF CCCCCCCCCCCCCC[C@@H](Br)c1cccc(OC)c1C(=O)OC 58603552 QIGPGHGQFVTXHP-OAQYLSRUSA-N 455.477 8.009 50 1 JKGF O=C(NCCCCl)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 473135529 JFRXEDSNXVSIKJ-UHFFFAOYSA-N 480.573 5.726 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322015 LCMUWEJYEBKWIP-ISKFKSNPSA-N 471.322 5.579 50 1 JKGF N#CSC[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587368838 AJJKDLKAXNSQAC-AHKZPQOWSA-N 455.510 6.153 50 1 JKGF N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587542666 IBCPPATWVKYMDD-BVAGGSTKSA-N 458.901 5.621 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 587669438 CYMZLHBIHLRKGI-ZSMADZGOSA-N 496.218 5.347 50 1 JKGF Cc1cc([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1-c1ccc(Cl)c(Cl)c1 962930172 KTLQWKHKLZIYNH-VWLOTQADSA-N 490.862 5.731 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CCCBr)c1ccc(Cl)cc1 963290147 UNFPMGMGSRDORY-LJQANCHMSA-N 457.637 6.009 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@]34O[C@@H]4C[C@@]12C 2356531078 YMOPKZYYURKDKI-DWGOONRMSA-N 454.695 6.645 50 1 JKGF CCc1c(C(=O)CCl)[nH]c(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587356970 CTYYVDLZWJPHKX-UHFFFAOYSA-N 458.945 6.944 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 587372255 FETKEEHEOSXBEF-IFMALSPDSA-N 451.346 6.520 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(C)cc(C)c3)c1C)CC2=O 587461173 QDXIPMASWJIFMD-MHZLTWQESA-N 451.994 6.469 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)CC2=O 587462108 PIAFOSKJXDLEHA-LJQANCHMSA-N 479.239 5.897 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546590 WWDVVPGBIQXKIE-CKQQRQADSA-N 465.933 5.615 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)c(F)c1 587559406 XCZMGXJKUPZXOV-UWJYYQICSA-N 465.221 5.062 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 587687771 HWVQWJBOLAMRAT-ZSMADZGOSA-N 461.766 5.218 50 1 JKGF COc1ccc(Cl)cc1C#CCC(CBr)=C(CBr)CBr 587899069 YSVWOJHLIUNPEE-UHFFFAOYSA-N 485.441 5.572 50 1 JKGF FC(F)(F)c1ccc([C@]2(CCCCl)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962634427 HPDRSADOVGNELE-AHKZPQOWSA-N 484.993 6.715 50 1 JKGF CCCc1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963185076 KDMVPWCTGXPZNB-UZLBHIALSA-N 490.747 5.549 50 1 JKGF Cc1ncccc1-c1cc(C(F)(F)F)cc([C@@]2(C(C)C)C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 1772609100 ZXBGEBRVAZGYKC-QHCPKHFHSA-N 453.468 5.136 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)OO 2356346698 WUTWJINSEQBSKE-JSTHBCLSSA-N 474.726 6.774 50 1 JKGF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356495610 XEWVATFZTBNDCF-CRVFOLFTSA-N 486.901 9.884 50 1 JKGF C=C(C)[C@H](OO)[C@@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356674156 XSBBXSMODSRERW-CVQJMXJESA-N 474.726 6.608 50 1 JKGF CC[C@H](Oc1ccccc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587062789 WBRTWITVTHHCMS-ZDUSSCGKSA-N 491.707 8.166 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)O2 587383059 QMMQKZILJCBGOT-HSZRJFAPSA-N 478.898 5.983 50 1 JKGF CCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538983 TUXROYLEZYORKB-NZQKXSOJSA-N 455.304 5.043 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587547194 ZHXGTUWUKLYZTG-NEKDWFFYSA-N 482.875 5.221 50 1 JKGF CC(C)c1ccc([C@@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669474 DGPCLXRVUBXGRY-ZMOMAAQPSA-N 469.236 6.273 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 587672962 JFYOFTOMNJWPEK-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587684591 LFVCTLCNAQDLPA-RCDICMHDSA-N 464.762 5.529 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2F)([C@@H](C)Br)N1 587717886 LUTMELVMNYAQKL-CLFVBBPSSA-N 463.135 5.428 50 1 JKGF O=C(CCCCN=C=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 653821021 KNHNLXAJFRCYKQ-UHFFFAOYSA-N 456.369 5.348 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)c3ccsc3CCN2Cc2cccn2C)c(C)n1-c1ccc(Cl)cc1 962401042 VBGKJNSOOAOQTN-DCFHFQCYSA-N 498.523 7.077 50 1 JKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(S(F)(F)(F)(F)F)cc3)N12 962662786 ISANWDQKDFJXEI-RXVVDRJESA-N 458.452 6.080 50 1 JKGF ClCCCCCC[C@@]1(c2cccc(I)c2)NCCc2nc3ccccn3c21 962987521 NBGXFEGADMYRDF-QFIPXVFZSA-N 493.820 5.518 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCCl)(c2cccc(F)c2)N1 963184805 UCTDELBLNCEUSB-RBBKRZOGSA-N 492.340 6.530 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(C)C(=O)C1=C(C2=O)[C@H](N=N)C(=O)C=C1O 2356843921 NQTFQLKDNBYGBP-DCNFIHAJSA-N 489.012 5.493 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(C)C(=O)C1=C(C2=O)[C@@H](N=N)C(O)=CC1=O 2356863154 VDYWANKAXXQDOQ-GGPXRAADSA-N 489.012 5.493 50 1 JKGF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCI)cc1 36381207 UCFYYRKEXNHXDI-UHFFFAOYSA-N 463.408 5.640 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1OC)C(=O)[C@@H](C)Cl 40973526 VTSHXSINHSWXOP-BCHFMIIMSA-N 480.008 5.178 50 1 JKGF COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)ccc1OCc1ccccc1 115596614 IBYYQTDCBWGMKX-STBIYBPSSA-N 455.558 5.386 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3C[C@@H]3OC(CC[C@@H](C)CCl)=C(C)[C@@H]32)C1 136479499 VKPSLENWCQQPSE-GNCFDDTLSA-N 491.112 6.694 50 1 JKGF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586952892 JIXYWNKLZDUSOF-UHFFFAOYSA-N 482.481 6.145 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 586973746 NTYWZTHKCUCIOC-QMMMGPOBSA-N 473.994 5.530 50 1 JKGF CC(=O)Oc1ccc(C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328919 WOFHVXVFYFWYBQ-UKILVPOCSA-N 454.881 5.036 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587332083 IMFNWQQDIGZIIK-VWNXMTODSA-N 473.313 6.100 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Cl)[C@@H]1c1ccc(F)cc1 587332133 JDAKXEABNSPNLQ-IRLDBZIGSA-N 479.704 5.973 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl 587496187 BUGRGVMOVLNUHP-SANMLTNESA-N 488.842 7.379 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689455 SONASZJZZTVVGZ-IQMFZBJNSA-N 452.839 6.852 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587849520 AIIMKJZXPUHWJA-DFURXBFJSA-N 489.838 5.057 50 1 JKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(c3ccc(F)cc3C[C@@H]3CCCN31)c1ccccc1C2=O 963099819 JZOZPWJPYAKDTN-CBZJRKILSA-N 495.381 5.513 50 1 JKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C 2356632749 RGRCZGBEYSJVDE-GWRGGIJNSA-N 471.711 5.337 50 1 JKGF Cc1ccc(N[P@](=O)(Oc2c(F)c(F)c(F)c(F)c2F)N(CCCl)CCCl)cc1 2028023 SNCBPYCYUUWWEV-LJAQVGFWSA-N 477.197 6.069 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3cc(Cl)cc(Cl)c3)CC2)OO1 43967573 OTOSONGNEXTYRO-YVVHSEAESA-N 496.434 7.772 50 1 JKGF Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 103286930 BUNFYBRJVZNIJV-CWTOASCOSA-N 452.602 5.474 50 1 JKGF CC(C)[C@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]3(OO1)O2 238772924 LSKFUXMHFNDFAV-CLEUFDEXSA-N 474.726 7.243 50 1 JKGF Cc1ccc2ccccc2c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586883853 OJXCBUAOOFBZNB-UHFFFAOYSA-N 463.269 8.111 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183854 JRNIIKVJSGUZMO-QPJJXVBHSA-N 472.220 6.995 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324155 WPWIJDPWRBAXNE-AZGAKELHSA-N 498.392 6.027 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)CC2=O 587457428 ZCWRGFZGZULXRP-XRHLQHRESA-N 495.413 6.568 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(F)(F)F)ccc1F)CC2=O 587463920 DKTCJHAIYPYOJI-LJQANCHMSA-N 461.249 5.758 50 1 JKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(F)cc1 587509360 RIYMYICEMCJLDY-CRCBRLRVSA-N 466.984 5.924 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCBr)cc2)N1 587672685 HCKAKJDTYSSZGS-BUXKBTBVSA-N 457.181 5.376 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587686346 UCHPVYVLVSITFC-CFMSYZGJSA-N 471.153 5.233 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Cl)N1 587725831 GMDXBEVEBULWJX-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF CC1(C)OOC2(CCC(C(=O)Nc3ccc4ncnc(Nc5cccc(Cl)c5)c4c3)CC2)OO1 1772588226 YEOQLUSHLPPCDY-UHFFFAOYSA-N 484.940 5.498 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)OO 2356346700 WUTWJINSEQBSKE-XRXCFUGBSA-N 474.726 6.774 50 1 JKGF C=C(c1ccccc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 95575011 ZBGUXRMNDNGNTP-VVFLQCGGSA-N 452.635 6.147 50 1 JKGF O=C(NCCCl)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 473135441 IGYODQLVYZNFRH-UHFFFAOYSA-N 457.313 5.151 50 1 JKGF CCS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587054461 FZIXQMZDGUNHQF-BOPFTXTBSA-N 499.423 6.135 50 1 JKGF C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587098985 VKQIZLWRSPTMRM-MRVPVSSYSA-N 495.233 8.153 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl 587324141 WIILDDMPNLUGPW-FYYLOGMGSA-N 475.741 6.142 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(F)c2)[C@H]1c1ccc(F)cc1 587330993 GSSQNUUUVGUJQD-UNMCSNQZSA-N 463.249 5.459 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)CC2=O 587455567 CVDZJYILFIQSDZ-ODCWNRFASA-N 489.406 5.940 50 1 JKGF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@@H](Br)CCCCC[C@@H]2Br 587500191 RVJLXVFBLBDEFX-ROUUACIJSA-N 456.218 5.761 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 587511049 ZUJJNCKMFBKFAL-AREMUKBSSA-N 487.949 7.091 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673430 MRDLXVMYAHQOJC-HXPMCKFVSA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587714641 WGODEHROOOYRML-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(F)c2F)N1 587715614 IIDUNIVYQPGJAC-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1-c1nccs1 963192088 QAJYIGAWODMZNT-XNMGPUDCSA-N 473.045 6.156 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(CC(F)(F)F)cc(-c3ccc(Cl)s3)c1)(C(C)C)C(C#N)=C(N)O2 1772648497 ZRVITFSKHPEOLV-QHCPKHFHSA-N 492.954 6.233 50 1 JKGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 96934056 LVUNKWKXQCVJFT-JYRKZWEQSA-N 497.263 5.571 50 1 JKGF COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\C=O)[C@@]3(C)CC[C@H]21 169363000 XCWQDUIKQDWONL-PCUYTCHYSA-N 496.644 5.477 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccccc3Cl)ccc21 299860047 GKAITXRMTDSHBL-CCVNUDIWSA-N 485.802 6.837 50 1 JKGF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586946157 HOMBKCQJQBXQJM-ZDUSSCGKSA-N 483.484 5.345 50 1 JKGF NNC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 587077801 YCTKWHWSTMFXLR-SSZFMOIBSA-N 465.944 5.522 50 1 JKGF FC(F)(F)c1cncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587115415 NKSAMTGIZWQCNI-UHFFFAOYSA-N 468.167 7.064 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1 587329699 YZKRIZIMTWNPGW-BBVXACFBSA-N 483.967 5.622 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)ccc(F)c1Cl 587556366 OGIVDDQNPSEOLU-UTKZUKDTSA-N 498.131 6.090 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 587573801 XTPPRJMCRAPDSM-NAKRPHOHSA-N 491.946 6.094 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)c2ccccc2)N1 587673092 KGALSUOZPQSVRA-DURYTUKUSA-N 489.226 6.502 50 1 JKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1[C@@]1(C)c3ccccc3CCN1[C@H](C#N)c1ccccc1)OCO2 963197330 ZISRDRLJDDPWJK-UAVWWRDJSA-N 487.987 5.368 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)C21CC(O[Si](C)(C)C(C)(C)C)C1 963863115 OPLAZYIMGYHOQV-GEUIHZRBSA-N 475.702 6.011 50 1 JKGF CCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1 42920123 YEAAJSCMMJDKLF-DLABQZEESA-N 485.530 7.792 50 1 JKGF Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@H]3c3ccccc3)c2C#N)cc1 96933509 SWIVPPUYUJQGAY-IZZNHLLZSA-N 489.966 6.167 50 1 JKGF COc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 98082166 LKJWEHAIQAZPDY-XMMPIXPASA-N 453.498 5.159 50 1 JKGF CC(=O)OC1=CC[C@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 194953822 RFLQJTRSEXSOHC-LBJAMFMMSA-N 470.638 5.800 50 1 JKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1 299841008 XHQKQEILDROLKV-VWLOTQADSA-N 496.563 5.581 50 1 JKGF O=[N+]([O-])c1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587150052 YQHWDIBCGYCEFK-UHFFFAOYSA-N 492.195 6.609 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)s1 587614415 SKFHLTPJOSBFCX-NQIIRXRSSA-N 479.779 6.092 50 1 JKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1C 587924019 ZCWDGVDSQMTKTF-MOSHPQCFSA-N 454.621 5.098 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1CCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356761614 RQLMZJMQAUSPIT-BSLQLIBWSA-N 472.754 7.577 50 1 JKGF C=C[C@@](Br)(CBr)CC[C@H](Br)C(C)(C)Br 1635419 QTOSBTPZXCUHJE-WPRPVWTQSA-N 455.854 5.418 50 1 JKGF CC[C@@H]1Oc2oc(cc(=O)c2Br)CCC#CC/C=C\C/C=C\C[C@@H]1Br 34326716 TXUVKVIZMJASCN-HMNNELRCSA-N 470.201 5.556 50 1 JKGF O=[P@]1(Oc2ccccc2)N=P(c2ccccc2)(c2ccccc2)C=C(c2ccc(Cl)cc2)N1 102950784 HJSUVYHJPMKGJT-MGBGTMOVSA-N 490.867 7.281 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 137639159 RQLMZJMQAUSPIT-IFFFSDDRSA-N 472.754 7.577 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)CC(C=O)=C(O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299814818 HILDOMZMECOQHZ-SFBXMVEDSA-N 498.748 7.518 50 1 JKGF OCC12CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)(CC1)CC2 586895720 VSNVFRXTGWXJKK-UHFFFAOYSA-N 461.294 6.567 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587414212 LRXFACIWTCYTFG-XMYANBKOSA-N 473.363 5.073 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Br)c1ccccc1 587537363 DJJNBURTJSTCAF-YGPDHOBYSA-N 487.349 6.386 50 1 JKGF CS/C(Nc1ccccc1Cl)=C(\C#N)[C@]1(C(C)(C)C)c2ccsc2CCN1Cc1ccco1 962703557 CJFTUKBITLQGKU-LHAKLNOCSA-N 498.117 7.504 50 1 JKGF CCCc1ccc([C@@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962922370 CPHJTWGOLQJAJC-VRKGNZAUSA-N 465.977 5.607 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963107856 SZMJKGJHLNJXLH-SFLYRZDNSA-N 459.403 5.468 50 1 JKGF CCC[C@@H](SSC[C@@H](NC(C)=O)C(=O)O)c1cc(C)ccc1/C=C/CCCC(=O)O 1857628924 IZPIIKDCVJWAGQ-WOPDUGCTSA-N 453.626 5.075 50 1 JKGF CCC[C@@H](SSC[C@H](NC(C)=O)C(=O)O)c1cc(C)ccc1C=CCCCC(=O)O 2356334534 IZPIIKDCVJWAGQ-VQTJNVASSA-N 453.626 5.075 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1ccc(Cl)c(Cl)c1 84618527 AUXVKJNKJDOPAO-ZMFRSBBQSA-N 469.397 5.786 50 1 JKGF OC1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 138844130 KPXLROLJYVDSAM-UHFFFAOYSA-N 483.649 5.007 50 1 JKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2NC(C)=C(CCCl)C(=O)N2CC3)c1 587359236 WJTBTWROUULPKT-AREMUKBSSA-N 473.960 5.546 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)CC2=O 587493750 HPKYSBRCMHYYBL-QHCPKHFHSA-N 450.000 5.168 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497372 CEFAQQDKGCSTPD-ASSNKEHSSA-N 464.197 5.972 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686092 SLIYFGSNHMRLGF-ZUOKHONESA-N 460.218 5.496 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587688222 JTRPJHULXMLFKA-DMDKVIGKSA-N 479.777 5.698 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)F)c2)N1 587712416 ALTHOQBANJJWJZ-MGNBDDOMSA-N 479.134 5.362 50 1 JKGF Cn1c(-c2ccccc2)c([C@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)c2ccccc21 961614906 OALJSHPKFABGRT-HHHXNRCGSA-N 491.860 6.769 50 1 JKGF CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962668838 PWBIOBBALCCUAI-WNCULLNHSA-N 462.666 5.807 50 1 JKGF O=C(Nc1cccnc1Cl)c1cc(N(CCc2ccccc2)C(=O)CCl)cc(C(F)(F)F)c1 1857769077 JIQACNRUWHAPAI-UHFFFAOYSA-N 496.316 5.821 50 1 JKGF C=C[C@](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 2356582603 PGUZRCYRDRXYDE-NSEAQUCWSA-N 456.667 6.800 50 1 JKGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccco1 101622285 ZOODMYWVZVZFRV-HSBRJCCXSA-N 483.977 5.879 50 1 JKGF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@](=O)[C@@H](Cl)c1ccccc1 118930374 MRCDCNKAWBERBK-DEBCHKBPSA-N 457.035 5.528 50 1 JKGF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587152019 WRKKYKJMBVHCAM-IBGZPJMESA-N 462.390 7.667 50 1 JKGF O=C(CCl)NCc1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587498946 RBMQCPBFMRKMRW-MUUNZHRXSA-N 475.972 5.035 50 1 JKGF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Br)cc3)c(CCl)[nH]c2c1 587625086 AWPDEOHQGPBSCO-UHFFFAOYSA-N 456.611 7.374 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587687069 YQNLXNXPJRNBCO-FPTDNZKUSA-N 464.762 5.529 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587705008 KJEGSVCVFFSJFN-YMBBQFJWSA-N 482.674 5.244 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356449455 MRSCOQQAXLCERG-HFSBEXJSSA-N 470.738 7.353 50 1 JKGF CC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@@H]21 2356648946 UWOQPCLHJDMFFV-RMDSEJHCSA-N 487.478 7.509 50 1 JKGF CO/C(O)=C1\C(C)=NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1 104104358 LCRXJONGJDFZDP-UPYRHHCYSA-N 468.644 5.976 50 1 JKGF O=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 139502103 ZIRNEAQTJOCKQH-UHFFFAOYSA-O 466.541 5.107 50 1 JKGF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586940812 GQXKOQGETXUTDH-CMDGGOBGSA-N 453.458 5.619 50 1 JKGF CCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586974764 ZFQANYAJTRDOLE-LBPRGKRZSA-N 452.190 6.161 50 1 JKGF Cn1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587538788 RTZUXBMDZYGQIK-QPPBQGQZSA-N 464.315 5.136 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 587541877 DQBMERHAFJUEHF-VAVYLYDRSA-N 481.935 6.636 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 587726475 IUXLGBOTXZDZFV-XAILHKCVSA-N 493.617 6.136 50 1 JKGF C=C[C@@]1(OC(=O)Nc2cc(Cl)ccc2Cl)CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621431825 PDXMJJORBVQGFX-MVRHRBJKSA-N 494.415 6.868 50 1 JKGF FC(F)(F)c1ccccc1[C@@]1(CCCCCCl)NCCc2c(Cl)cc(Cl)cc21 963102394 CURNADWYMLZYSE-HXUWFJFHSA-N 450.759 7.201 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)[C@]1(C)O[C@@H]1CC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356475120 PWIUYVBRAXUOPC-NFKBJNHLSA-N 490.725 5.823 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356780298 SAHIKVQGOJYFEX-HFSBEXJSSA-N 470.738 7.353 50 1 JKGF COc1ccc(C=NNC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)cc1OCc1ccccc1 263590567 XIGYUITYNCZKRF-UHFFFAOYSA-N 454.530 5.045 50 3 JKGF N#Cc1ccc(C(F)(F)F)cc1/N=N\N(C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1C#N 27997329 ZYTQHCSQJBCNPW-KARKAFJISA-N 487.363 6.813 50 1 JKGF O=C(N/N=C/c1ccc(Br)cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1 40862106 YLNOWQFJAXOVRW-QXBNKWALSA-N 471.358 5.326 50 1 JKGF CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@@]31OO2 101499082 LZEZMYBERCJAAF-LNGVZXIYSA-N 467.562 5.967 50 1 JKGF C[C@H](CCC(F)(F)C(C)(C)O)[C@@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]12C 195518150 ZFWQCKSSHUJFRW-USNQMNRHSA-N 468.625 6.124 50 1 JKGF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586982986 SUTLNDDPZOCWHT-AWEZNQCLSA-N 483.344 8.355 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036681 JLPJNUFNUARJGO-ZDUSSCGKSA-N 477.343 7.423 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054305 DZVRYIGJWMPQAS-SXGWCWSVSA-N 475.343 5.317 50 1 JKGF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)n2)cc1 587114076 YTOTVZJRPBKAQU-UHFFFAOYSA-N 470.349 5.941 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 587383644 UKYYYPUZDGDTAA-DEOSSOPVSA-N 460.908 5.686 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O 587412390 BNILPPFULRBXRA-BUXKBTBVSA-N 458.135 5.048 50 1 JKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497299 ITHMIXDSNSIQON-WUFINQPMSA-N 462.973 6.423 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 587672932 IYQGHNGBNPAGJK-IQMFZBJNSA-N 489.226 6.309 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587687723 HJVOTDGYVQAZAB-XMHCIUCPSA-N 465.794 5.664 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1c[nH]c2ccccc12 961754071 ZUDWXXZJARIUHM-SANMLTNESA-N 451.998 5.802 50 1 JKGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CCl)(c2cc(Cl)sc2Cl)N1 962633960 JOZQVWRSAVQPNO-RFAUZJTJSA-N 460.688 5.035 50 1 JKGF Fc1c([C@@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)ccnc1Cl 962952865 JVCXYLUKNOJDBK-IBGZPJMESA-N 493.726 5.183 50 1 JKGF O=C(O)COc1c(Cl)cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1Cl 1857605487 YAVQUDLJBFFUNA-UHFFFAOYSA-N 483.388 5.942 50 1 JKGF C=C(C)[C@@H](Cl)CCC(=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356642968 AQCCYRBRVYHDDZ-RPLLCQBOSA-N 459.026 7.346 50 1 JKGF CCO/C(O)=C1\C(CSc2ccc(OC)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802490 INSOHVGJKVCNCT-VNRABVQOSA-N 488.531 6.648 50 1 JKGF Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 45321687 GHWZWISHABGHCN-RPBOFIJWSA-N 480.347 6.029 50 1 JKGF COc1cc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3=O)ccc1OCc1ccccc1 49762548 XSVXUFGDXAZWEI-UHFFFAOYSA-N 454.434 5.134 50 1 JKGF CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC[C@H](CO)CN12)(c1ccccc1)c1ccccc1 195242205 BBQDINFGZWRDGU-QUULSXEQSA-N 491.792 5.359 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(OC(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055703 MEFGBKXKWZREBW-WQRHYEAKSA-N 465.384 7.129 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 587324012 VLPDPEVXCRKTIS-UNMCSNQZSA-N 461.714 5.834 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325752 HAJYJPTZMBIORW-YIOXSFGVSA-N 471.956 5.650 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1Br)([C@H](C)Br)CC2=O 587455589 DLOPARAEGIABNO-FKIZINRSSA-N 468.185 5.751 50 1 JKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587673169 LAAYPTVRMHYDPD-ASSNKEHSSA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587681803 AWDCROZMNBQDMB-YEBMWUKDSA-N 470.769 5.698 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587685193 OCKGTBHCHJEDIX-OYLFLEFRSA-N 487.800 5.857 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2sccc2Br)N1 587845035 QGQHFYGPTIQHEB-AYVTZFPOSA-N 453.602 5.429 50 1 JKGF CSc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587846230 PJCNNAASCNYNKG-PRWKNARSSA-N 471.823 5.285 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 963240654 KZLOIIKCJSNLMH-GDJIYFAZSA-N 465.037 6.004 50 1 JKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 138147994 YCWNSSLCHYTWSQ-RTJJYHEMSA-N 478.557 5.045 50 1 JKGF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587000903 OCFOCWFZVHGAKC-ZDUSSCGKSA-N 481.288 6.707 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056962 SMKRBYDALRYWQK-SFQUDFHCSA-N 464.400 7.034 50 1 JKGF Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1CC(=O)O 587250324 RRBDOZDVLAFKSS-UHFFFAOYSA-N 472.233 5.859 50 1 JKGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325248 DAWATAVEFQNBDZ-OFVILXPXSA-N 471.912 5.146 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(SC(F)(F)F)c1)[C@@H](C2)C3=O 587423846 VRGGUFMDAAYBDZ-KBXCAEBGSA-N 459.283 5.345 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 587496635 JFXIMBDNFFFHDM-BIFSNJIPSA-N 464.400 5.110 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(CC)c1C 587544527 OAGPZDPHJMAOHU-NVQXNPDNSA-N 483.948 5.103 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1 587551224 YORUWIKFBSQVJV-GHTZIAJQSA-N 479.248 5.663 50 1 JKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)s1 28827013 LBPVERPKZZCMIU-UHFFFAOYSA-N 496.961 5.334 50 1 JKGF CCCCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586974106 QPALGDPGMSUMSY-AWEZNQCLSA-N 480.244 6.941 50 1 JKGF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586983677 BASGXIHUNAAJLF-INIZCTEOSA-N 484.288 6.403 50 1 JKGF C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319072 ABCSVBNBIVLIHI-UNUGCHJBSA-N 499.420 6.629 50 1 JKGF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCCl 587541312 AUAFSBFTZHROOE-RCZVLFRGSA-N 454.906 5.286 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546210 UYFJEKBBASSCRO-HOFKKMOUSA-N 456.881 5.677 50 1 JKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587683182 FTADQXFHSXAAKB-WIUDPPPLSA-N 451.767 5.403 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587712649 PYQJMLIDEWWSCR-LIBAHTEVSA-N 495.152 6.168 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)s2)N1 587848649 OZDNUVKVYFOMFB-VXJOIVPMSA-N 498.053 5.585 50 1 JKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1C 587924182 KJCZPDUCECNKJN-UCQKPKSFSA-N 486.710 7.832 50 1 JKGF O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12 49037142 XUEFKKBWGQRORP-JVWAILMASA-N 474.358 5.625 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933839 QJORCDPWIHAPTP-HURDLCFYSA-N 470.613 6.091 50 1 JKGF O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299825962 MJWVKUZVGXTRJO-UHFFFAOYSA-N 483.656 5.680 50 1 JKGF Nc1c(F)c(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F 587137095 SPGQGMLFYNNQAN-UHFFFAOYSA-N 468.167 6.649 50 1 JKGF O=C1CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 587322001 LAHJEDHMYJEHDW-UKILVPOCSA-N 496.332 5.065 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587322173 GIROHUULCBVGGU-SIKLNZKXSA-N 451.708 6.243 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587330040 ZYFZUERKYDKQNU-VPUSJEBWSA-N 479.935 6.084 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587509904 YERFPVKECFBGLS-XDBZFTIUSA-N 499.985 7.062 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(CCCl)CCCl)cc1 587544703 OVPUJGZQUUNLIT-URXFXBBRSA-N 458.341 5.379 50 1 JKGF CSc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1NC(C)=O 587612951 LOVXFQVIYJEVQK-URXFXBBRSA-N 469.946 5.168 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2(c3ccccc3)CC2)N1 587672851 IMVUGHHGOFTGOK-XCLFUZPHSA-N 453.193 5.444 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587688968 OMGFKIIFVQGQOU-LIAVLPADSA-N 487.800 5.612 50 1 JKGF COCCCn1c(C)cc([C@@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)c1C 961618192 YCFBRGLCMRTBBN-JOCHJYFZSA-N 451.836 5.065 50 1 JKGF C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356518589 VSAWFCPZOWGXLL-QEMZJVQQSA-N 490.760 7.402 50 1 JKGF C=C(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OC(C)=O)CC[C@]12C)OO3 2356799736 UUEPVSUUMBOSHU-XPAOSHGUSA-N 468.678 6.965 50 1 JKGF CCCCCCCCCCCCCC(=O)Nc1ccc([C@@H](Br)P(=O)(O)O)cc1 72105303 YYBRWSJBBCQSST-NRFANRHFSA-N 476.392 6.897 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC(F)(F)CC2)[C@H]1c1ccc(F)cc1 587331419 JLPHCHRAWVWNAJ-SIKLNZKXSA-N 469.297 5.849 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1Cl 587333167 MHVHGGVMDNRTMV-FYYLOGMGSA-N 493.731 6.282 50 1 JKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338597 XRCOOJCVDQKQAO-NGXBIBBESA-N 477.276 5.847 50 1 JKGF COc1cccc(-c2c(CCBr)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 587361634 XELXZALHWBCFPZ-UHFFFAOYSA-N 492.800 7.914 50 1 JKGF O=C1C[C@](CBr)(c2cccc(OC(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587505725 MKYRMCVNPCKYSM-FQEVSTJZSA-N 473.260 5.859 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587673163 KYXSAZQBNRKQFM-SPLOXXLWSA-N 485.235 5.940 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683120 FMKHNJMQPREEIP-MYYSRTQBSA-N 487.800 5.592 50 1 JKGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCCCCCCC(=O)NN 587858349 FZGKBCAGXGWYBJ-UHFFFAOYSA-N 483.440 5.787 50 1 JKGF CSc1ccc(-n2c(C)cc([C@@]3(CCl)NCCc4cc(-c5ccccc5)ccc43)c2C)cc1 962667899 WTGYRKFJDDFAPC-LJAQVGFWSA-N 473.085 7.111 50 1 JKGF Cc1c([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c2ccccc2n1C 962917907 HGTAGDXJPOAULU-WNCULLNHSA-N 476.960 5.066 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1ccc(Br)c(F)c1 963279884 KOTMLKFSCSIUGG-QGZVFWFLSA-N 492.024 5.477 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)c1ccccc1NC(=O)C(C)(C)CCl 963604955 GEGAFVRIKMSCAZ-ADXZGYQBSA-N 493.047 5.733 50 1 JKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1ccccc1)C[C@@H]2c1ccccc1 1857639953 LALCWFQBSZDAOK-JSOSNVBQSA-N 485.567 7.015 50 1 JKGF C[C@@H]1[C@H]2CC[C@@H]3C4=C5CCC[C@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356507086 WMQCTQIEIFEXIR-FNVRFBRNSA-N 459.725 5.156 50 1 JKGF CC1(C)CC(=C[C@H]2[C@@H]3[C@@](C)(O)CC[C@@H](Br)[C@@]3(C)C[C@H]2O)CC[C@@H]1Br 2356551036 YBUXHLOZPRIUQN-HHVHBONLSA-N 464.282 5.198 50 1 JKGF C=C[C@@](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3)(OO)C(C)C 2356732287 KTUQYPNOLWLYHP-IPLQJSLSSA-N 474.682 6.476 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1Cl 13675463 GOWNIRTVZHTGTN-QFIPXVFZSA-N 483.399 5.896 50 1 JKGF CCCCC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 27990295 HGEAFZCTSYJOIK-NVQSTNCTSA-N 467.373 6.690 50 1 JKGF S=C(/N=c1/[nH]c2ccccc2s1)SSC(=S)/N=c1/[nH]c2ccccc2s1 33487799 MKEDWEIDLCVJCX-UHFFFAOYSA-N 450.686 5.225 50 1 JKGF O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53293407 GLUCKWKLAVSGBT-FGZHOGPDSA-N 460.946 5.095 50 1 JKGF O=C(N/N=C/C(F)(F)F)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 197970526 YBNGIEVHVBDCIT-KBWSQYJZSA-N 467.476 5.557 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056884 SJACDICEUDTKPU-AUWJEWJLSA-N 469.303 6.179 50 1 JKGF Cc1cc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1[N+](=O)[O-] 587057874 XMCUAESXNLGQSY-SXGWCWSVSA-N 466.328 6.558 50 1 JKGF Oc1c(F)cc(F)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587134966 YJBJORMYMJZGAL-UHFFFAOYSA-N 451.161 6.634 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537640 JJRFPEOLSNBJJA-VCHGGQOGSA-N 459.723 5.686 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541693 DCDMGQIPBSNXJK-DFIYOIEZSA-N 475.969 5.271 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671549 TXAVUPYHYFXYFU-VMKIBOBSSA-N 475.627 6.193 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587686618 WBHFVYNFSORQRM-JLCFBVMHSA-N 460.778 5.473 50 1 JKGF Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl 587687471 GVLFSWOCGAKSHW-DMZKTXOQSA-N 487.240 5.952 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587687977 JFVLNYDNGBQZSK-LMKMVOKYSA-N 489.860 6.629 50 1 JKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccccc3Cl)O2)cc1O 1772605561 OFDDAKXLNISDHD-MHZLTWQESA-N 493.943 5.679 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCCC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911570645 QBDZNAOQIOKONC-UFFCIGOUSA-N 471.638 5.397 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356480650 LHIOARNVSADKCD-LBEKWILNSA-N 474.726 6.852 50 1 JKGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)N(C)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 13823182 IAHDJDYXXOYJJQ-XSJBNIOMSA-N 488.531 5.157 50 1 JKGF C=C(C)[C@@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 14612377 MUVCLXZNRJJIGV-NQFOYHLYSA-N 497.415 5.053 50 1 JKGF in-vitro CC(C)[C@@H]1CC=C[C@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr 49762109 MLLBLQBCKASCLO-XQIDNCIUSA-N 462.266 5.120 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 587324965 VXKBFBXJOKEAPR-FYYLOGMGSA-N 475.741 5.873 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)O2 587372331 KJZGIBDIMVQLCM-HHHXNRCGSA-N 460.961 5.270 50 1 JKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587418210 SSCMDOWLMJHDGD-AOLGGSBGSA-N 457.957 6.362 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1Br 587541384 UDTLIKUPEPMNSG-REWPJTCUSA-N 473.750 5.867 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1 587547426 LKTRLIDDMTWVSC-GHTZIAJQSA-N 479.248 5.663 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587670955 MYSDALQEKMJDEU-CRTZDJKQSA-N 457.181 5.158 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Br)N1 587847825 YQEXPTRFGKHURK-AYVTZFPOSA-N 498.053 5.585 50 1 JKGF Cc1cc([C@@]2(CCCCCl)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)ccc1F 961777961 PEJXJHYJFCWGPE-NDEPHWFRSA-N 487.059 6.938 50 1 JKGF Fc1cccc2c1ccn2CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857537077 CQSIRJOTVLFBSM-UHFFFAOYSA-N 466.560 6.945 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc3c(cnn3C)c2)cc(C(F)(F)F)c1 1857768065 YNNMNCUSLJROTD-UHFFFAOYSA-N 480.918 5.462 50 1 JKGF CC(=O)O[C@@H]1C(C)=C2CC[C@](C)(Cl)[C@H](Br)C[C@]2(C)[C@H](C)[C@@H]1Br 2356503541 LCWJRZIFKUXWLD-YWJRTMSXSA-N 456.646 5.599 50 1 JKGF C=C1[C@@H](C)[C@H]2[C@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(C)C[C@H]1OO 2356510835 NOPDNDHQMGCGJR-HCXJQBLISA-N 474.726 6.464 50 1 JKGF COc1ccc(NNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2Cc2cc(C)ccc2-3)cc1 35075488 OPQMMDVWZISTQB-UHFFFAOYSA-N 479.367 5.824 50 1 JKGF Cc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84723179 QAUVEPFNEIDDJI-VWLOTQADSA-N 498.030 6.268 50 1 JKGF O=C(O)c1ccccc1/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586881657 YBDBAHOGEFEEHG-WAYWQWQTSA-N 469.229 6.851 50 1 JKGF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586906368 BXXRINVYNNETJO-QMMMGPOBSA-N 471.245 6.564 50 1 JKGF COC(C)(C)[C@H](Br)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586971466 SHZUUZQSDWWZQH-MRXNPFEDSA-N 470.289 5.695 50 1 JKGF COc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Br 586977072 MZKKOVMNSLGWHK-XVNBXDOJSA-N 455.246 7.162 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 587329571 DXLKAHVTRKJZLR-GMAHTHKFSA-N 493.731 6.316 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1C(F)(F)F)([C@H](C)Br)CC2=O 587463650 ZGLBEKAGQCOWNC-YUNKPMOVSA-N 457.286 6.008 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1csc2ccccc12 587619339 RWGDGGNJRJYXSH-OFNKIYASSA-N 467.340 5.859 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br 587678053 MVLAEAMIWIEGPN-BLVKFPJESA-N 475.627 5.984 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587688561 MIJZEIMMJHZBPY-HCOMASKESA-N 472.829 6.963 50 1 JKGF N#C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)NCCc2cccc(-c3ccccc3)c21 962666616 KMBYLGOPKWHJCR-JYFHCDHNSA-N 464.396 5.043 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(Br)cc(-c3ccc(Cl)s3)c1)(C(C)C)C(C#N)=C(N)O2 1772648706 LVQMWDVXXFAPHJ-OAQYLSRUSA-N 489.826 5.891 50 1 JKGF Cc1cccc2c(CCC(=O)O)c(SSc3[nH]c4c(C)cccc4c3CCC(=O)O)[nH]c12 13832601 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C=C(CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C 2356512022 LUYUXYHXWBFSNU-QXVPLYSESA-N 458.727 7.803 50 1 JKGF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356645523 TZWRPXXRQJDCPG-ZEYPRKRQSA-N 488.917 9.964 50 1 JKGF CC[C@@H]1Oc2oc(cc(=O)c2Br)CCCCC#CCC=CCC=CC[C@@H]1Br 2356668555 UGBPUPWKCCXBOM-ICSRJNTNSA-N 498.255 6.336 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CCC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101858646 DYFZAKQEEPCNLZ-VVWFNHJNSA-N 497.676 5.498 50 1 JKGF COc1cccc(OC)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324487 ZRIGNOMVHIDJNH-QPPBQGQZSA-N 487.321 5.198 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)O2 587374323 WIPMTBZFTFEBJW-SANMLTNESA-N 466.364 5.669 50 1 JKGF O=C1C[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587510703 XNCFUAYAMSJQBQ-FQEVSTJZSA-N 475.251 6.118 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682537 CQIMFUBAICQEGF-GGOJBBCOSA-N 481.837 5.062 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587747337 PVEQJXYSCXQANB-MYRFMUSDSA-N 498.396 5.128 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)s2)N1 587848648 OZDNUVKVYFOMFB-GLEZIHRCSA-N 498.053 5.585 50 1 JKGF C[C@]1([C@@H](Cl)c2ccccc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963411474 AJVMAXSPDANJSB-WCYRKSIYSA-N 458.945 5.515 50 1 JKGF CC1(C)C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(=S)N1c1cccc(C(F)(F)F)c1 1857599873 VAONYVPEKSVKNC-UHFFFAOYSA-N 490.441 7.280 50 1 JKGF COC(=O)c1cccc(C#C[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c1 8860374 KCKPDQZCERZALD-MUUNZHRXSA-N 465.489 5.085 50 1 JKGF CC1=CC[C@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 238757422 GJYZRMAFYKGFKM-ZGBXOIJJSA-N 472.754 7.577 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 587323525 RNTLRQYBHOEJMR-REWPJTCUSA-N 467.294 5.057 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(SC(F)(F)F)c1)CC2=O 587463860 CWOZWPPAGFNOSZ-LJQANCHMSA-N 475.326 6.212 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc2ccccc12 587537316 CTXJRWAWDHMFNM-RCZVLFRGSA-N 461.311 5.797 50 1 JKGF O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545912 SOFTXPBADBCISJ-LSYYVWMOSA-N 485.923 5.475 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587673910 RJEFXNQZWYUIKM-BTDLBPIBSA-N 454.141 5.703 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)NC2(CC2)Cc2ccc(Br)cc21 961750900 QCMFOKKDOJSFLR-FQEVSTJZSA-N 485.647 5.736 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1c[nH]c2ccccc12 961754070 ZUDWXXZJARIUHM-AREMUKBSSA-N 451.998 5.802 50 1 JKGF COc1cccc([C@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962723020 ZRFYTSCBDJYJJM-HFZDXXHNSA-N 462.074 6.631 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 1857649065 XWZROSFSVUFGFM-NRFANRHFSA-N 493.560 5.541 50 1 JKGF COc1ccc(CCNc2nc(SC)nc3c2cnn3C[C@@H](Cl)c2ccccc2)cc1 28862046 JFHHIPMWDZMUBP-HXUWFJFHSA-N 453.999 5.192 50 1 JKGF Cc1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(C)cc4)cc3)cc2)cc1 95547530 IAVXUWCIWAEICM-GOLAWLNDSA-N 452.648 8.604 50 1 JKGF CCCCCc1ccc(-c2cn([C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 102075140 NORKLWJELHZFRV-DSOCCWNGSA-N 481.637 6.058 50 1 JKGF CCCCSSN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103214168 WWDIGIRFZWFSLK-UHFFFAOYSA-N 472.720 7.260 50 1 JKGF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587169030 QTPULXKXMSPERO-MRVPVSSYSA-N 461.225 7.262 50 1 JKGF COc1cc2c3c(c1)O[C@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O 587423798 WCXDPBQDWWTLHT-RIEVBORMSA-N 474.384 5.002 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587538458 PHUJRUDMNRABQT-CGOGNOBXSA-N 485.330 5.050 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546204 UWAAPWQHHMBDMT-LGHJZYJXSA-N 479.960 5.861 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 587715425 HQIREFYJDNNCOR-HUTHGQBESA-N 465.563 5.553 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@H](C)C2 962629578 PGUKNKWUHYGJKC-QRQCRPRQSA-N 457.920 5.741 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]2(CBr)c1c(F)ccc(Br)c1Cl 963009223 KUZLKGYKNHKMKB-INIZCTEOSA-N 467.629 5.704 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cc(F)ccc1F)[C@H](Br)CCCl 963225748 FXECMLSVQJZGLH-UJUVCNOISA-N 456.802 6.257 50 1 JKGF O=C(c1ccc(F)cc1)N(N=C1C(Cl)=C(Cl)C(Cl)=C1Cl)C(=O)c1ccc(F)cc1 1772570930 QALDGGJEBWICTR-UHFFFAOYSA-N 476.093 5.995 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)C1=O 1857655945 NUYBVXHBTBCSIR-OAQYLSRUSA-N 466.553 5.772 50 1 JKGF COc1cc(N)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 43130473 KFSHKLVQXSRDFA-UHFFFAOYSA-N 499.442 5.881 50 1 JKGF CCO[P@@](=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 44405608 CERSBPFQTQSOCX-HKBQPEDESA-N 462.511 5.515 50 1 JKGF C[C@@H](Br)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669792 LTFMGHWBBACKDO-KMAFUCPFSA-N 451.533 7.516 50 1 JKGF COC(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn1 587245856 ZWPCWKVMRHZHPM-UHFFFAOYSA-N 473.221 6.223 50 1 JKGF COCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587327361 PODSFDBROJPKFT-ZCYQVOJMSA-N 457.929 5.089 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(CBr)ccc21 587455551 CQECULKLJHZWHW-AREMUKBSSA-N 477.354 5.693 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OCC)cc3)c1C)CC2=O 587461790 SXZUOKNSUXUFPW-HHHXNRCGSA-N 467.993 6.250 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587546621 WZFVMEKZUUYZLB-RPLLCQBOSA-N 494.374 6.549 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3o2)N1 587672848 IMRWXNZATSXQQM-WYRIXSBYSA-N 453.149 5.507 50 1 JKGF COc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587673342 MBXQKTQIEOIMQK-ZUOKHONESA-N 471.208 5.386 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587685223 OOGVXGJQLPDHFK-LFVRLGFBSA-N 494.788 5.537 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2sccc2Br)N1 587844417 NSVFEMMWNXIQJW-VXJOIVPMSA-N 453.602 5.429 50 1 JKGF O=C(c1ccccc1)c1nc2nc(CCCCCBr)[nH]c(O)c-2c1-c1ccccc1 653700266 INNJEHOHAFPBAJ-UHFFFAOYSA-N 464.363 5.621 50 1 JKGF CC(C)(C)[C@]1(/C(C#N)=C/c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963190889 GGKXBAMVKBJTIX-QDHJRCLUSA-N 475.592 6.387 50 1 JKGF CC(C=C[C@H](Cl)[C@@](C)(Cl)CBr)=CC=NOCc1c(F)c(F)c(F)c(F)c1F 2356578308 MLESYUWZFTYAKV-GTNSWQLSSA-N 495.113 6.387 50 1 JKGF O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28640809 AAUMJPPEOZYUMJ-RVDKCFQWSA-N 499.483 6.162 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40684904 NZHILLNCMVMAFP-FBNDGMMSSA-N 492.950 7.293 50 1 JKGF C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]21C 43323492 ZFWQCKSSHUJFRW-KZFFYBQYSA-N 468.625 6.124 50 1 JKGF C[C@H](C(=O)NNC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Oc2ccccc2)c1 84603018 UTCAXTFBKLAKDG-NRFANRHFSA-N 465.553 5.702 50 1 JKGF O=N[C@H](C[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 169691387 PMOLDZYUSXRAKJ-NHCUHLMSSA-N 472.275 5.114 50 1 JKGF Oc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 299868145 QZGNMSFUFGRNIV-OAQYLSRUSA-N 466.010 6.290 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320883 HLRPXHJFGBLHBX-ZDXQCDESSA-N 489.768 6.613 50 1 JKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373903 UHDDWFWILVORBS-XZOQPEGZSA-N 483.823 5.734 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(F)cc3)c1C)CC2=O 587469393 ZDTLTWYFQLZSGM-MHZLTWQESA-N 469.984 6.244 50 1 JKGF N#CSC[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612315 JEANVWNOVMISKB-UZLBHIALSA-N 474.357 5.288 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683845 IGFRTHIPISIUCW-OWJWWREXSA-N 487.800 5.592 50 1 JKGF Nc1cc(S(F)(F)(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O 587895368 PGKLYHQCPVQOIA-UHFFFAOYSA-N 475.266 5.649 50 1 JKGF COc1cccc([C@@H](C)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587933224 ZSWWEYMXRLQGEZ-JTQLQIEISA-N 471.289 7.338 50 1 JKGF N#Cc1cccc([C@@]2(CCCCCCCl)NC3(CC3)Cc3ccc(Br)cc32)c1 961750066 NWDHECXCQVGYCY-XMMPIXPASA-N 457.843 6.432 50 1 JKGF ClC[C@]1(c2ccc(I)cc2)c2ccsc2CCN1Cc1ccco1 962711583 UBHWKKXHWQOTSV-IBGZPJMESA-N 469.775 5.486 50 1 JKGF C[C@@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)c2ccsc2CCN1Cc1ccco1 962714339 ZEIYYRKFYFFSRI-NSYGIPOTSA-N 457.039 6.255 50 1 JKGF Cc1cc2c(cc1O)[C@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)N[C@H](C(=O)O)C2 963489832 HZRUZHBXGRUJGO-URXFXBBRSA-N 492.925 5.208 50 1 JKGF O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1cc2c(cn1)[nH]c1ccccc12 1857629913 RPIARPLRSROTSY-IPPBACCNSA-N 454.917 5.712 50 1 JKGF COc1cc2c(cc1C(=O)Nc1ccc(Br)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857773746 JCRWXWYHKJLKND-BKMJKUGQSA-N 493.401 5.589 50 1 JKGF C/C(=N/NC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 49803515 VSKJUSKFFZYFFF-KYHGBAKBSA-N 473.939 6.457 50 1 JKGF O=S(=O)(c1ncccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1)C(F)(F)F 587127225 PTIIEXNENUQYSR-UHFFFAOYSA-N 453.336 5.576 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)O2 587372333 KJZGIBDIMVQLCM-MHZLTWQESA-N 460.961 5.270 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498490 HRSXZDXXKHDPCR-XRHLQHRESA-N 477.398 7.002 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc2ccccc12 587537315 CTXJRWAWDHMFNM-DHLKQENFSA-N 461.311 5.797 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587542015 FGCYSZKYDVKGJO-LVXARBLLSA-N 465.933 5.473 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587684896 MVBZXGSPZNYTGV-RKNYENMMSA-N 470.769 5.698 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)s2)N1 587850164 XSLANEANZUGLHT-GLEZIHRCSA-N 498.053 5.585 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCc4ccccc4)cc3)(C(F)(F)F)C2)cc1 1772637628 PIYURKKVSBEPEH-SANMLTNESA-N 462.471 5.829 50 1 JKGF O=C(NC1CCCCC1)[C@@H](c1cccnc1)N(C(=O)CCl)c1ccc(Cl)c(Cl)c1 66129635 YNEMZALSULXCTQ-HXUWFJFHSA-N 454.785 5.150 50 1 JKGF C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103195927 OUPIOSZZFYPKBM-VHPBLNRZSA-N 453.988 5.278 50 1 JKGF Cc1ccc(-c2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cs2)o1 587017757 YUZARLPSJJKEIG-UHFFFAOYSA-N 486.285 7.675 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054299 DZVRYIGJWMPQAS-CXUHLZMHSA-N 475.343 5.317 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056717 QQVSSQRDWUIZFI-QPEQYQDCSA-N 477.182 7.043 50 1 JKGF COc1c(F)ccc(F)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587132696 JNFKDEHLNXUCLA-UHFFFAOYSA-N 465.188 6.937 50 1 JKGF Nc1ccc2oc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2c1 587251314 CEGBRTODWLYLRM-UHFFFAOYSA-N 454.218 6.978 50 1 JKGF O=C1c2ccc(O)cc2O[C@](C2CC2)([C@@H](Br)c2ccccc2F)[C@@H]1c1ccc(F)cc1 587337735 VPXRRJWXMVKVCQ-VJTSUQJLSA-N 485.324 6.314 50 1 JKGF C[C@@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496355 CMEGGSWGYXRGLO-HYDGNGQDSA-N 485.967 5.585 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)ccc1C(F)(F)F 587892197 BIECZDZEIWJATH-UHFFFAOYSA-N 479.123 5.618 50 1 JKGF O=C1c2ccccc2[C@]2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2ccc(CCl)cc21 962707140 KIKBGUWQVVKKQX-URXFXBBRSA-N 489.852 5.019 50 1 JKGF CSc1cc([C@@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)ccc1NC(C)=O 963194010 MULBLRNBGZNDOP-VPUSJEBWSA-N 476.045 5.972 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC[C@]23O[C@]24C=C[C@@]25C[C@H](O)CC[C@@]2(C)[C@@]4(CC[C@@]13C)OO5 2356369647 SQDFUUPQLYKOLN-ULZVSVOKSA-N 456.667 6.139 50 1 JKGF CC(C)=CC=CC(C)=CC=CC(C)=C[C@@H]1C[C@]2([C@H](O)O1)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356535658 GRUFCNNJWIBQMG-HRLYRCPASA-N 484.677 5.500 50 1 JKGF Cc1ccc(C2OOC(c3ccc(CNc4cc(Cl)c(Cl)cc4Cl)cc3)OO2)cc1 72175460 PJCCCBQXBCFUCT-UHFFFAOYSA-N 466.748 7.175 50 1 JKGF N#Cc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587323512 RGVCSMOXVJWPGI-GMAHTHKFSA-N 452.279 5.052 50 1 JKGF O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 587499726 UXXDOKSDQOJUCC-XNMGPUDCSA-N 490.943 5.580 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl 587537543 HMGINJPSUGQDGH-DENIHFKCSA-N 459.723 5.606 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1 587551227 YORUWIKFBSQVJV-WIYYLYMNSA-N 479.248 5.663 50 1 JKGF C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556947 LCVFLGVZUNDRPI-TXTKFYIRSA-N 475.285 5.397 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccn2)s1 587612250 IZRDLKPIOFIEKP-XUZZJYLKSA-N 494.366 5.768 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCCBr)N1 587674318 WABMRLIFGGTWJY-HXPMCKFVSA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 587722650 ZJVFXEFITRODPB-CQLKUDPESA-N 467.098 5.178 50 1 JKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962928337 XRGODZBIZLPVQS-GDLZYMKVSA-N 488.031 5.564 50 1 JKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(CCl)o2)N1C(=O)c1ccc(Cl)cc1 963029100 XZJDHENPMRZTLQ-DENIHFKCSA-N 469.324 5.394 50 1 JKGF Cc1cccc2c1[C@]([C@@H](C)Br)(C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918066 XMWHDZOLTLNHLD-BBEGDGIKSA-N 480.321 5.173 50 1 JKGF CC[C@@H](C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356425536 HGBPMYUZRACDBG-ROZBKNEKSA-N 462.715 6.464 50 1 JKGF CCOC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 84587404 FYUKRDOOHPISDN-ZQHSETAFSA-N 455.318 6.129 50 1 JKGF CCCCC[C@@H](O)[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/CCOCc1ccccc1 195472255 IWQUVUIDHNEBRL-VWBJBFOSSA-N 474.758 6.686 50 1 JKGF C=C(CO)[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(/C)C=O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O 238787815 IOFXIXOKOAYADV-JJXWUHJBSA-N 470.694 6.580 50 1 JKGF COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl 587058497 ZNWVYXWVKFMDMF-NVNXTCNLSA-N 471.775 7.003 50 1 JKGF CC(C)(F)[C@@H](Br)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587086628 FQZWWMDWWGZYBK-HNNXBMFYSA-N 476.243 6.157 50 1 JKGF CC(=O)Nc1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587242499 NHEFGDIFLSTEOP-UHFFFAOYSA-N 470.261 6.532 50 1 JKGF Nc1ncc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cn1 587253680 CPORVTSGAOQIIW-UHFFFAOYSA-N 492.271 6.689 50 1 JKGF CCOc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322020 LCMUWEJYEBKWIP-UPVQGACJSA-N 471.322 5.579 50 1 JKGF CC(C)(c1ccccc1)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323995 VHQYHFLDBVANOV-RCZVLFRGSA-N 469.350 6.002 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 587328601 VFKVOMWQDLJHHA-YTMVLYRLSA-N 489.974 6.491 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1-c1ccc2c(c1)CCC2 962697033 HMHWBBXRYFKRBI-GIGWZHCTSA-N 495.107 6.568 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 2356641263 KMWGWTNMXOQIAG-YCJGAXDKSA-N 466.662 6.224 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)N1c1ccc(Cl)cc1 28702225 MRATWVRXFDCVEG-QQIVJABXSA-N 457.273 6.065 50 1 JKGF COc1ccc(C2=NN(C(=O)CBr)[C@H](c3c(Cl)cccc3Cl)C2)cc1OC 43024013 CHNDCYFDIAHKDZ-HNNXBMFYSA-N 472.166 5.083 50 1 JKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(F)cc1)OO2 64448636 DFANAGSNEHHOOU-DYTPLTOFSA-N 457.545 6.713 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518730 VWDQEBUKNUUKCP-DGIZQVKNSA-N 464.514 5.461 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NN)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299814808 GIEQKFOZGMTVBA-NIPCDODCSA-N 483.741 6.464 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056334 PELGSBDREGVMJT-AUWJEWJLSA-N 476.289 6.755 50 1 JKGF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587247942 YXOPQFUPOFFBRB-UHFFFAOYSA-N 455.452 7.635 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(C=C(CCl)OC=C1OCc1cccc(OC)c1)CC2=O 587460705 OWJNWHGWMMPOHO-RUZDIDTESA-N 456.922 5.268 50 1 JKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl 587545924 SXJRGXAQXDNXJR-OZXSUGGESA-N 485.363 5.835 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 587673678 PCSJXNBVQWHIRL-MLCYQJTMSA-N 477.599 5.639 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685209 OJDSNXGHNDGZIR-RCDICMHDSA-N 467.810 5.589 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727935 QFRBPHKWQNAXNK-ZAMGYDSWSA-N 479.796 6.151 50 1 JKGF O=c1c([C@@H]2NCCc3cccc(-c4ccccc4)c32)coc2c(CCl)cc(Br)cc12 962664407 GMTRXNXBZFHEMW-QHCPKHFHSA-N 480.789 6.196 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356476290 ABQSCSIGRMJZCY-FAPGNOQXSA-N 490.725 5.584 50 1 JKGF CC/C(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)c1cc2ccccc2cc1O 5890954 WVZDLPNODPFGSL-XHLNEMQHSA-N 459.546 5.036 50 1 JKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(CSc2ccccc2)=N1 40447673 PGIUHBSUSWLCIR-JSMIYBGHSA-N 474.504 5.612 50 1 JKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587540058 ZPQVLFONPOXIQY-YKSBVNFPSA-N 465.299 5.699 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 587674595 XXCYZLPPNHHSCO-CWTRNNRKSA-N 475.627 6.195 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 587689756 VSSKTFGHZYIDAM-WHEQGISXSA-N 462.794 5.407 50 1 JKGF CSc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587843186 HMVHWNAVUUJSPU-ADLMAVQZSA-N 459.222 5.483 50 1 JKGF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(CBr)c2ccsc2CCN1C(N)=O 962707692 PYHAEGCIVWPRGZ-LJQANCHMSA-N 482.856 5.409 50 1 JKGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@@]1([C@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857761783 IBELYMKETBKMMO-QXNWPYRLSA-N 479.543 5.324 50 1 JKGF C=C(C(=O)C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Cl)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356406694 DHENOLVIJJTNHM-UWBBMOHNSA-N 479.101 6.096 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NC[C@H](O)CNc1c2c(nc3cc(Cl)ccc13)CCCC2 299867307 QCXDJUMPSGXJCM-ZWKOTPCHSA-N 494.126 5.370 50 1 JKGF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587194749 AODWDPFZPVWSJP-SNVBAGLBSA-N 470.305 7.201 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334742 PTWNFXVCGRLRLW-RMOJWGECSA-N 495.266 5.986 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587416563 BCJIKQNHASINOH-BKMJKUGQSA-N 470.396 5.891 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 587458487 JSKAKTMNCRKWCW-HBIPHATFSA-N 489.955 5.364 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537120 ATVMUADTHMTTJC-HKFAVZMWSA-N 467.359 6.156 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538615 QESLPYPMHGWNQK-RDGATRHJSA-N 482.374 5.490 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544842 PCNTUMQHUVJDOF-NEKDWFFYSA-N 494.971 5.719 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587569339 HREIFYSPIOXSKL-IGKIAQTJSA-N 477.919 6.035 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2O)N1 587672785 HUPYUCSSCIRRAB-XLFHBGCDSA-N 463.572 5.120 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587687817 IMRWOFZOKXNVQD-LIAVLPADSA-N 487.800 5.612 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 587689482 SWARSQXLGWAIJH-CSTKLKAISA-N 481.837 5.978 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]12c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 963191761 HSQCOPDKJQGQCB-QCENPCRXSA-N 488.974 6.025 50 1 JKGF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN(CCCl)CCCl 28462187 UKHLTSNRCNARKE-WAYWQWQTSA-N 484.420 5.050 50 1 JKGF CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@@H]3c1ccccc1 96934493 LNSNEALHJNLODO-MZFMZNHHSA-N 483.948 5.663 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](OO)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 138633211 KXDKZPWSWPNPHQ-WUOXACOKSA-N 458.727 7.493 50 1 JKGF C/C(C=O)=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]([C@@](C)(O)CO)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C 238786105 XDQDTZXKPKVGKT-ACRQQXTQSA-N 488.709 5.775 50 1 JKGF O=S(=O)(Nc1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587169916 FTXIGCTWTOZXHW-UHFFFAOYSA-N 499.483 6.889 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587319439 BGOABNVCOMIOMZ-FYYLOGMGSA-N 491.740 5.843 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587457255 XAUFRLOPNRJIEG-NPMXOYFQSA-N 482.415 5.091 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501210 WSLCYDBOXPIPRH-GDJIYFAZSA-N 491.425 6.789 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539985 ZELVRJIDEHHNEO-YZUZCNPQSA-N 469.331 5.431 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1sccc1Br 587612589 JZYWRZMDPIMXHC-KXBFYZLASA-N 451.725 5.312 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(=O)[C@@H](C)Cl)cc2)([C@@H](C)Cl)N1 587689520 TZJRDAADQXKRBH-STPIAKFDSA-N 489.212 5.526 50 1 JKGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@](CCl)(c2cc(Cl)sc2Cl)N1 962633956 JOZQVWRSAVQPNO-PSLIRLAXSA-N 460.688 5.035 50 1 JKGF Fc1cc(C(F)(F)F)cc([C@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962715103 SMOVAMWZGNMSNN-OXJNMPFZSA-N 492.351 5.986 50 1 JKGF COc1cccc2cc3c(nc12)[C@](CBr)(c1cc(Cl)cc(Br)c1)NCC3 963069472 RXIBRAGDLMOECR-FQEVSTJZSA-N 496.630 5.444 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NCCCCCCCNc1c2c(nc3ccccc13)CCCC2 13607687 UJYFHDXYPAFONC-QFIPXVFZSA-N 499.790 7.306 50 1 JKGF C=C(C)[C@@H](O)CC/C(C)=C/C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 14612379 MUVCLXZNRJJIGV-PGIUVHQISA-N 497.415 5.053 50 1 JKGF in-vitro CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 38158736 PYENPPCJTKAHBP-GXGKBSNHSA-N 456.554 5.701 50 1 JKGF CCc1oc2ccccc2c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586904041 PYJWMHVNQAYSID-UHFFFAOYSA-N 467.257 7.958 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587326253 BFGBGDRCCZDDJE-URXFXBBRSA-N 468.267 5.892 50 1 JKGF O=C1C[C@](CBr)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 587505177 LGKGHHUDEIHGAJ-FQEVSTJZSA-N 468.160 5.723 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587722328 SGTWAQBYRIBYJS-BTDLBPIBSA-N 497.124 5.660 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(c1ccc(F)cc1F)[C@@H](C)Cl 963833279 UCABYFODHQTNJZ-JTJQLJSMSA-N 479.951 5.781 50 1 JKGF COC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(OC)c1 1857544606 HEJQEWVCPSKLIX-VGOFMYFVSA-N 459.342 5.392 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(C#N)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055836 NNJFLDGIUSYIFI-SXGWCWSVSA-N 466.759 6.867 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)CC2=O 587456618 SGGGYAHGMYPQRD-WGDIFIGCSA-N 481.386 6.781 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1[C@@H](C)c1ccccc1 587546894 YTCHSGDAWFJXBI-SGLFEJPPSA-N 487.983 6.516 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587685197 ODMONFFENCLMRC-YPMLDQLKSA-N 451.594 6.302 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 587859678 YFHBRILBWRCGHB-POEZALAKSA-N 464.791 5.474 50 1 JKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccccc1OCC(F)(F)F)N(C)[C@@H](C)C2 962576272 WSAUGGCYDNMKKI-LHSJRXKWSA-N 488.344 5.160 50 1 JKGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCCCl)(c2cccc(C(F)(F)F)c2)N1 962630163 JOLUYQKOMVHLDN-IEBWSBKVSA-N 481.820 5.466 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962722046 YBOSLQCVCNWOJY-XCLFUZPHSA-N 469.516 6.945 50 1 JKGF CC(C)(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 103278972 RDTKIZBTAUABQW-SCSAIBSYSA-N 496.193 5.211 50 1 JKGF C=C(C)[C@H](OO)[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255198115 BEXKXFSUDVVSFA-FXHSUKLQSA-N 460.699 6.218 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323768 TZKAHFPLTBEXMB-LPYGUSEBSA-N 459.355 5.850 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccc(F)cc1 587328897 WIKJYXLHZIJLRE-RSXGOPAZSA-N 465.908 5.151 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1scc(Br)c1Br 963222770 CUCKPDCKWOLOOW-KZULUSFZSA-N 477.693 6.412 50 1 JKGF Cc1cccc2c1[C@@](CBr)(c1ccccc1F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862989 LQYWROIXPQGLAX-MZNJEOGPSA-N 492.385 5.409 50 1 JKGF O=C(N/N=C1\SCC(=O)N1c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2F)n1 1772624368 NTSRGTNEDCQTNM-MXNGAVTRSA-N 495.539 5.303 50 1 JKGF COc1ccc(-c2ccc([C@@]3(C(F)(F)F)CC(c4ccc(C)cc4)=C(C#N)C(=O)N3)cc2)cc1 1772629213 QYBDWYUBHNPWBQ-AREMUKBSSA-N 462.471 5.926 50 1 JKGF BrCCCCCCCCCCOCc1c(-c2ccccc2)nc2sc3ccccc3n12 1857751922 TZCSLSUHWUUWFZ-UHFFFAOYSA-N 499.518 8.248 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(NCCN(C)C)nc(Nc2ccc(C#N)cc2)n1 1857757071 YHMDEFKWDBLHED-AATRIKPKSA-N 453.550 5.011 50 1 JKGF CCOC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 27979980 FYUKRDOOHPISDN-ZIADKAODSA-N 455.318 6.129 50 1 JKGF CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169339042 HHPMHXYQGAXKTP-BFMKMTCASA-N 463.014 6.222 50 1 JKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C(=O)OCCCBr)cc1OC2(C)C 223585204 KLFIJAPNCYROCE-IAGOWNOFSA-N 451.401 5.609 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586904083 PPXGZNWRXWIYRE-UHFFFAOYSA-N 467.257 7.514 50 1 JKGF COC(=O)c1ccnc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587055829 NIUFWCQZGDEEIE-GDNBJRDFSA-N 466.328 5.523 50 1 JKGF CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 587332692 MEXJWRXEZWYGNF-LADGPHEKSA-N 457.860 5.122 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)CC2=O 587457394 YCZQJBFKHDPWOI-HHHXNRCGSA-N 485.462 6.949 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1F 587542561 AADFSAZXLGSSQV-WIYYLYMNSA-N 497.238 5.802 50 1 JKGF COc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587673341 MBXQKTQIEOIMQK-XCLFUZPHSA-N 471.208 5.386 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587682424 CHEBPRMZQZWPDV-AKJBCIBTSA-N 497.839 6.764 50 1 JKGF FC(F)(F)Oc1cccc([C@]2(CBr)NC3(CC3)Cc3ccc(Br)cc32)c1 961618313 ZRCRLQPQTNZWFR-SFHVURJKSA-N 491.145 5.665 50 1 JKGF CS/C(Nc1ccccc1Cl)=C(/C#N)[C@@]1(C(C)(C)C)c2ccsc2CCN1Cc1ccco1 962703546 CJFTUKBITLQGKU-DKTMBNMKSA-N 498.117 7.504 50 1 JKGF Cc1cccc2c1[C@@](C1CC1)([C@@H](C)Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842223 WAEHKQBOIJWFDC-SRVWHDFXSA-N 452.389 5.020 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857638010 XBEHIZJWYGCCRD-RRXFZIEKSA-N 496.570 5.035 50 1 JKGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](C)CC[C@@H]1[C@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C 2356500805 CBRNIVWTBUBBKT-DIRTXUNBSA-N 474.638 5.411 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccn2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40685214 YFSZDUYBEKYLLN-VSRNGQBXSA-N 459.493 6.035 50 1 JKGF N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 96933488 ZIXKJYABEQAWKV-RPBOFIJWSA-N 491.938 5.564 50 1 JKGF C[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)c1ccc(C(F)(F)F)cc1 103041711 OIQGKZALYSLNLA-AJFMIQJDSA-N 456.501 5.991 50 1 JKGF COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@H](Cl)CCCCCCCl 473085007 VFUSKSIAISUKGN-AKFQOFNLSA-N 466.490 5.716 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586974268 UKZGGMMDQIVOJK-SECBINFHSA-N 462.107 6.391 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586974482 XBHQUGIHFPBGIU-VIFPVBQESA-N 462.107 6.391 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057200 UMXLJRRBVKHDFZ-ZROIWOOFSA-N 487.188 6.499 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587321027 BZQCJSNZDSTUDP-CZCSPBSHSA-N 493.918 6.118 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)CC2=O 587464326 OEMXITJCLQGJJV-QHCPKHFHSA-N 493.572 6.685 50 1 JKGF O=C1C[C@@](CBr)(c2ccccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 587505505 LLKCMWGMPCXUJY-HXUWFJFHSA-N 455.270 5.720 50 1 JKGF Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Cl 587558672 SUCDJSFWMVXVKS-UGKGYDQZSA-N 477.713 5.745 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587686972 FBGZLSGMRMFHEY-BHIGOGECSA-N 471.798 5.115 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 587726472 IUXLGBOTXZDZFV-CYKIYJRWSA-N 493.617 6.136 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783756 GVEUBHIBXNDYJQ-MDWZMJQESA-N 452.448 7.970 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962722043 YBOSLQCVCNWOJY-RBZFPXEDSA-N 469.516 6.945 50 1 JKGF C=C1CC[C@@H]2[C@](C)(CCC=C(C)C)[C@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356657683 QCSKWFANIUTEHG-QXCZZBQLSA-N 489.494 7.532 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](OC=O)C(C)(C)[C@H]1CC3=O 2356765527 YIPMXAHKTHCEPU-RDTXCKANSA-N 482.705 7.018 50 1 JKGF COc1ccc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 1660619 YZGQWJZFEFQYRQ-DLBZAZTESA-N 452.135 5.355 50 1 JKGF N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 95602099 GRRMQESGMGKRHY-LJQANCHMSA-N 458.348 6.990 50 1 JKGF C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O[Si](C)(C)C)cc(CCCCC)cc1O[Si](C)(C)C 195811316 FWZOFSHJDAIJQE-RPWUZVMVSA-N 458.835 8.863 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3c(F)cccc3F)nc3cccc1c23 587104443 UMZZMXUGKAFNGL-GOSISDBHSA-N 450.282 6.403 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324364 YBVATBIRHZBVFR-ARNLJNQMSA-N 485.349 5.968 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 587327368 PTSZFIQFNBHOBW-RBBKRZOGSA-N 451.708 6.331 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 587331188 IUPSGCOHZQQIIY-UNMCSNQZSA-N 463.249 5.459 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587539538 WYRVDOYVNIGXKL-QPTLAOIZSA-N 489.749 5.695 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 587673680 PCSJXNBVQWHIRL-YPMLDQLKSA-N 477.599 5.639 50 1 JKGF Cc1onc(-c2c(Cl)cccc2Cl)c1[C@]1(CBr)NCCc2c1sc(C)c2C 963015163 ACFIBTVIXKMWOC-FQEVSTJZSA-N 486.262 6.419 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCCCCCCl)c1cccc([N+](=O)[O-])c1 963046969 NJIXPTBWMGDNQI-VWLOTQADSA-N 453.970 5.730 50 1 JKGF Fc1cccc2ccn(CCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12 1857536430 RJWYNOSFMVGYRZ-UHFFFAOYSA-N 466.560 6.945 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]12C)OO 2356389718 FRZPGQFZKQIUFW-JYGPBVTJSA-N 458.727 7.803 50 1 JKGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=C[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 2356478579 JNXDHAJFIDNOLG-APUIALGASA-N 470.606 5.244 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccn2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802462 POFXSIUSYWVOOB-DUFRQFGPSA-N 475.492 5.050 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N/NC(=O)c3cccnc3)c2c1 45497851 HHSMJHNHTWUIKF-WCMJOSRZSA-N 464.491 6.355 50 1 JKGF CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102773783 GQHJCAZJUPPGEC-RUZDIDTESA-N 474.626 7.243 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082410 NBKYMSJFTMHUFR-UHFFFAOYSA-N 481.877 8.756 50 1 JKGF COc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587320643 GCZRQJQDNQATLG-ILBGXUMGSA-N 485.349 5.806 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O 587422144 NTHHZWRSOMOZQP-RDPSFJRHSA-N 475.894 6.003 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1COc2ccccc2O1 587499126 RXMSUMOKXBDLIT-ONOMSOESSA-N 492.015 5.923 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc2ccccc12 587537318 CTXJRWAWDHMFNM-WIOPSUGQSA-N 461.311 5.797 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587538486 PHUJRUDMNRABQT-WVRMYWEISA-N 485.330 5.050 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587542234 GHWORCZCVSTQTD-LEAFIULHSA-N 473.956 6.204 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CBr)c1OC(F)F 587892318 PPSKHDKENJEXQI-UHFFFAOYSA-N 477.132 5.200 50 1 JKGF C=CCN/C(SCC=C)=C(\C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957861916 RYHAEMOXDPQBGE-VYIQYICTSA-N 452.583 5.251 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356628678 BDSKDSKGSUVYFT-OCBJUFRSSA-N 474.726 6.613 50 1 JKGF COc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 1660616 YZGQWJZFEFQYRQ-SJORKVTESA-N 452.135 5.355 50 1 JKGF CS(=O)(=O)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586927761 XJPKJUKCTJDYJY-UHFFFAOYSA-N 477.274 6.053 50 1 JKGF NNC(=O)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 586970564 MJTXMEUEWUPPIF-UHFFFAOYSA-N 478.621 5.434 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322237 LTDSEOHUJSYAQW-YZCBWUASSA-N 475.741 6.223 50 1 JKGF COc1ccc2[nH]c(C)c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587327301 OTIFVAFXSRUEKW-RSXGOPAZSA-N 465.908 5.823 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 587328115 SYWANUCNHAKVPJ-LITSAYRRSA-N 484.910 6.117 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 587338763 VIKGZOUVTBAJKO-XTEPFMGCSA-N 493.937 6.571 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)cc1 587548425 ULVJEHIGVGLBJE-OFNKIYASSA-N 473.750 6.031 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 587719743 LQHJTLGHMHETMD-BMLIUANNSA-N 497.124 5.660 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@@](CCCCCCCl)(c2ccccc2Cl)N1)C(F)(F)F 962775993 ZRGSXOBYDHDJJJ-UNMCSNQZSA-N 458.351 6.419 50 1 JKGF C[C@](Cl)(C=C[C@H](Br)[C@](C)(Cl)[C@H](Br)CCl)CBr 2356700999 PHKONGFYKSGPSW-JXUBOQSCSA-N 480.293 5.698 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 103558884 KWHXMASXPBOSRE-LGZJLTIXSA-N 458.727 7.641 50 1 JKGF biogenic,in-vitro C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 254079963 VFBYNCPHZPFIJO-WXZRHKHVSA-N 478.541 5.851 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C=O)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 254153307 YDSMZIDWNGKCHC-NNSPOHCASA-N 482.705 6.723 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586983990 BIUVBHCZKJXXSD-QGZVFWFLSA-N 482.316 7.168 50 1 JKGF Cc1ccc2c3c(c(CCBr)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586993290 JCWMPTVXGRKRPD-UHFFFAOYSA-N 462.774 7.012 50 1 JKGF Cc1ccc2c3c(cc([C@H](Br)Cc4ccc(F)c(F)c4F)nc13)-c1ccccc1C2=O 586995525 LWJOVDSNFGZIKS-GOSISDBHSA-N 482.299 6.851 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(Br)c1)CC2=O 587456302 MQNSKTRKTXTQAH-FQEVSTJZSA-N 484.184 5.371 50 1 JKGF COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686804 XNOAJXQEMVEELY-SBKAZYGRSA-N 454.723 5.065 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)s2)N1 587847934 MXWBZJPVARTGON-BMLIUANNSA-N 481.656 6.209 50 1 JKGF O=C(CCl)N(/N=N/c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1C(F)(F)F 1772598507 KYWXERIYLZMYGD-CYYJNZCTSA-N 478.607 7.302 50 1 JKGF CCOC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nn1Cc1ccc(NC(=O)CCl)cc1 1857577628 AGPUVVDNNDVFPC-UHFFFAOYSA-N 489.959 5.745 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(OC)cc2)C1=O 1857773329 UBISHSASSXNLKV-JOCHJYFZSA-N 478.589 5.642 50 1 JKGF CCC[C@H](SSC[C@H](NC(C)=O)C(=O)O)c1cc(C)ccc1C=CCCCC(=O)O 2356334532 IZPIIKDCVJWAGQ-PMACEKPBSA-N 453.626 5.075 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055222 LBBAXRKNFBNSFO-VGOFMYFVSA-N 493.291 7.499 50 1 JKGF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238539 DEOAVVUSKYVTRB-PCMMCCAGSA-N 497.530 6.775 50 1 JKGF Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587321330 IWHNWGQFUWTBDB-ISKFKSNPSA-N 455.323 5.797 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@H]1c1ccc(F)cc1 587371742 CWCPTABDCFHYRT-XCZPVHLTSA-N 467.521 6.568 50 1 JKGF CSc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377154 QRPXLQZBZDLMMS-JTHBVZDNSA-N 473.363 5.903 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)O2 587383545 YGRWRMBKBCCXRJ-KRWDZBQOSA-N 450.201 5.130 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 587671679 ABFSTFNDRRFAOP-XYZCENFISA-N 482.018 6.068 50 1 JKGF CC(C)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672161 DFGUKAATENVCJD-XCLFUZPHSA-N 455.209 5.884 50 1 JKGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587673547 ODGKREYYFYEJHP-XTZNXHDOSA-N 477.599 5.423 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2Br)N1 587674665 YUTUWHZFDJOCRY-BMLIUANNSA-N 492.024 5.523 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587685177 OCKGTBHCHJEDIX-MYYSRTQBSA-N 487.800 5.857 50 1 JKGF CSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccc(Cl)cc3)c2n1 653907632 SZYKMWKWJJORRW-KRWDZBQOSA-N 464.809 6.579 50 1 JKGF CC(=CCC[C@]1(C)[C@H](C)CCC(=C(C)C=O)[C@@H]1CCCO)CCC=C(C)C[C@H](O)[C@@H]1OC1(C)C 2356519949 SZBACOZLVMVKCH-PFUMMRRBSA-N 474.726 6.708 50 1 JKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356653243 HOEKKUSLHOOASY-QBRUDOHGSA-N 487.779 6.080 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Oc2ccccc2)cc1 95808867 XTMWOPDXYTWPNI-VFCFBJKWSA-N 459.546 5.614 50 1 JKGF CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CCOC(=O)N12)(c1ccccc1)c1ccccc1 195210709 OVQYTQFPSOWJQA-CWHUZLPRSA-N 477.721 5.497 50 1 JKGF C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1n1ccc(=O)[nH]c1=O 195475187 ZUYKHQFLMLDXJZ-QIJZPMMNSA-N 496.797 5.039 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 263637169 KWHXMASXPBOSRE-YLHZHOKKSA-N 458.727 7.641 50 1 JKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)OC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O 299882629 QBSSDCHQINCLNL-LOABOQDLSA-N 484.677 6.083 50 1 JKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587371883 HMYRPKXLCUIGGS-AREMUKBSSA-N 452.982 5.346 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(F)cc1 587571403 NZOTYDFPIZRWNG-NFBKMPQASA-N 457.295 5.564 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3o2)N1 587672794 HWTCIBGZDMGIEZ-WYRIXSBYSA-N 453.149 5.507 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587690044 YYJCERKAKXIRMB-QKFKETGDSA-N 461.806 6.012 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587715190 WXHUOGVLWZRCMF-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2Cl)N1 587723330 WZGODMIJPMSRTH-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 587857153 ZYRSRDXJMAKCLT-WHLRDHCFSA-N 496.858 5.688 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1-c1ccc2c(c1)CCC2 962697035 HMHWBBXRYFKRBI-OUTSHDOLSA-N 495.107 6.568 50 1 JKGF CC[C@@H]1Oc2cc(oc(=O)c2Br)CCCCC#CCC=CCC=CC[C@H]1Br 2356501970 SMHFILGKUYWOFT-MOPGFXCFSA-N 498.255 6.336 50 1 JKGF O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCCCI)ccc2[nH]1 13472542 DWYWLCSGQIEHHB-UHFFFAOYSA-N 458.299 5.474 50 1 JKGF CSc1nc(Nc2cccc(Br)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 28862114 MFKUOFHJCWUBET-QGZVFWFLSA-N 474.815 6.034 50 1 JKGF Cc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2cc(N(C)C)ccc2n1 49746866 KGRQHMRGSOQAIR-UHFFFAOYSA-N 460.409 5.537 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)c1-3 72178260 DBDQKQSAUAJXCP-ILBGXUMGSA-N 480.743 6.549 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 137623231 CASWDFLWXWLZCX-DIPNOVIPSA-N 480.985 5.471 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(F)c2)[C@@H]1c1ccc(F)cc1 587330987 GSSQNUUUVGUJQD-IFMALSPDSA-N 463.249 5.459 50 1 JKGF COc1ccc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332088 IPXUFLOXMIMWLH-FYYLOGMGSA-N 475.285 5.328 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)CC2=O 587457345 XVDHAQMXRZWVED-NPMABZOXSA-N 458.352 5.186 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587546270 VKVJBVPSQBUEII-HNEHEIDXSA-N 477.944 5.936 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684001 IWNSVBAZJUKTNJ-IQMFZBJNSA-N 481.837 6.124 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587723299 WPEWQVJBHDQGBX-WNWIJWBNSA-N 455.557 6.051 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@H](Br)c2ccccc2F)N1 587730277 XGPASABIMDNMMI-LAOHPYGUSA-N 471.183 6.003 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@H](c1ccccc1O[Si](C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623812 LZUYSLXNWHHDOV-JTHBVZDNSA-N 483.637 5.439 50 1 JKGF C[C@@](O)(CSc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857553260 AYZMSZXCPANJNF-MRXNPFEDSA-N 497.429 6.724 50 1 JKGF CC(C)[C@@H](C)[C@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356694952 ODNLAFZGXZAPKY-XKJARDCPSA-N 456.711 6.944 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 9035717 YCLFNFMIGLHWRQ-PCLDSIFISA-N 453.347 5.307 50 1 JKGF CCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCCCCCCCBr 43242106 WXPOLYOJRVYXQN-JOCHJYFZSA-N 493.547 6.024 50 1 JKGF C[C@H]1O[C@@H](C=C=CBr)C[C@@H]2O[C@@H](C[C@@H](Br)[C@@H](Cl)C[C@@H]2Cl)[C@@H]1Cl 238740613 QMDYPTUSBYRIAW-BIXRBUQMSA-N 497.482 5.361 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCCCBr)nc2c1 586972428 QQLNLYPXRUSFFV-UHFFFAOYSA-N 458.088 6.700 50 1 JKGF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238541 DEOAVVUSKYVTRB-QTPGKHNVSA-N 497.530 6.775 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 587324138 WICWHEZZPZUBLG-AOYPEHQESA-N 477.329 6.334 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 587372528 MCRHJCVKUOYGHK-ZBSNKRKSSA-N 495.362 5.250 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)Cl)c(-c3ccccc3)c2c1 587618039 MSZINUDXQIBULH-CQSZACIVSA-N 485.949 5.852 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587712794 QOMNLPOXKZBARD-HUTHGQBESA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)cc2F)N1 587720105 RBTLYNWFTUZORF-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)C1=C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@@H](C)CC[C@H](Cl)C1(C)C)C2=O 2356341354 MJOKCTHXYZUZPK-GWULAUSQSA-N 495.443 5.936 50 1 JKGF CC(C)(C=CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)OO 2356411007 WKQMXHFMAPGWJI-RSHMTPMFSA-N 474.726 6.920 50 1 JKGF CCCCCCCCCCCCCCC=C(C=O)CCCCCCCCCCCCCCC 2356743406 ZTWPAMLFNYHQIO-UHFFFAOYSA-N 462.847 11.684 50 1 JKGF CCOC(=O)[C@@H]1C(/C=C(\O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802407 LREMCCGOSRYIOI-FHRPGNHBSA-N 454.448 5.820 50 1 JKGF Cc1ccc(-n2ccnc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1 586966238 KIWDKWQZYCZXRF-UHFFFAOYSA-N 460.497 7.315 50 1 JKGF COc1c(F)ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1N 587132781 HNHOUPLLIMFGIK-UHFFFAOYSA-N 462.213 6.380 50 1 JKGF CC(C)c1ccc(OC[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325602 GBWZMXRXEMOXDX-AZGAKELHSA-N 454.925 6.070 50 1 JKGF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CBr)cc21 587500174 RLVQWFQLBNENDQ-HHHXNRCGSA-N 473.366 5.914 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Br 587612230 IYGMCUAGYTWDTF-KXBFYZLASA-N 496.176 5.468 50 1 JKGF Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587673874 RAPWDODPTVXXHX-GIPWTMENSA-N 467.176 5.816 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 587687769 HWVQWJBOLAMRAT-JWCBKOKGSA-N 461.766 5.218 50 1 JKGF Clc1ccc([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)o1 962646446 UQYNZNULIHPZGC-WMZHIEFXSA-N 457.799 5.318 50 1 JKGF C[C@H](Cl)C[C@H](Cl)[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833525 WNUOZYIBLYMHEZ-BJHZDCIISA-N 479.451 6.761 50 1 JKGF O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)c(O)c1 1857597882 MIAHGEKZSBWGFN-UHFFFAOYSA-O 498.583 5.382 50 1 JKGF FC1CCN(Cc2ccc(C3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)cc2)CC1 1857632688 VALMWDCYSHKJGB-UHFFFAOYSA-N 471.613 6.037 50 1 JKGF CC(C)(C)CCc1c(NC(=O)CCl)cc(C(=O)Nc2cccnc2Cl)cc1C(F)(F)F 1857652073 UOGJSMUEEFFATC-UHFFFAOYSA-N 476.326 6.162 50 1 JKGF CC1(C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O 2356395777 WHXSEQZSHBSMSL-SBTFHEMXSA-N 468.678 6.189 50 1 JKGF CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@@]3(C)O)[C@](C)(OO)C2)C1=O 2356445421 AWDUWDVISOBEPH-ZRHUBBOASA-N 488.621 5.044 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998219 HJSCBWZPZDFDEA-DAFODLJHSA-N 469.229 6.882 50 1 JKGF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587023836 JWWISRKASUQZKF-UHFFFAOYSA-N 457.450 6.010 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 587329973 ZCUPOXCQLRPEFM-LITSAYRRSA-N 484.910 6.117 50 1 JKGF COc1cccc(-c2cc(-c3ccccc3OCCBr)nc3c2oc2ccccc23)c1 587359887 JLNICHLDMZMXRF-UHFFFAOYSA-N 474.354 7.097 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)O2 587376783 KJMOPAUOIBJDBU-QHCPKHFHSA-N 491.212 6.688 50 1 JKGF C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538556 PLVLVROMCSLRJT-URLLHJDFSA-N 483.402 6.092 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587544336 NSHGYEJZCUKUGK-WNJJXGMVSA-N 487.983 6.512 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)cc1 587548427 ULVJEHIGVGLBJE-REWPJTCUSA-N 473.750 6.031 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 587669436 CYMZLHBIHLRKGI-JWCBKOKGSA-N 496.218 5.347 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587685214 OLNQZSAEOJCXAB-AMXDTQDGSA-N 463.778 5.211 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686428 VDDXGNUZHWJQSI-XCLFUZPHSA-N 460.218 5.496 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 587688227 JTRPJHULXMLFKA-ZSDNHXBWSA-N 479.777 5.698 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587737415 ZQHUWCZVLOFRCJ-WVDJIFEKSA-N 499.149 5.006 50 1 JKGF CC(C)=C[C@H](O)CC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356608083 CMKAMRUVQONAPO-OGAWYMSISA-N 474.726 6.612 50 1 JKGF O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1)c1ccncc1 102415030 QTEIZCYPMXQUAV-YCAMKHIRSA-N 479.411 5.976 50 1 JKGF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586968271 BBADJDABXQEZFG-UHFFFAOYSA-N 453.458 7.544 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cccc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054288 DVTCTSDNFJMFMH-XNTDXEJSSA-N 451.313 6.040 50 1 JKGF Nc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cnc2c(F)cccc12 587176196 HDHCLZPYGFBDPR-UHFFFAOYSA-N 483.235 6.919 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419835 ZUVLRACMUOIYGV-LOLUNWTRSA-N 497.473 6.951 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537240 BZAQGRJCXUZWEH-WIOPSUGQSA-N 467.359 5.843 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 587541216 DXLMPNTWSYZTGG-RBJSKKJNSA-N 468.892 5.581 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 587541522 CEPIPSGDHNZPOB-SHQCIBLASA-N 487.895 6.063 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(F)cc1 587571406 NZOTYDFPIZRWNG-REWPJTCUSA-N 457.295 5.564 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587679340 FVKBRBLHQYVQNL-QKFKETGDSA-N 458.758 5.793 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587682677 NBGLULWXEDSKJZ-YYUOZPCZSA-N 484.752 5.338 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CCCCl)(c2ccc(F)c(F)c2)N1 962915552 AMBQIDYECYAKHW-UKILVPOCSA-N 473.903 5.324 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)C[C@H](O)[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2356575424 MJHMUTYZFNTLDJ-SMHJUKAUSA-N 454.695 6.383 50 1 JKGF C=C[C@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)(OO)C(C)C 42834418 KTUQYPNOLWLYHP-BVKYQJLUSA-N 474.682 6.476 50 1 JKGF CCCCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12 49881881 MRDUBEVGRIKPSR-WNAAXNPUSA-N 478.725 6.846 50 1 JKGF C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 95910650 KICRJBQYQISQJK-PMNIBIAPSA-N 458.727 6.709 50 1 JKGF biogenic,in-vitro O=C(N/N=C(\C=C\c1ccccc1O)c1ccccc1O)Nc1ccc(Br)cc1 103217214 HDZQRCXTWVHHDD-CCDJVQBGSA-N 452.308 5.100 50 1 JKGF CCOC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 253637337 FYUKRDOOHPISDN-UHFFFAOYSA-N 455.318 6.129 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058420 YVJATAOJDPOGGY-VGOFMYFVSA-N 453.289 5.645 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321211 COZVXGSEPWMDEG-BHLWPZGCSA-N 481.951 6.152 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325968 IQMPXTYJEHSLEZ-UWDQQESISA-N 477.960 5.417 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 587329559 DXLKAHVTRKJZLR-FYYLOGMGSA-N 493.731 6.316 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 587338632 XVZFXTGLFPFCBN-IFMALSPDSA-N 463.249 5.459 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2)N1 587674266 VNKIRUFEZWROND-QGHHPUGFSA-N 492.024 5.523 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356503994 BJDXBDDVBKYQSK-ZYVKACNBSA-N 474.726 6.612 50 1 JKGF COC(=O)CCCc1c(SSc2[nH]c3ccccc3c2CCCC(=O)OC)[nH]c2ccccc12 13832604 LTADMBRWQKYQNQ-UHFFFAOYSA-N 496.654 6.440 50 1 JKGF Clc1ccccc1CN(Cc1ccccc1)C1=NC[C@@H](CI)S1 368098492 ZMDVNCKKXJBMAC-MRXNPFEDSA-N 456.780 5.249 50 1 JKGF COc1cccc(-c2c(CCCl)c(-c3ccc(C(C)(C)C)cc3)nc3c2oc2ccccc23)c1 587356846 ALDFMYHEVSMWAI-UHFFFAOYSA-N 470.012 8.402 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 587689557 UMDYAUSQAZDFDD-YUCJRYOISA-N 458.762 5.473 50 1 JKGF COc1ccc([C@]2(C(Br)Br)c3c(F)cccc3C[C@H]3CCCN32)cc1OC 963098290 GKKHVOCLLODJMK-QVKFZJNVSA-N 499.218 5.223 50 1 JKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(c3ccc(F)cc3C[C@H]3CCCN31)c1ccccc1C2=O 963099843 JZOZPWJPYAKDTN-CRYYWNKWSA-N 495.381 5.513 50 1 JKGF FC(F)(F)c1ccc([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963816970 IRRMIIXAVVMBJP-RUZDIDTESA-N 470.922 6.394 50 1 JKGF CCn1c(C)cc([C@]2(CCl)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1C 963863561 ZEYXFMXMOLQZJA-FQRUVTKNSA-N 475.029 5.552 50 1 JKGF C[C@@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857563587 YLZYGYCAZNVWND-MRXNPFEDSA-N 481.430 6.845 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2356518069 DTNMLCLEKOLKGE-AGYPMYPJSA-N 498.912 10.028 50 1 JKGF CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 44221219 NZZHNQMMGLUQOZ-RYWLMXRFSA-N 465.162 7.213 50 1 JKGF C=C(C)COc1ccc2c(=O)c(-c3ccc(OC)c(N(CCCl)CCCl)c3)coc2c1 84714025 GFCLZUNJRKZAEJ-UHFFFAOYSA-N 462.373 5.708 50 1 JKGF Fc1cccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)c1 96272526 PRPKQKSKLFXCNB-GOSISDBHSA-N 460.738 5.320 50 1 JKGF CCCCSSN(C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1)C(C)(C)C 103204843 PDHDECUBESVBJS-UHFFFAOYSA-N 451.057 6.735 50 1 JKGF O[C@H]1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586905168 YVQNMBGZVMMUKX-FZMZJTMJSA-N 455.246 6.552 50 1 JKGF N#C/C(=C\c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587189226 ZYZUBDGTESZSFG-LFIBNONCSA-N 468.460 5.447 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(C(F)(F)F)c1F)CC2=O 587463376 YGPVELNNIJKLDS-IBGZPJMESA-N 461.249 5.758 50 1 JKGF O=C1C[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)Oc2c1ccc1c2CCCC1 587500618 TWCHTSWQCRDYOW-PMERELPUSA-N 495.416 7.718 50 1 JKGF CCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538984 TUXROYLEZYORKB-OFNKIYASSA-N 455.304 5.043 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)cc1F 587554738 FEKHOIWPLKKYOE-RXVVDRJESA-N 465.221 5.062 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587684746 LZARDIQNQSXVPL-YEJXKQKISA-N 453.783 5.343 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Br)N1 587846588 UYTHHIHMWOSOTR-ANRSDYALSA-N 498.053 5.585 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 587853735 RGIDFXDLRLCNMU-FIKIJFGZSA-N 482.850 5.777 50 1 JKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCCl)(c2ccccc2C(F)(F)F)N1 962695600 IVVMUDVXBKGSCQ-PKOBYXMFSA-N 483.811 5.725 50 1 JKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H]1CC=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356649372 KCFVOYBKZOJAGM-OACWRKTRSA-N 457.709 5.076 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)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 36089203 VGVCPRLQICAVQJ-GLIDUJBLSA-N 491.672 6.291 50 1 JKGF C/C(=C\C=C\[C@@]1(C)CC[C@H](Br)C(C)(C)O1)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 238747109 PZQOXRKFZMYSOB-LWDQLIFBSA-N 464.282 5.915 50 1 JKGF Cc1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905344 LQSHRMGYZZDHHM-LLVKDONJSA-N 473.261 6.921 50 1 JKGF COc1cnc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Cl 587064353 JLRZBLGFIAPXBG-UHFFFAOYSA-N 464.641 6.707 50 1 JKGF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2F)c1 587143214 MGMVNEVXDZVKFZ-UHFFFAOYSA-N 478.845 8.355 50 1 JKGF N#CC1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587320554 ATVFSMYDIVDXDR-LADGPHEKSA-N 478.273 5.348 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F 587330145 MNWYLDMEHLXSKS-FYYLOGMGSA-N 481.873 6.005 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1oc3ccccc3c1CBr)CC2=O 587457196 VZXKVBVPKNTURI-HHHXNRCGSA-N 491.381 6.895 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587682144 BKRONRDUIKXFBT-IZHWHUGBSA-N 487.800 5.857 50 1 JKGF N#C[C@@H](c1nc2ccccc2s1)[C@@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957516 NFUUUQWVHWGXJH-GAJHUEQPSA-N 491.966 5.708 50 1 JKGF Cc1ccc(NC(=O)c2ccc(CN(C)CCCl)cc2)cc1Nc1nccc(-c2cccnc2)n1 84375261 ORUZGPZBQHLJFK-UHFFFAOYSA-N 487.007 5.514 50 1 JKGF CC(C)Oc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973323 HORJUWDBJNXRSI-LBPRGKRZSA-N 452.190 6.159 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054335 FGMWGAUMHJGESN-VGOFMYFVSA-N 470.291 6.389 50 1 JKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325133 WSWCOKWRGYWDIB-VSNLFPNXSA-N 455.913 5.561 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 587712502 BBEQVWLGHZVFHM-XTZNXHDOSA-N 479.134 5.362 50 1 JKGF COc1ccc([C@@]2(CCCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963150709 SAQNTWHJWNWTLO-JPYJTQIMSA-N 481.014 5.051 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4[C@H]5C=C6[C@H](CC[C@H](OO)C6(C)C)[C@@]4(CC[C@@]3(C)[C@H]2C1)CO5 2356702583 KULQXGKKVLLNHL-CGAMBTOISA-N 456.711 7.655 50 1 JKGF C=C(/C=C/C=C(\C)CCC=C(C)C)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O 5891278 CKYPHBIOFUNLLX-GUUGYBTRSA-N 470.694 5.998 50 1 JKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCCC4)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43911279 QBDZNAOQIOKONC-ALTGECGKSA-N 471.638 5.397 50 1 JKGF CCCCCCCCCCCCCC[C@H](Br)c1cccc(OC)c1C(=O)OC 64637965 QIGPGHGQFVTXHP-NRFANRHFSA-N 455.477 8.009 50 1 JKGF COC(C)(C)[C@@H](Br)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586971465 SHZUUZQSDWWZQH-INIZCTEOSA-N 470.289 5.695 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 587324519 ZVOCAUJJPDUBGX-UKILVPOCSA-N 499.332 5.342 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587428350 MPMYGVALPSGMJB-BKMJKUGQSA-N 453.941 5.377 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 587544825 PBMGRHUDJBPTRF-LSYYVWMOSA-N 473.956 5.955 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 587545763 PKJHIMFPGMTGEE-CUBQBAPOSA-N 468.892 5.581 50 1 JKGF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@@H](O)CC[C@]12C 2356420888 QXIPAZAGBRHLNR-XUFAECKUSA-N 456.711 7.110 50 1 JKGF O=P(O)(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1 59102126 PSHMOSHAZNPDDA-UHFFFAOYSA-N 494.404 5.200 50 1 JKGF biogenic Clc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 71296245 OTWMXTGUDMPDEI-HXUWFJFHSA-N 469.376 5.040 50 1 JKGF Cc1ccc(NC(=O)c2ccc(CBr)cc2)cc1Nc1nccc(-c2cccnc2)n1 72110877 HVPRXCYYDIMJAR-UHFFFAOYSA-N 474.362 5.738 50 1 JKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)Cc3ccc(CBr)cc3)c2c1 587638266 DUXCLNPJBZXDIW-SFHVURJKSA-N 476.414 7.391 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCC(F)(F)CC2)N1 587722950 UTJSQAVEBLYWBA-DYZYQPBXSA-N 455.156 5.538 50 1 JKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]2(c1ccccc1)c1ccc(N=C=S)cc1 962957385 ONUXJIYEVQBSJQ-SANMLTNESA-N 480.555 6.383 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc(C#N)c1)C(Br)Br 963229620 OJKCPPYOFCTIBZ-QVKFZJNVSA-N 462.229 5.574 50 1 JKGF CC[C@H]1Oc2oc(cc(=O)c2Br)CCCCC#CCC=CCC=CC[C@@H]1Br 2356668554 UGBPUPWKCCXBOM-AZUAARDMSA-N 498.255 6.336 50 1 JKGF CC(C)=CCCC(C)=CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@@H]21 2356805951 VLDCWRGHDGBLAQ-GVUKDKGQSA-N 473.451 7.466 50 1 JKGF N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 96933484 GBEAHOIFAVNWLW-RPBOFIJWSA-N 491.938 5.564 50 1 JKGF N#CC(C#N)=CNc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 473152414 TZBMPCSTFWCCIU-UHFFFAOYSA-N 453.893 5.344 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587325448 FSXAQVQWCMLNGY-IAPPQJPRSA-N 475.947 6.432 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3cccs3)c1C)CC2=O 587496456 XWSLWKYCZJWBEP-RUZDIDTESA-N 458.023 6.167 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537722 JTVAQRKCCBAINP-NZQKXSOJSA-N 455.304 5.043 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544443 NUFQEQPKHUJWEN-QUFBTCJSSA-N 470.952 6.846 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587705003 KJEGSVCVFFSJFN-COJQNKITSA-N 482.674 5.244 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2Cl)N1 587719570 LGEUWAFVYPCDTH-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(c4ccc(C(F)(F)F)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857751644 KDMWMGWXGVWTAW-RRXFZIEKSA-N 496.570 5.035 50 1 JKGF O=C(COc1ccccc1-c1ccccc1)NN/C=C1\S/C(=N/c2ccccc2)N=C1Cl 13122340 LRJZBPXJILHBSA-AGEIGWASSA-N 462.962 5.266 50 1 JKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CI)CC[C@]4(C)[C@H]3CC[C@]12C 13760824 CMSHWTRVHPHRJX-HMWSDPSDSA-N 458.424 5.400 50 1 JKGF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587144549 OBKCSIYJYVCDPM-UHFFFAOYSA-N 472.410 7.266 50 1 JKGF Cn1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587320613 FWCOGSGDECJJOU-UKILVPOCSA-N 480.333 5.672 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 587323523 RNTLRQYBHOEJMR-NZQKXSOJSA-N 467.294 5.057 50 1 JKGF CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587325924 HXWAPRJJKYPEOB-NRFANRHFSA-N 459.945 5.047 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587681724 AGGBJBBKUXSIGE-IZHWHUGBSA-N 496.848 5.836 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 587724401 HSFCKRBUJVKQKB-IRKUAANASA-N 477.162 5.622 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(F)cc2)N1 587728847 FZDJGZJTHYJABS-BUXKBTBVSA-N 459.172 5.680 50 1 JKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1C 587922897 JBYIPYXFEAFIAZ-PXLXIMEGSA-N 480.612 7.990 50 1 JKGF COc1ccccc1[C@]1(CCCCCCl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963196603 QPKVOZBALTUCIF-PXJZQJOASA-N 459.033 6.861 50 1 JKGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 963260593 ZEOWBMDYPIKUCV-XMMPIXPASA-N 459.373 5.113 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 2356473143 UTUUDDODKUTNLS-STIYEXJSSA-N 456.711 6.176 50 1 JKGF CSc1nc(NCCc2ccccc2Cl)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 28862018 KJWCAGAIQICXKK-IBGZPJMESA-N 458.418 5.836 50 1 JKGF COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)C(Cl)Cl)c2ncccc2c1 49710721 SWYCUGOWYUPUNN-QGZVFWFLSA-N 490.431 5.665 50 1 JKGF N#CC(C#N)=C(SCc1nnc(-c2ccccc2)s1)SCc1nnc(-c2ccccc2)s1 71316686 IIMVDBYURLSTRW-UHFFFAOYSA-N 490.664 6.149 50 1 JKGF COc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)C4=C(CC[C@H]23)C(C)(C)OOC(=O)CC4)c1 85917060 ZVDQLQRXHLAXOG-VBPQGDBQSA-N 456.623 6.448 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CBr)cc1 587539542 WYYMWZXGKISHLQ-SHQCIBLASA-N 487.349 6.193 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 587542651 HZIRPIGINOSOLX-LBNVMWSVSA-N 489.955 5.535 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587569341 HREIFYSPIOXSKL-RPLLCQBOSA-N 477.919 6.035 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2(c3ccccc3)CC2)N1 587672918 IXNZIIHRIFTAKH-RBZFPXEDSA-N 453.193 5.444 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587719892 MCXWTCOBYFYROG-WNWIJWBNSA-N 455.557 6.051 50 1 JKGF CC(C=O)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356456466 FPOOHFGLFKYUON-BTZRARBUSA-N 495.399 5.261 50 1 JKGF C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21 35000765 RMBBDVHFALGFJE-IERDGZPVSA-N 477.992 5.338 50 1 JKGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 45349461 AZZJZJJSFIWHTO-LUOAPIJWSA-N 467.278 6.223 50 1 JKGF C=C(c1ccc(Br)cc1)[C@H]1OOC2(CCCC2)O[C@@H]1c1ccc(Br)cc1 95585608 JIACBVUPKGTHFN-WOJBJXKFSA-N 480.196 6.583 50 1 JKGF C/C(=C\C=C\[C@]1(C)CC[C@@H](Br)C(C)(C)O1)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 202156438 PZQOXRKFZMYSOB-GDIXRRRYSA-N 464.282 5.915 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 587374600 KXLSDVCVUHHIGS-WIOPSUGQSA-N 482.964 5.889 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O 587459309 HTSUBDOQSUDJAQ-MUUNZHRXSA-N 459.973 6.603 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587540070 ZUKJSAJZGBYKAI-SQJMNOBHSA-N 467.359 5.942 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 587545541 RNEAOUCUAOGJQI-GJZUVCINSA-N 461.901 5.095 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)cc1F 587554739 FEKHOIWPLKKYOE-WIYYLYMNSA-N 465.221 5.062 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587690157 ZOVUYOPJRJHOSU-SVLHDBBDSA-N 479.821 6.053 50 1 JKGF COc1ccc2c(c1)[C@@](c1ccc(Br)cc1)([C@@H](C)Br)N(C(C)C)CC2 962092958 RPDQHEDATARUIQ-VFNWGFHPSA-N 467.245 5.751 50 1 JKGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCCCl)(c2cccc(C(F)(F)F)c2)N1 962630088 JOLUYQKOMVHLDN-HKUYNNGSSA-N 481.820 5.466 50 1 JKGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 962646129 WQCDPBDXCHQCDF-MFCYSWGXSA-N 457.920 5.225 50 1 JKGF O=C(CCCCCCCN=C=S)Nc1ccc(Nc2ncc3nnn(C4CCCC4)c3n2)cc1 1857540464 OPKSFYRINUXLDT-UHFFFAOYSA-N 478.626 5.462 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O 2356395776 WHXSEQZSHBSMSL-QHCDZUHXSA-N 468.678 6.189 50 1 JKGF Clc1ccc2c(NCCNC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)ccnc2c1 43308050 QVYIGCQMVVIDFU-UHFFFAOYSA-N 484.040 5.659 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCC3c4ccccc4-c4ccccc43)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 44069448 SVJNMYPNSQJZKF-OXQMJVEVSA-N 474.641 6.872 50 1 JKGF O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1)c1ccncc1 102413798 LAGLZTPENDRQHY-NEWJYFPISA-N 479.411 5.976 50 1 JKGF CCCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586974762 ZFQANYAJTRDOLE-GFCCVEGCSA-N 452.190 6.161 50 1 JKGF Cc1ccc2c(ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c32)n1 587054212 CZUZYQVFHWELBA-PDGQHHTCSA-N 472.379 7.198 50 1 JKGF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 587268851 BXEZYERLYPIOOE-UHFFFAOYSA-N 476.427 6.148 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(OC)cc3)c1C)CC2=O 587460440 MQLYDOWZBIOMBM-NDEPHWFRSA-N 482.020 6.114 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587542351 GTBROEZXEGBNBA-SHQCIBLASA-N 459.929 5.896 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587687198 YZBDWEBCTVAOAF-OZAJXLCCSA-N 470.769 5.698 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)CO[Si](C)(C)C(C)(C)C 963842220 WADGAIWZPQXRIJ-CLOONOSVSA-N 463.691 5.869 50 1 JKGF CC[C@@H]1O[C@@H]2C[C@H](Cl)[C@H](Cl)C[C@H](C=C=CBr)O[C@@H]2C[C@H]1Br 2356493715 DLWCNRZNBKQLBS-JSWXLXQASA-N 463.037 5.144 50 1 JKGF CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 34802457 RLSQANCMFFQJAN-QGWGWZPUSA-N 460.386 6.323 50 1 JKGF N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933489 RVBWZTPOQQKYOJ-LOSJGSFVSA-N 491.938 5.564 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 586973151 FYPGXDXBYHLXEK-VIFPVBQESA-N 473.006 6.135 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587010498 BKFMSSLYPREORJ-UHFFFAOYSA-N 488.528 8.987 50 1 JKGF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587044269 YKXZVILROQKGHE-NSHDSACASA-N 494.349 6.603 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323767 TZKAHFPLTBEXMB-KSVBPBMVSA-N 459.355 5.850 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324654 SKMUBMNTWOFUKJ-LSYYVWMOSA-N 472.899 6.213 50 1 JKGF N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587327348 PJRBDGLXILVVLC-VPUSJEBWSA-N 474.919 6.158 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 587328190 UBLNYTUPTGQRMH-VPUSJEBWSA-N 478.903 5.840 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)O2 587381997 JWMURGMLTIDVFG-CPJLOUKISA-N 474.935 6.074 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)CC2=O 587466913 QHEUPRZIKACFLI-UWJYYQICSA-N 457.286 5.492 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587672122 XZMLGYFEGASDDP-DDBGAENHSA-N 461.600 5.803 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(I)cc2)N1 587738349 NLDPVMJPDQAFDU-BTDLBPIBSA-N 494.573 5.209 50 1 JKGF C[C@@H](Br)[C@@]1(c2c[nH]c3ccccc23)c2ccsc2CCN1Cc1cccnc1 962995212 MNRCLGXMHAAOLQ-MWTRTKDXSA-N 452.421 5.710 50 1 JKGF FC(F)(F)c1ccccc1[C@@]1(CCCCCCCl)NCCc2c(Cl)cc(Cl)cc21 963116003 BNKROCIXBBEODS-OAQYLSRUSA-N 464.786 7.591 50 1 JKGF COC(=O)C[C@@H]1C(C)(C)[C@H](Cl)[C@H]2C[C@@H]3C4=CC(=O)O[C@H](c5ccoc5)[C@@]4(C)CC[C@H]3[C@@]1(C)C2=O 2356307631 HOTHINYOYDJGOT-YQKUFWRQSA-N 489.008 5.258 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320331 FJFSJAZWKJEGER-UKILVPOCSA-N 485.349 5.968 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O 587412391 BNILPPFULRBXRA-HXPMCKFVSA-N 458.135 5.048 50 1 JKGF COc1cc2c3c(c1)O[C@@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O 587423783 WCXDPBQDWWTLHT-MUEKUWCCSA-N 474.384 5.002 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(F)(F)F)cc1)CC2=O 587464621 URVCQDQRWCBZDV-LJQANCHMSA-N 459.258 5.499 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 587496649 JFXIMBDNFFFHDM-VVWXKSFDSA-N 464.400 5.110 50 1 JKGF C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573586 ZZKALJSOSBODGE-GHTZIAJQSA-N 458.404 6.927 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587682060 BDVBIQOHFNXBTB-YPMLDQLKSA-N 451.594 6.302 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587684760 MCIHSMILIISTNU-OZAJXLCCSA-N 470.769 5.698 50 1 JKGF N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)[C@@]1(CCC2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188284 AJMYZDWUSLYSNX-VDUCXAMOSA-N 484.603 5.951 50 1 JKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(Cl)cc1)OO2 64448641 XYZOQYBLWFTEBI-DYTPLTOFSA-N 474.000 7.228 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053875 ARXLMBLSYMPCOL-NTUHNPAUSA-N 461.274 6.759 50 1 JKGF CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587087471 QPOQFJYZSQNRPP-HNNXBMFYSA-N 460.756 5.201 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329854 FPNPRKLAFOEWEA-WPFOTENUSA-N 491.303 5.933 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)O2 587374322 WIPMTBZFTFEBJW-AREMUKBSSA-N 466.364 5.669 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)cc2)N1 587680102 NYIVBHLVQSJCBJ-CWTRNNRKSA-N 475.627 6.148 50 1 JKGF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl 587684561 LBBJQTREAUFLSL-LRTDBIEQSA-N 456.783 5.402 50 1 JKGF CC#CCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587956476 DAJNDGIEOSMNHF-UHFFFAOYSA-N 459.322 7.889 50 1 JKGF Cc1c(O)ccc2c1[C@@](CCl)(c1cc(C)n(-c3cccc(C(C)C)c3)c1C)N[C@H](C(=O)O)C2 963466505 DDESASXODMYSOK-WNCULLNHSA-N 467.009 5.313 50 1 JKGF O=C(N/N=C/c1c(-c2cc3ccc(Br)cc3oc2=O)[nH]c2ccccc12)c1ccccc1 1772597778 MIDYNWGSCUBFMT-MZJWZYIUSA-N 486.325 5.468 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(-c3cccc(CC(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772606412 DBCDVNKPJCGLLK-VWLOTQADSA-N 496.489 5.059 50 1 JKGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](C)CC[C@H]1[C@]3(C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356500807 CBRNIVWTBUBBKT-ZWLACALQSA-N 474.638 5.411 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356745539 JKEJJFJGGOFWEL-IIFFJLGTSA-N 491.200 9.245 50 1 JKGF C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](OO)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)OC 44431435 SQJJCDOVGAFFCH-BBEZHFTESA-N 488.709 6.566 50 1 JKGF CC(C)Cc1ccc([C@@H](C)C(=O)OC[C@@H]2C[C@H](Cl)C[C@H](c3cccc4ccccc34)O2)cc1 96914021 XRTGPAZJEJEHNF-RJVBPIPUSA-N 465.033 7.213 50 1 JKGF CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1 96938920 PBEZEHVFTUEBTH-OKCVXOCRSA-N 485.510 5.089 50 1 JKGF N#Cc1ccc(C(F)(F)F)cc1/N=N/N(C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1C#N 100986771 ZYTQHCSQJBCNPW-ULIFNZDWSA-N 487.363 6.813 50 1 JKGF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2CCCCc1ccc(N=C=S)cc1 169322846 MIAOJBAWGZZMRM-FQUZAXHOSA-N 469.050 6.207 50 1 JKGF CN(CC1CCOCC1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 254074532 CIMPAUUBCFCROW-KESTWPANSA-N 474.667 5.277 50 1 JKGF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586930572 MBDBNKGVAPKLHF-UHFFFAOYSA-N 455.474 5.918 50 1 JKGF COC(=O)c1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c(F)c1Nc1ccccc1 586973757 OAHNDSYQQFGDEB-AWEZNQCLSA-N 482.353 6.279 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324617 RXBLBZOJWYSLFN-VAVYLYDRSA-N 498.893 5.757 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Br 587612224 IYGMCUAGYTWDTF-BEFAXECRSA-N 496.176 5.468 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 587686327 CNVWVQWJSHOAQJ-OYLFLEFRSA-N 475.833 6.071 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686535 VOWUTYVELLQCEZ-HJPURHCSSA-N 452.839 6.728 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587746295 MHQQPMBNQQOKOG-LASGZRPHSA-N 498.396 5.128 50 1 JKGF Fc1ccc([C@@]2(CCCCl)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1F 962627580 HAJCGTQOWBXSBW-HOFKKMOUSA-N 452.976 5.974 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]12CC(C)(C)CC1=C2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 963241902 OMVWCROXPRZPOF-XRBXBUORSA-N 488.075 6.774 50 1 JKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccccc2N=C=S)n1 1857646542 BBQBCOLDUARXMG-UHFFFAOYSA-N 482.997 5.161 50 1 JKGF CC1=C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95564193 GMWCXIXKTLWAPF-UHFFFAOYSA-N 491.547 5.740 50 1 JKGF CN(C1CCC2(CC1)OCC(C)(C)OO2)[C@H]1CC[C@H](Nc2ccnc3cc(Cl)ccc23)CC1 102842883 JPJTZJQIEUXNCI-YAVPDODESA-N 474.045 5.939 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/N=C/c3ccc4c(c3)Cc3ccccc3-4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308379 VUSUTTNCRDACFC-MXQOMJNGSA-N 472.585 5.286 50 1 JKGF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C(C#N)=C(N)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 299849173 UYBAXAIXLSPANV-LBZYMTBISA-N 450.711 6.833 50 1 JKGF C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327018 ODSSDNMDBIEUSB-ATIYNZHBSA-N 479.891 5.729 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539672 XGHKHUCIUGLIBS-XUZZJYLKSA-N 469.331 5.431 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587550435 AWLSJZXIYDKWKT-CVDCTZTESA-N 452.249 5.356 50 1 JKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1C 587922631 RLUQXWSNYZSDHX-HYARGMPZSA-N 458.606 7.249 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1(C(Br)Br)C(C)(C)C 962402054 YXGMMRURLACQRK-GOSISDBHSA-N 460.279 5.502 50 1 JKGF COc1cc2c(cc1OC)[C@]1(CCC[C@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672574 KFVYWTRWGBEFJR-IRLDBZIGSA-N 453.888 5.408 50 1 JKGF CC(C=O)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356456469 FPOOHFGLFKYUON-UKDVSSAZSA-N 495.399 5.261 50 1 JKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C(=C(C)C=CC=C(C)C=CC=O)C(=O)C[C@H]32)[C@]1(C)C(=O)O 2356485354 DCAWWGHVIJZCKX-GLIFCGINSA-N 482.617 5.389 50 1 JKGF CCCCCC=CCC=CCCCCCC(C=O)=CCCCCCCCCCCCCCC 2356578259 LMFPNARZPFLUQU-UHFFFAOYSA-N 458.815 11.236 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccc2c(c1)OCO2 64447510 BRZUUABUFBXHOW-QFIPXVFZSA-N 457.536 5.394 50 1 JKGF Oc1cc2c(cc1Cl)-c1ccc(cc1O)C[C@@H](Cl)c1ccc(O)c(c1)-c1cc(ccc1O)CC2 85947350 PPARFJUOIKBTCZ-HSZRJFAPSA-N 493.386 7.118 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC(F)(F)C(F)(F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100913221 JHNYMLVVPFWGNA-RFWWHXEJSA-N 466.390 5.044 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl 587324144 WIILDDMPNLUGPW-JTHBVZDNSA-N 475.741 6.142 50 1 JKGF CCOC(=O)c1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324208 XDYMYJJICMMJCZ-RDGATRHJSA-N 499.332 5.357 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Cl)[C@H]1c1ccc(F)cc1 587337484 RTLFYXJSLAFPBP-RBBKRZOGSA-N 479.704 5.973 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 587376826 QGMIGRJJWBSSCD-IFMALSPDSA-N 495.797 6.629 50 1 JKGF COc1ccc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Cl 587541439 BDKKBKHJZSTXJU-GJZUVCINSA-N 481.331 6.303 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670305 JSERPKZWLJAWHE-ALLJEULLSA-N 483.263 6.447 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783755 GVEUBHIBXNDYJQ-JYRVWZFOSA-N 452.448 7.970 50 1 JKGF Cc1cc2c(cc1F)[C@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)NCC2 962094474 SURZFCYEEYGXQB-QHCPKHFHSA-N 451.800 6.477 50 1 JKGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@](CCCCCl)(c2ccc(C(F)(F)F)cc2)N1 962646053 WBDQJCCPJKMKGJ-UZLBHIALSA-N 495.847 5.856 50 1 JKGF COc1ccc([C@@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962700126 FRJNOCVIVSGNOU-RLWLMLJZSA-N 462.074 6.631 50 1 JKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21NCCc2cccc(Cl)c21 963391427 SVZSZEXDTCATHE-SHZVTRLKSA-N 485.798 5.541 50 1 JKGF C[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@]1(C)CC=C1[C@]3(C)CC(=O)[C@@H](O)[C@@H](C)[C@]34CC[C@]12OO4)C(C)(C)O 2356330169 PDKURZFMRJKEFO-HIOQOXKBSA-N 474.682 5.382 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356484888 KXEPOJYGPBBQJS-WSUSBZBBSA-N 472.710 6.982 50 1 JKGF CS(=O)(=O)OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1 299830082 MJBPROWMPHUIAA-IZHYLOQSSA-N 456.991 5.630 50 1 JKGF O=C(/C=C/c1cccc(Br)c1)SSC(=O)/C=C/c1cccc(Br)c1 473113331 FSVPCKLJSBIUIQ-FIFLTTCUSA-N 484.234 6.373 50 1 JKGF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586980534 WDGPFMHGTUFFEQ-UHFFFAOYSA-N 487.244 6.383 50 1 JKGF COc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046276 DXDCNHCDNOIFGP-DAXSKMNVSA-N 482.902 8.088 50 1 JKGF CC(C)(F)[C@@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587087074 LOCSKZZBOIJTLJ-VIFPVBQESA-N 476.078 7.167 50 1 JKGF N#Cc1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587189760 DZKNBDXPWAHOJW-UHFFFAOYSA-N 454.218 6.433 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 587372771 GGCNNMZCBVWGPW-QUCCMNQESA-N 467.743 5.896 50 1 JKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499352 MIGAGGLIPVXGNA-RDGATRHJSA-N 470.407 5.804 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc3ccccc23)N1 587674670 YUUSVJSNRRJZAA-LRTDBIEQSA-N 463.188 5.914 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2Cl)N1 587719573 LGEUWAFVYPCDTH-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 587856649 YIRZTVUBNWVIKN-MCMMXHMISA-N 481.862 6.133 50 1 JKGF Clc1ccc([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)o1 962646443 UQYNZNULIHPZGC-CVDCTZTESA-N 457.799 5.318 50 1 JKGF O=C(CCl)Nc1ccc(-n2nc(OCC3CC3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857752435 UNFHHDWODMQOAA-UHFFFAOYSA-N 451.741 5.207 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 2356482953 CFBBUWFXWSYJHB-HRKQHQTISA-N 454.695 6.837 50 1 JKGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Br)[C@H](Cl)C2 140552423 LCTBUAFKAFMZQT-IUKJFTNHSA-N 456.646 5.599 50 1 JKGF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587266982 RBKHBMOZYOJPLI-VXJOIVPMSA-N 483.375 5.571 50 1 JKGF Cn1c(O)cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587329591 YPYSLCRYFTVFAJ-ILBGXUMGSA-N 451.881 5.222 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1 587538721 BHWZAKVWPWNVDY-KNQAVFIVSA-N 459.723 5.641 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2(c3ccccc3)CC2)N1 587672849 IMVUGHHGOFTGOK-RBZFPXEDSA-N 453.193 5.444 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)c1ccc(COCCl)cc1 961747724 HMINQWIZKJSBDZ-SANMLTNESA-N 457.014 5.814 50 1 JKGF O=C(CCC[C@@H]1CCSS1)NCCCN=c1c2c([nH]c3cc(Cl)ccc13)CCCC2 1857628143 DXTLABYQANGISE-QGZVFWFLSA-N 464.100 5.431 50 1 JKGF CC(C)[C@@H](C)[C@@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356656253 GMTWAJWKMZXCCV-HJQZEMGYSA-N 477.129 5.858 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](Cl)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 29551913 NEVYPTQNRNGLGC-HRYVVBRFSA-N 489.184 8.569 50 1 JKGF N#CCC1=C(C#N)CC(c2ccc([N+](=O)[O-])cc2)=C(CC(=O)c2ccc(Br)cc2)O1 71316954 ZAHMRSQDIPVLAR-UHFFFAOYSA-N 464.275 5.453 50 1 JKGF Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@@H]3c3ccccc3)c2C#N)cc1 96933512 SWIVPPUYUJQGAY-FTJBHMTQSA-N 489.966 6.167 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O[C@@]3(C)CCC[C@]4(C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@@H]34)[C@@H]2[C@H]1O 138172098 BVVIZGNQTGSFKF-DLLVIXNMSA-N 484.677 5.551 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 263637167 KWHXMASXPBOSRE-KHSPVSEDSA-N 458.727 7.641 50 1 JKGF Fc1ccc2[nH]c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2c1 587174298 GTMDARCKDDDFRJ-UHFFFAOYSA-N 490.654 7.924 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)CC2=O 587457425 ZCWRGFZGZULXRP-CLYVBNDRSA-N 495.413 6.568 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587671797 AZLQYFYTKOYEJX-IQMFZBJNSA-N 489.226 6.428 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687901 JADVLZQCAVUPLH-KCYKTTMJSA-N 466.866 7.116 50 1 JKGF Br[C@@H]1[C@@H](c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2[C@@H]1c1c[nH]c2ccccc12 653788055 WGWDIZCURQUFTF-DMDYGQEQSA-N 466.382 7.171 50 1 JKGF COc1ccc([C@]2(CCCCCCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962664980 KZYZWARGOGDBAE-KAYWLYCHSA-N 467.009 5.385 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@@H](C)CC[C@H](Cl)C1(C)C)C2=O 2356341059 FLJSRYLNOZSLJX-OEDWHBNFSA-N 497.459 6.016 50 1 JKGF CC(C)[C@H](C)[C@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356656252 GMTWAJWKMZXCCV-DGINMVORSA-N 477.129 5.858 50 1 JKGF CCCC[C@H]1C[C@@H]1[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@@](O)(c2ccccc2)CC12CC2 8019443 PZIBKTCIWDKBLB-FMQHXAFDSA-N 499.635 6.484 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NCCCCCNc1c2c(nc3ccccc13)CCCC2 13607677 TYGMTYRXRCSMAH-FQEVSTJZSA-N 471.736 6.526 50 1 JKGF CO[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1=CC1=C(C=O)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@]12C 473110535 WTJIREHJYGENBE-LXXTYRMRSA-N 496.688 6.476 50 1 JKGF O=C(Cl)[C@@H](Br)CC[C@@H](Br)C(=O)c1coc2ccc(Cl)cc12 587275567 BQQSMEQQWLUZIQ-MNOVXSKESA-N 456.945 5.342 50 1 JKGF CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328917 WOFHVXVFYFWYBQ-NOZRDPDXSA-N 454.881 5.036 50 1 JKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539339 VPPFSIKVGHNJBH-NKKJXINNSA-N 453.332 5.669 50 1 JKGF COc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587673340 MBXQKTQIEOIMQK-RNODOKPDSA-N 471.208 5.386 50 1 JKGF COc1ccc(C)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673536 NVFQHLABTCXVLR-HXPMCKFVSA-N 457.181 5.078 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686902 XXTJXIRTCNTKBE-YEJXKQKISA-N 453.783 5.343 50 1 JKGF Fc1cc(C(F)(F)F)cc([C@@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962715109 SMOVAMWZGNMSNN-UZLBHIALSA-N 492.351 5.986 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc3c(c2)OCO3)C1=O 1857765038 YSFUAJDSZHRHAM-QFIPXVFZSA-N 492.572 5.362 50 1 JKGF CC(=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)OCc2ccccc2)OO1)CCC1=C(C)CCCC1(C)C 2356422728 UIDHZKHZBWBCMB-BOBPPRSMSA-N 482.705 8.269 50 1 JKGF C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356518587 VSAWFCPZOWGXLL-BEYSDYMESA-N 490.760 7.402 50 1 JKGF CCCSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 28862128 SQVHDWXVHYTEIC-IBGZPJMESA-N 458.418 6.706 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccn2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802463 POFXSIUSYWVOOB-IYAQBTTPSA-N 475.492 5.050 50 1 JKGF C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1n1ccc(O)nc1=O 254240967 ZUYKHQFLMLDXJZ-ZFMNYDKASA-N 496.797 5.451 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 257468722 KWHXMASXPBOSRE-BXRTVRGOSA-N 458.727 7.641 50 1 JKGF N#CC(C#N)=CNc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 473152906 XAKLZFYPIQVZMO-UHFFFAOYSA-N 470.895 6.088 50 1 JKGF Cc1csc([C@@](O)(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(F)(F)F)n1 587094719 UHLRNRNTXLENNR-ZDUSSCGKSA-N 453.380 5.978 50 1 JKGF COc1ccc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Cl 587326763 NALRVBJYWMXKRC-IGKIAQTJSA-N 497.349 6.840 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 587376833 QGMIGRJJWBSSCD-UNMCSNQZSA-N 495.797 6.629 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@H](C)Br)CC2=O 587456600 RVAIEZNWGFAQSQ-YUNKPMOVSA-N 468.185 5.751 50 1 JKGF COc1ccc2cc([C@@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587673227 LNEKQUSRGFREER-WHEQGISXSA-N 493.214 5.923 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587673902 RHIVODJGZUSWRQ-LRTDBIEQSA-N 469.236 6.058 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587686349 UCHPVYVLVSITFC-WVDJIFEKSA-N 471.153 5.233 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587713619 TWAIJXRESFNLQB-HUTHGQBESA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Cl)N1 587843825 KMMCZCNQMONEFV-GLEZIHRCSA-N 453.602 5.476 50 1 JKGF C[C@@H]1CC2=C([C@H](c3cccs3)C(C#N)=C(N)O2)[C@@]2(C1)c1ccsc1CCN2Cc1cccn1C 962372951 KLKBXBWEPGDXKF-PYCXMFPASA-N 488.682 5.594 50 1 JKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(S(F)(F)(F)(F)F)cc3)N12 962662778 ISANWDQKDFJXEI-NQIIRXRSSA-N 458.452 6.080 50 1 JKGF COc1cccc([C@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962723023 ZRFYTSCBDJYJJM-QFQXNSOFSA-N 462.074 6.631 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccc(Cl)cc1 13675533 XHZPZEQUPBCDRQ-HSZRJFAPSA-N 497.426 6.285 50 1 JKGF CCc1ccc(C(=O)N(N(SOc2ccc(C)cc2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103292011 SBKQZQIUHLTVHC-UHFFFAOYSA-N 490.669 7.115 50 1 JKGF [C-]#[N+]CC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1 169706722 LFBHIBORDAFZDB-UHFFFAOYSA-N 470.556 5.508 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cnn(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 587323759 TVZAQSLHQLRZIC-ILBGXUMGSA-N 493.332 5.366 50 1 JKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508164 SJZSBOPCVZYINO-QFIPXVFZSA-N 451.307 5.731 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587686450 CTOCLZBPPFPIRM-LZDDTZTRSA-N 479.821 6.053 50 1 JKGF Cc1cc([C@]2(CCCCCl)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)ccc1F 961777955 PEJXJHYJFCWGPE-MUUNZHRXSA-N 487.059 6.938 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@@](CCCCCCCl)(c2ccc(C(F)(F)F)cc2)N1)C(F)(F)F 962727796 AXDBVIADCTYKHR-IFMALSPDSA-N 491.903 6.784 50 1 JKGF O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 1857571909 SJHMLCWSLMFADD-KCSSXMTESA-N 497.982 5.466 50 1 JKGF C[C@H](CC[C@@H]1OOC(C)(C)O1)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@]3(C)CC[C@@]12C 2356429586 ASKGIBDPFYQTPN-RCFNASHMSA-N 474.726 7.650 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O 2356439696 AAWUBULPPJPQDA-MXYFOBQVSA-N 486.693 6.305 50 1 JKGF CC(=O)O[C@H]1C[C@H]2OO[C@@H]3C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]4(C)CC[C@@H](C1(C)C)[C@@]2(C)[C@@H]34 136544884 POHSXZIZHBZVSD-NXNURLMYSA-N 498.748 7.514 50 1 JKGF CC1=CC[C@@H](C)C(C)(C)[C@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238771658 CUWJDZXEDIUEEW-ZMSFEEFJSA-N 486.737 6.325 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586974536 XQEZBOSPYZTNDD-VIFPVBQESA-N 451.208 6.647 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)CC2=O 587458776 FNRHUVREDXVBLF-AREMUKBSSA-N 466.965 5.246 50 1 JKGF COc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587538286 OQFMDECBPLLBME-ZJSXRUAMSA-N 469.331 5.270 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 587671737 AKQNJNGRXWYBCE-ODXCJYRJSA-N 480.175 5.416 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1c[nH]c2ncccc12 961779768 VHROTHRCNYOEBX-VWLOTQADSA-N 452.986 5.197 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2cccc(F)c2)N1 963184803 UCTDELBLNCEUSB-IRLDBZIGSA-N 492.340 6.530 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356484886 KXEPOJYGPBBQJS-LDCKHRDLSA-N 472.710 6.982 50 1 JKGF C[C@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=CC(N)=C1C#N 40812508 UGUZWYXMNSKATR-INIZCTEOSA-N 456.228 5.816 50 1 JKGF FC(F)(F)COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccn1 587091794 OWJDRRSAGMJUTR-UHFFFAOYSA-N 498.193 6.986 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587568433 LUGITRMMDHJXBV-IGKIAQTJSA-N 477.919 6.035 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 587674526 XKYCRVGBKMHCDQ-MPBGBICISA-N 480.175 5.416 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587681764 ANKHYHRXTMVHFQ-CMJOXMDJSA-N 477.805 5.444 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 587855312 UMSFMWXEAKFCEU-BUXKBTBVSA-N 458.828 5.052 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21NCCc2ccc(F)c(C)c21 962298394 LLJPKWKTCUZRHD-VAVYLYDRSA-N 467.975 6.086 50 1 JKGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 962646132 WQCDPBDXCHQCDF-NVFJWQAZSA-N 457.920 5.225 50 1 JKGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 963260068 VWQWXSFBIZCUFQ-MHZLTWQESA-N 471.472 6.682 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 963613822 WAEBDKTVARTAAA-PUAOIOHZSA-N 468.670 5.990 50 1 JKGF COC(Nc1cc(Oc2c(C)cc(/C=C/C#N)cc2C)nc(Nc2ccc(C#N)cc2)n1)OC 1857756941 NXNCGOUOEMVVQO-AATRIKPKSA-N 456.506 5.026 50 1 JKGF CC(C=C[C@@H](Cl)[C@@](C)(Cl)CBr)=CC=NOCc1c(F)c(F)c(F)c(F)c1F 2356578307 MLESYUWZFTYAKV-DIFFPNOSSA-N 495.113 6.387 50 1 JKGF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)CCCCBr)ccc3CC[C@@H]12 473124110 NBKHSTBUOXKUNJ-PTUXOGIPSA-N 451.401 5.341 50 1 JKGF N#Cc1ccccc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586964905 NZTUOPIBZHASST-UHFFFAOYSA-N 470.286 7.147 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586974375 VSYZOOWACRPMTG-SECBINFHSA-N 478.106 6.271 50 1 JKGF Cc1ccc2c3c(c4c(nc13)[C@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586992525 CMVJOWSTKSWDSL-IFXJQAMLSA-N 493.401 6.030 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324744 UCQJJTVHXJGAOO-WPFOTENUSA-N 469.306 5.114 50 1 JKGF CCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325755 HAVYQEFNDCEHGY-UKILVPOCSA-N 453.897 5.373 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587530127 CYKXPSXZYHJCBQ-DEOSSOPVSA-N 475.994 5.170 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587669626 FNYBXQZUDCIIGB-ZBUHCNDUSA-N 487.207 5.167 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2Br)N1 587680113 SJCNMUFBFVKUDP-BBATYDOGSA-N 461.600 5.562 50 1 JKGF COCCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587686312 CHYVOKSZGJUKPN-ASSNKEHSSA-N 457.815 5.060 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccc2c(c1)OC(F)(F)O2 962398975 ORWVAEYJZAQQAA-FQEVSTJZSA-N 481.362 5.105 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(NCCc3cccc(-c4ccccc4)c31)c1ccccc1C2=O 962664730 POYZUIRWXQFGFV-KKIUXKEOSA-N 493.006 5.901 50 1 JKGF C[C@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857563586 YLZYGYCAZNVWND-INIZCTEOSA-N 481.430 6.845 50 1 JKGF C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(CF)c4)nc(-c4ccccc4F)c3CC[C@H]12 1911583136 VNOZLDIRUBEPCM-GDRILBJZSA-N 456.496 5.303 50 1 JKGF N#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3Cc2ccc(C(F)(F)F)cc2)ccc1O 13492729 HFPOQOQBQMPPBL-AMVVHIIESA-N 462.431 5.050 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1OC(F)F 40447647 VMJBEKIDUMOJMI-REKMQVHASA-N 472.513 5.238 50 1 JKGF O=C(CBr)Nc1cccc(CCCN2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 169346303 NGPJVRPUANKXDI-VXQMPNGUSA-N 497.477 5.417 50 1 JKGF CC1=CC[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 170113627 LOQZXJRMCXAAID-LAUBAEHRSA-N 484.494 7.060 50 1 JKGF CC(C)=CCC/C(C)=C/C=C\C(C)=C\CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238738433 XNRQWWCTSMJFJI-BAXKDJIZSA-N 472.710 6.389 50 1 JKGF CC(C)(/C=C\C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]21)OO 255221484 JOMWQAFTYLTZSF-OGEXJJRMSA-N 498.660 5.706 50 1 JKGF COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1C 587055052 JEDGOALACNNURM-LICLKQGHSA-N 451.357 6.658 50 1 JKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587070279 HJWRUJMPAGICCM-UHFFFAOYSA-N 460.855 8.120 50 1 JKGF Fc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(N2CCCC2)n1 587177697 URXIEFGOTJHVJZ-UHFFFAOYSA-N 487.267 6.784 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320309 FHIZFNZPFWCOHQ-KPBNCHHWSA-N 497.404 6.768 50 1 JKGF COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325420 FITIOXXDPRFYHL-ILBGXUMGSA-N 468.864 5.485 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1Br 587541368 UBFMZEHFSGOHOU-UZLBHIALSA-N 481.129 5.299 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC(=O)[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 2356860124 UCAWHZRGCBFVGU-XDUIPODHSA-N 470.694 7.334 50 1 JKGF CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O 14556883 CMKAMRUVQONAPO-VCJWGSOKSA-N 474.726 6.612 50 1 JKGF N#CSc1ccc(CN2CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 28636905 FTAOPGQOVFAFSJ-UHFFFAOYSA-N 478.612 5.884 50 1 JKGF O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1 103293322 ZOHRIFGXNCVYTM-ZMOGYAJESA-N 453.976 5.984 50 1 JKGF O=C(NNC(=S)NC1CCCCC1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299827681 QFQPUHYRKSNLFH-UHFFFAOYSA-N 462.663 5.144 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(I)cc1 587572905 XKZROWVXURDLDS-NQIIRXRSSA-N 492.696 5.093 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669797 FSWHPGMNFFSQNB-WQFAYQGZSA-N 475.627 6.193 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCCBr)N1 587674570 XOVTZCLMGFCPAI-BUXKBTBVSA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587684589 LFVCTLCNAQDLPA-JLCFBVMHSA-N 464.762 5.529 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C 587688692 NDTBAGTUXZNUTE-XFNZEKPQSA-N 483.809 5.145 50 1 JKGF COc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O 587784997 GRSAHOVTXYOTAZ-IHWYPQMZSA-N 487.244 6.573 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CCl)c1ccc2c(c1)C(C)(C)CC(=O)N2 962377687 XMMNUAAJXJPFDS-RUZDIDTESA-N 454.039 5.247 50 1 JKGF COc1ccc2c(c1OC)[C@@]1(CCCC[C@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962721905 XVEHRXNYCPYVRG-XXBNENTESA-N 467.915 5.798 50 1 JKGF Cc1onc(-c2c(Cl)cccc2Cl)c1[C@@]1(CBr)NCCc2c1sc(C)c2C 963015186 ACFIBTVIXKMWOC-HXUWFJFHSA-N 486.262 6.419 50 1 JKGF COc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Br 1857573761 RKMPPGICDUKHMA-SFHVURJKSA-N 486.163 5.592 50 1 JKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@H]1c1cccc(Br)c1 1911580226 UXFZGRURCZHLBQ-OAQYLSRUSA-N 487.309 5.146 50 1 JKGF COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C(/C)c3ccc(C)cc3)n2)cc1 49803234 RTCOMCXQUDJEDO-CAQPMQTCSA-N 485.975 6.327 50 1 JKGF Cc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84707744 BINZQBBZLCOUIP-DEOSSOPVSA-N 484.003 5.960 50 1 JKGF Cc1cc(Cl)cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587053787 ADWQJBQFRQABRM-CXUHLZMHSA-N 455.776 7.303 50 1 JKGF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587092811 ASPGXVOAZJAUIL-YFKPBYRVSA-N 476.187 6.112 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 587320286 FFDMWNQSKRGYPI-AOYPEHQESA-N 481.361 6.059 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324940 AZTBLANRKXXGNE-LBNVMWSVSA-N 466.980 7.102 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O 587459334 HTSUBDOQSUDJAQ-NDEPHWFRSA-N 459.973 6.603 50 1 JKGF Cn1c(-c2ccccc2)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587496056 BJRHCYLHYBJYKG-GDLZYMKVSA-N 455.985 6.824 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711823 INVXIIZMUDFZNM-BMLIUANNSA-N 481.125 5.780 50 1 JKGF CC(=O)O[C@@H]1C(C=O)=CC[C@H]2[C@@]3(C)CC[C@H]4C(C)(C)CCC[C@@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@@]12C 2356520985 GMQPHYOAPGYWOA-DMQYSSEASA-N 458.639 5.654 50 1 JKGF C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)CC(c2ccc3c(c2)Cc2ccccc2-3)=CC=C1C=O 35077266 DZROGVSZBXIYIQ-UUWRZZSWSA-N 450.581 7.699 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](Br)C1 586985283 FJLIMGGKCJOGOR-MLGOLLRUSA-N 495.373 5.427 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 587062431 SNNFXHMPLMFGPB-UHFFFAOYSA-N 462.669 7.248 50 1 JKGF COCCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587326303 KNDBBWPKVHQFAG-RSXGOPAZSA-N 471.956 5.479 50 1 JKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529462 AIJJMAIVLIDFPN-HKBQPEDESA-N 490.583 6.647 50 1 JKGF O=C1C[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587530220 BKLADANNMVIUJR-VWLOTQADSA-N 469.990 5.094 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(CC)c1C 587544525 OAGPZDPHJMAOHU-GJZUVCINSA-N 483.948 5.103 50 1 JKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCCl)c(-c3ccc(Br)cc3)[nH]c2c1 587626957 YOUSYEMYRKILFX-UHFFFAOYSA-N 470.638 7.416 50 1 JKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670339 KGJWHDMFXQVJNK-CAYVGHNUSA-N 455.209 5.786 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670477 KYMLVARSYFREGZ-DDBGAENHSA-N 461.600 5.803 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587671986 CDQAHKICHVRCNX-NSPYISDASA-N 491.626 5.731 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682429 CHGHMTRRNKLTBI-IQMFZBJNSA-N 481.837 6.124 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 587683832 IFSOAXDOMKUYST-ASSNKEHSSA-N 453.783 5.343 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@H](Br)c2ccccc2F)N1 587727841 PMGKNISMFUUZPM-LAOHPYGUSA-N 471.183 6.003 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(Sc2c(CCl)c(-c3ccccc3)nn2C)cc1 587919879 ZPPDLSWDBBXIRI-UHFFFAOYSA-N 479.432 7.039 50 1 JKGF CCOc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1CCl 963177476 CYUXLUSGRZUQKE-XLIONFOSSA-N 462.295 5.359 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1cc(C)n(CCc2ccccc2)c1C 963609563 NOSIQQWQZXEVJP-CLYVBNDRSA-N 453.026 5.381 50 1 JKGF O=C(NCc1ccccc1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018654 UFFCTWJAUYAWNT-YTCPBCGMSA-N 480.548 5.199 50 1 JKGF C=C[C@@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 42875596 PGUZRCYRDRXYDE-WPCIBIDWSA-N 456.667 6.800 50 1 JKGF Cc1cc(=O)oc2cc(OCCCCBr)cc(OCCCCBr)c12 66101514 DSPZRPPCPDWPBK-UHFFFAOYSA-N 462.178 5.209 50 1 JKGF CC(C)Oc1ccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3ccc(OC(C)C)cc3)c2)cc1 95560287 XOQCAIZRNZBWKL-UHFFFAOYSA-N 472.412 7.337 50 1 JKGF COc1ccc2nc(Oc3ccccc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98082377 CPGAFQURGCMNJX-DEOSSOPVSA-N 467.525 5.487 50 1 JKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 100781997 YCWNSSLCHYTWSQ-VBLQTSIXSA-N 478.557 5.045 50 1 JKGF CC(C)CCOc1cccc2c1C(=O)c1c(OCCC(C)C)cc(NC(=O)CCl)cc1C2=O 206591965 LYGLBUHCVZCYFL-UHFFFAOYSA-N 471.981 5.489 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 254078656 QUSFRWBCEGVWGG-JMSVPOGOSA-N 482.504 5.681 50 1 JKGF COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325422 FITIOXXDPRFYHL-UKILVPOCSA-N 468.864 5.485 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@H]1c1ccc(F)cc1 587328189 UBLNYTUPTGQRMH-BDYUSTAISA-N 478.903 5.840 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541717 DFPYGKPQQGBWQP-AGSBLFPASA-N 455.938 5.114 50 1 JKGF CC(C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587686184 BWVSJVCFUKBJQR-WNSKOXEYSA-N 452.839 6.852 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689769 VVFUNQJWTJTAHK-OYLFLEFRSA-N 475.833 6.321 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1c(CBr)ccc2ccccc12 587876582 IYZGCUDPHTYDDC-UHFFFAOYSA-N 475.213 5.946 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962923021 LTQSDFSFVSFZGF-AZGAKELHSA-N 496.401 5.545 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCl)(c2nc3ccccc3s2)N1 963172041 CIYARKQYUDAXHR-KBXCAEBGSA-N 461.292 5.050 50 1 JKGF CCCCCCCCCCCCCC[C@@]1(CBr)c2ccccc2C[C@H](C)N1CCC 963236673 GMVQYUSZVZIGSL-LBNVMWSVSA-N 478.603 9.025 50 1 JKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772626450 YMVFMEJSPJLVTH-JXBFRAEISA-N 484.980 5.345 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 1857649067 XWZROSFSVUFGFM-OAQYLSRUSA-N 493.560 5.541 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 5891307 UYSHRHKOHCLBCE-CKGIXHMVSA-N 486.693 5.724 50 1 JKGF biogenic,in-vitro O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(SC(F)(F)[C@@H](F)Cl)cc1Cl 31500142 GBDXXYZXKWNXNL-CQSZACIVSA-N 493.668 6.453 50 1 JKGF N#CC(=C(/N)Sc1cccc(C(F)(F)F)c1)/C(C#N)=C(\N)Sc1cccc(C(F)(F)F)c1 40461436 IXCCMCPFNJWNSI-YTEMWHBBSA-N 486.466 5.996 50 1 JKGF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2F)c1 587143585 KFDOQXLNDSFKKU-UHFFFAOYSA-N 488.409 7.400 50 1 JKGF O=C(CCl)NCc1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587498947 RBMQCPBFMRKMRW-NDEPHWFRSA-N 475.972 5.035 50 1 JKGF CCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538846 RUQBCUQGHSUOSK-XUZZJYLKSA-N 453.332 5.597 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672342 ZZBJCCPYULDDJX-PVUDRZGPSA-N 487.207 5.167 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 587674563 XMYKSVUBNWCTIR-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C 587687339 FZIROTSAZDNVPP-IPQOISQHSA-N 485.825 5.391 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C 587688220 JSKKNAZJPBLOGC-RCDICMHDSA-N 455.843 6.069 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587689966 YCYOEQHJKLZIBW-VNAOBRGMSA-N 475.833 6.401 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711143 GFIWZXMZTSCQRT-DYZYQPBXSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 587712417 ALTHOQBANJJWJZ-MLCYQJTMSA-N 479.134 5.362 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1sc2nc(C)cc(C)c2c1NC(=O)CCl 963238193 HZKXYKUHTDNSQC-SSOJOUAXSA-N 456.055 6.011 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc3c(c2)OCO3)C1=O 1857765037 YSFUAJDSZHRHAM-JOCHJYFZSA-N 492.572 5.362 50 1 JKGF CC1=CCC(=C(C)C)C[C@@]2(O)C(=O)c3cc(cc(O)c3C(=O)[C@@]2(C)Cl)OC(C)(C)[C@H](Cl)CC1 2356716503 OGKULKCQQIVNDI-LIKDZFNVSA-N 495.443 6.121 50 1 JKGF Cc1cccc([P+](Cc2ccc(C(=O)c3ccccc3)cc2)(c2cccc(C)c2)c2cccc(C)c2)c1 84670059 GOTJBVSIVOVMMG-UHFFFAOYSA-N 499.614 7.337 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=C\c1ccc(F)cc1)/C2=C(\C#N)C(N)=O 96916461 DCQAIGVHAJNFIJ-KBEVWUFJSA-N 460.593 5.448 50 1 JKGF CC[C@H](C)Sc1nc(NCCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135107 FPBWRCAEWSNSDZ-PGRDOPGGSA-N 466.054 6.352 50 1 JKGF CC(C)(SCC(=O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586960503 WUCGXZSMXFLTMR-UHFFFAOYSA-N 455.268 6.036 50 1 JKGF C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079012 DULOVGDEIBKILN-LURJTMIESA-N 451.646 6.442 50 1 JKGF Fc1ccc(-c2ccsc2-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587164625 UEEKLNOXBOIMAW-UHFFFAOYSA-N 499.299 8.517 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587332349 KXVZOYRQYSPDFC-IFMALSPDSA-N 479.704 5.973 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 587335686 RFDGOUQFLFUXPN-UNMCSNQZSA-N 463.249 5.459 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587541614 CMODXZXHJPVOKO-RPLLCQBOSA-N 494.374 6.549 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542010 FFTMATUJKCWLSC-PXDATVDWSA-N 451.906 5.083 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 587686294 CDXSSYUCMFOSKY-LMKMVOKYSA-N 489.860 6.266 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 587711320 JWLDBTZVBDDIFF-DYZYQPBXSA-N 481.125 5.780 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1cc(F)cc(Br)c1 962368690 BWYLIIANWDNVFI-FQEVSTJZSA-N 498.259 5.685 50 1 JKGF CCCCCCc1ccc([C@@]2([C@@H](C)Cl)c3ccsc3CCN2Cc2cccnc2)cc1 963014398 SLPUMYLYWNOLMV-ZBLYBZFDSA-N 453.095 7.195 50 1 JKGF COc1ccccc1[C@@]1(CCCCCCl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963196593 QPKVOZBALTUCIF-LMSSTIIKSA-N 459.033 6.861 50 1 JKGF COC(=O)c1coc(Cn2cc(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(C)C)C3)nn2)n1 1857544282 UKHYVGCZUNVLPD-HBFSDRIKSA-N 476.694 5.106 50 1 JKGF Cc1cc2c(cc1C)NC(c1ccc(C(=O)NNC(=S)Nc3ccc(Br)cc3)cc1)N2 1911574347 VARMCADELOPDOW-UHFFFAOYSA-N 496.434 5.234 50 1 JKGF CC1=C[C@@H]2c3c(c(C(=O)NC[C@H]4CC[C@H]5C[C@H]4C5(C)C)nn3CCCCCCl)O[C@H]2S1 2356543666 QKKYERABQUMCPY-JPDULQBJSA-N 464.075 5.547 50 1 JKGF O=C(CCl)Nc1cccc(Oc2cccc(-c3c(O)[nH]c4cc(Cl)ccc4c3=O)c2)c1 13801578 WKNUHBCPLHAZPT-UHFFFAOYSA-N 455.297 5.524 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)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 36089197 VGVCPRLQICAVQJ-AEYSOKPTSA-N 491.672 6.291 50 1 JKGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1)c1ccncc1 64548889 LAGLZTPENDRQHY-NVPYSNMXSA-N 479.411 5.976 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(NC(=O)OCc3ccccc3)cc1)O2 587376946 ZCZPVDHGSJOUGK-VWLOTQADSA-N 495.373 5.582 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)CC2=O 587495103 NJUYOZRMTCSYKP-DEOSSOPVSA-N 472.994 5.629 50 1 JKGF O=C1C[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587508663 QELKINBHUVSDHS-MUUNZHRXSA-N 459.948 6.952 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539322 VMYUTIYSTXEQIX-MZKRTTBSSA-N 473.750 6.076 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 587671736 AKQNJNGRXWYBCE-MPBGBICISA-N 480.175 5.416 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587689753 VRABFEJYTRDUGX-WSVYEEACSA-N 466.782 5.309 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587689895 XRMKDOIRZDERMB-JOWJHRDDSA-N 466.866 7.240 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849522 AIIMKJZXPUHWJA-SCKBWLTNSA-N 489.838 5.057 50 1 JKGF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587951298 HBHZOEGKAWHNPX-PGUXBMHVSA-N 477.337 8.029 50 1 JKGF COc1ccc(C(=O)c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3o2)cc1 1857646672 ROOMLXNPVNPPLL-XMMPIXPASA-N 482.536 5.432 50 1 JKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H]1CC=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356649371 KCFVOYBKZOJAGM-NDURPYHNSA-N 457.709 5.076 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 587335294 QMPSKZFBUOGIHB-IRLDBZIGSA-N 479.704 5.926 50 1 JKGF CSc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1NC(C)=O 587372167 DYLQANKEBHLHKH-UKILVPOCSA-N 485.964 5.705 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1sc3ccc(Cl)cc3c1C)CC2=O 587493243 CQECLBZFXHQKAF-JOCHJYFZSA-N 479.823 6.777 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546592 WWDVVPGBIQXKIE-HIXPLRPKSA-N 465.933 5.615 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569331 PZNAIZFTIDJCSB-ZRCGQRJVSA-N 475.285 5.397 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587673549 ODNHICZFDVGCEV-ADLMAVQZSA-N 461.600 5.723 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587844961 PSNTYJKFNXMERC-IQMFZBJNSA-N 453.380 6.149 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3sccc3c2)N1 587855337 FWGLSWJIPWDDKH-WLRWDXFRSA-N 469.217 5.976 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCc4ccccc4)cc3)(C(F)(F)F)C2)cc1 1772583740 GWYUTJRXSWJAAZ-NDEPHWFRSA-N 490.525 6.262 50 1 JKGF CC(C)=C[C@H](O)CC(C)=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356608085 CMKAMRUVQONAPO-ZJRZZCDQSA-N 474.726 6.612 50 1 JKGF COC(=O)CCc1c(SSc2c(CCC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 13740080 DINHMKFQZIUDRX-UHFFFAOYSA-N 496.654 5.681 50 1 JKGF Clc1ccc2c(NCCNCC3CCC4(CC3)OOC3(CCCCC3)OO4)ccnc2c1 42891656 RNJYHMJWEGEUDI-UHFFFAOYSA-N 461.990 5.347 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587326298 KLNSSWZPVJUEAH-VIZCGCQYSA-N 497.953 7.173 50 1 JKGF COCCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587326300 KNDBBWPKVHQFAG-AHWVRZQESA-N 471.956 5.479 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccc(Br)cc1 587549028 WHMLMLXELHWLSY-UGKGYDQZSA-N 459.723 5.337 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587670965 NADUCZWMSQVCME-ZKTNFTSUSA-N 475.627 6.111 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cccc2Cl)N1 587674024 SBNPSWHPEUNHKG-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685367 PTVJCQACTIMKMU-QMHKHESXSA-N 452.839 6.728 50 1 JKGF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl 587686753 XDKWMJJPHBTSJC-ZSEKCTLFSA-N 456.783 5.402 50 1 JKGF COc1ccc2c(c1OC)[C@](c1ccc(Br)cc1)([C@H](C)Br)N(C)[C@@H](C)C2 962627017 KJLCTAWZUOPNGI-DGCWBMGLSA-N 483.244 5.370 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963107845 SZMJKGJHLNJXLH-JCTONOIOSA-N 459.403 5.468 50 1 JKGF C=C(Br)[C@@](C)(Br)CC[C@@H](Br)C(C)(C)Br 1635865 NPUWTHRIMANTOV-SCZZXKLOSA-N 455.854 5.766 50 1 JKGF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCI)C[C@@H]12 28655108 RYUXOPBWHOXBLN-UIVXOMHLSA-N 458.424 5.400 50 1 JKGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)NC12CC3CC(CC(C3)C1)C2 299822612 BIGVILTZZOAMKI-UHFFFAOYSA-N 498.671 5.615 50 1 JKGF C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277303 SLXAAXNATIEJIG-ZCFIWIBFSA-N 462.198 5.697 50 1 JKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325129 WSWCOKWRGYWDIB-JHHHIBSYSA-N 455.913 5.561 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F 587340589 YHXUYNNLDFUQNP-XCZPVHLTSA-N 493.937 6.571 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587417760 PXIOSQVRFJJVSI-DIUWLVJMSA-N 456.369 6.026 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1Br 587537491 GESAQFVSSOBUDT-NQIIRXRSSA-N 490.147 5.407 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@@H](C)c1ccccc1 587690128 ZIAXIYGVNWHISN-RTNKVPBISA-N 489.860 6.632 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711606 LHGAVKCKUBCPPX-BMLIUANNSA-N 481.125 5.780 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1c(F)c(F)c(CBr)c(F)c1F 587891800 FVIRETMFIDDILN-UHFFFAOYSA-N 497.113 5.350 50 1 JKGF CCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320353 FNMOTTSOLUJMQR-VWNXMTODSA-N 455.323 5.743 50 1 JKGF CC(C)(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587322412 MINXDJTUBJZZRW-BVAGGSTKSA-N 483.377 6.478 50 1 JKGF N#Cc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587323513 RGVCSMOXVJWPGI-JTHBVZDNSA-N 452.279 5.052 50 1 JKGF C[C@]1(c2ccc(NC(=O)CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325013 BNFKSXWEBGAJEB-UKILVPOCSA-N 453.897 5.373 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 587376939 ZCZHNOHSYFDOGQ-NFBKMPQASA-N 484.346 5.790 50 1 JKGF COc1ccc([C@@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418653 UUJPIKVDJRGISK-LPPUWEFUSA-N 450.918 5.335 50 1 JKGF COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587423940 LUOBQJMEJHDMKG-MAYOSHEUSA-N 487.930 5.974 50 1 JKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496881 ANUVMFOSDJPQIZ-SIKLNZKXSA-N 463.755 5.318 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 587498638 ISWAXQOPPXDWSZ-BSEYFRJRSA-N 454.364 5.407 50 1 JKGF O=C1C[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507506 MPAOFXXSHYKZRX-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C 587546755 XNYROAMGAZCYJK-GGXMVOPNSA-N 487.983 6.512 50 1 JKGF C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556945 LCVFLGVZUNDRPI-SXWKCWPCSA-N 475.285 5.397 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587672990 JJPUVTJKEOCFEE-DGIBIBHMSA-N 487.594 6.161 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2cccc(Br)c2)N1 587679695 NITHGRYPENDCII-ADLMAVQZSA-N 461.600 5.562 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686512 VMNHVXPGUHYEDQ-GIJMVEMTSA-N 463.819 5.106 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962671742 UXBRRPMCBPGFKE-SANMLTNESA-N 466.965 5.018 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1ccc(CBr)cc1 963281679 USNPUUBJBKEYQR-SFHVURJKSA-N 488.061 5.470 50 1 JKGF COC(=O)[C@@H](CCC#CC=C(Cl)Cl)[C@@H](CCCC=CCC(Cl)Cl)NC(C)=O 2356689324 FRBZGQKWERYAML-JKSUJKDBSA-N 457.225 5.303 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC3c4ccccc4-c4ccccc43)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 43532716 BUAFJGYAHQWSHK-KMKPXVNOSA-N 460.614 6.482 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Br 587612226 IYGMCUAGYTWDTF-DNVCBOLYSA-N 496.176 5.468 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674058 SKDWXBFCXAEXNC-GIPWTMENSA-N 466.192 5.551 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 587689167 QLMCXNFZCDEVIH-GIPWTMENSA-N 452.755 5.000 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587737458 FKMNIDYCMCTXAB-DYZYQPBXSA-N 460.281 7.043 50 1 JKGF CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C(C)(C)C)c1O 587921953 DMEXTBKVCUNBSD-MFOYZWKCSA-N 452.570 7.453 50 1 JKGF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 2356465009 WTQGCUIIGTXDIX-VNNALGIMSA-N 498.912 9.884 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C)OO 2356620998 KZGHWXGDVVHWOC-ICZVBWPOSA-N 474.726 7.206 50 1 JKGF CC(C)[C@H](C)[C@@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356656254 GMTWAJWKMZXCCV-IMVBEGSLSA-N 477.129 5.858 50 1 JKGF N#CC1=C(c2cccc3ccccc23)CN(C(=O)CCc2cncn2Cc2ccc(C#N)cc2)CC1 13489046 KUHZXPPLZCMGNF-UHFFFAOYSA-N 471.564 5.099 50 1 JKGF C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]21C 72169832 ZFWQCKSSHUJFRW-MBLWRVAXSA-N 468.625 6.124 50 1 JKGF CCCCC/C=C\C[C@@H](CCSSCC[C@@H](C/C=C\CCCCC)OC(C)=O)OC(C)=O 238772959 DTLNHSKTUGGNSN-MTKCXMBQSA-N 486.784 8.065 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cccc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056148 NUQRLUDDYNMVCU-GDNBJRDFSA-N 475.301 7.360 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182932 QPQCZRICVWVOND-UHFFFAOYSA-N 480.627 7.145 50 1 JKGF COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)[C@H](C)Cl)c3C)nc3c2oc2ccccc23)c1 587357742 LAJUIPRGBXCTNP-HNNXBMFYSA-N 458.945 7.079 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2Br)N1 587680314 PIOAFRXHSCLPMB-ZKANADHPSA-N 483.006 5.416 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587714640 WGODEHROOOYRML-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(C(Cl)Cl)n2)cc1 587883454 LRGLXRRTZHWTSC-UHFFFAOYSA-N 469.155 5.230 50 1 JKGF Cc1c(C)c(C)c([C@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)c1C 962962774 XDFOMWQAYLOTGI-VWLOTQADSA-N 465.987 6.381 50 1 JKGF CCc1ccc([C@]2([C@H](C)Cl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963137252 HDURGEJWWYRDMP-XDBZFTIUSA-N 479.020 5.418 50 1 JKGF CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]23CC[C@@]1(C)OO3 1857755187 ZEYYXHRJJGPVFD-ZWCIYHLXSA-N 456.667 5.878 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O 2356733699 PIOYBULRRJNPSG-LTGKBQHQSA-N 454.695 6.837 50 1 JKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](I)[C@H]1CCC(=O)O1 13462702 JVGLFGABRWZJME-XWFXSGQGSA-N 454.392 6.637 50 1 JKGF N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933483 GBEAHOIFAVNWLW-JWQCQUIFSA-N 491.938 5.564 50 1 JKGF C[C@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587008737 NTSXNPHXHDGHDV-JTQLQIEISA-N 479.286 5.301 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587025764 NVAWSKGUKKNDGN-UHFFFAOYSA-N 481.309 8.378 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 587329970 ZCUPOXCQLRPEFM-GGXMVOPNSA-N 484.910 6.117 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccc(Cl)cc4Cl)no1)[C@@H](C2)C3=O 587414736 WXUSAADICNOAOP-QKKBWIMNSA-N 495.156 5.695 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1 587537566 HRUCMJZPKVXBRS-WIYYLYMNSA-N 490.147 5.407 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 587546347 WDKLGFLAGTWDJV-UHSQPCAPSA-N 487.983 6.149 50 1 JKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615736 XROHYGJIDVLOOB-HYWYFEKYSA-N 488.952 5.762 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(CCl)c2c1 587617305 DDBKCVGJRJLKBX-UHFFFAOYSA-N 485.949 5.600 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587681723 ADXQQKHXSZJSGK-XMHCIUCPSA-N 467.810 5.589 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587688911 OISHIEQJEDSGSH-XMHCIUCPSA-N 467.810 5.488 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 587859679 YFHBRILBWRCGHB-RZZGRXHGSA-N 464.791 5.474 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(F)c(F)c2Br)N1 962960046 VTAYIUSHLNYCDS-YBTHPKLGSA-N 484.182 5.771 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2CCCCCC)C1=O 1857774917 XLYHLGURXMKMSU-IBGZPJMESA-N 456.627 6.436 50 1 JKGF CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)CC=C(C=O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356707303 PRJYGULWSUVOHQ-RSXGOPAZSA-N 458.595 5.268 50 1 JKGF COc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3C[C@H](Cl)c2ccccc2)cc1 13675523 JLAFLFSIZKEYGK-DEOSSOPVSA-N 493.007 5.640 50 1 JKGF CCCCC/C=C\C/C=C/CCCC/C=C\N(NC(=O)COC)C(=O)CCCCCCCCC 206877557 PTGPQHFNNAPOOT-FHISATJGSA-N 476.746 7.790 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319845 DDJDABRLIMLZLC-TYFWRAIDSA-N 481.361 6.058 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323298 JMPGTHOLVGZDLB-RJZKYMFLSA-N 454.881 5.040 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587330020 ZVGJPHQPAOUCPU-IAPPQJPRSA-N 466.980 7.147 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(-c3ccccc3)noc1C)CC2=O 587457413 YWFLNHAAJWXANX-HSZRJFAPSA-N 456.336 5.564 50 1 JKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587540057 ZPQVLFONPOXIQY-RDPSFJRHSA-N 465.299 5.699 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cc(F)cc1F 587554786 FJRIOFCANWUJQK-WIYYLYMNSA-N 465.221 5.062 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587677915 AXWWSGAOZXOOCF-QKFKETGDSA-N 458.758 5.793 50 1 JKGF Cn1cc([C@@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)cc1C(=O)C(Cl)(Cl)Cl 962671238 TXKIYEKGBTUYJD-JOCHJYFZSA-N 482.238 5.873 50 1 JKGF C[C@H](Cl)C[C@H](Cl)[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833527 WNUOZYIBLYMHEZ-OOXLZHEQSA-N 479.451 6.761 50 1 JKGF C[C@@H]1[C@H]2CC[C@H]3C4=C5CCC[C@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356507092 WMQCTQIEIFEXIR-UUZAFRFQSA-N 459.725 5.156 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(Oc2ccccc2)c1 95809757 FFIJLNVKQAYCFF-VFCFBJKWSA-N 459.546 5.614 50 1 JKGF CCc1ccc(/C=C2\C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O[Si](CC)(CC)CC)[C@@H]23)cc1 206985014 KQAROLOHHCECQV-YTJOXSTPSA-N 466.738 7.475 50 1 JKGF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCCCl 587328857 WEIIGXYCDJSKMQ-AOYPEHQESA-N 470.924 5.822 50 1 JKGF COc1cccc(-c2cc(-c3ccc(NC(=O)[C@@H](C)Cl)cc3)nc3c2oc2ccccc23)c1 587359676 ZVRDSMXUKCFCIC-MRXNPFEDSA-N 456.929 6.889 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587669309 CRUVBEOQZOTGRQ-QQKBFRNYSA-N 491.626 5.811 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587684645 LKCNWSDFDFRWGT-FPTDNZKUSA-N 460.778 5.473 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2Cl)N1 587723331 WZGODMIJPMSRTH-XYZCENFISA-N 465.563 5.553 50 1 JKGF C/C(=N\NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccc(Br)cc1 1857567608 AMWISJZECRTLHZ-JVWAILMASA-N 491.341 5.142 50 1 JKGF C=C(CCC=C(C)C=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@H](O)C[C@]12C 2356540586 CPCXHJGLQHAOKZ-WRJIWCLHSA-N 454.695 6.693 50 1 JKGF CC(C)=CCC[C@H](C)C=C[C@H](O)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356680275 BIXXDPOEXJMBRN-YDPMKULRSA-N 474.726 6.468 50 1 JKGF CCOc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)c1OC 586977254 DLMWMQXVXDCPOR-DAXSKMNVSA-N 499.299 7.561 50 1 JKGF Cc1ccc2c3c(cc(-c4cc5c(cc4NC(=O)CCl)OCO5)nc13)-c1ccccc1C2=O 586993838 QSGYRIJWVCAACC-UHFFFAOYSA-N 456.885 5.328 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587188095 NMGHBIKTZDTMFU-UHFFFAOYSA-N 486.207 6.140 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnn(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 587323762 TVZAQSLHQLRZIC-ZCYQVOJMSA-N 493.332 5.366 50 1 JKGF COc1c(F)cccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330789 IKZGMSYWFVFRBO-OFNKIYASSA-N 475.285 5.328 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497255 IAIBSUSMNLSXQU-KWMCUTETSA-N 459.973 6.040 50 1 JKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497687 KKSSRCBKNNGGNV-SVBPBHIXSA-N 486.439 6.090 50 1 JKGF O=C1C[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)Oc2c1ccc1c2CCCC1 587510003 VFWIGEGAYBBXGH-QFIPXVFZSA-N 461.871 5.264 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569329 PZNAIZFTIDJCSB-SXWKCWPCSA-N 475.285 5.397 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@H](C)c1ccccc1 587690127 ZIAXIYGVNWHISN-HMFAJSFMSA-N 489.860 6.632 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587719549 PXXIYQHLZPANLF-XTZNXHDOSA-N 479.590 5.862 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@](CCCCCCl)(c1ccc(Cl)c(Cl)c1)NCC2 962926459 OYXFQXZKCGJIAB-QHCPKHFHSA-N 453.841 5.884 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957536 NFUUUQWVHWGXJH-HXOBKFHXSA-N 491.966 5.708 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356503991 BJDXBDDVBKYQSK-OGAWYMSISA-N 474.726 6.612 50 1 JKGF C=C(C[C@H](O)C=C(C)C=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 2356611801 KUSJNVJEIABOSC-SDCXCWGCSA-N 454.695 6.693 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802494 WPOIKWAUAJRGRD-DUFRQFGPSA-N 475.492 5.050 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@H]2CCSS2)c1-3 72177123 JCKSBFDVTFRZJP-JTHBVZDNSA-N 467.700 6.838 50 1 JKGF CCCCC[C@@H](Br)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O 473159254 XDJZXUOCTHXONH-CQSZACIVSA-N 492.049 6.262 50 1 JKGF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)cc1 586955618 TYRVMMSZJKRPER-UHFFFAOYSA-N 481.512 6.097 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)cc2F)[C@H]1c1ccc(F)cc1 587330171 FXJNETZLYBSXSB-RBBKRZOGSA-N 481.239 5.598 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 587332795 JYDSEOVBWDLTBX-IAPPQJPRSA-N 493.937 6.571 50 1 JKGF O=C1C[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 587497845 LGNJYUBAQJHRKK-PMERELPUSA-N 486.011 6.258 50 1 JKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587499698 OEJRNFBCRJKKBC-NUXXPKPISA-N 482.256 5.866 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539193 UTSPAABUAOHKEL-ZJSXRUAMSA-N 464.315 5.434 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(Br)Br 587615331 WDEZQKCSZLIKNX-HNAYVOBHSA-N 496.176 5.427 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 587673819 QNAWAUKKZHKKAV-CMJOXMDJSA-N 489.226 6.309 50 1 JKGF Cc1cc([C@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c(C)n1[C@H](C)c1ccccc1 963005315 HUPMAJDYTOIWIU-PIKZIKFNSA-N 476.089 6.711 50 1 JKGF CC1=C(CCCO[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C(=O)C(C(C)C)=CC1=O 1857745023 QTZSHOWUXYMALR-JJSOLIOVSA-N 488.621 5.042 50 1 JKGF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356574503 BRCSFJAWHNPAMY-RPQFXWDQSA-N 465.118 6.002 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H](C#N)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 103036659 XHCQQXDIZNDAGY-IDLUXUETSA-N 478.383 5.238 50 1 JKGF CCCCC[C@H](Br)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O 473159245 XDJZXUOCTHXONH-AWEZNQCLSA-N 492.049 6.262 50 1 JKGF Cc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl 587055228 LBRMHCLMTWBCLJ-CXUHLZMHSA-N 455.776 7.303 50 1 JKGF COCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587327360 PODSFDBROJPKFT-UKILVPOCSA-N 457.929 5.089 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(Br)c1)CC2=O 587467967 VHUWXQODPJHQOI-IBGZPJMESA-N 472.148 5.502 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 587672091 CVXVHBFXJTXMNK-YEJXKQKISA-N 467.220 5.640 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2ccc(F)c(Br)c21 587672284 ZIPCSMWBDPWIGL-IDFMNXDXSA-N 496.218 5.034 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 587673179 LBLKNLSKYZIXFP-YEJXKQKISA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2c(F)cccc2F)N1 587716980 FCVJENRSTJFPTF-ZJEXCSKESA-N 477.162 5.622 50 1 JKGF COCCCN1CCc2ccc(OC)cc2[C@@]1(C1CC1)[C@@H](Br)c1ccccc1F 961324796 OJTDHUYVANDADA-ZEQRLZLVSA-N 462.403 5.470 50 1 JKGF Cc1cccc2c1[C@](CCl)(c1ccc(C(F)(F)F)cn1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963854343 OOHRUFXBTSWOAA-HXOBKFHXSA-N 498.929 5.528 50 1 JKGF Cc1oc2c(c1-c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C(=O)CCC2 586904686 YHELWDAHVKQTFY-UHFFFAOYSA-N 471.245 7.070 50 1 JKGF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586935319 DVBSDUMHLXFPFB-MRXNPFEDSA-N 489.919 6.549 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587337015 UMZQIYMGEWOUSY-JTHBVZDNSA-N 475.285 5.328 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)O2 587381091 FIARJIDNEBJGAA-QGZVFWFLSA-N 450.201 5.130 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)CC2=O 587463084 VYDUQJONURKYHF-IBGZPJMESA-N 477.704 6.273 50 1 JKGF N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546993 KPJQUJKGFYQAJT-SIKLNZKXSA-N 457.429 5.482 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587671370 RFWGMWGUDAWKGX-BHVCSQLQSA-N 467.220 5.638 50 1 JKGF CC(C)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672159 DFGUKAATENVCJD-RBZFPXEDSA-N 455.209 5.884 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587674041 SFNZMNLZJKRKIF-CQLKUDPESA-N 497.033 5.650 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)s2)N1 587847936 MXWBZJPVARTGON-DYZYQPBXSA-N 481.656 6.209 50 1 JKGF Cc1nn(CCCCl)c(C)c1[C@@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961749903 MYSCIAMMXWIDRS-QHCPKHFHSA-N 459.034 5.370 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCCc2ccc(F)cc2)cc(C(F)(F)F)c1 1857769099 QNHOAAHZAQWJKC-UHFFFAOYSA-N 472.910 5.435 50 1 JKGF O=S(=O)(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc2c(c1)CCC2 586920032 DKVZDGQQMBLCBQ-UHFFFAOYSA-N 452.470 5.725 50 1 JKGF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)no2)n1 587119413 WVQPOUQOMXZOCZ-UHFFFAOYSA-N 459.322 6.139 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 587324137 WICWHEZZPZUBLG-AHWVRZQESA-N 477.329 6.334 50 1 JKGF C[C@@]1(c2ccc(NC(=O)CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325012 BNFKSXWEBGAJEB-NOZRDPDXSA-N 453.897 5.373 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587333047 UWYATZGUUVGEQK-RBBKRZOGSA-N 450.815 6.043 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 587458489 JSKAKTMNCRKWCW-OHZJNBGDSA-N 489.955 5.364 50 1 JKGF O=C(O)C[C@@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496877 ANUVMFOSDJPQIZ-DENIHFKCSA-N 463.755 5.318 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544201 NBTPLSCLDSMVCO-YZKRRQQXSA-N 465.933 5.471 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 587674209 UQRWIKSKQVJCGP-OSFVCNQISA-N 475.284 6.731 50 1 JKGF CCCCCCc1ccc([C@@]2([C@H](C)Cl)c3ccsc3CCN2Cc2cccnc2)cc1 963014385 SLPUMYLYWNOLMV-IDISGSTGSA-N 453.095 7.195 50 1 JKGF Cc1cc(C)c(C)c([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1C 963200740 RYDGFHHTSYBLSF-RXVVDRJESA-N 460.323 5.674 50 1 JKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1cc2ccccc2nc1Cl 1772642700 HXWXAVAEIFBGPH-FJEPWZHXSA-N 486.362 6.597 50 1 JKGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@]1([C@@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857761786 IBELYMKETBKMMO-XJFCNFDWSA-N 479.543 5.324 50 1 JKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@H](Br)C(C)(C)O 2356332898 LGDQHJXARMHVRI-QBYKVAOYSA-N 466.298 5.754 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356480652 LHIOARNVSADKCD-PZXNIVHWSA-N 474.726 6.852 50 1 JKGF C=C(C=CC=C(CC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1OC)CCC=C(C)C 2356731189 FJMSYPZPFIHYMV-ILNWVHSXSA-N 498.748 7.042 50 1 JKGF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)N(CCCl)CCCl 28521624 DGPFERVXJQALKC-WAYWQWQTSA-N 484.376 5.170 50 1 JKGF CCCCC[C@@H](NC(=O)CCC)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCCCC)NC(=O)CCC 36330296 NMRBYFIBVCAQJV-FGZHOGPDSA-N 496.733 5.839 50 1 JKGF C/C(C=O)=C1\CC[C@](C)(O)[C@@](C)(CC/C=C(\C)CC/C=C(\C)CC[C@H]2OC2(C)C)[C@@H]1CCCO 238744386 FLUNPFSKRUNRAS-DFBNSUNZSA-N 474.726 6.852 50 1 JKGF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 587030247 BWXIIOIFZBLWEW-IXIHQHOXSA-N 496.552 7.347 50 1 JKGF Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc2c1 587251488 GAXAICWQCMRCHX-UHFFFAOYSA-N 464.257 7.385 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320955 HQSIBBRGWIXFAV-PWJBXEHMSA-N 475.741 6.223 50 1 JKGF C[C@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323914 URJPGRFWGXLWFP-LADGPHEKSA-N 455.323 5.743 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325894 HLWDGEODDHANSC-HOFKKMOUSA-N 481.951 6.009 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337838 WAJPPMDLFHUDCM-VKCVVMHYSA-N 459.286 5.708 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCC3=CCCCC3)c1C)CC2=O 587459988 JXVWEZVKCIBEGJ-HHHXNRCGSA-N 456.026 6.753 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccccc12)[C@@H](Cl)c1ccccc1 587543128 JDWXVBOQHJQKSR-FMYROPPKSA-N 481.935 6.711 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545961 UHZXCEKFSKUYFX-NEKDWFFYSA-N 482.875 5.221 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587712799 QOMNLPOXKZBARD-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cc2c(cn1)[nH]c1ccccc12 1857632121 QBYIWWNWCMXCQV-IPPBACCNSA-N 454.917 5.712 50 1 JKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 1911582037 YKSBFBSHBBLBBW-IISNYHHCSA-N 495.012 5.559 50 1 JKGF CC(C)=CCCC(C)=CCC[C@@]1(C)[C@H]2Cc3cc(C(=O)O)ccc3OC=C2CC[C@H]1Br 2356451000 QVXPDENFBGGWAY-RELGLDOUSA-N 487.478 7.856 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)[C@@H](C)CCC(=C(C)C=O)[C@H]1CCCO 2356652636 KGNYOYQNEUDLHE-BPYIEZMESA-N 458.727 7.497 50 1 JKGF CC(C)=CCCC(C)=CC[C@@]1(C)[C@H]2Cc3cc(C(=O)O)ccc3OCC2=CC[C@H]1Br 2356796821 NNOODFWZCDRSHA-FBILRYNDSA-N 473.451 7.119 50 1 JKGF O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(Cl)c1 13492731 WOVUHAMJFHEKQY-VFLNYLIXSA-N 487.865 5.711 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCOc3ccccc3-c3ccccc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 44069986 JFMXQDASGVDHDU-VRCSGWEWSA-N 478.629 6.416 50 1 JKGF CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587087275 NRSLDCOFGNXOFB-OAHLLOKOSA-N 494.308 5.567 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)CC2=O 587462345 YMVWOXOFOBBYSV-VWLOTQADSA-N 468.937 5.760 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682544 CQIMFUBAICQEGF-WBPRFABPSA-N 481.837 5.062 50 1 JKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl 587685868 BLEICVWKOIRPEN-WHEQGISXSA-N 487.240 5.952 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 587856706 YYQWQYSXHFNQGF-DFFZLKDPSA-N 486.410 5.325 50 1 JKGF Cc1ccc([C@@]2(CCCCCCCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962980543 UZDYLVPIPIIFFT-WMZHIEFXSA-N 456.360 5.958 50 1 JKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(c3ccc(F)cc3C[C@H]3CCCN31)c1ccccc1C2=O 963099868 JZOZPWJPYAKDTN-XGCWNURASA-N 495.381 5.513 50 1 JKGF BrCCc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963816631 GCQHXMVJVJVSDJ-VWLOTQADSA-N 461.403 5.919 50 1 JKGF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCBr)OCO2 1662764 SQENEFJLFQRMKV-VGOFMYFVSA-N 498.373 5.262 50 1 JKGF CN(C)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 45286025 UISGVRQJFRZBKN-LQKURTRISA-N 478.512 5.121 50 1 JKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103236513 RZKNLQVTPXIUFD-NCIHQIAMSA-N 491.716 7.200 50 1 JKGF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587137310 YXCGJKTWUPLJCI-UHFFFAOYSA-N 451.617 7.442 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319395 BBZTYGPZTNHUSU-AZGAKELHSA-N 499.376 6.360 50 1 JKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499542 VFNMIOWIXQLBBN-HOFKKMOUSA-N 470.009 5.644 50 1 JKGF COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587538174 CTWLIYPSJZVKBB-UGKGYDQZSA-N 475.722 5.259 50 1 JKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl 587685870 BLEICVWKOIRPEN-XMHCIUCPSA-N 487.240 5.952 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689776 WAMLOGOUGXJHAO-LMKMVOKYSA-N 489.860 6.629 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 587722525 SDSTZESFLOYIDP-TWOIEQCOSA-N 477.162 5.622 50 1 JKGF Clc1cc(Cl)c2c(c1)[C@](CBr)(c1ccccc1I)NCC2 963117077 CIHJZRNOCQMVIX-INIZCTEOSA-N 497.001 5.382 50 1 JKGF COc1ccc(C2([C@@H]3CC(=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)SCCCS2)cc1OC 1772645124 RLHUTOGLAZWVIM-YLJYHZDGSA-N 484.756 5.680 50 1 JKGF C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3C[C@H]12 1911579145 KFZMMZGJJTWWCC-WCADHIDISA-N 450.517 5.321 50 1 JKGF CC1(C)CC(=C[C@H]2[C@@H]3[C@@](C)(O)CC[C@@H](Br)[C@@]3(C)C[C@H]2O)CC[C@H]1Br 2356551035 YBUXHLOZPRIUQN-FRVYXANDSA-N 464.282 5.198 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)OO 2356621000 KZGHWXGDVVHWOC-LJBZTILCSA-N 474.726 7.206 50 1 JKGF O=C1[C@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 1660610 QFQFIQWWLKOPSY-HZPDHXFCSA-N 474.544 6.139 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC)CO[P@](C)(=O)F 44418325 CDHQVIDRFGTHFA-FNYXJSHISA-N 450.572 7.391 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054202 CYOCEXFTNXKMJM-VGOFMYFVSA-N 487.188 6.499 50 1 JKGF C[C@@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323916 URJPGRFWGXLWFP-VWNXMTODSA-N 455.323 5.743 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@H](C)Cl)CC2=O 587459246 NNQWJUQRYLWWGL-QIPPXTIRSA-N 451.346 5.365 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Cl 587571216 ZYLIOZOCFHOSPE-GHTZIAJQSA-N 463.686 5.437 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](Br)c2ccccc2F)N1 587730655 XGPASABIMDNMMI-WFRWYCSKSA-N 471.183 6.003 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587857789 UXUITDKIEIOOFS-KWBKUZQRSA-N 478.818 5.534 50 1 JKGF Fc1cccc2c1[C@](CCCCCCCl)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1C2 963102591 NBFVHPCGCLTIAR-URXFXBBRSA-N 453.951 7.298 50 1 JKGF CC(=CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OCc2ccccc2)OO1)CCC1=C(C)CCCC1(C)C 2356422730 UIDHZKHZBWBCMB-KSWBWTIQSA-N 482.705 8.269 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356780300 SAHIKVQGOJYFEX-XGPOCZNESA-N 470.738 7.353 50 1 JKGF C[C@@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=CC(N)=C1C#N 40812510 UGUZWYXMNSKATR-MRXNPFEDSA-N 456.228 5.816 50 1 JKGF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)c1-3 72178259 DBDQKQSAUAJXCP-NOZRDPDXSA-N 480.743 6.549 50 1 JKGF Clc1ccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)cc1 96272506 BDVXUKAIEGCZSB-GOSISDBHSA-N 477.193 5.834 50 1 JKGF COC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587054779 ITWAFTVNENQXMW-YVLHZVERSA-N 465.340 6.128 50 1 JKGF Cc1cnc(Cl)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587056790 RPCBFMWXTSULBH-NVNXTCNLSA-N 456.764 6.698 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587497488 CLJYIAMLEBIVAF-HXUWFJFHSA-N 450.170 5.584 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C 587688215 JSKKNAZJPBLOGC-FPTDNZKUSA-N 455.843 6.069 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Br)cc2)N1 587845876 OOBGCHAPPGBBES-ZMZPIMSZSA-N 470.205 5.343 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963107860 SZMJKGJHLNJXLH-SSPYTLHUSA-N 459.403 5.468 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C)OO 2356620997 KZGHWXGDVVHWOC-BUEPFAEBSA-N 474.726 7.206 50 1 JKGF O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN/C=C1\C=Nc2ccccc21 13119179 BJILWHFTICYZOB-QGOAFFKASA-N 489.651 5.454 50 3 JKGF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@@H](Cl)c1ccccc1 27984660 MRCDCNKAWBERBK-STLDHJCVSA-N 457.035 5.528 50 1 JKGF C[C@H](NC(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 28356031 CYJAPUXOLJZXBO-DXWBQHEBSA-N 474.564 5.255 50 1 JKGF CC[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(OC)c(N(CCCl)CCCl)c3)coc2c1 84668592 KMIKZQYHROKGQS-MRXNPFEDSA-N 464.389 5.930 50 1 JKGF CC(=O)NCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325390 DTDLQLDMIZNQGA-VPUSJEBWSA-N 481.951 5.093 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325429 FMJYPELEWVDORE-KCWPFWIISA-N 481.951 6.009 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc3ccccc23)N1 587671770 ANPKERLUCZENIH-ASSNKEHSSA-N 463.188 5.914 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674060 SKDWXBFCXAEXNC-YBTHPKLGSA-N 466.192 5.551 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 587679353 LTTHGRUYUUYLNR-YRUZYCQGSA-N 461.600 5.756 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587686359 UNFDKJSFFHEWFO-MCMMXHMISA-N 460.778 5.738 50 1 JKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857600761 RTWIOUGYWIHZBA-QGZVFWFLSA-N 490.372 6.003 50 1 JKGF CC(=O)N=C1C=CC(=C/C=C2\Sc3ccccc3N2CCCCI)C=C1 377838562 HUIXVZTYGFKDJT-UHHPYROISA-N 476.383 5.695 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 586910294 OEAFWHBFWLVZEV-HXUWFJFHSA-N 452.489 6.870 50 1 JKGF COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl 587325958 ILVDPZSDUONQEN-ILBGXUMGSA-N 456.897 5.562 50 1 JKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587416863 FZRUMKHSLJOLER-KCWPFWIISA-N 465.977 5.247 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc([N+](=O)[O-])c1 587497865 LIYMZJLKSDSPNW-AREMUKBSSA-N 464.949 5.981 50 1 JKGF CC(C)(c1ccccc1)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538629 QJGPHOACHJFWAS-GBXCKJPGSA-N 453.332 5.465 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1c[nH]c2ncccc12 961779756 VHROTHRCNYOEBX-RUZDIDTESA-N 452.986 5.197 50 1 JKGF Fc1ccc2c(ccn2CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 1857537425 VIJPYYDPXKSTSC-UHFFFAOYSA-N 466.560 6.945 50 1 JKGF C=C[C@](Br)(CBr)CC[C@H](Br)C(C)(C)Br 1635417 QTOSBTPZXCUHJE-WCBMZHEXSA-N 455.854 5.418 50 1 JKGF Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl 587324143 WIILDDMPNLUGPW-GMAHTHKFSA-N 475.741 6.142 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 587379598 YXDLQVZSOQJCNG-VPUSJEBWSA-N 496.003 6.553 50 1 JKGF Nc1cc(Br)ccc1[C@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540905 RTVLANMCPZZEEC-KNQAVFIVSA-N 474.738 5.223 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587710260 RAHMSANDPPSCMW-HUTHGQBESA-N 450.657 5.307 50 1 JKGF Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587715310 HJFCRCREVHROPJ-WLRWDXFRSA-N 493.161 5.671 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587849521 AIIMKJZXPUHWJA-PPBYMMPGSA-N 489.838 5.057 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c(CBr)cccc12 587876804 NZXQZLPXNNNKCC-UHFFFAOYSA-N 461.186 5.752 50 1 JKGF O=CC1=C(Cl)[C@H]([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)CCC1 963035041 ZVYKALNMGHUMJO-MEKIYTOJSA-N 497.378 5.506 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1ccc(Cl)cc1Br 963602661 AMCKBDKNWHFDEY-NSPYISDASA-N 489.635 5.292 50 1 JKGF C[C@H]1C[C@H]1[C@H](C)C[C@H](O)[C@@](O)(CCl)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356495865 IDJFQGHMTPJXRG-VHKYJYPRSA-N 495.144 5.198 50 1 JKGF CCCCCCCCC=CCCCCC=CN(NC(=O)COC)C(=O)CCCCCCCCC 2356766389 CLBJKVAZUKTENE-UHFFFAOYSA-N 478.762 8.014 50 1 JKGF CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 1437036 HFKBYHDNFZKCMU-GPMSIDNRSA-N 472.941 5.327 50 1 JKGF Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCCCCCCCCCCBr 26382811 LWYQXEZBLSHBMQ-UHFFFAOYSA-O 471.507 6.855 50 1 JKGF CC[C@](C)(c1ccc(O)cc1)[C@H](CCCCN(CCCl)CCCl)c1ccc(O)cc1 29327919 OIOUOLBSIHEBBW-JWQCQUIFSA-N 452.466 6.499 50 1 JKGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1ccc2ccccc2c1 299822517 ASIOLDDXLKQPAF-UHFFFAOYSA-N 475.592 5.931 50 1 JKGF C[C@H](SCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586963691 QFYQDXMKFZYLJY-JTQLQIEISA-N 473.330 7.977 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(N)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054004 BHTKEXHZBDNZJR-SXGWCWSVSA-N 450.329 5.440 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056897 SMJJVQNGHPEPHW-UYRXBGFRSA-N 494.426 6.282 50 1 JKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063208 IFJUVFKIDFYSBH-UHFFFAOYSA-N 460.855 8.120 50 1 JKGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587329058 WWCDDBMSMZBWNH-OZXSUGGESA-N 479.891 5.292 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)CC2=O 587449949 CPKIETXKCWUPSK-QPPBQGQZSA-N 474.395 5.583 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2)cc1 587539459 WNMYQCZMKBZAND-RDGATRHJSA-N 480.358 5.244 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 587686969 FAHNXJQBVSKIJW-GIPWTMENSA-N 452.755 5.000 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 587715262 XSIRXQUWPZQHOX-BBATYDOGSA-N 459.306 5.599 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(Br)c1 587897125 VHWIODWEZOTZCN-UHFFFAOYSA-N 454.176 5.201 50 1 JKGF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587929190 GYZRPDNEGNIHOH-KZULUSFZSA-N 483.300 7.437 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C)OO 2356559041 VNMYLOSUYWAAHM-JHCJGMTASA-N 476.742 6.998 50 1 JKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21CI 40510673 AYRRINOWVUOXIX-HMVDEDFUSA-N 498.533 7.414 50 1 JKGF O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(-c2ccccc2)ccnc1CCl 71316541 RRGKJCLXDVRZFZ-UHFFFAOYSA-N 472.816 6.455 50 1 JKGF CCc1ccc(CN(SN(C)c2ccccc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103169882 ZUXRVGJBEGGTKF-UHFFFAOYSA-N 475.702 7.223 50 1 JKGF Fc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)nc1Br 587155066 JBDPMVHHNYMPNR-UHFFFAOYSA-N 497.056 6.946 50 1 JKGF COc1cccc(-c2cc([C@@H](Br)Cc3ccccc3F)nc3c2oc2ccccc23)c1 587359669 FWKQWSVKDJJVEA-NRFANRHFSA-N 476.345 7.474 50 1 JKGF C[C@@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537818 KONBYSFVTNEPQI-REWPJTCUSA-N 455.304 5.043 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 587674152 TXRRAEUKQKPDDZ-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587685064 RYXSIWPWWSZTNJ-MCFWBGNESA-N 484.752 5.338 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCCCCCl)(c2ccccc2)N1 963173951 ACFYUCNFIHSKSR-AVRDEDQJSA-N 474.350 6.391 50 1 JKGF C=C(C)[C@H](OO)[C@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356455627 BEXKXFSUDVVSFA-SRGZSZHOSA-N 460.699 6.218 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)cc1 169317064 PQILQYSSOBRXTK-KXTAGPOFSA-N 493.438 6.164 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 221817019 DQXSGSIJXJWQFI-JOCHJYFZSA-N 482.424 5.971 50 1 JKGF CCC(C)(C)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586880090 CGKMQPYFCPBQRR-UHFFFAOYSA-N 469.317 8.337 50 1 JKGF COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587320066 DNBJUOBOSRALRP-JTHBVZDNSA-N 457.295 5.189 50 1 JKGF CCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320350 FNMOTTSOLUJMQR-LADGPHEKSA-N 455.323 5.743 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323509 REJJXWAYMPKBEN-RSXGOPAZSA-N 483.377 6.379 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 587327985 AEFAMKATXFWXMU-SIKLNZKXSA-N 481.239 5.598 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F 587340575 YHXUYNNLDFUQNP-IAPPQJPRSA-N 493.937 6.571 50 1 JKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415328 RCWTYCKDFVEQRQ-MHZLTWQESA-N 495.044 5.912 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 587855898 KOBVYMURXBJSIY-PCDXPPIWSA-N 499.236 6.163 50 1 JKGF N#C/C(=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 587883664 RMKNGTCWJSGTKS-HYARGMPZSA-N 479.794 6.421 50 1 JKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@@]12c1ccsc1CCN2Cc1ccco1 962710159 LDMKNTGZJXUNQX-AHQATDLNSA-N 495.604 5.048 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(C(=O)O)cc2)C1=O 1857655803 WNORIFUMYDSPFG-NRFANRHFSA-N 492.572 5.331 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NCCCCNc1c2c(nc3ccccc13)CCCC2 13607671 IEBFRRATFZBOGS-IBGZPJMESA-N 457.709 6.136 50 1 JKGF Cc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3C[C@@H](Cl)c2ccccc2)cc1 13675518 YSKPNHYKNAVNFS-XMMPIXPASA-N 477.008 5.940 50 1 JKGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45257467 VWGOFNVXZMURPY-QHCPKHFHSA-N 493.991 5.307 50 1 JKGF N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933487 ZIXKJYABEQAWKV-JWQCQUIFSA-N 491.938 5.564 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518728 VWDQEBUKNUUKCP-HNVUPHGUSA-N 464.514 5.461 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1 587319835 DDHVOFJDJDXYST-RBBKRZOGSA-N 496.159 6.487 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323323 QSVYQVHPLSKMED-UIJXRGEYSA-N 497.404 6.867 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587497507 ITPNPMDMEPPPSX-XRHLQHRESA-N 468.424 7.114 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587950967 PIPVQDOWYCBXSL-UHFFFAOYSA-N 487.332 7.468 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@H](C)C2 962629560 PGUKNKWUHYGJKC-IVZQSRNASA-N 457.920 5.741 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963168132 GBHCMSYQTZTKIM-WMLWOHAOSA-N 480.683 5.124 50 1 JKGF O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NN/C=C1\C=Nc2ccccc21 38160603 SUTRLKGBUBBPOL-OBGWFSINSA-N 486.988 5.058 50 3 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586976034 SFYHQWWEZIYIRA-UHFFFAOYSA-N 468.072 7.957 50 1 JKGF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587014155 HOXHCGPYXLBYAO-UHFFFAOYSA-N 451.873 7.973 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccnc(Cl)c2)[C@@H]1c1ccc(F)cc1 587324524 ZZZSGWSILFHXBZ-TZIWHRDSSA-N 462.702 5.229 50 1 JKGF O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379297 XVKFXCVGAGRBTQ-WEYGHZABSA-N 491.334 5.085 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587674068 SLAKHCXMAQTTIF-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF CC/C(=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 587967081 KSGIMCPQWWEJBR-WQLSENKSSA-N 467.301 8.242 50 1 JKGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)NCCc2cccc(-c3ccccc3)c21 962666631 KMBYLGOPKWHJCR-ZEQKJWHPSA-N 464.396 5.043 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963170207 ISHNFZRFLMMERW-QIGVCLAPSA-N 497.138 5.591 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1c(F)ccc(Br)c1Cl 963225514 FDCPZKFPCMIGNY-ZUOKHONESA-N 489.654 6.537 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(C#N)cc(-c3cccc4ccsc34)c1)(C(C)C)C(C#N)=C(N)O2 1772590634 QCPWCZKASIKFDA-SANMLTNESA-N 451.555 5.500 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)[C@H](C)Cl 35246481 GNLMRVPBBDXJBL-BVZFJXPGSA-N 484.427 5.823 50 1 JKGF in-vivo O=C(CCl)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72177103 HLBAFZYYUJKPQF-OCOZRVBESA-N 499.711 5.811 50 1 JKGF Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@@H]3c3ccccc3)c2C#N)c1 96933508 ZNMLHRMEJMKBPU-FTJBHMTQSA-N 489.966 6.167 50 1 JKGF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 137682862 BRCSFJAWHNPAMY-ITCPKTLZSA-N 465.118 6.002 50 1 JKGF C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(CN(CCO[Si](C)(C)C(C)(C)C)C1)[C@H]2C(=C)C3=O 214541035 FMKZWOAJZHSHDR-VHVZNWNQSA-N 483.769 5.797 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324745 UCQJJTVHXJGAOO-ZDXQCDESSA-N 469.306 5.114 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 587328655 JUEMBZWODPFJMJ-RBBKRZOGSA-N 495.266 6.199 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O 587461820 UKUGMZBQAFDBAI-NVQXNPDNSA-N 473.997 5.424 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 587715222 XIVIJLLMCSEKIG-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 587722653 ZJVFXEFITRODPB-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587855056 TWYFJGYESBNDFQ-GIPWTMENSA-N 468.823 5.469 50 1 JKGF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]1)(C3)C2 587970018 XANVXNPJOMYBJP-JIIRDLKHSA-N 471.289 6.630 50 1 JKGF C[C@@H]1C[C@@]2(CC(C)(C)OO2)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@]46CC[C@]3(C)[C@H]12 2356686867 WJZVKNGHNMFBJT-FDTGMKSUSA-N 470.694 6.856 50 1 JKGF O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc(COc2ccccc2-c2ccccc2)cc1 13140408 NYGXQLDXLKUZPF-VEILYXNESA-N 451.482 5.605 50 1 JKGF CC(C)C(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 27984588 QPGXVBIEYYWPND-QVIHXGFCSA-N 453.346 6.155 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43382147 UYVDOKQPXXNEHL-AGICHSQBSA-N 457.611 5.007 50 1 JKGF C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 96934055 LVUNKWKXQCVJFT-MMKMLUHNSA-N 497.263 5.571 50 1 JKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 100783661 YKSBFBSHBBLBBW-BLFUGAISSA-N 495.012 5.559 50 1 JKGF CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@]15CC(c1c(Cl)cccc1Cl)=NO5)[C@]42OO3 473152729 VUCCPXSMJANWAO-JAAGICQRSA-N 484.376 5.075 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc3cccc1c23 587102794 FREZAIALIBOIRW-KRWDZBQOSA-N 468.272 6.542 50 1 JKGF C[C@@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323915 URJPGRFWGXLWFP-UPVQGACJSA-N 455.323 5.743 50 1 JKGF CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326499 LQHXUFIXYBROLJ-RSXGOPAZSA-N 467.924 5.003 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F 587340585 YHXUYNNLDFUQNP-IXCJQBJRSA-N 493.937 6.571 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)O2 587383857 HEMQRUIWYIDGEC-IGKIAQTJSA-N 496.966 5.197 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 587542288 GLDNKSRCYDQWFJ-BBSHIGFISA-N 464.989 7.123 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 587673091 KGALSUOZPQSVRA-AIYSXCBHSA-N 489.226 6.502 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587686478 CWMCSHBTKGRIIM-QPFGOUBPSA-N 472.012 6.477 50 1 JKGF CCCCCC[C@H](CC(=O)CCSSCCC(=O)C[C@@H](CCCCCC)SC)SC 2356786605 AZOVWVATFRLOMZ-DNQXCXABSA-N 494.898 8.470 50 1 JKGF N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@@H]1c1cccs1 104010238 JNZPQCQEUPSDFQ-FQEVSTJZSA-N 455.992 6.043 50 1 JKGF C[C@H](CCC(F)(F)C(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@]21C 195518146 ZFWQCKSSHUJFRW-UYQRBQDHSA-N 468.625 6.124 50 1 JKGF Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587322919 PQXHKSJZTJVZDO-DHLKQENFSA-N 481.317 6.235 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587326299 KLNSSWZPVJUEAH-YZNIXAGQSA-N 497.953 7.173 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 587328592 VFKVOMWQDLJHHA-LMSSTIIKSA-N 489.974 6.491 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2)N1 587673826 QOBKWMXQSVXLEA-QGHHPUGFSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2)N1 587674244 VIBRTARYGQUTDU-BTDLBPIBSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587677913 AXWWSGAOZXOOCF-LFVRLGFBSA-N 458.758 5.793 50 1 JKGF CC[C@H](C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675579 UTISTWYMOBJQNI-CYFREDJKSA-N 477.008 6.021 50 1 JKGF N#CCC1=C(C#N)CC(c2ccc(Br)cc2)=C(CC(=O)c2ccc(Br)cc2)O1 71330455 LPDZMJMNTXAOBH-UHFFFAOYSA-N 498.174 6.307 50 1 JKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C(=O)OCCCCBr)cc1OC2(C)C 223585526 VYUSQGGKDIDBKD-QZTJIDSGSA-N 465.428 5.999 50 1 JKGF C=C(C)[C@@H](O)CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 238789410 MUVCLXZNRJJIGV-QGPPTOTCSA-N 497.415 5.053 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054296 DYZQPGFOTDCRKA-OQLLNIDSSA-N 486.200 7.104 50 1 JKGF O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499427 STMPAYIPRFLHNY-NDEPHWFRSA-N 459.973 6.042 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1F 587542605 AIBCOUNEQCZZCP-WIYYLYMNSA-N 497.238 5.802 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC(C)C 587546800 XRBMYVNJBTVACC-OZXSUGGESA-N 453.966 5.953 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587729910 DYYDTYNMUDUWOH-NPMABZOXSA-N 479.796 6.151 50 1 JKGF C=C(C)C(=O)CCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356466229 YAMAETJPGJWVHQ-BTZRARBUSA-N 495.399 5.261 50 1 JKGF C=C[C@](CC[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3)(OO)C(C)C 2356732289 KTUQYPNOLWLYHP-XHYBRAPSSA-N 474.682 6.476 50 1 JKGF O=C(OCC1CC1)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675585 RSFJTXQCOHGQNZ-DEOSSOPVSA-N 474.992 5.633 50 1 JKGF 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@@H](Cl)[C@@H]1O 38791895 YBTPGKMEEDFQBI-FQKVRLMOSA-N 451.091 5.922 50 1 JKGF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCI 40390821 KOHVJRAXSGONGW-DOFZRALJSA-N 457.440 6.683 50 1 JKGF in-vivo C[C@@H](/C=N/NC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccc2ccccc2c1 49047185 IDWYIKKBWIELGO-JZCUADNKSA-N 452.352 5.227 50 1 JKGF Cc1ccc(/N=N/[C@H]2S/C(=C(\C#N)c3nc4ccccc4[nH]3)N(c3ccccc3)C2=O)cc1 73315387 NJOLMMXUKOZVGE-VKWZYBHESA-N 450.527 5.954 50 1 JKGF Fc1ccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)cc1F 96907505 MKZZUHLLVBWUKP-INIZCTEOSA-N 478.728 5.459 50 1 JKGF CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@]31OO2 101499088 LZEZMYBERCJAAF-CEEXDPSZSA-N 467.562 5.967 50 1 JKGF CCN(CC)Cc1cc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)ccc1O 167720138 DAFZSWJVXVPHNB-UHFFFAOYSA-N 457.611 5.650 50 1 JKGF in-vivo O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1 587271774 IKEOULXMRDQAQX-UHFFFAOYSA-N 457.380 7.588 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587320937 BWDWGHFNUXKOOJ-FYYLOGMGSA-N 475.741 5.873 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)O2 587370439 BIDMPVIHBSVQMM-FQEVSTJZSA-N 482.161 5.795 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546939 YXIAQOGNBANCJD-YIXXDRMTSA-N 454.865 5.657 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1C(F)(F)F 587550365 VBQRFGAQIJDWOD-NQIIRXRSSA-N 497.238 5.802 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672562 GLSAOFHMFCIVIB-RNODOKPDSA-N 471.208 5.548 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727931 QFRBPHKWQNAXNK-JCQPUDPBSA-N 479.796 6.151 50 1 JKGF O=C(O)c1cc(NS(=O)(=O)c2cc(Br)ccc2O)cc(S(F)(F)(F)(F)F)c1 1857572275 AAJCYJCNQUYQTH-UHFFFAOYSA-N 498.245 5.311 50 1 JKGF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C\CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 27302191 CUWJDZXEDIUEEW-ULBXKDFISA-N 486.737 6.325 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccc2c(c1)OCO2 64447511 BRZUUABUFBXHOW-JOCHJYFZSA-N 457.536 5.394 50 1 JKGF CC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2O[C@H]([C@@H](O)C#C[Si](C)(C)C)C[C@H]2O1 195477259 DEWRPLOYTYQCKN-UPBXVLEXSA-N 452.784 5.290 50 1 JKGF Fc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 299859219 FMSOZEKXLIPXKV-OAQYLSRUSA-N 468.001 6.724 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(CCc2ccccc2)[C@H]1c1ccc(F)cc1 587323365 QWSUFJFJTAIZIL-UPVQGACJSA-N 455.323 5.657 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1OC(F)(F)F)CC2=O 587464149 JPQGMWOWXOTQNV-IBGZPJMESA-N 459.258 5.499 50 1 JKGF CCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671894 BFTVRKNUPZKZLR-RBZFPXEDSA-N 455.209 5.713 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 587685238 OQZJERBLEIJLAG-ASSNKEHSSA-N 453.783 5.343 50 1 JKGF COC(=O)Cc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587783166 HCILTOPPGOPHOA-UHFFFAOYSA-N 471.245 6.365 50 1 JKGF N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933481 GBEAHOIFAVNWLW-LOSJGSFVSA-N 491.938 5.564 50 1 JKGF COc1ccc2cc([C@H](C)C(=O)NNC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 103190128 QVLQHVXMZZJHPD-HDICACEKSA-N 456.542 5.065 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057770 WQFXGNSJQMURMW-VGOFMYFVSA-N 487.188 6.499 50 1 JKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587417367 LYQZNWJFYKIWGU-GJZUVCINSA-N 451.950 5.383 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587670962 NADUCZWMSQVCME-CRTZDJKQSA-N 475.627 6.111 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnc3cc(CO[Si](C)(C)C(C)(C)C)oc3c2)N1 962943857 DDJUPKIMUUXVHQ-HMILPKGGSA-N 475.709 7.019 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)cc2C3=O)OCC(C)=CCC1 2356800164 PTNYYODJBDDUKA-WVQWTBLQSA-N 479.400 5.749 50 1 JKGF CCO/C(O)=C1\C(CSc2ccc(OC)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802491 INSOHVGJKVCNCT-KXZZPGAFSA-N 488.531 6.648 50 1 JKGF C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H](/C(C)=C\C(F)=[S@@](N)(=O)c4ccccc4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O 169727117 UIFOLWDAQYHLJX-FGHHYOEOSA-N 499.692 5.390 50 1 JKGF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587044268 YKXZVILROQKGHE-LLVKDONJSA-N 494.349 6.603 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O 587461210 RADJRPJBKOPBOA-SANMLTNESA-N 484.379 6.084 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587498907 JYOMNHNDDDSHRU-SHACYNPGSA-N 454.364 5.094 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(Br)Br 587615334 WDEZQKCSZLIKNX-KXBFYZLASA-N 496.176 5.427 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)c2ccccc2)N1 587673667 PAWJUQQDFGPGAQ-XCLFUZPHSA-N 455.209 5.690 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(Br)cc2)N1 587676690 FJUWHNRQLLKTOS-ADLMAVQZSA-N 461.600 5.562 50 1 JKGF CC(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc1 653710218 RTRKIKQPHZJWHN-HXUWFJFHSA-N 464.416 5.719 50 1 JKGF COc1ccc2c(c1OC)[C@]1(CCCC[C@@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962721900 XVEHRXNYCPYVRG-WMZHIEFXSA-N 467.915 5.798 50 1 JKGF Cc1cccc([C@@]2(CCCCCCCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c1 963193164 LBEIUSCEXYXEDR-IHLOFXLRSA-N 457.061 7.551 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc2c(c1)C(C)(C)CCC2(C)C 963244399 WONDTBGYXJQOQE-WTYVLRPYSA-N 468.523 7.331 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356492728 BJRGCOCQXMDCDB-WRPXMVFYSA-N 464.282 5.364 50 1 JKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@@H]1C 2356684529 RKPLHWCOJKGGMT-HZVPBQBQSA-N 458.595 5.124 50 1 JKGF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@](=O)[C@H](Cl)c1ccccc1 118930373 MRCDCNKAWBERBK-OTWIURSJSA-N 457.035 5.528 50 1 JKGF CC(C)(Cl)[C@H](Br)CC[C@@](Br)(CCl)[C@@H](Cl)CBr 195509017 WABYMNUXOPLVSB-KHQFGBGNSA-N 482.309 5.922 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(CCO)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054553 GDHKTPOLHHMBEM-LDADJPATSA-N 451.357 5.876 50 1 JKGF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587158727 GLEFGOPIROTPLA-UHFFFAOYSA-N 492.195 6.609 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324743 UCQJJTVHXJGAOO-WMTXJRDZSA-N 469.306 5.114 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)O2 587374668 PJVZXPZIWGSMOS-LFVRLGFBSA-N 460.368 5.173 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O 587417755 PVLOSJLKNAEDTM-RDPSFJRHSA-N 476.787 6.291 50 1 JKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587504195 GPQCRXKFMXXEKO-SQNHXIGHSA-N 478.995 6.068 50 1 JKGF CC(C)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587673139 KOHACUORGREWOD-XCLFUZPHSA-N 455.209 5.884 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685275 PFPWSRNRJUFPTL-LRTDBIEQSA-N 453.783 5.199 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F 587711170 WCYNYDOSLCIXKN-MLCYQJTMSA-N 467.732 5.585 50 1 JKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)c4cc(OC)ccc4CCN3C(C)C)c2C)cc1 962095480 ZBXLKDRQSBDNFD-MUUNZHRXSA-N 467.053 6.250 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1c(F)ccc(Br)c1Cl 963224953 FDCPZKFPCMIGNY-RNODOKPDSA-N 489.654 6.537 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)[C@H](CC(C)C)NC(=O)OCc1ccccc1 963607763 KDGSYAIPBNLAHA-QFMFQJCFSA-N 475.029 5.013 50 1 JKGF COc1ccc(Br)cc1/C=N/N1C(=O)C(C#N)=CC12c1ccccc1Nc1ccccc12 1857650132 PDINNYHMZDOQAF-RWPZCVJISA-N 485.341 5.085 50 1 JKGF O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(Cl)c(Cl)c1)c1ccc(O)c(Cl)c1 13492730 BIVBCXDPVMKWPL-KKMKTNMSSA-N 472.759 6.119 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)(C)C)CO[P@](C)(=O)F 95554838 CNYUFYQLPJSYRG-ZHFXREAZSA-N 492.653 8.560 50 1 JKGF C[C@@]12CC[C@@H](OC(=O)/C=C/c3ccccc3)[C@@](C)(C(=O)O)[C@H]1CC[C@]13C=C(C=O)[C@H](CC[C@@H]21)C3 238741167 SBFWUSGEBYHVOC-XCNHYEIESA-N 462.586 5.454 50 1 JKGF O=C(/C=C/c1ccc(Br)cc1)SSC(=O)/C=C/c1ccc(Br)cc1 473113307 FNWVCPXSZNWNBL-YDWXAUTNSA-N 484.234 6.373 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(C#N)c(C#N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056788 RLQOBIMRVCZDJV-WSVATBPTSA-N 457.324 6.085 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320207 FAVLGXUITQFEFO-ILBGXUMGSA-N 469.350 6.304 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587714521 ABXFXXIZPCMCFQ-QGHHPUGFSA-N 497.124 5.660 50 1 JKGF Fc1cc(CBr)cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962634394 HLXLOGJQFCBEEE-UKILVPOCSA-N 451.383 5.557 50 1 JKGF CC[C@@]1([C@@H](C)Cl)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962680691 RGDNFWVXJSSYGJ-JLCFBVMHSA-N 455.904 5.654 50 1 JKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCCCl)(c2ccccc2C(F)(F)F)N1 962695599 IVVMUDVXBKGSCQ-MJGOQNOKSA-N 483.811 5.725 50 1 JKGF Cc1cccc([C@@]2(CBr)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963841117 HLWDQFAVBFEVTF-NLFFAJNJSA-N 488.422 5.578 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(C)C(=O)C1=C(C2=O)[C@@H](N=N)C(=O)C=C1O 2356843922 NQTFQLKDNBYGBP-GGPXRAADSA-N 489.012 5.493 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 40393321 UYSHRHKOHCLBCE-IAIALIDKSA-N 486.693 5.724 50 1 JKGF COc1cccc(-c2cc(-c3cc(Cl)cc(CCl)c3O)nc3c2oc2ccccc23)c1 587357224 DYOOENNLJGOUDJ-UHFFFAOYSA-N 450.321 7.421 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1Br)CC2=O 587467828 SPYMSKVXRZUPRY-LJQANCHMSA-N 472.148 5.502 50 1 JKGF CC(C)(c1ccccc1)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538631 QJGPHOACHJFWAS-RDPSFJRHSA-N 453.332 5.465 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587544539 OAYPGQNTKSLVML-JYFHCDHNSA-N 463.917 5.548 50 1 JKGF Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587556261 NVWBHFUYSPGVPU-CVDCTZTESA-N 491.284 5.554 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(Br)Br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c1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135401 HYGBJLNYUIUASU-FOIQADDNSA-N 472.445 7.094 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324622 RZRVBFKMGCKIBN-STUVRUMRSA-N 453.897 5.371 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 587458136 GRCWUEBABUZYCU-JMGYQRAPSA-N 489.955 5.364 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538673 RCQBBMWTXSNOJI-HWBMXIPRSA-N 496.357 5.381 50 1 JKGF CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611581 GPKAELUILBAAAP-CPJSRVTESA-N 485.989 5.212 50 1 JKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587717884 LUTMELVMNYAQKL-AUSHCKSDSA-N 463.135 5.428 50 1 JKGF Cc1cc([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1-c1ccc2c(c1)CCC2 962697031 HMHWBBXRYFKRBI-FUFSCUOVSA-N 495.107 6.568 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)NCCc2c(Cl)cc(Cl)cc21 963106826 LOGMQIKKKHHQOW-UPCLLVRISA-N 491.256 6.745 50 1 JKGF CO[C@]12CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C1=CC1=C(C=O)[C@H]([C@H](C)CCC=C(C)C(=O)O)CC[C@@]12C 2356541684 WTJIREHJYGENBE-AEKWJPEVSA-N 496.688 6.476 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439030 ZGRAABYQGYPWLS-CCVNUDIWSA-N 482.964 5.529 50 1 JKGF C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]([C@@H](C)COC(=O)CBr)CC[C@@H]12 87613196 HZDZLOAWXHMZSL-LJLGJROPSA-N 451.445 5.731 50 1 JKGF Cc1c(F)cccc1-c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1 587135744 NOHUHDWQKYYKHO-UHFFFAOYSA-N 473.398 7.910 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587327725 RCZDEEPMNCNORY-LMSSTIIKSA-N 489.974 6.740 50 1 JKGF CC(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538086 NDVATVNYBQOOSH-QPPBQGQZSA-N 453.332 5.768 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546370 WIGUKKHPXNOCPO-QFQXNSOFSA-N 465.933 5.473 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1Cl 587554008 CIQKFPNAZYBJNJ-GHTZIAJQSA-N 463.686 5.437 50 1 JKGF C[C@]1([C@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567193 FYNGXUHTVBGODK-TXTKFYIRSA-N 457.295 5.258 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672579 GLSAOFHMFCIVIB-ZUOKHONESA-N 471.208 5.548 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587725187 CAAAOTRSYUOTBV-ZLOXQWCVSA-N 479.796 6.151 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Br)N1 587846590 UYTHHIHMWOSOTR-AYVTZFPOSA-N 498.053 5.585 50 1 JKGF COc1ccc2c(c1)[C@](CCCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C(C)C)CC2 962089617 HMRAIDYWZICJNN-DEOSSOPVSA-N 469.975 6.903 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc(OC(F)F)cc2)NCCc2cccc(-c3ccccc3)c21 962671197 STTKQPSTQVZASM-VOIUYBSRSA-N 458.346 6.128 50 1 JKGF C[C@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857605200 TVDJYVKVWWROPR-INIZCTEOSA-N 497.429 6.724 50 1 JKGF CC(C)=CCCC(C)=CCC[C@@]1(C)[C@H]2Cc3cc(C(=O)O)ccc3OCC2=CC[C@H]1Br 2356648945 UWOQPCLHJDMFFV-RELGLDOUSA-N 487.478 7.509 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C=N/NC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118921375 DDDDNCRMYGVJGZ-UYJLDYQPSA-N 462.634 5.913 50 1 JKGF COCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587327359 PODSFDBROJPKFT-NOZRDPDXSA-N 457.929 5.089 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674751 ZYYFJJIXKZQRME-LAJNKCICSA-N 494.202 5.724 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(Br)cc2)N1 587676693 FJUWHNRQLLKTOS-ZMZPIMSZSA-N 461.600 5.562 50 1 JKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(F)c(OC(F)(F)F)c1)N(C)[C@@H](C)C2 962637014 OEPBVGDNCVCXHL-YUNKPMOVSA-N 492.307 5.256 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962722048 YBOSLQCVCNWOJY-ZUOKHONESA-N 469.516 6.945 50 1 JKGF N#Cc1ccc([C@]2(CCCCCCCl)c3ccsc3CCN2Cc2cccnc2)cc1 962997738 TWGCZXQKLMVNAL-AREMUKBSSA-N 450.051 6.506 50 1 JKGF C[C@@H]1CC2=C([C@H](c3ccc4ccccc4c3)C(C#N)=C(N)O2)[C@@]2(C1)NCCc1cc(Cl)ccc12 963390855 NQJLYIITKFERIG-BKVVCWBQSA-N 468.000 6.026 50 1 JKGF CCOC(=O)C(C)(C)[C@]1(CBr)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818178 RXRUMTPYJPVZKQ-RUZDIDTESA-N 485.422 5.072 50 1 JKGF COc1ccc(-c2coc3cc(OCC=C(C)C)ccc3c2=O)cc1N(CCCl)CCCl 84714027 KOHHSBFUAAHMAP-UHFFFAOYSA-N 476.400 6.098 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H](/C(C)=C/CC[C@@]2(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)C[C@H]1O 138112743 DFJMIRLFDMBSHL-ZSRWWPQZSA-N 490.725 5.823 50 1 JKGF COc1cc(Br)c([C@H](N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC 586975681 PPGQYWYGILIFNG-HNNXBMFYSA-N 488.276 6.048 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056322 OXDRYMPPBSPZKN-VGOFMYFVSA-N 497.298 6.158 50 1 JKGF C[C@@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324200 XBOFZMXCWMFPKQ-VWNXMTODSA-N 471.322 5.579 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537832 KTIXTSMNUFSSMU-YNLFQQRNSA-N 494.341 5.230 50 1 JKGF CSc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1NC(C)=O 587615814 YYSMCBNQOFASTN-ZJSXRUAMSA-N 469.946 5.168 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2coc3ccccc23)N1 587673770 PVGCAJKVXITQEY-NSPYISDASA-N 453.149 5.507 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1 587689197 QVIMCFYIJLTVIU-SRMJIJMDSA-N 469.826 5.202 50 1 JKGF COc1cc2c(cc1OC)[C@@H](c1ccc(CBr)c(C(F)(F)F)c1)N(C)[C@H](C)C2 962570096 NDOZRHUFFFHPGD-MPBGBICISA-N 458.318 5.583 50 1 JKGF CCCCCN(CCC)NC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 1857564555 FZHJLGIWLRLJRQ-WUKNDPDISA-N 460.666 5.755 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356562325 UXUZTOWVOFDKQQ-IDZRBWSNSA-N 456.711 7.417 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 1660611 QFQFIQWWLKOPSY-JKSUJKDBSA-N 474.544 6.139 50 1 JKGF CCc1ccc(C(=O)N(SOC(C)(C)C)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103214365 XQAYFEWXYXLECU-UHFFFAOYSA-N 456.652 6.542 50 1 JKGF CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)OO 255225236 KZGHWXGDVVHWOC-ZRSAOFPNSA-N 474.726 7.206 50 1 JKGF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](Br)C2 587320804 BGRFHMYSEIDXAH-GPXNEJASSA-N 469.306 5.114 50 1 JKGF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O 587423800 WCXDPBQDWWTLHT-WDNCENIBSA-N 474.384 5.002 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587499916 WORGVQCCGWPRRP-GUNSETOZSA-N 485.967 5.585 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1cccs1 587531796 MHBODDNGHARCGK-AREMUKBSSA-N 454.035 6.387 50 1 JKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539340 VPPFSIKVGHNJBH-OYDLWJJNSA-N 453.332 5.669 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672220 FEZNAYWXVMDJEE-LHSJRXKWSA-N 484.251 5.607 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587678408 CACKCUYXVNTDIJ-FNODVLLQSA-N 484.752 5.338 50 1 JKGF O=c1c([C@H]2NCCc3cccc(-c4ccccc4)c32)coc2c(CCl)cc(Br)cc12 962664402 GMTRXNXBZFHEMW-HSZRJFAPSA-N 480.789 6.196 50 1 JKGF COc1cccc([C@H]2C(C#N)=C(NC(=O)NCc3ccccc3)Oc3ccc4ccccc4c32)c1 36380248 XNIWPEIKVYXQKN-SANMLTNESA-N 461.521 5.607 50 1 JKGF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586915445 NJUHIDDWOBYBSV-UHFFFAOYSA-N 456.392 6.989 50 1 JKGF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587260382 WOUBUZGUPCIMTM-HNNXBMFYSA-N 464.460 5.927 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587326363 LHGNOTCFNLJSOT-NOZRDPDXSA-N 454.881 5.186 50 1 JKGF COc1ccc([C@@H](Cl)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497297 ITHMIXDSNSIQON-VSGBNLITSA-N 462.973 6.423 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)c3ccsc3CCN2Cc2ccco2)c1 962705876 FXMNGXBQZSRLRQ-LADGPHEKSA-N 487.463 6.021 50 1 JKGF CC(C)=CC[C@H](C)C=CC[C@H](O)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356424049 PAQLRHWWLDIBHD-QSHKSBDLSA-N 474.726 6.468 50 1 JKGF CC(C)=CC[C@]1(C)[C@H](Br)CC[C@]2(C)CC([C@H]3Cc4cc(C(=O)O)ccc4O3)=CC[C@@H]12 2356801862 QXAUXPFZNRBTMA-XWIKPDKDSA-N 473.451 6.951 50 1 JKGF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@@H](c2ccccc2)[C@H](Br)C(=O)O)cc1 13756144 ULXYLNLYZUYLJG-PKTZIBPZSA-N 492.417 5.639 50 1 JKGF N#Cc1ccc(C(F)(F)F)cc1/N=N/N(C(=O)CCl)c1cc(C(F)(F)F)ccc1C#N 27986534 ORMPMFMRLNBBRW-ZQHSETAFSA-N 459.737 5.738 50 1 JKGF CCc1ccc(CN(SNc2ccc(C)cc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103168757 SENLUPDNPXSZNA-UHFFFAOYSA-N 475.702 7.507 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2Cc3ccccc32)[C@H]1c1ccc(F)cc1 587323289 QOULYIVRLFWWNH-ODGPQVTHSA-N 453.307 5.364 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 587326287 KBTDGFXKLJRCEM-ZCYQVOJMSA-N 454.881 5.186 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)CC2=O 587461770 SSZUGVULHWYHOW-WHLCRQNOSA-N 496.003 5.703 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1Br 587538690 FUTHNCQFUHFHPG-UGKGYDQZSA-N 459.723 5.337 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 587726473 IUXLGBOTXZDZFV-KRNUTZAJSA-N 493.617 6.136 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1N=C=S 587897237 XRZDTOAZGAAGNJ-UHFFFAOYSA-N 454.176 5.201 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2Cl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963208359 STNNVJKMXSKIFO-RIEVBORMSA-N 465.822 6.490 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C=O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 29558407 SIAXXLRTIQWSSZ-GBAXGDPSSA-N 480.689 6.787 50 1 JKGF Cc1c(C)c2c(c(Cc3cn(CCCCC[C@H]4CCSS4)nn3)c1O)CCC(C)(C)O2 45347767 GEKBZYGRDRNQRK-IBGZPJMESA-N 461.697 6.009 50 1 JKGF C=CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71316583 KUGSHLXNILNELU-UHFFFAOYSA-N 450.583 5.168 50 1 JKGF C=C(c1ccc(F)cc1)[C@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84652947 QUSFRWBCEGVWGG-NWRVWBJVSA-N 482.504 5.681 50 1 JKGF CN(c1ccncc1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 254077155 LKVSKJATYABJLS-IYARVYRRSA-N 453.608 5.450 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587023283 HQFBTNJFVKYEKI-UHFFFAOYSA-N 488.326 7.835 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673686 PHYDOGDWGZOKRH-LAJNKCICSA-N 494.202 5.724 50 1 JKGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587673937 RTVLOWXFUQMISJ-MGNBDDOMSA-N 477.599 5.423 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F 587712193 ZYZKQCMWKTYOGB-XTZNXHDOSA-N 467.732 5.585 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587719871 MCXWTCOBYFYROG-CQLKUDPESA-N 455.557 6.051 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@]23N[C@H](C(=O)O)Cc2cccc(F)c23)N1 962897802 LISYNSLENALQCW-TWLCBMPQSA-N 475.539 5.018 50 1 JKGF Cc1cc([C@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)n1-c1ccccc1Br 963113047 YXQIFHYSIJMMKM-CPJSRVTESA-N 487.844 6.499 50 1 JKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1CCCCO[Si](C)(C)C(C)(C)C 963141851 JURGCBVXRAHFCZ-IAGOWNOFSA-N 470.708 5.623 50 1 JKGF Cc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC(C=O)=C(n6cncn6)[C@@]5(C)CC[C@@H]43)C2)cc1 96933832 ZUDZAIOMSNWLFP-HURDLCFYSA-N 485.628 5.795 50 1 JKGF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587241540 FOCITZLDRJYTRI-UHFFFAOYSA-N 451.417 6.940 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320963 HQSIBBRGWIXFAV-YZCBWUASSA-N 475.741 6.223 50 1 JKGF COc1cccc(OC)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324492 ZRIGNOMVHIDJNH-ZJSXRUAMSA-N 487.321 5.198 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540392 ODXNXNZXDGCKRH-VCHGGQOGSA-N 459.723 5.639 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554178 JWOJCWJJRDSDPJ-BZGUAGMMSA-N 461.258 5.311 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 587673450 MWGCWLUUJPKSNX-LRTDBIEQSA-N 493.218 5.255 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587711490 KSYHUNPMCSJATF-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 587855310 UMSFMWXEAKFCEU-BLVKFPJESA-N 458.828 5.052 50 1 JKGF COc1c(C)cc([C@@]2(CBr)c3ccsc3CCN2Cc2cccn2C)cc1C 962372606 IYAXWKWVPFKJDT-QHCPKHFHSA-N 459.453 5.409 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23c2ccsc2CCN3C(N)=O)N1 962703597 DLZCIBZXHOBKSZ-ATIYNZHBSA-N 462.594 5.278 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)C=CCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356549743 JDISOLPITHCEHV-VAMFWQCBSA-N 456.667 6.798 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C(=O)O)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]12 13834895 LDDZXBTYKWMMPY-ZBALVXRESA-N 491.672 6.146 50 1 JKGF ClP1(Cl)=N[P@@]2(Cl)=N[P@](Cl)(=N1)OCCOCCOCCOCCO2 44052718 YXXZLWFIRYHKLU-GOTSBHOMSA-N 468.966 5.890 50 1 JKGF Cc1cc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(Cl)c(F)c4)c(=O)c23)ccc1Cl 73138931 OHZYVIMNTHDHCM-FLUNURKVSA-N 489.359 5.030 50 1 JKGF CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c(c1O)CC[C@H]1C(C)(C)CCC[C@]21C 195498889 OFVONZGMHQSJRV-ABYGYWHVSA-N 458.803 9.100 50 1 JKGF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](Br)C2 587320807 BGRFHMYSEIDXAH-ZDXQCDESSA-N 469.306 5.114 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334741 PTWNFXVCGRLRLW-FGVDXFBSSA-N 495.266 5.986 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538616 QESLPYPMHGWNQK-WIOPSUGQSA-N 482.374 5.490 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616560 DUUQQKYRNSOARD-VNOPPTIDSA-N 462.914 5.248 50 1 JKGF COc1ccc(/C=C\Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c1 587929683 OPLGILYDUBQDCO-ARJAWSKDSA-N 499.299 7.256 50 1 JKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962762014 IQQNPAVUFSPBRD-MDZRGWNJSA-N 478.711 5.346 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O 2356641262 KMWGWTNMXOQIAG-UHVTVOAQSA-N 466.662 6.224 50 1 JKGF CC(C)(C=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 2356657225 ZDBAOIAJPYOBJF-XRGPHHPMSA-N 490.769 7.388 50 1 JKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 103206963 UEZGWDQBBCJFJV-OAQYLSRUSA-N 488.385 6.048 50 1 JKGF CCCCC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 253637385 HGEAFZCTSYJOIK-UHFFFAOYSA-N 467.373 6.690 50 1 JKGF CCCCCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586974108 QPALGDPGMSUMSY-CQSZACIVSA-N 480.244 6.941 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071424 MVCPWPPWUZOOCL-WDZFZDKYSA-N 486.893 8.623 50 1 JKGF CC(=O)NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(C)CC1 587234600 RFWFQVGEKMLELQ-UHFFFAOYSA-N 476.309 6.524 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O 587415225 QPQOSHVLSHBPFT-IGKWTDBASA-N 469.762 6.128 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587690155 ZOVUYOPJRJHOSU-LTJFPGKXSA-N 479.821 6.053 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 587722523 SDSTZESFLOYIDP-IRKUAANASA-N 477.162 5.622 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3sccc3c2)N1 587856849 JDCCFKGWINLHGR-WLRWDXFRSA-N 469.217 5.976 50 1 JKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1ccc(Br)cc1 1772607751 HKOUHDHSSGSNKU-MZJWZYIUSA-N 479.765 6.158 50 1 JKGF NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586930635 UMKUCPXNCCTKBV-UHFFFAOYSA-N 492.289 5.438 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320135 DWCGITRZUAGWCV-RRPUWOKSSA-N 456.311 5.354 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O 587410991 ARHXUBCEYBZMLI-DWACAAAGSA-N 483.361 6.630 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542548 HKWPHNJZRYYOQJ-RLWLMLJZSA-N 465.933 5.473 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)cc1 587548424 ULVJEHIGVGLBJE-NZQKXSOJSA-N 473.750 6.031 50 1 JKGF C=C(C)[C@H](Cl)CCC(=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356642970 AQCCYRBRVYHDDZ-SQHAQQRYSA-N 459.026 7.346 50 1 JKGF C=CCn1c(COc2ccc(CC)cc2)nnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101869456 RZULJYJONFBDGU-QOCHGBHMSA-N 472.574 5.067 50 1 JKGF C=C1CCC(C)=CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I 195236104 BWCWRUFCLLPMEZ-UGKGYDQZSA-N 482.522 8.047 50 1 JKGF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)CC2=O 587490858 ZKECOHIGCSKLRQ-MUUNZHRXSA-N 466.517 5.809 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1C(F)(F)F 587550366 VBQRFGAQIJDWOD-RXVVDRJESA-N 497.238 5.802 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1CCCO1 587689196 QVIMCFYIJLTVIU-OLPMXTGOSA-N 469.826 5.202 50 1 JKGF COc1ccccc1[C@@]1(CCCCCCCl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962957450 NKPTVLWMDMJZDN-SANMLTNESA-N 496.013 6.798 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963241908 OQOJCZZRTFZUDY-QARQZZDGSA-N 477.004 5.562 50 1 JKGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccccc3)O2)cc1O 1772586115 HZLJTROGPKFEDS-HHHXNRCGSA-N 459.498 5.025 50 1 JKGF S=C(SSC(=S)[C@@H]1CCC/C1=N\c1ccccc1)[C@H]1CCC/C1=N\c1ccccc1 27195515 YVTGFADMGIFDFM-ROBIAQTMSA-N 468.738 8.168 50 1 JKGF CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 255251600 ODNLAFZGXZAPKY-ZWNCBDOQSA-N 456.711 6.944 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325751 HAJYJPTZMBIORW-SJZLBXHKSA-N 471.956 5.650 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587370980 CHGNIMZRDOCMTG-AHKZPQOWSA-N 484.478 7.051 50 1 JKGF CC(C)=CC[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C1=CC(=O)c2c(O)ccc(O)c2C1=O 1857656041 RFFRBEBUPLGGIB-FOIQADDNSA-N 476.616 5.385 50 1 JKGF C/C1=C/C[C@@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O 33954142 JBVAFOMCWIFYSA-NCDZGKRXSA-N 479.400 5.619 50 1 JKGF in-vitro C=C(C(=O)OCCCCCCCCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 73294727 SUZYHAUVKZPRRR-BWAGFHJFSA-N 467.488 6.943 50 1 JKGF Cc1sc2nc3c(c(NCCCCNC(=O)CCCC[C@@H]4CCSS4)c2c1C)CCCC3 98084416 VSAQYDUAMVZEBL-LJQANCHMSA-N 491.792 6.814 50 1 JKGF O=C(N/N=C(\C=C\c1ccc(O)cc1)c1ccccc1O)Nc1ccc(Br)cc1 103167588 KPDPKBBTNJGGNZ-SIACRCKJSA-N 452.308 5.100 50 1 JKGF CCC[C@H](Br)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O 114390609 RLWGHQYUVXRJSG-ZDUSSCGKSA-N 478.022 5.478 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 587323340 QUWGMSHABSSTHE-VWNXMTODSA-N 467.290 5.927 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325783 ZEUOMMSOISDBTO-VAVYLYDRSA-N 498.893 5.757 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr 587455414 BOLANZLWLCTLFB-NKXUHPISSA-N 486.244 5.643 50 1 JKGF O=C1C[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 587499880 VUSMKIIJZIPADP-FQEVSTJZSA-N 473.750 5.880 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCBr)cc1 587537615 IXPYRBZESWIIIP-NFBKMPQASA-N 455.304 5.259 50 1 JKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 962711614 SMMNWQNVZNUOKW-WMZOPIPTSA-N 470.677 5.623 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1c(C)cccc1Br 963029638 DZGYMOYADNFPAB-NRFANRHFSA-N 476.212 5.099 50 1 JKGF CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1nc(C#N)ncc1Br 58575321 SJGBTIIDRQYMSI-UHFFFAOYSA-N 490.833 5.160 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 195518507 QUSFRWBCEGVWGG-GDHFEQTISA-N 482.504 5.681 50 1 JKGF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Cl)c1 587157631 AXRWSWJYSYVLKH-LJQANCHMSA-N 478.845 8.181 50 1 JKGF CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320296 FGSBJUCYMOMCPC-ISKFKSNPSA-N 484.321 5.139 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502424 DZRMJXSOLOCQOI-PGRDOPGGSA-N 453.298 5.713 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCC2 587539533 WXYQVOZPCTUCOP-URXFXBBRSA-N 451.316 5.133 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 587671734 AKQNJNGRXWYBCE-FKIZINRSSA-N 480.175 5.416 50 1 JKGF COc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587673086 KCLDPIVWPLNHKE-ZUOKHONESA-N 471.208 5.386 50 1 JKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587673171 LAAYPTVRMHYDPD-YEJXKQKISA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 587730734 XWSVJYGQQGASGR-XVWMFJGMSA-N 493.617 6.136 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(I)cc2)N1 587737728 GWUNVIGTPGKVBX-BMLIUANNSA-N 494.573 5.209 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21NCCc2c1sc(C)c2C 963014231 UOXUMPVVLAVUNW-RBJSKKJNSA-N 470.041 6.317 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802492 WPOIKWAUAJRGRD-GNRBUDOSSA-N 475.492 5.050 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCCO4)c(C)n1-c1cccc(Cl)c1Cl 587058452 ZDPOGJIUJAOTEK-SXGWCWSVSA-N 465.340 6.113 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ncc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 587323932 UWGOYWIAXXKPFB-NQIIRXRSSA-N 497.147 5.835 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2O)N1 587672037 CPEHGYPIWYJUAR-HUTHGQBESA-N 463.572 5.120 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781596 XKMGDGZMFAPCAP-QPJJXVBHSA-N 469.273 7.213 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2ccc(CBr)cc2c1 587876892 PUVPVGSTZVZZIF-UHFFFAOYSA-N 475.213 5.946 50 1 JKGF Clc1cccc([C@]2(CBr)c3ccsc3CCN2Cc2cccnc2)c1Cl 962994719 LPYUWPDCUWQIFV-FQEVSTJZSA-N 468.247 6.147 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cc(F)ccc1O 963197564 SVGIXTFDJQLCMP-ISKFKSNPSA-N 451.339 5.293 50 1 JKGF CC(=O)OC(=O)[C@]12CC[C@H](C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 2356555192 LHQBHRRRKUSSIK-GFVZXTFXSA-N 484.721 6.849 50 1 JKGF C[C@@H]1C(=O)CC[C@@]2(C)[C@H]1C[C@H]1O[C@]13[C@]21CC[C@]2(C)[C@H]([C@H](C)CC=CC(C)(C)OO)CC[C@]32C(=O)O1 2356845102 OBHBMOJWJPZWOF-QAFMDUEESA-N 486.649 5.492 50 1 JKGF CC[C@H]1Oc2cc(oc(=O)c2Br)CCCCC#CC/C=C\C/C=C\C[C@@H]1Br 140403815 SMHFILGKUYWOFT-OBBCHDFCSA-N 498.255 6.336 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587009391 CSNTXEPLHJCKIG-DEOSSOPVSA-N 458.949 5.262 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1scc(Br)c1Br)[C@@H](C2)C3=O 587450514 HFJGBGLSMXBSHU-XXFAHNHDSA-N 478.589 5.163 50 1 JKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529463 AIJJMAIVLIDFPN-WJOKGBTCSA-N 490.583 6.647 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587685068 NMZVNKICVAVGFR-PSLXWICFSA-N 489.772 6.180 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(N3C[C@H]4CCC[C@H]4C3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772656342 UVNLDLCBDFRUCP-DXMSMQRWSA-N 471.527 5.002 50 1 JKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O 2356476367 CKYPHBIOFUNLLX-OEWGIKMGSA-N 470.694 5.998 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4ccc(Cl)cc4)C(=O)O[C@@H]3[C@H]21 206984837 VOBUJBOJMGGBTM-PANFYNLRSA-N 473.129 7.566 50 1 JKGF COC(=O)c1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c(F)c1Nc1ccccc1 586973758 OAHNDSYQQFGDEB-CQSZACIVSA-N 482.353 6.279 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 587333023 UVFVABUQKNQESW-GOEBONIOSA-N 469.175 5.222 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 587375998 GJGSGPYMKTVASQ-XMMPIXPASA-N 487.825 6.155 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686538 VOWUTYVELLQCEZ-MWTRTKDXSA-N 452.839 6.728 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587688969 OMGFKIIFVQGQOU-NFKSOIJDSA-N 487.800 5.612 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Cl)N1 587725833 GMDXBEVEBULWJX-XYZCENFISA-N 465.563 5.553 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1cc(C)n(-c2ccc(SC)cc2)c1C 963061962 ZWDIHPONGFWJDY-HHHXNRCGSA-N 478.061 6.001 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)c4cccc(Br)c4CCN3C)cc2)cn1 963269298 HVZVXNHQLUQDDL-OAQYLSRUSA-N 475.228 5.070 50 1 JKGF CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@]12C 2356560215 PRYJZWFEVZHKQI-HLBGQBGSSA-N 477.173 8.857 50 1 JKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@@](=O)c2ccccc2)=N1 34802438 KMIWFCOEGVYEOS-AMJODMLRSA-N 488.531 6.044 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)COc3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101488531 PVDBYNGCOJBBKC-ROAGLSPNSA-N 494.584 5.484 50 1 JKGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277233 RBIVRGJGLLESQQ-TYILLQQXSA-N 472.439 7.263 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O 587460623 OEDMLAPOSFFUHW-RUZDIDTESA-N 492.830 7.159 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 587496644 JFXIMBDNFFFHDM-NFHUAXAMSA-N 464.400 5.110 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 587670980 NBUMOSZLRYMNAK-ZNLKAECVSA-N 467.220 5.638 50 1 JKGF COc1ccc([C@]2(CCCCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963135255 DQUJTMAKXQLSSW-NTKDMRAZSA-N 495.041 5.441 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 36089191 ICFOPLOPLNRVLF-PWGQJFPFSA-N 477.689 7.112 50 1 JKGF CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@H]3c1ccccc1 96934495 LNSNEALHJNLODO-MSNAGZIKSA-N 483.948 5.663 50 1 JKGF C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331262 IYDIDQAKIYPYRW-WMTXJRDZSA-N 491.303 5.933 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](Cl)c1ccc(OC)cc1)CC2=O 587457748 CDTOCWZZZAMDFJ-SXOMAYOGSA-N 466.961 6.203 50 1 JKGF CC(C)(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587540067 ZUKJSAJZGBYKAI-BWKNWUBXSA-N 467.359 5.942 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587676740 GBDCQEWUXKLMMW-LIBAHTEVSA-N 461.600 5.756 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@]1(C)[C@H](Br)C[C@H](O)[C@](C)(O)[C@@H]1C2 2356655989 NMTHADGRZFKZFY-XKBPDVHJSA-N 464.282 5.198 50 1 JKGF CCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675492 RNNSPCFXKYKMIN-HSZRJFAPSA-N 462.981 5.633 50 1 JKGF C[C@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323913 URJPGRFWGXLWFP-ISKFKSNPSA-N 455.323 5.743 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587673161 KYXSAZQBNRKQFM-LHSJRXKWSA-N 485.235 5.940 50 1 JKGF CC(=O)c1csc([C@@]2(CCl)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961751719 TVTPMKDFYLQBHH-XMMPIXPASA-N 461.027 5.584 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1cccc2cc[nH]c12 961778387 DGJWSRLOQMZSBY-AREMUKBSSA-N 451.998 5.802 50 1 JKGF C[C@@]1(c2cccc3nc(CCl)oc23)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962951001 FMJKYDFHQCHELM-NRFANRHFSA-N 450.888 5.500 50 1 JKGF COc1ccccc1[C@]1(CCCCCCCl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962957443 NKPTVLWMDMJZDN-AREMUKBSSA-N 496.013 6.798 50 1 JKGF CC(C)(C)[C@@]1(/C(C#N)=C/c2ccc(F)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963470 YRLGKGIVGBJBKT-KPLKGUCASA-N 472.526 6.344 50 1 JKGF CCC[C@@H]1C[C@@H](Cc2cn(Cc3nc(C(=O)OC)co3)nn2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 1857612273 HJOLSBOMABQASP-HBFSDRIKSA-N 476.694 5.250 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 1857769744 WJPDZPJNJUHCQZ-UHFFFAOYSA-N 485.890 5.162 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356404994 CUWJDZXEDIUEEW-XGPOCZNESA-N 486.737 6.325 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356482952 CFBBUWFXWSYJHB-FHVABJSPSA-N 454.695 6.837 50 1 JKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3sc(-c4ccccc4)nn23)s1 28827009 LDLLFYVEDBJIIM-UHFFFAOYSA-N 451.964 5.426 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 66263003 GJCXNLIPRYMFHE-ONEGZZNKSA-N 455.430 6.064 50 1 JKGF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586935317 DVBSDUMHLXFPFB-INIZCTEOSA-N 489.919 6.549 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 587338580 XNSXZNOBJAEHOL-XMSQKQJNSA-N 469.698 6.470 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)O2 587372910 NRXIDTAOFVHWBZ-IGKIAQTJSA-N 478.976 5.058 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C 587687343 FZIROTSAZDNVPP-YTEVENLXSA-N 485.825 5.391 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587689752 VRABFEJYTRDUGX-WIUDPPPLSA-N 466.782 5.309 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C)OO 2356616358 UNYVZURFRUMMAD-KNYYBJHVSA-N 492.741 5.969 50 1 JKGF CC(C)C(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 100987565 QPGXVBIEYYWPND-FLWNBWAVSA-N 453.346 6.155 50 1 JKGF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 137682801 JHCXJIRLSJUGJL-GAOAULHNSA-N 463.102 5.778 50 1 JKGF CCCCC/C=C\C/C=C\CCCC/C=C\N(NC(=O)COC)C(=O)CCCCCCCCC 149375498 PTGPQHFNNAPOOT-OFWSQGBSSA-N 476.746 7.790 50 1 JKGF C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(/C)C=O)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)OC)[C@@H]12 238752520 FPFAZZFTBDKRJL-CCLAHXBKSA-N 496.688 6.212 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054409 FTAFMFYTKAXABQ-VGOFMYFVSA-N 459.739 7.134 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 587415767 WZGGQYWHCHQAMA-SANMLTNESA-N 481.017 5.604 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)CC2=O 587457348 XVDHAQMXRZWVED-ZAMGYDSWSA-N 458.352 5.186 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)CC2=O 587457902 DABWYLDCOHIMDA-RSXGOPAZSA-N 494.931 5.360 50 1 JKGF COc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c(C)c1[N+](=O)[O-] 587497869 DNGLPYWVTKSKST-QFIPXVFZSA-N 494.769 5.700 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689298 RMLGNMVGJZIBHC-OYLFLEFRSA-N 475.833 6.321 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@](CCCCCCCl)(c2ccccc2Cl)N1)C(F)(F)F 962775989 ZRGSXOBYDHDJJJ-IFMALSPDSA-N 458.351 6.419 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3cnn(CCCCC(F)(F)F)c3)(C(F)(F)F)C2)cc1 1772635888 FGTLMEIDIOFLMZ-FQEVSTJZSA-N 470.417 5.179 50 1 JKGF CNC(=O)c1ccc(N2C(=S)N(c3cccc(S(F)(F)(F)(F)F)c3)C(=O)C2(C)C)cc1F 1857584511 NZOMAQMGYRVEPJ-UHFFFAOYSA-N 497.486 5.759 50 1 JKGF C=C1[C@H]2CC=C3[C@H](CC[C@]4(C)[C@H]([C@H](C)CC[C@H](CC)C(C)C)CC[C@]34OO)[C@]2(C)CC[C@H]1O 2356379720 GEAFSGSDFLIGRT-YHEBVWOXSA-N 458.727 7.803 50 1 JKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](I)[C@@H]1CCC(=O)O1 13462695 JVGLFGABRWZJME-LCIPCQMKSA-N 454.392 6.637 50 1 JKGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587324578 RNLUAKVQXDJHKT-BMXCLTIZSA-N 479.935 5.322 50 1 JKGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326496 LQHXUFIXYBROLJ-AZGAKELHSA-N 467.924 5.003 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587671989 CDQAHKICHVRCNX-WYRIXSBYSA-N 491.626 5.731 50 1 JKGF Cc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587672842 IMBYTZMMYYCQAS-GIPWTMENSA-N 467.176 5.816 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccccc3c2)N1 587672856 INQLBSFBHHDIAK-ZSEKCTLFSA-N 463.188 5.914 50 1 JKGF CCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587673154 KXRBOXQEBJPAAT-RNODOKPDSA-N 455.209 5.713 50 1 JKGF CCCc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587673155 KXRBOXQEBJPAAT-XCLFUZPHSA-N 455.209 5.713 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683126 FMKHNJMQPREEIP-OYLFLEFRSA-N 487.800 5.592 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587683424 HAPUQTVRAPGBSD-WIUDPPPLSA-N 465.750 5.309 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Cl)N1 587734790 VTZOGPMWEVGRLM-XYZCENFISA-N 465.563 5.553 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969450 SWBGMWAQUGTMIM-CMDGGOBGSA-N 475.280 8.306 50 1 JKGF C[C@H]1CC[C@H]2CC3=C4CCC[C@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356646013 NBTVKSMHLQISOW-FYIZNCHVSA-N 475.768 6.208 50 1 JKGF CSc1nc(NCCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccc(Cl)cc3)c2n1 28862052 YSEKYKKBMBRIKI-LJQANCHMSA-N 458.418 5.836 50 1 JKGF COc1cc2[nH]c3c4c(c(C=O)cc3c2cc1Br)OC(C)(C)[C@@H](Br)C4 72112132 BBAKSUBITWVQPC-INIZCTEOSA-N 467.157 5.382 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 95808490 DOWVCXMJWOXGEG-VUTHCHCSSA-N 477.536 5.753 50 1 JKGF Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(CO)c2c1OC(C)(C)OC2 103251263 WVCVTFUIYSJJNP-UHFFFAOYSA-N 484.556 5.022 50 1 JKGF Cc1cccc(C)c1SSCCNC(=O)[C@H](Cc1cccc(Br)c1)N=O 169717441 BIHKUCCLEJAXFX-KRWDZBQOSA-N 453.427 5.300 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cccc(Cl)c3)ccc21 299857870 DFJYXNZHTLGIST-CCVNUDIWSA-N 485.802 6.837 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587685727 RMOGFLFGGSEQKN-LRTDBIEQSA-N 453.783 5.343 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689485 SWARSQXLGWAIJH-XXAQJILISA-N 481.837 5.978 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2nc3ccccc3s2)N1 587855123 FVQANJOZTMXPQN-MGNBDDOMSA-N 470.205 5.371 50 1 JKGF FC(F)(F)c1ccccc1[C@]1(CCCCCl)NC2(CC2)Cc2ccc(Br)cc21 961327786 VHDQGSUBOMBCBQ-NRFANRHFSA-N 472.776 6.799 50 1 JKGF COc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H](C)Cl)c1 201469989 DONXSTOIDIWGNV-KRWDZBQOSA-N 452.938 5.117 50 3 JKGF Clc1cc2nc(C3CCNCC3)n(Cc3ccc(CBr)cc3)c2cc1Cl 3639582 NTXAZLGQRVBIFS-UHFFFAOYSA-N 453.211 5.753 50 1 JKGF O=C(OCCBr)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 43122965 CUTXIPZTAPBPKZ-UHFFFAOYSA-N 475.342 5.322 50 1 JKGF C/C(=N\NC(=O)CCN1c2ccccc2Sc2ccccc21)C1=C(O)c2ccccc2C1=O 95577829 HZIZCYXJNLIXEH-JVWAILMASA-N 455.539 5.337 50 1 JKGF N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933485 ZIXKJYABEQAWKV-LOSJGSFVSA-N 491.938 5.564 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057168 UMBVJHGIOINNEH-NTUHNPAUSA-N 477.729 7.273 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320877 HLRPXHJFGBLHBX-WMTXJRDZSA-N 489.768 6.613 50 1 JKGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325247 DAWATAVEFQNBDZ-BWKNWUBXSA-N 471.912 5.146 50 1 JKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338602 XRCOOJCVDQKQAO-SSALJHAZSA-N 477.276 5.847 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O 587457934 DQDMYCOEHIABFA-BDYUSTAISA-N 479.960 5.460 50 1 JKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499509 UHHODHDFALYTDP-RPLLCQBOSA-N 470.009 5.849 50 1 JKGF CCOc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537724 JTVAQRKCCBAINP-OFNKIYASSA-N 455.304 5.043 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2)cc1 587539461 WNMYQCZMKBZAND-WIOPSUGQSA-N 480.358 5.244 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2ccccc2o1 587539959 ZAGAASTVOBPYCO-NZQKXSOJSA-N 451.272 5.390 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689519 TZJRDAADQXKRBH-FTWIIGPWSA-N 489.212 5.526 50 1 JKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(CCCCCl)c1ccc(Cl)cc1Cl 962699492 IJZRNEIJJOTLHS-SBUREZEXSA-N 472.884 7.149 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc(Br)ccc1OCC[C@@H]2Br 962955230 XSJTZQLLYGCLDN-XDCJIHQESA-N 490.239 5.644 50 1 JKGF CCS(=O)(=O)[C@H](Cl)[C@]1(c2ccccc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963194083 SMJIPZNBMZEAIL-GSDHBNRESA-N 465.018 5.053 50 1 JKGF CN1Cc2c(C3=CCN(C4CCC(=CC#N)CC4)CC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772645617 WZMWZPOQBRNKPT-UHFFFAOYSA-N 453.565 5.800 50 1 JKGF CCCNNC(=O)/C=C/c1ccc(CN(CCc2c(C)[nH]c3ccccc23)C(=O)OC(C)(C)C)cc1 1857608565 RQNUUDSNIYAPPO-FOCLMDBBSA-N 490.648 5.500 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@]1(C)[C@@H](C)CCC(=C(C)C=O)[C@@H]1CCCO 2356476544 KWJCZFYAVGCCMW-WBUOWHDESA-N 458.727 7.737 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 13151785 YCLFNFMIGLHWRQ-CUQVFIEESA-N 453.347 5.307 50 1 JKGF C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 96934085 WRKABWBIZILYRQ-ZSXPUABSSA-N 463.711 5.205 50 1 JKGF C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Cl)cc1 96934101 RMDDYMMKWGUZEP-HYZYYIOASA-N 460.913 5.645 50 1 JKGF COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587056228 OCLNAHSJJHWRRM-PXNMLYILSA-N 499.785 6.781 50 1 JKGF N#C/C(=C\c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587187713 JXZQXAQQWNVSIK-RVDMUPIBSA-N 450.395 6.037 50 1 JKGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587326846 NFADUXUAKSXISK-GJZUVCINSA-N 465.908 5.254 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC(C)C 587328951 WRLQYNSLZBONGL-BDYUSTAISA-N 469.984 6.489 50 1 JKGF CSc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1NC(C)=O 587372165 DYLQANKEBHLHKH-NOZRDPDXSA-N 485.964 5.705 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 587375992 GJGSGPYMKTVASQ-DEOSSOPVSA-N 487.825 6.155 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br 587676607 HRUUOCQVOAGTNR-HXPMCKFVSA-N 475.627 5.984 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587711488 KSYHUNPMCSJATF-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF CCOC(=O)c1sc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1NC(=O)CCl 587918860 LSPJZZVMLMNRRR-UHFFFAOYSA-N 488.392 5.831 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1cc(OC)c(OC)cc1Br 963229159 NHBMKFWWUANBHL-NYHFZMIOSA-N 497.271 5.761 50 1 JKGF CC(C)[C@@H](C)[C@@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356694951 ODNLAFZGXZAPKY-WBGMUJPBSA-N 456.711 6.944 50 1 JKGF COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 95602678 GGVSNNKLURXZPC-SSEXGKCCSA-N 499.570 6.500 50 3 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 38151420 ICFOPLOPLNRVLF-QIKLZVHUSA-N 477.689 7.112 50 1 JKGF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586890840 PJHNHULEVPPMNQ-MGPLVRAMSA-N 471.289 7.128 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 587324121 WCLAQFGSAWTZRF-IFMALSPDSA-N 496.159 6.487 50 1 JKGF COc1ccc([C@@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418657 UUJPIKVDJRGISK-QGDZQMKYSA-N 450.918 5.335 50 1 JKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507183 UUUIXECKRVOEGU-DENIHFKCSA-N 451.763 6.088 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1coc2ccccc12 587537450 FOXCGQISDAICNY-OFNKIYASSA-N 451.272 5.390 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 587686968 FAHNXJQBVSKIJW-BIBXISHDSA-N 452.755 5.000 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCC(F)(F)CC2)N1 587722951 UTJSQAVEBLYWBA-QGHHPUGFSA-N 455.156 5.538 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23N[C@H](C(=O)O)Cc2cccc(F)c23)N1 962897806 LISYNSLENALQCW-ZCUZBQTDSA-N 475.539 5.018 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(=Nc2ccc(C#N)cc2C(F)(F)F)[nH]c2ccsc12 1857594557 LRVMALLEMZHGLP-ONEGZZNKSA-N 491.498 6.693 50 1 JKGF C=C(CCC(C)=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O)C(C)C 2356544831 FNYATHKWPGEORD-JFHPUIQFSA-N 472.754 7.887 50 1 JKGF C=C1CC[C@@H]2[C@](C)(CCC=C(C)C)[C@H](Br)CC[C@@]2(C)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356657682 QCSKWFANIUTEHG-HWFPEDPKSA-N 489.494 7.532 50 1 JKGF COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nn2Cc2ccc(Cl)nc2)cc1 40861716 IBYWUKYKAVNOIH-CCVNUDIWSA-N 480.355 5.073 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cccc(Br)c1 84620033 KUSVZOZKPVHHAH-QFEZKATASA-N 479.403 5.241 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586974479 XBHQUGIHFPBGIU-SECBINFHSA-N 462.107 6.391 50 1 JKGF Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587322942 PRCUMPXPPRRUEE-ISKFKSNPSA-N 455.323 5.797 50 1 JKGF CCc1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O 587324947 BBUYUUNEGXMUER-RCZVLFRGSA-N 455.913 5.426 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCCCl)cc1)([C@@H](CC)c1ccccc1)CC2=O 587461251 RKPVSYYWZOVEJB-SVEHJYQDSA-N 479.016 7.017 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546373 WIGUKKHPXNOCPO-RLWLMLJZSA-N 465.933 5.473 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587681754 ALIIOYFEUWIFHN-UGZDLDLSSA-N 458.158 5.445 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 587723714 BXTFHSKUCKAELY-HDMZQJPESA-N 477.162 5.622 50 1 JKGF COc1ccc(C=O)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1OC 587785646 DMRDEGIOLOIQCB-UHFFFAOYSA-N 487.244 6.480 50 1 JKGF CC(C)=CCCC(C)=CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 2356796819 NNOODFWZCDRSHA-CWDLOFLHSA-N 473.451 7.119 50 1 JKGF CC(C)c1csc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)n1 103184997 ARBPOGPZLMKNIX-BRJLIKDPSA-N 497.049 5.410 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320306 FHIZFNZPFWCOHQ-ISCRSJHHSA-N 497.404 6.768 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 587543811 LLGPTNVQPFLRCB-LITSAYRRSA-N 492.015 6.797 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1F 587545729 HJKZIAYTMCHPHR-DYESRHJHSA-N 497.238 5.802 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 587673451 MWGCWLUUJPKSNX-YEJXKQKISA-N 493.218 5.255 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587687838 IRGMXGNDEUBILS-VUCVNMQBSA-N 457.815 5.231 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 587687962 JFQUXYIKIHROAQ-CPJLOUKISA-N 493.892 6.914 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1ccc(CBr)cc1 961750726 PKKLDKZBTLSTSX-RUZDIDTESA-N 471.439 5.996 50 1 JKGF O=C(O)c1cccc2c1CCN[C@@]21[C@@H](Br)CCCCCCCCC[C@H]1Br 963121027 IOBLNAUVBODBHN-KXTWHKPSSA-N 487.276 5.777 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 963240664 KZLOIIKCJSNLMH-WHLCRQNOSA-N 465.037 6.004 50 1 JKGF Cc1cccc2c1[C@@]1(C[C@H]3CC[C@]1(CCl)C3(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863555 ZBDVGBSWBYMGKB-IGWHFSDWSA-N 462.030 5.892 50 1 JKGF O=P(OCCCOP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3181335 NAMIHBQYTWUXED-UHFFFAOYSA-N 476.449 5.268 50 1 JKGF biogenic COc1cc(CNNC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439066 ZRHYIJRHAZONMI-UHFFFAOYSA-N 484.980 5.200 50 1 JKGF C=CCOc1ccc([C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(OCC=C)c1 103194214 CEZZTDVEZMHHSM-DUWINQEHSA-N 456.579 5.739 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057197 UMXLJRRBVKHDFZ-NTEUORMPSA-N 487.188 6.499 50 1 JKGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319611 CHHCYHUGNWOURX-UMXIMWEHSA-N 499.332 5.332 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587320635 GCXGLXGGEOBGRP-GMAHTHKFSA-N 486.293 5.397 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(Br)c1)CC2=O 587456303 MQNSKTRKTXTQAH-HXUWFJFHSA-N 484.184 5.371 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC(F)(F)F)c1F)CC2=O 587464305 NSFNQUUUEYCUGZ-LJQANCHMSA-N 477.248 5.638 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2(c3ccccc3)CC2)N1 587672922 IXNZIIHRIFTAKH-ZUOKHONESA-N 453.193 5.444 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 587720099 RBTLYNWFTUZORF-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Br)cc2)N1 587845873 OOBGCHAPPGBBES-ADLMAVQZSA-N 470.205 5.343 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)s2)N1 587846157 GXYMPXWNRKOTTC-DYZYQPBXSA-N 481.656 6.209 50 1 JKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@]12c1ccsc1CCN2Cc1ccco1 962710167 LDMKNTGZJXUNQX-AYTQJLEDSA-N 495.604 5.048 50 1 JKGF COOC[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5cc(OC)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@H]2C1 1857601101 NUKMCKWOSDIKPK-XZFMNKTESA-N 484.677 6.852 50 1 JKGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)c1 1485756 LSYVTXMLAWFFTO-UHFFFAOYSA-N 497.477 5.340 50 1 JKGF COc1ccc2cc([C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c(OC)cc2c1 103194215 ZRHUGYWPRSHJNC-CQVVJWKLSA-N 454.563 5.780 50 1 JKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 103208288 VLZPEPJNQVTSFL-NRFANRHFSA-N 454.486 5.194 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)C3c4ccccc4-c4ccccc43)C[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 299830086 MJNXMUXJLKFAPU-QJEGNQIASA-N 474.597 6.009 50 1 JKGF O=c1ccc2cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)ccc2o1 586918767 SICOETPCMXHTSD-UHFFFAOYSA-N 467.213 6.756 50 1 JKGF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F 587139613 LYRDWOSPVSBBDC-UHFFFAOYSA-N 496.614 7.351 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324374 YDBLSCHZONBQCV-FYYLOGMGSA-N 457.295 5.189 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O 587422242 CKZLGKJYQLVJNS-CPJSRVTESA-N 473.903 5.586 50 1 JKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587501150 WEOKZLHGWNUJAZ-WIXLDOGYSA-N 482.256 5.864 50 1 JKGF CC[C@@H](C)c1ccc2[nH]c(CI)c(N3C(=O)c4ccccc4C3=O)c2c1 587640064 BLVWRGZQBJRVMT-GFCCVEGCSA-N 458.299 5.417 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 587674588 XRNPSAYDUJTTPJ-WNSKOXEYSA-N 489.226 6.309 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587851810 COPWHOCBNNTCMD-PRWKNARSSA-N 468.823 5.469 50 1 JKGF COc1ccc([C@H](O)[C@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587935093 GIJRCFFNXTVFHT-XXFAHNHDSA-N 487.288 6.829 50 1 JKGF CC[C@@H](Br)[C@]1(c2ccccc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957530 OUEDKAYBGSLBBG-KNQAVFIVSA-N 468.357 5.774 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C=O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 29558403 SIAXXLRTIQWSSZ-VNNAKPRGSA-N 480.689 6.787 50 1 JKGF CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C 254085975 BGPDUCDSLDTQPY-UHFFFAOYSA-N 450.336 5.344 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(C#N)c(C#N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056787 RLQOBIMRVCZDJV-CNHKJKLMSA-N 457.324 6.085 50 1 JKGF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 587080916 VIDLPBCDGUFZLH-ZETCQYMHSA-N 479.700 7.471 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587457251 XAUFRLOPNRJIEG-CMJOXMDJSA-N 482.415 5.091 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O 587461088 WGXVZWVKXRYQOY-XGCWNURASA-N 463.961 5.820 50 1 JKGF O=C1C[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587495565 DUOYPUZKXXBEGS-IXCJQBJRSA-N 489.955 5.401 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 587546454 JXOYNOHZPQEOMQ-RXVVDRJESA-N 497.238 5.802 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711580 LCNJIAIGONKFAH-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF Clc1cc(Cl)c2c(c1)[C@](c1cccs1)(C(Br)Br)NCC2 963124576 RSBYDNRMXVJSGV-AWEZNQCLSA-N 456.030 5.560 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963179647 MNMDPRNBWXRTAC-PXNSSMCTSA-N 457.279 5.230 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(/C)C=O)CC[C@]3(C)O)O1 40835381 RPXRCEJKIKHRBO-CKGIXHMVSA-N 468.678 6.770 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3ccccc3C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106451 CIBNXUBMNFRNFQ-RCNXKZRESA-N 470.528 5.863 50 1 JKGF CCOc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)c1OC 586977256 DLMWMQXVXDCPOR-QPJJXVBHSA-N 499.299 7.561 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cnc(N3CCCCC3)s2)[C@H]1c1ccc(F)cc1 587377178 QTIBEFTZIYFWQK-XUZZJYLKSA-N 472.969 5.471 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 587458139 GRCWUEBABUZYCU-OHZJNBGDSA-N 489.955 5.364 50 1 JKGF Cc1cc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587509901 YERFPVKECFBGLS-JMQGSBJISA-N 499.985 7.062 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 587673848 QTKYPYRUZIPLBZ-QKKBWIMNSA-N 482.235 5.361 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674707 ZPKWUKQTQLIEML-HUTHGQBESA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2F)N1 587720473 RRQUJGFEDZNICE-YPMLDQLKSA-N 479.590 5.897 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587852502 LWCZILDJWQQGKG-VJNUETCYSA-N 489.838 5.057 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCCl)(c2ccccc2)N1 963202351 YXWCCKWZTZPXJK-RBBKRZOGSA-N 474.350 6.391 50 1 JKGF COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C(/C)c3ccc(Cl)cc3)n2)cc1 49803541 KSYDAAITDACRGC-ZMGVVAQMSA-N 489.938 6.157 50 1 JKGF COc1cc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O 53298234 OEBUXXALNAGHSZ-DHIUTWEWSA-N 490.972 5.104 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587009371 BZRFYLQCGHZCEJ-KRWDZBQOSA-N 499.718 5.464 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323769 TZKAHFPLTBEXMB-QRENOOHASA-N 459.355 5.850 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 587325046 WJGHVLARBSMQMS-NNFJYWIMSA-N 497.953 7.247 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(Cl)cc1 587539012 UBUNPPPCPIFKLP-OFNKIYASSA-N 473.750 6.078 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587683720 HTGISBRURCLCCW-MQNRADLISA-N 483.812 6.753 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711144 GFIWZXMZTSCQRT-QGHHPUGFSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 587724402 HSFCKRBUJVKQKB-RSULWSAWSA-N 477.162 5.622 50 1 JKGF COc1ccc(-c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2C)c(OC)c1 587929722 PAQRLBDMRCVQTQ-UHFFFAOYSA-N 470.463 7.880 50 1 JKGF Fc1ccc([C@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)c(Br)c1F 963107331 MHQOGQPYUPZDOT-INIZCTEOSA-N 485.981 5.818 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@]1(C)[C@@H](Br)C[C@@H](O)[C@@](C)(O)[C@H]1C2 28971886 NMTHADGRZFKZFY-XLXYOEISSA-N 464.282 5.198 50 1 JKGF Cc1ccc([P+](Cc2ccc(C(=O)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1 84690658 IQPMQYFPZLTCMM-UHFFFAOYSA-N 471.560 6.720 50 1 JKGF COc1ccc(Oc2nc3ccccc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98082373 MKGGTRUQCIFZPD-DEOSSOPVSA-N 467.525 5.487 50 1 JKGF CCCCCOSN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103214368 AMBYMEYQUCKGKO-UHFFFAOYSA-N 470.679 6.934 50 1 JKGF Cc1ccc([P+](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 137733411 YZZFUQPCDUMLIC-UHFFFAOYSA-N 478.552 5.202 50 1 JKGF CC(=O)OCc1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(/C=C/C#N)cc1C 206825664 MQIZRNNCXACHKI-SNAWJCMRSA-N 452.514 5.893 50 1 JKGF CC[C@H](C)Sc1nc(NCc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135206 GNWBUALGSADGLT-UWJYYQICSA-N 452.027 6.309 50 1 JKGF O=C=Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587337441 OEERPJCIROSIKO-IAPPQJPRSA-N 451.453 5.801 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCCN4C(=O)c1ccccc1)[C@@H](C2)C3=O 587421923 OFHBHHZIDLWVEJ-RBISFHTESA-N 473.956 5.170 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587686732 DNJBOYWYDLDVQA-FATZIPQQSA-N 461.806 6.012 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 587850464 YZUPXJGLFLGGBF-ODXCJYRJSA-N 496.243 5.884 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)cc1C(F)(F)F 587892246 CJIHCCVVYVKEDF-UHFFFAOYSA-N 479.123 5.618 50 1 JKGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962671808 XEABMHYVFXAMCS-UKILVPOCSA-N 450.376 5.070 50 1 JKGF COc1ccccc1[C@]1(CCCCCCCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962767673 PYORMRHITYZBOV-NZQKXSOJSA-N 453.932 5.774 50 1 JKGF CC[C@@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)NCCc2c(OC)ccc(Cl)c21 963256163 AUOZKKVCXMQLBS-WNCULLNHSA-N 470.440 6.549 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356449457 MRSCOQQAXLCERG-XGPOCZNESA-N 470.738 7.353 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356503992 BJDXBDDVBKYQSK-XQVPNCLKSA-N 474.726 6.612 50 1 JKGF C=CC(=C)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@@](C)(C(=O)OC(=O)C=Cc3ccc(O)cc3)CCC[C@]21C 2356780400 VHWCBTIGFYIWEG-HJXCCVQMSA-N 466.618 5.971 50 1 JKGF N#CC(=C(/N)Sc1cccc2ccccc12)/C(C#N)=C(\N)Sc1cccc2ccccc12 40700908 YXTAXXCALXNXTR-CDTUYSNOSA-N 450.592 6.265 50 1 JKGF Cc1ccc(-n2nc(C)c([C@@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CC(C)(C)C4)c2Cl)cc1 169310629 KYVHHTPEJUXMJM-DEOSSOPVSA-N 499.018 5.478 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104881 YJUXEVRPHUYRBG-UHFFFAOYSA-N 474.900 5.369 50 1 JKGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319609 CHHCYHUGNWOURX-NMVJMZGASA-N 499.332 5.332 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323002 JANXQESYKKIJPX-SVJNFDNESA-N 495.978 6.398 50 1 JKGF CN1Cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2NC1=O 587328822 VYDSGEXXOAESPV-RCZVLFRGSA-N 466.896 5.002 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O 587418463 QSURVOUILHAQLW-RDPSFJRHSA-N 486.793 5.747 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587688563 MIJZEIMMJHZBPY-HDBFHEOPSA-N 472.829 6.963 50 1 JKGF N#Cc1cccc([C@]2(CCCCCCCl)NC3(CC3)Cc3ccc(Br)cc32)c1 961750064 NWDHECXCQVGYCY-DEOSSOPVSA-N 457.843 6.432 50 1 JKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 962711608 SMMNWQNVZNUOKW-FUHWJXTLSA-N 470.677 5.623 50 1 JKGF C[C@]1(c2cc(Cl)cc(CCl)c2O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960101 RQZBRYDHVDLBSJ-HXUWFJFHSA-N 460.323 5.718 50 1 JKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(C)cc3)O2)cc1O 1772613435 WCHKAXVEGQNFGH-NDEPHWFRSA-N 473.525 5.334 50 1 JKGF CC1=C(CCCCCCCCCCCCCCCCCCC=C(CC(=O)O)C(=O)O)C(=O)OC1=O 2356825045 HBEZEHQMPGSVKN-UHFFFAOYSA-N 492.653 6.894 50 1 JKGF O=c1nc2c3cccc4c(Sc5ccc(OO)cc5)ccc(c-2c1NCCCc1ccccc1)c43 95594309 OHUMWVDIZFUPRC-UHFFFAOYSA-N 478.573 6.776 50 1 JKGF COc1ccccc1-c1nnc(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)n1C1CCCCC1 101884542 YZISOFFACICCDS-QOCHGBHMSA-N 486.601 5.920 50 1 JKGF COc1cc2c(Br)c(CBr)c3cc(OC)c(OC)cc3c2cc1OC 103170787 ZFOCWCWIQJPDOW-UHFFFAOYSA-N 470.157 5.685 50 1 JKGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCCC1 137908549 YFTLMAIJLQCIOK-UHFFFAOYSA-N 453.623 5.646 50 1 JKGF C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@]21C 195518148 ZFWQCKSSHUJFRW-QUVYHKHYSA-N 468.625 6.124 50 1 JKGF CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(OO)C2)C1=O 238738380 AWDUWDVISOBEPH-TZGUHJPRSA-N 488.621 5.044 50 1 JKGF N#CCCn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587329109 XDJXZFUUTIBJKS-VPUSJEBWSA-N 474.919 5.893 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 587338585 XODKEONRTWROER-SIKLNZKXSA-N 463.249 5.459 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 587370812 BWNPUNGPNLRTRD-BJKOFHAPSA-N 461.389 5.101 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1C(F)(F)F)CC2=O 587461868 NRSXVSQRSCZVTO-LJQANCHMSA-N 461.249 5.758 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587673082 KAOYGKVKIUFTLW-XYZCENFISA-N 482.018 6.068 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 587689512 TYPSWFVNAMESTC-OWJWWREXSA-N 491.832 5.652 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587711304 JTYDNIDGEFKKGZ-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF FC(F)COc1ccccc1[C@]1(CBr)NCCc2cccc(-c3ccccc3)c21 962665350 HRJSLOQTBXZBCN-DEOSSOPVSA-N 458.346 5.782 50 1 JKGF CCCCCCCCCCCCCC[C@@]1(CBr)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963612575 SLMFCVHKWCUBIG-CUNXSJBXSA-N 496.574 7.919 50 1 JKGF Cc1c(Br)cc2c(c1Br)O[C@]1(CBr)[C@H](C)CC[C@@]21C 2356787729 BPZFKJQFSJAGFX-UKXDHYTESA-N 453.012 5.734 50 1 JKGF CCCCCc1ccc(-c2cnnn2[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 102073691 RFGHZEAVXQSSPE-DSOCCWNGSA-N 481.637 6.058 50 1 JKGF C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H](/C(C)=C\C(F)=[S@](N)(=O)c4ccccc4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O 169727118 UIFOLWDAQYHLJX-AUXLETJDSA-N 499.692 5.390 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(F)c2F)[C@H]1c1ccc(F)cc1 587339341 YVCFLDQTYCBEED-UGKGYDQZSA-N 463.249 5.459 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(Oc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587415780 XHDUYGIAJJZIEH-PUAZMWONSA-N 465.343 5.914 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)c(N)c(Cl)c1)CC2=O 587456559 QYFKDFZOOSSBKI-LJQANCHMSA-N 459.167 5.489 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)cc(C(F)(F)F)c1)CC2=O 587463980 FINNRAHQNXDPLR-LJQANCHMSA-N 461.249 5.758 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1 587538727 BHWZAKVWPWNVDY-UGKGYDQZSA-N 459.723 5.641 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1Br 587541367 UBFMZEHFSGOHOU-OXQOHEQNSA-N 481.129 5.299 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 587674210 UQRWIKSKQVJCGP-RIGQESBRSA-N 475.284 6.731 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 587686325 CNVWVQWJSHOAQJ-MYYSRTQBSA-N 475.833 6.071 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 587687737 HNUVMAIEVSVBBK-MYYSRTQBSA-N 491.832 5.652 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587707992 ZDQPQEATNVPKRP-AQQIJUCISA-N 464.684 5.370 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 587851248 HVSSISRCPKWELW-XMHCIUCPSA-N 481.862 6.133 50 1 JKGF Cc1cc2c(cc1O)[C@@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)N[C@H](C(=O)O)C2 963489834 HZRUZHBXGRUJGO-XUZZJYLKSA-N 492.925 5.208 50 1 JKGF CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CC[C@H]1O 2356335507 BDNMFPOVAWCGRX-FAWAEZSPSA-N 490.725 5.201 50 1 JKGF CC(C=O)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 2356567113 HOEAACPBPFPKCY-VOOBWTCMSA-N 470.694 6.723 50 1 JKGF O=C(Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)Nc1cccc2ccccc12 27633523 FZKVSRIYFIYUHW-UHFFFAOYSA-N 487.737 6.017 50 1 JKGF O=C(CCCCCCSSCCCCCCC(=O)Nc1ccccc1)Nc1ccccc1 28120738 OWDAWYJUXGWTPD-UHFFFAOYSA-N 472.720 7.546 50 1 JKGF CC(=O)OC(=O)[C@]12CC[C@@H](C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 238757429 LHQBHRRRKUSSIK-FDDDHLIBSA-N 484.721 6.849 50 1 JKGF CC(C)(NC(=O)CCl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587009870 WNNGSDCKFZAYBQ-UHFFFAOYSA-N 456.662 5.573 50 1 JKGF Fc1ccc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587147757 AXYTZYLOWTYXBC-RQOWECAXSA-N 461.200 7.431 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-n3cnc(C)c3)cc1)CC2=O 587456505 PTDGJJBLCMPLQO-QHCPKHFHSA-N 455.352 5.094 50 1 JKGF Nc1c(Cl)cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587501965 ZKAIYWADEGWIOV-FQEVSTJZSA-N 455.179 5.710 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587674340 WHCVWQHPCYNBCY-DGIBIBHMSA-N 487.594 6.161 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684571 LBUCUEXRMFFYAM-RCDICMHDSA-N 467.810 5.589 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587685199 OELLEEINNQJHMW-QTPGKHNVSA-N 477.846 5.496 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587687070 YQNLXNXPJRNBCO-JLCFBVMHSA-N 464.762 5.529 50 1 JKGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccccc3Cl)O2)cc1O 1772605560 OFDDAKXLNISDHD-HHHXNRCGSA-N 493.943 5.679 50 1 JKGF C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356518586 VSAWFCPZOWGXLL-AHPZMPFVSA-N 490.760 7.402 50 1 JKGF CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(C[C@H](Cl)c3ccccc3)c2n1 28862027 UVNUZNGUCOSYET-FQEVSTJZSA-N 457.430 6.441 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2c(C)c(C)cc(C)c2C)c1OC 29126327 OYKNVBVUXOTHAQ-VFLNYLIXSA-N 496.991 5.639 50 1 JKGF CCCCC(CCCC)N(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)c1ccccc1Cl 43120265 NFDLMMCUNGQRHX-UHFFFAOYSA-N 491.028 5.902 50 1 JKGF O=C(CBr)NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586971452 SKVXDYKEIDNWRK-UHFFFAOYSA-N 487.086 5.036 50 1 JKGF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587150156 KVWWSJXUIGYTDL-ZETCQYMHSA-N 479.215 7.401 50 1 JKGF C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325861 HCBPINFANBDPQD-RSXGOPAZSA-N 467.924 5.763 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccc(Cl)c(Cl)c4)no1)[C@@H](C2)C3=O 587412684 JRZUOTIOUCIREM-YEJXKQKISA-N 495.156 5.695 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 587457941 DRLISHBMMASJCM-OHZJNBGDSA-N 489.955 5.364 50 1 JKGF COc1ccc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587539219 UWTLYSOAKMVMRO-JYFHCDHNSA-N 491.337 5.806 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541864 DPZGEBSAFBWRRK-FSTFDLFESA-N 487.335 5.409 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687396 GMHNUNQMLJFQIH-XATISFHKSA-N 472.829 6.963 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@H](C(C)=CCC[C@]2(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)C[C@H]1O 2356448441 DFJMIRLFDMBSHL-KWKLTRBOSA-N 490.725 5.823 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccc(F)cc1 13675459 SMFUZLCKIPKAPL-QFIPXVFZSA-N 466.944 5.382 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586974269 UKZGGMMDQIVOJK-VIFPVBQESA-N 462.107 6.391 50 1 JKGF O=C(Cc1ccccc1)NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587228595 OZLFIOCEXMTRKD-UHFFFAOYSA-N 484.288 5.884 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1)CC2=O 587462772 SOTWVMHATGBZLH-IBGZPJMESA-N 461.249 5.758 50 1 JKGF O=C1C[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587495561 DUOYPUZKXXBEGS-IAPPQJPRSA-N 489.955 5.401 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587544334 NSHGYEJZCUKUGK-LITSAYRRSA-N 487.983 6.512 50 1 JKGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587680687 VDTMQLBOYTWDRP-MLCYQJTMSA-N 477.599 5.376 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587686983 YFOSONXZLSHVJY-VERVWZFWSA-N 465.794 5.225 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587711773 MFEOHHWFDLEVOI-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(I)cc2)N1 587737729 GWUNVIGTPGKVBX-BTDLBPIBSA-N 494.573 5.209 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(OCC(F)(F)F)cc1)N(C)[C@H](C)C2 962558902 AWPNBJCNUVYHDF-SPLOXXLWSA-N 488.344 5.160 50 1 JKGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)NCCc2cccc(-c3ccccc3)c21 962666610 KMBYLGOPKWHJCR-BVAGGSTKSA-N 464.396 5.043 50 1 JKGF CCCCCC=CC[C@@H](CCSSCC[C@@H](CC=CCCCCC)OC(C)=O)OC(C)=O 2356639099 DTLNHSKTUGGNSN-WMPKNSHKSA-N 486.784 8.065 50 1 JKGF CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 103539448 KVTCHSWVSFQOTP-ADRJHGJHSA-N 474.726 6.612 50 1 JKGF biogenic,in-vitro C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 169356069 QGJLGIKHILXLAN-RKSFGSKZSA-N 492.700 7.299 50 1 JKGF C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 255214246 GXIUUQNLOQDGBR-CKKKDKDYSA-N 474.726 6.774 50 1 JKGF C[C@@H]1C[C@@]2(CC(C)(C)OO2)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 255276236 WJZVKNGHNMFBJT-OOFVTEBRSA-N 470.694 6.856 50 1 JKGF COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046591 XLIHZWBFGHVSGX-UHFFFAOYSA-N 456.864 7.584 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 587338582 XODKEONRTWROER-DENIHFKCSA-N 463.249 5.459 50 1 JKGF Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587542435 HDXSRNIBGIMSBR-PDDLMNHVSA-N 495.962 6.647 50 1 JKGF CC(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 587543842 LVBZWMSZKAMSFE-IGKIAQTJSA-N 450.962 6.735 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1OC(F)(F)F 587557711 SLUFUGWYSUGDIW-RXVVDRJESA-N 495.247 5.543 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2)N1 587674264 VNKIRUFEZWROND-BTDLBPIBSA-N 492.024 5.523 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(=O)[C@@H](C)Cl)cc2)([C@@H](C)Cl)N1 587689219 QXXMHXCPAMSNDX-STPIAKFDSA-N 489.212 5.526 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1CCCO1 587690036 YXTYTQJPDFMWLG-GZOOOWMASA-N 469.826 5.202 50 1 JKGF Cc1nn(CCCCl)c(C)c1[C@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961749889 MYSCIAMMXWIDRS-HSZRJFAPSA-N 459.034 5.370 50 1 JKGF N#CC(C#N)=Cc1cccn1C[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962713977 XRUVDFYAXDMMMZ-HHHXNRCGSA-N 450.567 5.575 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCCCl)(c1ccccc1)N(C(=O)c1ccccc1N)CC2 963150668 GMEIMFZVZQRBOR-LJAQVGFWSA-N 493.047 6.027 50 1 JKGF C=CC(=C)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(C(=O)OC(=O)C=Cc3ccc(O)cc3)CCC[C@@]12C 2356780402 VHWCBTIGFYIWEG-WJPWHUPVSA-N 466.618 5.971 50 1 JKGF CC(C)=CCC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34C=C[C@@]5(OO3)C(C)(C)C(=O)CC[C@@]5(C)C4=CC[C@]12C 2356866352 WFBQHPZHJVDGRG-QMFHFIMDSA-N 498.660 5.562 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 26838976 QRRVYNHCMMRFJK-BZCFEEOXSA-N 496.732 6.811 50 1 JKGF CC(=O)Nc1ccc(/C=C/c2sc3ccccc3[n+]2CCCCI)cc1 36381209 HUIXVZTYGFKDJT-UHFFFAOYSA-O 477.391 5.533 50 1 JKGF COc1cc(OC)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587057609 VRFMFHPAXXMVIP-SXGWCWSVSA-N 467.356 6.359 50 1 JKGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587371759 DCHKVHWAVLRRPZ-HSJHCEBHSA-N 473.953 5.111 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N3CCCCC3)cc1)CC2=O 587456074 KEDJGFMBTIYSIO-DEOSSOPVSA-N 458.396 5.591 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)Cl)c(-c3ccccc3)c2c1 587618037 MSZINUDXQIBULH-AWEZNQCLSA-N 485.949 5.852 50 1 JKGF FC(F)(F)c1cccc2c1[C@@H](c1ccc(S(F)(F)(F)(F)F)cc1)NCC21CCOCC1 962964083 ZFVLVFMDRAUPBP-GOSISDBHSA-N 473.429 7.104 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)c(C)n1-c1ccc(OC(F)F)cc1 963099597 PLDDGJWXPMFELX-OGHKIJNOSA-N 488.981 6.726 50 1 JKGF CCOc1ccccc1N1CCN(C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 101966615 QUQWETCJMGFAIB-ATJXCDBQSA-N 481.021 5.477 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 195518733 VFBYNCPHZPFIJO-DGBBAZJCSA-N 478.541 5.851 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-c3ccccc3)cc1)CC2=O 587456971 UBDFJEZFFHUEPN-VWLOTQADSA-N 451.360 6.267 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587671388 RLGWFEWAAJKPJG-GTQRCTGISA-N 483.263 6.348 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2sc(CBr)cc12 587898072 BLTCFDPFYREMBS-UHFFFAOYSA-N 467.215 5.813 50 1 JKGF Fc1ccc(F)c([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962633629 LXPJWJCONNMDQM-SQJMNOBHSA-N 469.373 5.350 50 1 JKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(C2CCCCC2)N1 963186586 ULAZFANEDQBTIX-CXAGYDPISA-N 454.714 5.128 50 1 JKGF C/C(=N/NC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 13108712 JZZQWWHBWWWTOF-WGARJPEWSA-N 476.385 5.535 50 3 JKGF COc1c(F)cccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330787 IKZGMSYWFVFRBO-NZQKXSOJSA-N 475.285 5.328 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 587374578 KXLSDVCVUHHIGS-DHLKQENFSA-N 482.964 5.889 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587496996 BEPITTVCJMWBTN-ZSEKCTLFSA-N 464.197 5.972 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 587672090 CVXVHBFXJTXMNK-LRTDBIEQSA-N 467.220 5.640 50 1 JKGF CCCCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587674184 UHCSFGQAVRSFAB-NYHFZMIOSA-N 483.263 6.494 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 587676589 HOMGKIQRAHQGSM-RAIVTMKUSA-N 493.218 5.098 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2)N1 587677085 GJNKMWCVBLIAGK-ZMZPIMSZSA-N 461.600 5.757 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587684038 JQZLMYCWDIXAHV-QMTYFTJSSA-N 497.839 6.764 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711824 INVXIIZMUDFZNM-BTDLBPIBSA-N 481.125 5.780 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(F)(F)(F)(F)F)ccc1O 587895642 UOPZNMWXIXINJL-UHFFFAOYSA-N 460.251 6.067 50 1 JKGF Cn1c(O)cc2cc([C@]3(CBr)c4ccccc4CCN3[C@H](C#N)c3ccccc3)ccc21 963201195 FZTDRTSUBDHUNC-XNMGPUDCSA-N 486.413 5.645 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1cc(C)n(CCc2ccccc2)c1C 963609566 NOSIQQWQZXEVJP-DNOBIOAJSA-N 453.026 5.381 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1cc(C)n(CCc2ccccc2)c1C 963609569 NOSIQQWQZXEVJP-MYUZEXMDSA-N 453.026 5.381 50 1 JKGF CCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(C(=O)c3ccc(OC)cc3)oc12 1857640918 QJTIGMMSMYJMJF-RUZDIDTESA-N 496.563 5.686 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 2356473141 UTUUDDODKUTNLS-RRBMRGKSSA-N 456.711 6.176 50 1 JKGF C=C(C)[C@H](Cl)CCC(=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356642969 AQCCYRBRVYHDDZ-SHQCIBLASA-N 459.026 7.346 50 1 JKGF 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](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 2356686573 KLCUUHOIEJZJNQ-NGXGKYDBSA-N 498.748 7.095 50 1 JKGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)N(C)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 13823180 IAHDJDYXXOYJJQ-RIPCNWKXSA-N 488.531 5.157 50 1 JKGF NNC(=O)n1cc(C(=O)c2ccn3c2CS[C@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 26742798 FAYZFXYNZAPSSY-SANMLTNESA-N 497.555 5.100 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@@H]6CC(=O)C(C)(C)[C@@]5(CC[C@]43C)OO6)[C@H]12 144381433 OCQVIAYBPXDENN-WNNMMXOISA-N 470.694 6.267 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587319582 CDRVZINRTNKNSQ-VWNXMTODSA-N 489.768 6.614 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)no1 587326343 LDLIOJWBRLMAJK-AOYPEHQESA-N 480.923 5.728 50 1 JKGF Cn1c(O)cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587329592 YPYSLCRYFTVFAJ-NOZRDPDXSA-N 451.881 5.222 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)CC2=O 587455565 CVDZJYILFIQSDZ-BZQUYTCOSA-N 489.406 5.940 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2ccccc2o1 587539958 ZAGAASTVOBPYCO-NFBKMPQASA-N 451.272 5.390 50 1 JKGF O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644344 VTNRVGIPSSOLSA-UHFFFAOYSA-N 465.303 5.786 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669473 DGPCLXRVUBXGRY-YPENRWOSSA-N 469.236 6.273 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)F)c2)N1 587719742 REXFALYVIOCPAM-MGNBDDOMSA-N 479.134 5.362 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2nc3ccccc3s2)N1 587857477 KKOPQCVGEYFSDX-MGNBDDOMSA-N 470.205 5.371 50 1 JKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(F)cc3)O2)cc1O 1772655069 COJZNTNHZUIVEE-MHZLTWQESA-N 477.488 5.164 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356449456 MRSCOQQAXLCERG-LIUKAWEGSA-N 470.738 7.353 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356691386 HYJRGCBMQQQTHM-RYTSNQFKSA-N 490.725 5.584 50 1 JKGF CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O[C@H]1C=CCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 195516167 PXCNNYUYKNYPFN-CCDWMCETSA-N 479.693 6.200 50 1 JKGF O=C1O/C(=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586905757 ARAZUWMFOFLENC-NTUHNPAUSA-N 467.213 6.651 50 1 JKGF O=C(O)c1ccc(-c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)ccc2F)cc1F 587138515 LPGWGGKGELZBOB-UHFFFAOYSA-N 476.373 7.531 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 587322587 NLXVDHWERHLGFU-IFMALSPDSA-N 496.159 6.487 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 587323238 QKDDJEKCVRHLIY-NOZRDPDXSA-N 467.334 5.669 50 1 JKGF COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)[C@@H](C2)C3=O 587448614 KMJXONKCBOTAGB-HVNZXBJASA-N 478.528 5.559 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542008 FFTMATUJKCWLSC-BWKNWUBXSA-N 451.906 5.083 50 1 JKGF CC(C)[C@@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670213 JDBYNZRBVZJJIY-GBLZOACLSA-N 455.209 5.786 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587686301 CFOPJDUVEOHZFD-QENPMARHSA-N 457.815 5.231 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587689563 UNIIJDDDTMLFIY-QLEMLULZSA-N 467.810 5.732 50 1 JKGF Cc1c(C(=O)CCl)c2ccccn2c1[C@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963113760 ZTFZNENDWVUJGW-IADCTJSHSA-N 490.981 6.260 50 1 JKGF Nc1c(C(=O)N/N=C/c2ccc(Cl)cc2)oc2nc(-c3cccs3)cc(C(F)(F)F)c12 1857751771 VXUXHVHDOILUHD-JQAMDZJQSA-N 464.856 5.575 50 1 JKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356306452 CBVJJGRSRFXUPK-FCKUDVSASA-N 458.847 9.248 50 1 JKGF Fc1ccccc1P(CCP(c1ccccc1F)c1ccccc1F)c1ccccc1F 43260110 AUHKQDDXMQVAJZ-UHFFFAOYSA-N 470.386 5.809 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 587073829 PFZVYMKLQYMWRR-UHFFFAOYSA-N 487.719 7.911 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1C(F)(F)F)O2 587383344 WHLRDSYUUIFEHW-KRWDZBQOSA-N 493.117 5.614 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539321 VMYUTIYSTXEQIX-MIZPHKNDSA-N 473.750 6.076 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 587671678 ABFSTFNDRRFAOP-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587671930 BOICPZUHHIWTSS-IVZQSRNASA-N 496.262 5.751 50 1 JKGF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(CBr)c2ccsc2CCN1C(N)=O 962707667 PYHAEGCIVWPRGZ-IBGZPJMESA-N 482.856 5.409 50 1 JKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(c3ccc(F)cc3C[C@@H]3CCCN31)c1ccccc1C2=O 963099856 JZOZPWJPYAKDTN-SOKVYYICSA-N 495.381 5.513 50 1 JKGF COc1cccc2c1ccn2CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857537560 OYUOKTHFWIGGPQ-UHFFFAOYSA-N 478.596 6.814 50 1 JKGF CCCC[C@]1(OC)OOC(c2ccccc2)(c2ccccc2)C[C@H]1CNCCCn1ccnc1 1857601380 LTCIYKAHTSNRLJ-XCZPVHLTSA-N 463.622 5.308 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 2356410417 KZOBOICRKKYGAQ-LIZHAOKLSA-N 452.679 7.045 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](Cl)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 29550123 BKVZKDRSLCITJQ-RQKOWZFMSA-N 489.140 7.515 50 1 JKGF CCCCC[C@H](O)[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/CCOCc1ccccc1 195472260 IWQUVUIDHNEBRL-YMRXQADZSA-N 474.758 6.686 50 1 JKGF CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)OO 255225231 KZGHWXGDVVHWOC-FGDOMUFVSA-N 474.726 7.206 50 1 JKGF O=C(O)c1cc2[nH]c(/C=C\CBr)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586972963 DHBGOKOBRHTWJW-UPHRSURJSA-N 491.297 5.253 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586973406 JUSRWMYATRWFDM-VIFPVBQESA-N 462.107 6.391 50 1 JKGF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587057415 WHJXZEXXZGRXPC-GFCCVEGCSA-N 457.317 5.406 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323414 REJJXWAYMPKBEN-AZGAKELHSA-N 483.377 6.379 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C 587325762 HBZWTZYHEXNJQB-RPLLCQBOSA-N 497.950 5.564 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 587326285 KBTDGFXKLJRCEM-NOZRDPDXSA-N 454.881 5.186 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)O2 587373608 MHESLYBKRMYGDW-UPCLLVRISA-N 452.348 6.014 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587671049 OFKFDOXTCQADBG-DDBGAENHSA-N 461.600 5.803 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587722330 SGTWAQBYRIBYJS-DYZYQPBXSA-N 497.124 5.660 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)s2)N1 587848673 PGETXYQIQJQIEQ-VXJOIVPMSA-N 453.602 5.476 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(c1ccccc1)[C@H](Cl)C(=O)Nc1ccccc1 963269941 MYPNAZYRTRPXPO-VWNXMTODSA-N 469.810 5.427 50 1 JKGF ClP1(Cl)=N[P@@]2(Cl)=N[P@@](Cl)(=N1)OCCOCCOCCOCCO2 44052712 YXXZLWFIRYHKLU-ZRZAMGCNSA-N 468.966 5.890 50 1 JKGF O=C(N/N=C/c1cccnc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 49802551 MPAHRWCBHGOYRH-IPBVOBEMSA-N 453.346 5.022 50 1 JKGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 96934054 LVUNKWKXQCVJFT-UKAVVXHISA-N 497.263 5.571 50 1 JKGF O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 103293317 DFBDUWBXCHCHFM-YDZHTSKRSA-N 464.528 5.239 50 1 JKGF C/C(=C\CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O)CC/C=C(\C)C[C@@H](O)[C@H]1OC1(C)C 103553918 MDMHPISVCFYXMN-IETXSBCNSA-N 490.725 5.823 50 1 JKGF biogenic,in-vitro Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 221817087 WBACZIGNMMQGOU-OAQYLSRUSA-N 468.397 5.581 50 1 JKGF Cc1ccc2c3c(cc([C@H](Br)Cc4ccc(Cl)cc4F)nc13)-c1ccccc1C2=O 586994699 CMLIRZKOUAQYSV-HXUWFJFHSA-N 480.764 7.226 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O 587416706 CNBGVVUKUIZWLF-QCDSWUKFSA-N 480.947 6.432 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCc3ccccc3)cc1)CC2=O 587455909 HMSXNWDBFZNDOA-SANMLTNESA-N 481.386 6.179 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Cl)c1Cl 587538273 OMUJAJONUSENJH-UWJYYQICSA-N 480.141 5.951 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 587730732 XWSVJYGQQGASGR-NCDWJDPGSA-N 493.617 6.136 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)C(c3ccccc3)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653728143 ZLWXBGZFJGXLFU-PZQBINCASA-N 478.585 5.570 50 1 JKGF COc1ccc2c(c1OC)[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(C(=O)c1ccccc1N)CC2 963137960 HZCJJSXRSQIDMW-JOCHJYFZSA-N 484.713 5.828 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CC(C)(C)CC2=C1[C@H](c1cccnc1)C(C#N)=C(C)N2 963608567 LIOWVHILAVMAJY-QGGCDAQJSA-N 470.617 5.087 50 1 JKGF CO[C@]12CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C1=CC1=C(C=O)[C@H]([C@H](C)CCC=C(C)C(=O)O)CC[C@]12C 2356541686 WTJIREHJYGENBE-FCOMJWMOSA-N 496.688 6.476 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=C\c1ccccc1F)/C2=C(\C#N)C(N)=O 96916455 FSCLYZJFGRMFBP-YUKUVMRZSA-N 460.593 5.448 50 1 JKGF C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1n1ccc(O)nc1=O 254240964 ZUYKHQFLMLDXJZ-QCFAMHMHSA-N 496.797 5.451 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319705 CRZVCBDMEPOEPG-FKIJXQQXSA-N 471.322 5.578 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323327 QSVYQVHPLSKMED-ZDHXQXDLSA-N 497.404 6.867 50 1 JKGF CC(C)(c1ccccc1)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323998 VHQYHFLDBVANOV-RDGATRHJSA-N 469.350 6.002 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc(Cl)sc2Cl)[C@H]1c1ccc(F)cc1 587370774 BEABPIOESFJWMN-FXAWDEMLSA-N 457.737 6.393 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)O2 587382423 PQNOLAFXCJBYPN-QGZVFWFLSA-N 493.117 5.614 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2N)N1 587676201 CUIDSBJZZIIMGT-YPMLDQLKSA-N 476.615 5.340 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587682800 DJXQWMVBFBSORZ-DMZKTXOQSA-N 467.810 5.589 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587687139 FWUYKPQECZHKCQ-XMHCIUCPSA-N 465.794 5.664 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 587719745 REXFALYVIOCPAM-MLCYQJTMSA-N 479.134 5.362 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 587855235 HXSBTOLBRWBMQO-WRQNJVJSSA-N 478.818 5.898 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3sccc3c2)N1 587855330 FWGLSWJIPWDDKH-JEOXALJRSA-N 469.217 5.976 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963241907 OQOJCZZRTFZUDY-LENDJVGKSA-N 477.004 5.562 50 1 JKGF CCCCCCCC[C@H]1CC2=C(C[C@@H](CCCCCC)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356741064 GOPLCHHJWCAECO-MOPGFXCFSA-N 476.610 5.970 50 1 JKGF Cc1cc(Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)ccc1Cl 103293333 BIDYLJGAIBCTPJ-DHRITJCHSA-N 468.003 6.293 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238732934 UXUZTOWVOFDKQQ-DIYOIWJDSA-N 456.711 7.417 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 587323336 QUWGMSHABSSTHE-UPVQGACJSA-N 467.290 5.927 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 587327982 AEFAMKATXFWXMU-DENIHFKCSA-N 481.239 5.598 50 1 JKGF COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587328786 VOJDGEWUGWQLSZ-VPUSJEBWSA-N 499.966 5.396 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccccc2c1 587538132 NSUJIFCWCGEBGB-RDGATRHJSA-N 461.311 5.797 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556958 LFGCYKRTKSXMCT-BTVIPZOUSA-N 479.248 5.450 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674582 XQUUHQXTMPHSCV-NSPYISDASA-N 491.626 5.731 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21NCCc2c1sc(C)c2C 963014245 UOXUMPVVLAVUNW-YWEHKCAJSA-N 470.041 6.317 50 1 JKGF C=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)c(O[Si](C)(C)C(C)(C)C)c1 1857654920 XMMOIYYBNFIVNK-HSZRJFAPSA-N 485.653 5.749 50 1 JKGF O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc(Br)cc2)cc1 103293324 WWLBQNOXKZALKW-ZMOGYAJESA-N 498.427 6.094 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058417 YVJATAOJDPOGGY-AUWJEWJLSA-N 453.289 5.645 50 1 JKGF O=C1c2ccccc2-c2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)nc3cccc1c23 587101232 FIMPGKVZHJOURH-UHFFFAOYSA-N 497.348 5.180 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322234 LTDSEOHUJSYAQW-VKCVVMHYSA-N 475.741 6.223 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587496980 BBOFLSNYNUXNLL-RUZDIDTESA-N 454.408 5.811 50 1 JKGF [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538986 TVHZEHAORUZFQK-GHTZIAJQSA-N 452.264 5.586 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587684590 LFVCTLCNAQDLPA-PEBXRYMYSA-N 464.762 5.529 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587686451 CTOCLZBPPFPIRM-SVLHDBBDSA-N 479.821 6.053 50 1 JKGF Cc1ccc(C(=O)/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587966586 WQUJFYFAHKROCV-SREVYHEPSA-N 467.257 7.187 50 1 JKGF ClCCCCCC[C@@]1(c2ccc(Cl)c(Cl)c2)NCCc2cccc(-c3ccccc3)c21 962666798 LINZMTYJFRMYON-MHZLTWQESA-N 472.887 8.239 50 1 JKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCCl)(c2cccc(F)c2)N1 963188151 VSFMUHVTZNAPEA-BEFAXECRSA-N 450.259 5.359 50 1 JKGF N#CC1=C(c2cccc(C#N)c2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772600582 KDHFTCKNVBCJED-QFIPXVFZSA-N 493.407 5.534 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 59796543 IJLWXMAZQWVPRJ-NACCXCFSSA-N 458.727 8.273 50 3 JKGF Fc1ccc(P(CCP(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1 43241937 DDXWLUGLIWPEEO-UHFFFAOYSA-N 470.386 5.809 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323294 JMPGTHOLVGZDLB-NRSLUSSRSA-N 454.881 5.040 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587324033 VPVQRXOXORSUCH-LADGPHEKSA-N 487.321 5.198 50 1 JKGF O=C(Nc1ccccc1)[C@H](Cl)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542721 IJIMRKJKPHHFQY-RXWNPYQGSA-N 485.923 5.495 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587682425 CHEBPRMZQZWPDV-DXPJPUQTSA-N 497.839 6.764 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587715965 YZMHBMDKWJBWJE-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF C[C@]1([C@H](Cl)c2ccccc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963411471 AJVMAXSPDANJSB-OBTVHEKISA-N 458.945 5.515 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2cccc(F)c2)C1=O 1857772830 IZCISLPSYOKKLQ-OAQYLSRUSA-N 466.553 5.772 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccc2ccccc2c1 64448866 LHCWGOJOMBWANE-RUZDIDTESA-N 463.587 6.819 50 1 JKGF C=C(/C=C/C=C(\C)CCC=C(C)C)[C@H]1CC[C@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O 238737108 CKYPHBIOFUNLLX-VBRWORQFSA-N 470.694 5.998 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cnc4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055089 JTUGYYDENJDSHY-BOPFTXTBSA-N 458.352 6.890 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055569 LOTLGOKEECZHLA-VGOFMYFVSA-N 476.194 7.648 50 1 JKGF O=C(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 587163131 MTJVKIFLOPGCSY-UHFFFAOYSA-N 473.236 6.937 50 1 JKGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587321291 IQJGPHBRZDRSOJ-ZTCOLXNVSA-N 491.353 5.147 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(-c3ccccc3)noc1C)CC2=O 587457414 YWFLNHAAJWXANX-QHCPKHFHSA-N 456.336 5.564 50 1 JKGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587538610 QAWLEKDBHNMVAH-KNQAVFIVSA-N 475.722 5.306 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672299 ZKMYKQRMNHRNFY-LKBUQDJMSA-N 469.236 6.273 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 587673180 LBLKNLSKYZIXFP-ZSEKCTLFSA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)cc2)N1 587679977 NFPCOTDYCPYFOP-CWTRNNRKSA-N 475.627 6.148 50 1 JKGF Cc1c(F)ccc2c1[C@](c1ccccc1)(c1ccc(S(F)(F)(F)(F)F)cc1N)NCC2 962148671 SYTPTBWBNPCLQG-QFIPXVFZSA-N 458.471 6.811 50 1 JKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857754925 GDQYGOWANCTVTH-NJHZRGNWSA-N 479.543 5.324 50 1 JKGF Cc1c(Br)cc2c(c1Br)O[C@]1(CBr)[C@@H](C)CC[C@@]21C 2356787726 BPZFKJQFSJAGFX-UFTIBIJLSA-N 453.012 5.734 50 1 JKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CCC=C(C)C)[C@@H]1Cc1cc(C(=O)O)ccc1O 96085356 QCSKWFANIUTEHG-KDIQAUPYSA-N 489.494 7.532 50 1 JKGF in-vitro O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587009621 NQLRHBODGQEQGE-INIZCTEOSA-N 471.266 5.235 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(OCc3ccccc3)c2[nH]1 587009838 VSGMBHUUHZXKJP-QFIPXVFZSA-N 458.949 5.262 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587325001 BNDCTWVWDLPMRI-YTMVLYRLSA-N 489.974 6.740 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CCl)cc2)[C@H]1c1ccc(F)cc1 587325215 CWAVIIQJDJYFSX-XTEPFMGCSA-N 458.916 6.573 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1Br)([C@@H](C)Br)CC2=O 587455591 DLOPARAEGIABNO-ODXCJYRJSA-N 468.185 5.751 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 587543593 COMRFQQAGYDQBM-RXVVDRJESA-N 497.238 5.802 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2coc3ccccc23)N1 587672706 HFPVDZZKPXHIFU-NSPYISDASA-N 453.149 5.507 50 1 JKGF COc1ccc2cc([C@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587673228 LNEKQUSRGFREER-XMHCIUCPSA-N 493.214 5.923 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587679346 LTTHGRUYUUYLNR-LIBAHTEVSA-N 461.600 5.756 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587703464 GVPDKZVSMUITTM-MTHQLEKQSA-N 482.674 5.244 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711751 LSLFDICDVSJKIL-QGHHPUGFSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 587723715 BXTFHSKUCKAELY-LARMWNDWSA-N 477.162 5.622 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 587855525 WFGSEOSOPGHQSW-QKFKETGDSA-N 495.889 6.327 50 1 JKGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4ccc(Br)cc4)cc3)[nH]c2cc1C 1857555789 XFUHLFZXIWLKEQ-UHFFFAOYSA-N 494.418 5.241 50 1 JKGF C[C@@H](CCCC(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356330601 TUKFJQKYIHLUEX-IHVWMDIFSA-N 460.743 7.861 50 1 JKGF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@]34CC[C@H]5[C@@H]6OO[C@H]6CC[C@]5(C)[C@H]3[C@H](OO4)C(=O)[C@]12C 2356625806 AMDQNMUODBOOSA-BUJHQBDVSA-N 458.639 5.681 50 1 JKGF O=C(NN/C=C1\C=Nc2ccccc21)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 13119324 KWQRVGHYVYOCOG-JQIJEIRASA-N 457.331 5.589 50 3 JKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](I)[C@H]1CCC(=O)O1 28337156 XAUVUVPAWZOGHZ-PQCFQPKDSA-N 468.419 7.027 50 1 JKGF CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3ccc(Br)cc3[C@@H](O)[C@@H]12 137419323 RAYCXYWICCNQQJ-KNCOVGOOSA-N 483.038 5.208 50 1 JKGF N[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1F 587150630 NUSWSXKWFSKHFR-LBPRGKRZSA-N 464.204 6.309 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc([N+](=O)[O-])cc1Br)CC2=O 587457397 YGLYSEOPOIMKGX-LJQANCHMSA-N 499.155 5.271 50 1 JKGF O=C1C[C@](CBr)(c2ccc(F)cc2Br)Oc2c1ccc1c2CCCC1 587504715 NDBVUCTWGZMSFD-FQEVSTJZSA-N 468.160 5.723 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587544540 OAYPGQNTKSLVML-OZXSUGGESA-N 463.917 5.548 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682542 CQIMFUBAICQEGF-USGALAMMSA-N 481.837 5.062 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587727012 AYZKJGZMBMZWPW-SBKAZYGRSA-N 499.149 5.006 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587728170 DFIIEOCFJPQMRK-ZLOXQWCVSA-N 479.796 6.151 50 1 JKGF Cc1cc([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1-c1ccc(Cl)c(Cl)c1 962930171 KTLQWKHKLZIYNH-RUZDIDTESA-N 490.862 5.731 50 1 JKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C#N)CC[C@H]1C 1857654971 LONVROBXBQTBMD-ILAKURSLSA-N 458.690 7.406 50 1 JKGF C=C(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OC(C)=O)CC[C@]12C)OO3 2356799737 UUEPVSUUMBOSHU-YMJSHPDHSA-N 468.678 6.965 50 1 JKGF COc1ccc(-c2nc(SC(F)(F)[C@@H](F)Br)[nH]c2-c2ccc(OC)cc2)cc1 28220226 MRWZBCIIRHRSTA-QGZVFWFLSA-N 473.314 6.136 50 1 JKGF CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl 135831874 IZEIAWQSEBOFIG-UHFFFAOYSA-N 498.535 8.156 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587017443 MANMLKIPNQFNLG-UHFFFAOYSA-N 486.285 7.290 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055792 MUCBIPRSFXWTBY-YBEGLDIGSA-N 485.396 5.745 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058379 YLSOMNMHQZIHMT-SXGWCWSVSA-N 451.313 6.040 50 1 JKGF O=C(CI)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587103266 DRYKOMYSOORWDQ-UHFFFAOYSA-N 490.300 5.487 50 1 JKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587504205 GPQCRXKFMXXEKO-YWAHNQHBSA-N 478.995 6.068 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C 587544172 MYPMCRYFYJSSSI-BKMJKUGQSA-N 481.932 5.028 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587681757 AMAYOTBGUYSINS-MQNRADLISA-N 483.812 6.753 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845060 MNPJMMSYNYJGPI-XTZNXHDOSA-N 460.199 5.887 50 1 JKGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962671810 XEABMHYVFXAMCS-ZCYQVOJMSA-N 450.376 5.070 50 1 JKGF Cc1cccc([C@@]2(CCCCCCCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963193166 LBEIUSCEXYXEDR-KYJUHHDHSA-N 457.061 7.551 50 1 JKGF Cc1ccccc1[C@]1(CCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963471114 MVDAWACYTGYEFP-ABYGYWHVSA-N 486.999 5.891 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 169714129 UHDIBEGNYLWRAG-PMWCCKDCSA-N 483.656 6.129 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586879146 FIFVFIAEAWWLKU-UHFFFAOYSA-N 453.274 7.917 50 1 JKGF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2C1 587031928 NOJUXVCLIPCSJS-UHFFFAOYSA-N 481.512 7.242 50 1 JKGF NC(=O)Nc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587243483 MSGSJEQLEIBKJJ-UHFFFAOYSA-N 457.222 6.140 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccnc(Cl)c2)[C@H]1c1ccc(F)cc1 587324522 ZZZSGWSILFHXBZ-FPOVZHCZSA-N 462.702 5.229 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325402 DVTWCJPPADXXGW-VRUMLPLGSA-N 491.987 5.807 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC(C)C 587328955 WRLQYNSLZBONGL-XNMGPUDCSA-N 469.984 6.489 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)O2 587380838 BNNKZQIAUZLCTE-QGZVFWFLSA-N 464.665 5.385 50 1 JKGF O=C1C[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)Oc2c1ccc1c2CCCC1 587499796 PFURYMBZJKHYMR-QHCPKHFHSA-N 472.766 6.129 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 587673794 PZTZJSAWWSBEOB-MPBGBICISA-N 453.193 5.250 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2N)N1 587676200 CUIDSBJZZIIMGT-XTZNXHDOSA-N 476.615 5.340 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587686300 CFOPJDUVEOHZFD-BRZCCTTDSA-N 457.815 5.231 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 587688314 LGDRPPABMHTICR-MYYSRTQBSA-N 475.833 6.071 50 1 JKGF FC(F)(F)c1ccccc1[C@@]1(CCCCCl)NC2(CC2)Cc2ccc(Br)cc21 961327787 VHDQGSUBOMBCBQ-OAQYLSRUSA-N 472.776 6.799 50 1 JKGF COc1ccc([C@@]2(CCCCCCCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1OC 962568938 LUHJADBVNDMXOJ-WINIVTDRSA-N 476.057 6.030 50 1 JKGF Brc1ccc2c(c1)[C@@]1(c3ccsc3CCN1Cc1ccco1)[C@H](Br)C2 962700108 BRHUKMWANNBZFE-UXHICEINSA-N 479.237 5.725 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)NCC2 962928085 GMRCVCJSFDUZEP-NOZRDPDXSA-N 483.837 5.567 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957548 NFUUUQWVHWGXJH-UZUQRXQVSA-N 491.966 5.708 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@H](C(C)=CCC[C@]2(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)C[C@@H]1O 2356448439 DFJMIRLFDMBSHL-IUGZAPLBSA-N 490.725 5.823 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@@H]1CC[C@H]([C@@]23C=C[C@@]4(C[C@H](O)CC[C@@]4(C)C2=O)OO3)[C@]1(C)CCO 2356800328 PYCSWFKPEPDESO-OSLMEANZSA-N 488.709 5.485 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](C)Cl 16570131 XRQATIZLYUTCBC-CJAUYULYSA-N 467.972 5.308 50 1 JKGF Cc1ccc(NC(=S)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 299828775 WPADCXJPSUQIIT-UHFFFAOYSA-N 470.642 5.642 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)c(F)c3F)nc3ccc(O)c1c23 586987172 UCHGBJOXCHKZIH-OAHLLOKOSA-N 484.271 6.248 50 1 JKGF CCCOc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009532 KFLGWPDZYRIOTE-IBGZPJMESA-N 489.801 5.234 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055567 LOTLGOKEECZHLA-AUWJEWJLSA-N 476.194 7.648 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325410 DZHMNYILDSPXJM-SHQCIBLASA-N 481.951 5.908 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587325873 HEWQHDAWSMBCMW-YIXXDRMTSA-N 481.951 6.009 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@@H]1c1ccc(F)cc1 587371740 CWCPTABDCFHYRT-IAPPQJPRSA-N 467.521 6.568 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 587376831 QGMIGRJJWBSSCD-RBBKRZOGSA-N 495.797 6.629 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)O2 587383066 QMMQKZILJCBGOT-QHCPKHFHSA-N 478.898 5.983 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OCc3ccccc3)c1)CC2=O 587456241 LKIIUCPQTGEOSR-SANMLTNESA-N 481.386 6.179 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3c(CC)cccc13)([C@@H](Cl)c1ccccc1)CC2=O 587458819 LJHLEJDDQGHLDN-VMPREFPWSA-N 474.000 7.229 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587678410 CACKCUYXVNTDIJ-OIRASMEMSA-N 484.752 5.338 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587683402 GVSYYZNJDWGDGB-DYBLOJMWSA-N 471.153 5.710 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@@H](C)c1ccccc1 587688789 OFYMZELRYHAHHB-RTNKVPBISA-N 489.860 6.632 50 1 JKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)NCCc2nc3ccccn3c21 962989235 ZKCAMCAOIHWVDQ-XMMPIXPASA-N 485.802 5.256 50 1 JKGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1ccc(-c2ccccn2)s1)NCC3 963054404 HBRVAJPXATYVMT-HSZRJFAPSA-N 466.404 5.151 50 1 JKGF C[C@](O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857609947 LRAZBDSXULWAIQ-INIZCTEOSA-N 481.361 6.011 50 1 JKGF CCCCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751307 VOVKNHUGNMSCMG-UHFFFAOYSA-N 467.784 5.987 50 1 JKGF Cc1cc(Cl)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)CC(C)(C)C 103210035 QCLMOAAECIICGS-UHFFFAOYSA-N 455.908 5.477 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)c(F)c3F)nc3cccc1c23 587103155 FREZAIALIBOIRW-QGZVFWFLSA-N 468.272 6.542 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587327727 RCZDEEPMNCNORY-PXJZQJOASA-N 489.974 6.740 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)CC2=O 587460780 PGCHRKIOFRFTKY-HHHXNRCGSA-N 481.976 5.640 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)CC2=O 587464620 URVCQDQRWCBZDV-IBGZPJMESA-N 459.258 5.499 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)cc1 587548423 ULVJEHIGVGLBJE-NFBKMPQASA-N 473.750 6.031 50 1 JKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)NCCc3c2c(C(C)C)nn3C)cc1C 962918228 NSDUSFMSXOOUHQ-NSOVKSMOSA-N 464.053 5.657 50 1 JKGF CCCc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962922366 CPHJTWGOLQJAJC-LMXXEPQWSA-N 465.977 5.607 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(N3CCC(F)(F)CC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772612825 HCRWSFWTSSLRDU-JOCHJYFZSA-N 481.469 5.001 50 1 JKGF CCO[P@](=O)(c1ccccc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 44405614 CERSBPFQTQSOCX-WJOKGBTCSA-N 462.511 5.515 50 1 JKGF C/C1=C/C[C@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O 100308293 JBVAFOMCWIFYSA-NZCUQQMUSA-N 479.400 5.619 50 1 JKGF in-vitro O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1)c1ccncc1 102413796 LAGLZTPENDRQHY-YCAMKHIRSA-N 479.411 5.976 50 1 JKGF Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587322937 PQXHKSJZTJVZDO-RDGATRHJSA-N 481.317 6.235 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)CC2=O 587461043 VZSDMHROZVOSEJ-IBGZPJMESA-N 479.187 5.336 50 1 JKGF Cn1c(-c2ccccc2)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587496068 BJRHCYLHYBJYKG-LJAQVGFWSA-N 455.985 6.824 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587496994 BEPITTVCJMWBTN-YEJXKQKISA-N 464.197 5.972 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 587531897 NJDUAWKVVARYMJ-HSZRJFAPSA-N 454.389 5.945 50 1 JKGF CSc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1NC(C)=O 587615813 YYSMCBNQOFASTN-XUZZJYLKSA-N 469.946 5.168 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 587857181 ZZZHPXKRYLPHTG-MQJDWESPSA-N 482.850 5.777 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)c2ccc(F)cc2C[C@@H]2CCCN21 963117915 ZPTQBGBJPCPTKF-IADCTJSHSA-N 477.023 6.342 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cccc(OCC(F)F)c1 963186941 HDBYTDBEQFWQRB-RSXGOPAZSA-N 497.383 6.092 50 1 JKGF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@@H](c2ccccc2)[C@@H](Br)C(=O)O)cc1 13756140 ULXYLNLYZUYLJG-DHIUTWEWSA-N 492.417 5.639 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O 28647099 KZMOSVHCAINXLS-HOVNOGKFSA-N 488.709 5.409 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccccc3)no2)[C@H]1c1ccc(F)cc1 587323788 UHJVULAOWRCSSH-ZCYQVOJMSA-N 494.316 5.836 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328850 WDXWLSBBDYAGHM-AOYPEHQESA-N 467.924 5.763 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Cl)[C@H]1c1ccc(F)cc1 587332134 JDAKXEABNSPNLQ-RBBKRZOGSA-N 479.704 5.973 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl 587496181 BUGRGVMOVLNUHP-AREMUKBSSA-N 488.842 7.379 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1 587538122 NSAIKEWTJJNLJJ-GHTZIAJQSA-N 490.147 5.407 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C 587541928 DTPKUZHLKOLLNR-NVQXNPDNSA-N 483.948 5.274 50 1 JKGF CCCc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671900 BFTVRKNUPZKZLR-XCLFUZPHSA-N 455.209 5.713 50 1 JKGF CCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674467 WUYZXFHPGASJDZ-CWTRNNRKSA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Cl)N1 587725361 CTJSMOSVZFWRMN-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF Fc1ccc(F)c([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962633576 LXPJWJCONNMDQM-BWKNWUBXSA-N 469.373 5.350 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(N3C[C@H]4CCC[C@@H]4C3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772656343 UVNLDLCBDFRUCP-JOWJHRDDSA-N 471.527 5.002 50 1 JKGF CCCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857638671 KVJHRGLNNLNOTL-UHFFFAOYSA-N 453.757 5.597 50 1 JKGF CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 34802456 RLSQANCMFFQJAN-ABDBUPHLSA-N 460.386 6.323 50 1 JKGF C=C[C@@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 44431518 RBCZOQQEGCYPRX-VCSMOVLLSA-N 458.683 6.592 50 1 JKGF CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 103202267 JZWDGQJBGHNOGZ-NHFXJNLRSA-N 468.556 5.763 50 1 JKGF N#CSc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 103273104 OCRXGLLVPKWKLS-UHFFFAOYSA-N 487.725 5.906 50 1 JKGF C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1n1ccc(=O)[nH]c1=O 195475191 ZUYKHQFLMLDXJZ-YHELAOLJSA-N 496.797 5.039 50 1 JKGF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587174908 NWBNMSHLVBOGPR-CYBMUJFWSA-N 499.278 6.846 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)cc1 587329141 KQDPYGFKPXIFBF-NFBKMPQASA-N 493.275 5.782 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C)c(F)c3)c1C)CC2=O 587466622 MQLDGLPVAQVWPU-AREMUKBSSA-N 455.957 6.299 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C)c(F)c3)c1C)CC2=O 587466623 MQLDGLPVAQVWPU-SANMLTNESA-N 455.957 6.299 50 1 JKGF COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587538173 CTWLIYPSJZVKBB-SIKLNZKXSA-N 475.722 5.259 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587684046 JTJSZISXZNCTIB-WHEQGISXSA-N 467.810 5.589 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccccc2F)N1 587729432 VKLVTVLEGHASOY-RWTORFTKSA-N 459.172 5.483 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1Cc1ccco1 962698295 GRMGFQQNIROXDI-NZCIYTFRSA-N 498.904 5.374 50 1 JKGF O=[N+]([O-])c1ccc2c(ccn2CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 1857537821 BNPAKGVKAGCHDV-UHFFFAOYSA-N 493.567 6.714 50 1 JKGF C[C@H]1C[C@@H]1[C@H](C)C[C@H](O)[C@@](O)(CCl)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356495864 IDJFQGHMTPJXRG-GVOSYZNJSA-N 495.144 5.198 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 38151424 ICFOPLOPLNRVLF-YAXSBPDSSA-N 477.689 7.112 50 1 JKGF N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933482 GBEAHOIFAVNWLW-DQEYMECFSA-N 491.938 5.564 50 1 JKGF COc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 98082167 LKJWEHAIQAZPDY-DEOSSOPVSA-N 453.498 5.159 50 1 JKGF Cc1ccc2c3c(cc([C@@H](Br)Cc4ccc(Cl)cc4F)nc13)-c1ccccc1C2=O 586994698 CMLIRZKOUAQYSV-FQEVSTJZSA-N 480.764 7.226 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323517 RGYCEZIDUAURCM-XNMGPUDCSA-N 497.404 6.913 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671573 UITPJALMHDIKOT-UFYHVXEKSA-N 475.627 6.111 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 587674538 XMYKSVUBNWCTIR-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587702054 DGWHLHZKHONNJV-CBUPOEEASA-N 482.674 5.509 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 587855232 HXSBTOLBRWBMQO-GUMZUTKCSA-N 478.818 5.898 50 1 JKGF COc1ccc2c(c1)CCC=C2Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587934730 NOBPAEYFUZPQPE-UHFFFAOYSA-N 495.311 7.564 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)N2Cc3cccc(F)c3C2)cc(C(F)(F)F)c1 1857651077 JXBYBPRMRBJJIJ-UHFFFAOYSA-N 470.894 5.618 50 1 JKGF ClCCN(CCCl)CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 28373100 IBWGZFMCPCBGBU-UHFFFAOYSA-N 454.401 6.290 50 1 JKGF CCC[C@@H](Br)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O 114390607 RLWGHQYUVXRJSG-CYBMUJFWSA-N 478.022 5.478 50 1 JKGF O=C(Cl)[C@@H](Br)CC[C@H](Br)C(=O)c1coc2ccc(Cl)cc12 587275570 BQQSMEQQWLUZIQ-QWRGUYRKSA-N 456.945 5.342 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323514 RGYCEZIDUAURCM-AHKZPQOWSA-N 497.404 6.913 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 587415766 WZGGQYWHCHQAMA-AREMUKBSSA-N 481.017 5.604 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587538479 PHUJRUDMNRABQT-DRPSWDKDSA-N 485.330 5.050 50 1 JKGF Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587556265 NVWBHFUYSPGVPU-XXBNENTESA-N 491.284 5.554 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587673555 OEUQCTXBRICHRQ-OYHNWAKOSA-N 496.262 5.751 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2sccc2Br)N1 587845037 QGQHFYGPTIQHEB-VXJOIVPMSA-N 453.602 5.429 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1-c1ccccc1F 962722587 XZCVDPOGLACYQU-BCHFMIIMSA-N 473.032 6.218 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)NCCc2c(Cl)cc(Cl)cc21 963106806 LOGMQIKKKHHQOW-FYSMJZIKSA-N 491.256 6.745 50 1 JKGF C[C@@H]1CC2=C([C@H](c3ccc4ccccc4c3)C(C#N)=C(N)O2)[C@]2(C1)NCCc1cc(Cl)ccc12 963390858 NQJLYIITKFERIG-VJBFRVQZSA-N 468.000 6.026 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CC[C@H]1C(C)=CC[C@@H](C)C1(C)C 2356484739 GJYZRMAFYKGFKM-WYNUAOSLSA-N 472.754 7.577 50 1 JKGF C=C(C[C@H](O)C=C(C)C=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 2356611800 KUSJNVJEIABOSC-RHPKSQKZSA-N 454.695 6.693 50 1 JKGF C[C@H](/C=N/NC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccc2ccccc2c1 49047190 IDWYIKKBWIELGO-FYHAJLKWSA-N 452.352 5.227 50 1 JKGF CN([C@H]1CC[C@H](O)CC1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 102990430 YVSWZWZPFGBKJU-FGYAAKKASA-N 474.667 5.154 50 1 JKGF CCc1ccc(C(=O)N(SOCC(C)C)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103214362 SOCDFZPUFBGDBR-UHFFFAOYSA-N 456.652 6.400 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H](C#N)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473152917 XHCQQXDIZNDAGY-UPLZKIGUSA-N 478.383 5.238 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587370993 CHGNIMZRDOCMTG-VPUSJEBWSA-N 484.478 7.051 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)CC2=O 587457230 WQXUNSXGMQHPPR-OAQYLSRUSA-N 498.757 5.479 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500130 QPBAZMVEXYYAPP-YHAMSUFESA-N 485.418 6.161 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669794 FSWHPGMNFFSQNB-DQNAHFDYSA-N 475.627 6.193 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(F)(F)(F)(F)F)cc2ncoc12 587895613 UAYHCHAJJPIYFV-UHFFFAOYSA-N 485.261 6.502 50 1 JKGF CC(=O)c1ccc2c(c1)[C@](C)([C@@H](Cl)c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962630626 PPHQYKJYXAVCGN-STWLZBDKSA-N 457.954 5.331 50 1 JKGF CNc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 1653499 DRTNXALIYSNZIV-OAHLLOKOSA-N 479.964 5.371 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(C)(C)C)CO[P@](C)(=O)F 95554837 CNYUFYQLPJSYRG-WRMJYKIHSA-N 492.653 8.560 50 1 JKGF O=C(CCN1CCCC1)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 222682966 SOGVKVDQFAIQCK-UHFFFAOYSA-N 492.451 5.039 50 1 JKGF O=C1c2ccccc2-c2cc(-c3ccc(N4CCN(C(=O)CCl)CC4)c(F)c3)nc3cccc1c23 587104411 SZNNZLUHKKLQSJ-UHFFFAOYSA-N 485.946 5.140 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)c1ccccc1)CC2=O 587457416 YXTAGIYKWIVWDV-JWQCQUIFSA-N 451.360 6.342 50 1 JKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499543 VFNMIOWIXQLBBN-WNCULLNHSA-N 470.009 5.644 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(Br)c2F)Oc2c1ccc1c2CCCC1 587502123 IHCAKQKIQBLFPG-HXUWFJFHSA-N 468.160 5.723 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2cccc(Br)c2)N1 587676524 FDQPRCFYSKQXNQ-ADLMAVQZSA-N 461.600 5.562 50 1 JKGF CC(=O)Oc1cccc([C@]2(CCCCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c1 963197225 YRMATSBVKKZLHV-VSGBNLITSA-N 458.989 5.997 50 1 JKGF C[C@](O)(CSc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857551331 PCAGBEMORJGBCY-INIZCTEOSA-N 497.429 6.724 50 1 JKGF C=C(C)[C@H](OO)[C@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356674159 XSBBXSMODSRERW-WTTOSIMSSA-N 474.726 6.608 50 1 JKGF CC1=C2C[C@](C)(CO[C@@H]3OC(=O)[C@]45C[C@@H]6CC(C)(C)CC6=C(C=O)[C@]34C5)C[C@@H]2C[C@]2(C)CC[C@@]12O 2356722526 JVSGWCCMXPFMRE-FIBLFBFASA-N 480.645 5.266 50 1 JKGF CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 96085351 QVXPDENFBGGWAY-FXSXARLRSA-N 487.478 7.856 50 1 JKGF in-vitro C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 169648311 IJSYJQMXPZXWNA-PMEUVPMPSA-N 479.400 5.548 50 1 JKGF CSc1cccc(NC(=O)CC[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@@H]2C)[C@]53OO4)c1 215284214 JKJADITVFSHYMX-NJMGTSEJSA-N 461.624 5.378 50 1 JKGF C[C@]12CC[C@@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 253859992 MQOUPVQZLSJCNN-CAYOFMJWSA-N 483.656 5.771 50 1 JKGF Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl 587055229 LBRMHCLMTWBCLJ-SXGWCWSVSA-N 455.776 7.303 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323868 NDOAUGHTWQZLBL-HVKUTMBPSA-N 453.897 5.371 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2Br)N1 587672671 HBFKYVBQCXHMJM-BMLIUANNSA-N 492.024 5.523 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 587673178 LBLKNLSKYZIXFP-LRTDBIEQSA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587681744 AJXHXLRYJCXUHJ-FIKIJFGZSA-N 465.750 5.309 50 1 JKGF CCCOc1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587778148 HXMNLECGFWJELE-UHFFFAOYSA-N 471.289 7.362 50 1 JKGF CSc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587843763 JIJOOHWGBZGAHC-ADLMAVQZSA-N 459.222 5.483 50 1 JKGF C=CCN/C(SCC=C)=C(/C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957861915 RYHAEMOXDPQBGE-SLEBQGDGSA-N 452.583 5.251 50 1 JKGF C[C@]1(c2cccc(CCl)c2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963001273 AFABCEPKFGBTGH-KCWPFWIISA-N 493.390 5.975 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCl)(c2nc3ccccc3s2)N1 963172052 CIYARKQYUDAXHR-KDOFPFPSSA-N 461.292 5.050 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCl)(c2cccc(F)c2)N1 963175408 BJPPLAUVQSJHMF-FPOVZHCZSA-N 478.313 6.140 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CCCCCl)c1cccc(OC(F)(F)F)c1 963280798 PBLUPXHWCIRLKB-HXUWFJFHSA-N 476.764 6.488 50 1 JKGF CSc1ccc([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963830828 CKEKVHLONYRWMG-SANMLTNESA-N 493.470 6.253 50 1 JKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857549106 VGBFKTWZKPGUFJ-QGZVFWFLSA-N 490.372 6.003 50 1 JKGF C[C@@](O)(CSc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857565431 BDVWXCDOLKECBA-OAHLLOKOSA-N 482.418 6.240 50 1 JKGF Fc1ccc(F)c(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)c1 96272497 NYXOLBZORIYRCC-QGZVFWFLSA-N 478.728 5.459 50 1 JKGF COc1ccc([C@@H]2C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 195386463 WCLXKKILRDJVKN-KCHLEUMXSA-N 493.764 7.388 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3cccc(Cl)c3F)nc3ccc(O)c1c23 586987113 AGIIEZKQOQVOIB-INIZCTEOSA-N 482.736 6.623 50 1 JKGF O=C(CSCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113814 LZJPOKNOHQUFRJ-UHFFFAOYSA-N 491.429 7.111 50 1 JKGF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587121628 IFXPNQQRLNQZGJ-UHFFFAOYSA-N 469.357 7.643 50 1 JKGF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587153923 FEDPEQVBSBXPMR-UHFFFAOYSA-N 493.454 6.827 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 587325291 DHTNEOCRQIXRMT-NOZRDPDXSA-N 466.896 5.420 50 1 JKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 587373106 LDVJSPCGXPMWJL-WIOPSUGQSA-N 497.385 6.704 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587683908 IITQTJLRBJZLFD-WHEQGISXSA-N 467.810 5.589 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCC(F)(F)CC2)N1 587722948 UTJSQAVEBLYWBA-BMLIUANNSA-N 455.156 5.538 50 1 JKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587958309 DTQHVWHRYZTTEM-RCHUDCCISA-N 460.666 7.021 50 1 JKGF CC(C)(C)[C@@]1(COc2ccc(C(=O)Cl)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962704844 DIWBBYNTXNEWOR-GCJKJVERSA-N 453.888 5.032 50 1 JKGF CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 2356599750 KOXZGKSNTSBMQC-IAKCDOKNSA-N 498.748 7.239 50 1 JKGF CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)c2c3c(ccc4c3c1OC4(C)C)[C@H](C)CC2 195469200 DGXLZGXIYPZGDM-HXUWFJFHSA-N 452.755 9.195 50 1 JKGF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587265765 SOOPZJSFXPSGCG-QMMMGPOBSA-N 453.349 6.210 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(C3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587500192 RXCZKTRKKDJOIP-AREMUKBSSA-N 453.420 6.869 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541285 AMBFHUQEVBIWBD-TVIOGVOPSA-N 464.989 6.999 50 1 JKGF Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587542431 HDXSRNIBGIMSBR-FREGXXQWSA-N 495.962 6.647 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1F 587567178 FRZGOTDXKRVZDR-NAKRPHOHSA-N 491.946 6.343 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685940 SDPCHPUDHRNPSR-ZSEKCTLFSA-N 453.783 5.199 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587740166 XAGGFIOPKSKZKL-BTDLBPIBSA-N 460.281 7.043 50 1 JKGF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587929192 GYZRPDNEGNIHOH-XIKOKIGWSA-N 483.300 7.437 50 1 JKGF Cc1ccc([C@]2(CCCCCCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1F 962663441 JWEUYBXJGZNIJZ-KAYWLYCHSA-N 469.000 5.824 50 1 JKGF CC(C)(C)OC(=O)N1CCC([C@@]2(CBr)NCCc3cccc(-c4ccccc4)c32)CC1 962674944 ZIWASUCNYDHDBN-AREMUKBSSA-N 485.466 5.737 50 1 JKGF CC/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C 96903516 BGPDUCDSLDTQPY-PLRJNAJWSA-N 450.336 5.344 50 1 JKGF C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O 257377469 ALBRPHJUQRKZLQ-JQOANROKSA-N 454.695 6.837 50 1 JKGF endogenous,in-man CCS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587054468 FZIXQMZDGUNHQF-GZTJUZNOSA-N 499.423 6.135 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057800 WZSBTFMCIAQHGI-GHXNOFRVSA-N 479.264 6.898 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587321039 BZQCJSNZDSTUDP-QNHXUDFHSA-N 493.918 6.118 50 1 JKGF CN(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323387 QYGPGCZLSYZLQO-ISKFKSNPSA-N 470.338 5.247 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@H]1c1ccc(F)cc1 587329318 XSXZZASYPLEZIS-LADGPHEKSA-N 472.299 5.865 50 1 JKGF COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)[C@@H](C)Cl)c3C)nc3c2oc2ccccc23)c1 587357744 LAJUIPRGBXCTNP-OAHLLOKOSA-N 458.945 7.079 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)c1ccccc1)CC2=O 587457417 YXTAGIYKWIVWDV-LOSJGSFVSA-N 451.360 6.342 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)CC2=O 587463359 XYDMANDDYGDFJM-HXUWFJFHSA-N 473.285 5.628 50 1 JKGF N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587542667 IBCPPATWVKYMDD-JYFHCDHNSA-N 458.901 5.621 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686080 SLIYFGSNHMRLGF-RBZFPXEDSA-N 460.218 5.496 50 1 JKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962762013 IQQNPAVUFSPBRD-GJYPPUQNSA-N 478.711 5.346 50 1 JKGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](C)CC[C@@H]1[C@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC[C@]13C 2356500806 CBRNIVWTBUBBKT-GNCOAASHSA-N 474.638 5.411 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356628676 BDSKDSKGSUVYFT-JBOQNHBVSA-N 474.726 6.613 50 1 JKGF Oc1ccccc1/C=N\c1ccccc1SSc1ccccc1/N=C\c1ccccc1O 18208201 OUHYXWHJDDKIAZ-HJTNQMAYSA-N 456.592 7.398 50 1 JKGF CC(C)C1=C[C@@H]2OC3(CCC(NCCNc4ccnc5cc(Cl)ccc45)CC3)OO[C@H]2CC1 49878061 VHOQQEYWTRNHBM-XCRGSVSZSA-N 472.029 5.620 50 1 JKGF Fc1cccc([C@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587160709 FOSULESXXRAIKA-VXGBXAGGSA-N 457.237 7.393 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@H]1c1ccc(F)cc1 587371744 CWCPTABDCFHYRT-XTEPFMGCSA-N 467.521 6.568 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587413789 QGSRTOMVLVXVJQ-RDPSFJRHSA-N 451.316 5.525 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1sccc1Br)CC2=O 587491587 LZQHJAVZHBNTQM-KRWDZBQOSA-N 460.187 5.424 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587545167 QCBTWEGOENPHTQ-BOEYOXHFSA-N 477.900 5.581 50 1 JKGF Cc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)cc1CBr 587875240 PQGKZJDYEUXPTF-UHFFFAOYSA-N 453.207 5.410 50 1 JKGF CN(C)CCOc1ccc(C(=C(C#N)c2cccs2)c2ccc(OCCN(C)C)cc2)cc1 1772607145 PNCKPSYPTJGJNP-UHFFFAOYSA-N 461.631 5.112 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C=O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 26837548 YDSMZIDWNGKCHC-AJNNAGPSSA-N 482.705 6.723 50 1 JKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 64447386 TUOWZYCUYKWSSK-MMTWIKPJSA-N 469.503 7.175 50 1 JKGF C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O 257377470 ALBRPHJUQRKZLQ-JUAIZGBFSA-N 454.695 6.837 50 1 JKGF endogenous,in-man Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 587338754 VIKGZOUVTBAJKO-IAPPQJPRSA-N 493.937 6.571 50 1 JKGF COc1cccc(-c2cc(-c3cccc(NC(=O)[C@@H](C)Cl)c3)nc3c2oc2ccccc23)c1 587358925 VLKMJWDNGGBAKA-MRXNPFEDSA-N 456.929 6.889 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)O2 587372396 IMPYKDLKWRAIKE-MHZLTWQESA-N 470.366 6.730 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 587379599 YXDLQVZSOQJCNG-XNMGPUDCSA-N 496.003 6.553 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O 587421319 PBTIEIHTAQDYKD-SCLBCKFNSA-N 461.661 5.405 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](Cl)c1ccc(OC)cc1)CC2=O 587457746 CDTOCWZZZAMDFJ-RRPNLBNLSA-N 466.961 6.203 50 1 JKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc1C2 587498542 OGHSQKWKFWTLDH-LJAQVGFWSA-N 491.414 6.658 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CBr)cc1 587539541 WYYMWZXGKISHLQ-RPLLCQBOSA-N 487.349 6.193 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587669661 FSUYAIUEAFWGNY-PVUDRZGPSA-N 487.207 5.167 50 1 JKGF C[C@@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857598602 LHXOFSLZHLFCER-MRXNPFEDSA-N 465.362 6.131 50 1 JKGF CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(C[C@@H](Cl)c3ccccc3)c2n1 28862025 UVNUZNGUCOSYET-HXUWFJFHSA-N 457.430 6.441 50 1 JKGF CCN(CC)Cc1ccc(CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 43911267 BYGPDRBTIOZSOT-AGICHSQBSA-N 459.627 5.253 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc(C(F)(F)F)cc1 84587646 SATSVPAVQNGNHE-CCVNUDIWSA-N 468.504 5.498 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 587689174 QMGFQHSDPBCEIO-IFBNWGMOSA-N 477.849 6.257 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21NCCc2c1sc(C)c2C 963014238 UOXUMPVVLAVUNW-UFHPHHKVSA-N 470.041 6.317 50 1 JKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857598286 LXVFWNNANVIIQE-QGZVFWFLSA-N 490.372 6.003 50 1 JKGF O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1)c1ccncc1 102415034 QTEIZCYPMXQUAV-NEWJYFPISA-N 479.411 5.976 50 1 JKGF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(F)(F)(F)(F)F)cc3)c2F)cn1 224546884 WFZGFXJWQFPJCI-UHFFFAOYSA-N 475.458 7.369 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299815060 RIYAQYSWWBDTAS-HAUCMDCVSA-N 482.705 7.350 50 1 JKGF CCOC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587056820 RWGJACIWDMTXCW-WQRHYEAKSA-N 479.367 6.518 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 587324038 VQBNAYHTEHNIQF-IFMALSPDSA-N 472.266 5.089 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325776 ZEUOMMSOISDBTO-ABYGYWHVSA-N 498.893 5.757 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)CC2=O 587463358 XYDMANDDYGDFJM-FQEVSTJZSA-N 473.285 5.628 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1scc(Br)c1Br)CC2=O 587494830 YXXYYEDRKKRKRV-KRWDZBQOSA-N 494.632 6.031 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685672 RGVCTYIRGNJGKS-CYFODOTGSA-N 463.819 5.106 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587687136 FWUYKPQECZHKCQ-DMZKTXOQSA-N 465.794 5.664 50 1 JKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587719675 QYNGRZGZDRVAMT-WYRIXSBYSA-N 493.161 5.671 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2F)N1 587720470 RRQUJGFEDZNICE-MGNBDDOMSA-N 479.590 5.897 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726142 UYJUQNXOKFKCTP-AUSHCKSDSA-N 463.135 5.428 50 1 JKGF N#Cc1c(CCl)c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n2ccccc12 962958127 MWJMWHYYMUZCNV-NRFANRHFSA-N 459.899 5.309 50 1 JKGF Cc1cc([C@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c(C)n1[C@@H](C)c1ccccc1 963005304 HUPMAJDYTOIWIU-KMRXNPHXSA-N 476.089 6.711 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(c3ccccc3C2=O)c2c(F)cccc2C[C@@H]2CCCN21 963106111 QRJMTNRHBQZMHA-FEPJPAMPSA-N 474.963 5.248 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)NCCCl 1772633269 NXWFUKNVRMQPGM-ONEGZZNKSA-N 485.975 5.799 50 1 JKGF C=C1CC[C@@H]2[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 1857645647 ACVBUKJSDGXQLL-WIBYEBPXSA-N 488.785 6.968 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@]2([C@H](O)O1)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356461796 UYSHRHKOHCLBCE-VDFIJDOYSA-N 486.693 5.724 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 2356560216 PRYJZWFEVZHKQI-PJQINWJZSA-N 477.173 8.857 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1cc2ccccc2nc1Cl 64453989 NWWQWOICQZAMMR-QHCPKHFHSA-N 499.020 6.867 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc(Cl)cc3)ccc21 299864546 MKUXYIGAOQEUCP-CCVNUDIWSA-N 485.802 6.837 50 1 JKGF N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327240 FSNHBLXYZXUDEN-GMAHTHKFSA-N 473.447 6.019 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587672624 GRBOHQSKYQZSMD-BMLIUANNSA-N 454.141 5.703 50 1 JKGF COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686806 XNOAJXQEMVEELY-WVDJIFEKSA-N 454.723 5.065 50 1 JKGF Cc1cc(C)c(C2(C)CC(C(=NNC(N)=O)c3cc4cc(Br)ccc4o3)C2)c(C)c1 2356311118 LVZCKJSTPPLACN-UHFFFAOYSA-N 468.395 5.861 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 40423205 KURVDYLMKZWHPS-OGLMXYFKSA-N 470.529 5.858 50 1 JKGF Cc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2cc(N3CCCC3)ccc2n1 49766333 KEMWGLUEWVCEFC-UHFFFAOYSA-N 486.447 6.071 50 1 JKGF C=C(C)[C@@H]1OOC(C)(C)O[C@@H]1CCO[C@H]1C[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 101651373 OBYJIPBVADTKTM-AKQBICQJSA-N 466.615 5.087 50 1 JKGF N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 103216947 QIQVCSIVHJJFCO-YCDBXGQUSA-N 453.904 6.416 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055238 LFKMHJQFBYEDFU-GDNBJRDFSA-N 452.301 6.250 50 1 JKGF Cc1ccc(NC2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCCC2)cc1 587237822 YNFBXJSPKDTUGX-UHFFFAOYSA-N 496.343 8.173 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587322835 PDYVYEOSQFSEKQ-YIOXSFGVSA-N 483.377 6.693 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 587323976 OKHYFCSWFQSOEM-GBXPKZPQSA-N 481.007 7.660 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(CBr)cc1)CC2=O 587456325 NMINKMOAYOGGPS-HXUWFJFHSA-N 468.185 5.495 50 1 JKGF O=C1C[C@](CBr)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 587498962 KORLNKFGIWBRRU-FQEVSTJZSA-N 450.170 5.584 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508272 UMKFXJZXSPRZJQ-IFMALSPDSA-N 451.763 6.088 50 1 JKGF C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538555 PLVLVROMCSLRJT-SIFVAWIPSA-N 483.402 6.092 50 1 JKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615738 XROHYGJIDVLOOB-QGUBCYKSSA-N 488.952 5.762 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587687812 IHIWBNWFUXKYRI-IZHWHUGBSA-N 475.833 6.321 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 587714233 DUKVWIVAWBFMAX-XYZCENFISA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 587719397 LEJZVHYABMYNDS-OOSSNNJISA-N 481.125 5.567 50 1 JKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccc(Cl)cc1 1857564985 RQEVSFPKXGMNIR-XYKXINCNSA-N 485.028 6.390 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O 28647081 BDNMFPOVAWCGRX-JBKJKENZSA-N 490.725 5.201 50 1 JKGF C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 58575270 JDCCUWOOHPHLSL-DNWKJVBZSA-N 454.566 7.145 50 1 JKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(C)cc1)OO2 64436477 DVVQYDQBLFOEKU-OPOGEMIPSA-N 453.582 6.883 50 1 JKGF FC(F)(F)[C@](F)(Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587090477 RBVRTFFFIKVSQI-QMMMGPOBSA-N 457.543 6.906 50 1 JKGF C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546044 UVLYNAJUTRMRAS-RCZVLFRGSA-N 451.906 5.227 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1 587551226 YORUWIKFBSQVJV-RXVVDRJESA-N 479.248 5.663 50 1 JKGF ClCCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621654 ZBHDHUGMGVGTCS-UHFFFAOYSA-N 453.565 6.018 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 587844890 CNPWIQNJVOOROI-MPBGBICISA-N 496.243 5.884 50 1 JKGF Fc1c([C@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)ccnc1Cl 962952881 JVCXYLUKNOJDBK-LJQANCHMSA-N 493.726 5.183 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)COC(=O)CBr)CC[C@H]32)C1 2356554871 ZSBQFTNZBNMSDA-ZUYAZALLSA-N 495.454 5.004 50 1 JKGF COC[C@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCl 2356571566 VFUSKSIAISUKGN-FCHUYYIVSA-N 466.490 5.716 50 1 JKGF CCCCCC=CCC=CCCCCCC(C=O)=CCCCCCCC=CCCCCCCCC 2356720560 CTELIZCHQSPORU-UHFFFAOYSA-N 484.853 11.792 50 1 JKGF COc1ccc(OC)c(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)c1 103191797 COOLFWWSKMPEIC-ZTBKZUISSA-N 460.530 5.050 50 1 JKGF O=C1O/C(=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586905758 ARAZUWMFOFLENC-QPEQYQDCSA-N 467.213 6.651 50 1 JKGF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587256357 GUVHTVGUYHAQSA-SNVBAGLBSA-N 480.297 5.584 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325975 IZJIGEHGGVYSLO-IXCJQBJRSA-N 495.978 6.543 50 1 JKGF COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O 587333270 MYNVPHQLFDOIIH-GMAHTHKFSA-N 491.284 5.034 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541713 DFIVGHGKJCMZNL-DHLKQENFSA-N 451.906 5.227 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(Br)Br 587615329 WDEZQKCSZLIKNX-DNVCBOLYSA-N 496.176 5.427 50 1 JKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587683185 FTADQXFHSXAAKB-WSVYEEACSA-N 451.767 5.403 50 1 JKGF C[C@@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857545868 LFOYPLQGMKUQMY-MRXNPFEDSA-N 481.361 6.011 50 1 JKGF C[C@](O)(CSc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857565430 BDVWXCDOLKECBA-HNNXBMFYSA-N 482.418 6.240 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802443 PVTRVVKCASWVSD-JSMIYBGHSA-N 476.495 6.779 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccc([N+](=O)[O-])cc1 64448863 GNIBRQNTXKQNLN-NRFANRHFSA-N 458.524 5.574 50 1 JKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl 84713354 XLAPQCDYYDEPHZ-QHCPKHFHSA-N 469.976 5.652 50 1 JKGF CCCCSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135511 IYEUMUXJWLJKDF-HXUWFJFHSA-N 472.445 7.096 50 1 JKGF COC(=O)c1cc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1OC 587056353 PLAPYRHYDOCECX-CXUHLZMHSA-N 495.366 6.137 50 1 JKGF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587245270 SIFVFZHDJYCSFP-UHFFFAOYSA-N 458.412 6.360 50 1 JKGF CCOc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321650 KHFSXEDAOVREPE-ISKFKSNPSA-N 471.322 5.579 50 1 JKGF CCC(=O)N1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587327036 OEBZWXHOIYTHIQ-BDYUSTAISA-N 479.935 5.324 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3c(CC)cccc13)([C@H](Cl)c1ccccc1)CC2=O 587458823 LJHLEJDDQGHLDN-WDYNHAJCSA-N 474.000 7.229 50 1 JKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497689 KKSSRCBKNNGGNV-SXOMAYOGSA-N 486.439 6.090 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 587674066 SKHGNARVIBGIIJ-QABPDZFRSA-N 489.226 6.502 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 587688620 MOQCIHUNQHPHDZ-ZRUHOGSISA-N 479.777 5.698 50 1 JKGF CS/C(Nc1ccccc1)=C(/C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957849894 MSFPATCQLAOVKF-COOPMVRXSA-N 462.578 6.031 50 1 JKGF Cc1c([C@]2(CBr)NC3(CC3)Cc3ccc(Br)cc32)cnn1-c1ccccc1 961751728 UBBMYSKBNFXDPI-JOCHJYFZSA-N 487.239 5.260 50 1 JKGF COc1ccccc1[C@@]1(CCCCCCCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962767675 PYORMRHITYZBOV-OFNKIYASSA-N 453.932 5.774 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 963613817 WAEBDKTVARTAAA-CPJLOUKISA-N 468.670 5.990 50 1 JKGF Cc1cc(Cl)cc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)C(C)(C)CCl 103210181 YTPIBYYAAGMYLW-UHFFFAOYSA-N 477.219 5.593 50 1 JKGF C/C(=C\C[C@@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)C(Br)Br 145867107 XELJFHNIOKSRIG-NVHPAYQLSA-N 480.293 6.046 50 1 JKGF C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](OO)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)O 238757191 VAVXCVQSOFVUSY-ZIEQYTQCSA-N 472.710 7.897 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 299838658 VTACYIDFDXJGKQ-DIUBKPNJSA-N 490.688 6.748 50 1 JKGF COC(C)(C)[C@@H](Br)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586971612 VVJHGGZJOQLLOQ-INIZCTEOSA-N 488.279 5.834 50 1 JKGF Cc1c(NC(N)=O)cccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587239578 LTGPDFHIWGSLED-UHFFFAOYSA-N 471.249 6.449 50 1 JKGF N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587378768 WNCQBNNDORJBQJ-FPOVZHCZSA-N 458.308 5.114 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674636 YIPHJBBSXLBHNG-SZNDQCEHSA-N 484.251 5.607 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2cccc(Br)c2)N1 587676526 FDQPRCFYSKQXNQ-BBATYDOGSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)F)c2)N1 587719753 REXFALYVIOCPAM-YPMLDQLKSA-N 479.134 5.362 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)sc(C#Cc2cc(Cl)ccc2OC)c1-c1ccccc1 587919065 RBQPUBVMTRYESJ-UHFFFAOYSA-N 488.392 5.831 50 1 JKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]2(CCCCCCl)c1ccccc1Cl 962962840 VOPIAKQSIBIJMP-DEOSSOPVSA-N 486.405 7.053 50 1 JKGF Clc1cccc([C@@]2(CBr)c3ccsc3CCN2Cc2cccnc2)c1Cl 962994720 LPYUWPDCUWQIFV-HXUWFJFHSA-N 468.247 6.147 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(Cl)cc1Cl 963203033 JMOUATQFNAXMIW-BJKOFHAPSA-N 486.240 6.755 50 1 JKGF C=C[C@@](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 2356582605 PGUZRCYRDRXYDE-VDYZAVLWSA-N 456.667 6.800 50 1 JKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCC#N)C(CSc2ccccc2)=N1 34802455 KBPBKMZWJOVVSN-VNRABVQOSA-N 483.515 6.533 50 1 JKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 64454106 FWDMCTHWSXDGIK-GXJVVJEWSA-N 469.503 7.175 50 1 JKGF C/C(C=O)=C\CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 144301396 FPOOHFGLFKYUON-WSUVHYCQSA-N 495.399 5.261 50 1 JKGF COc1cc(C(=O)[C@@H]2CSC(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)=N2)cc(OC)c1OC 195353767 UBXLQERIIYTTCL-IBGZPJMESA-N 487.694 5.841 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328870 WFJNSRZGMABRBJ-BVAGGSTKSA-N 467.924 5.619 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1 587329719 YZKRIZIMTWNPGW-UDZXTKBFSA-N 483.967 5.622 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)O2 587371751 MRRFCCXNZZLCAQ-HSZRJFAPSA-N 473.798 5.847 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)cc1Cl 587539515 WRBRECFFINWWAX-WIYYLYMNSA-N 480.141 5.951 50 1 JKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(CCl)o2)N1C(=O)c1ccc(Cl)cc1 963029123 XZJDHENPMRZTLQ-UGKGYDQZSA-N 469.324 5.394 50 1 JKGF CCc1ccc([C@@]2([C@H](C)Cl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963137247 HDURGEJWWYRDMP-JMQGSBJISA-N 479.020 5.418 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772644153 XARYZCLFSGHJLE-HXUWFJFHSA-N 454.370 5.191 50 1 JKGF CSC[C@H](OP(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 43362226 HPOVMSABXMTZQO-KRWDZBQOSA-N 480.269 5.893 50 1 JKGF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Cl 66259276 IMGVUXZHLFYSRC-UHFFFAOYSA-N 494.930 5.260 50 1 JKGF C[C@@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O 100834816 CFAGZVWUNVZOHJ-HFLBTKGNSA-N 460.639 6.352 50 1 JKGF C[C@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325093 BYZBOKXOXUHBOW-ILBGXUMGSA-N 453.897 5.373 50 1 JKGF COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325421 FITIOXXDPRFYHL-NOZRDPDXSA-N 468.864 5.485 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(Br)c1)CC2=O 587457228 WPAGCFZMOQBNFW-LJQANCHMSA-N 454.158 5.363 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 587568181 DMRFLTXFAHQCHH-SVEHJYQDSA-N 499.925 6.776 50 1 JKGF N#CSC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609471 VXTXTTSPAWXNRL-SIKLNZKXSA-N 468.328 5.226 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 587718358 NSJYCZBUNNVZCI-XTZNXHDOSA-N 479.134 5.362 50 1 JKGF Brc1ccc2c(c1)[C@]1(c3ccsc3CCN1Cc1ccco1)[C@@H](Br)C2 962700110 BRHUKMWANNBZFE-VQTJNVASSA-N 479.237 5.725 50 1 JKGF 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)OO4 2356534031 VVDFOIZUJIWFEH-RUVXJNLRSA-N 470.694 7.044 50 1 JKGF CCCCCCCCC=CCCCCCCC=C(C=O)CCCCCC=CCCCCCCCC 2356720902 MYFWKHCLOLRMPF-UHFFFAOYSA-N 486.869 12.016 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1Cl 13675461 GOWNIRTVZHTGTN-JOCHJYFZSA-N 483.399 5.896 50 1 JKGF O=C(NCc1ccco1)c1ccccc1SSc1ccccc1C(=O)NCc1ccco1 29469852 JLUYBYQUBLVFKP-UHFFFAOYSA-N 464.568 5.532 50 1 JKGF N#CC(=C(/N)Sc1c(Cl)cccc1Cl)/C(C#N)=C(\N)Sc1c(Cl)cccc1Cl 34802603 PFFFDLYXUNYXRI-BEQMOXJMSA-N 488.252 6.572 50 1 JKGF CC[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321336 JANQLQLAQHWTTA-FIXSFTCYSA-N 455.323 5.959 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333227 MQNMJRGVAWZCHI-WPFOTENUSA-N 473.313 5.794 50 1 JKGF CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373900 UHDDWFWILVORBS-PKTZIBPZSA-N 483.823 5.734 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1nc2ccccc2s1 587619365 SAGSWEWHLPPBKH-XMSQKQJNSA-N 468.328 5.254 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br 587673136 KNTDRPJQNNNUHQ-VFVAKGGASA-N 498.072 5.809 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc3ccccc23)N1 587674669 YUUSVJSNRRJZAA-ASSNKEHSSA-N 463.188 5.914 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587676738 GBDCQEWUXKLMMW-DDBGAENHSA-N 461.600 5.756 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)cc2)N1 587679979 NFPCOTDYCPYFOP-HXPMCKFVSA-N 475.627 6.148 50 1 JKGF COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686867 XUHADLQHWAGDQZ-WIUDPPPLSA-N 451.767 5.403 50 1 JKGF C=C(c1ccccc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 169358791 UHRJFSUAULCNDP-DPUWFLTCSA-N 478.673 6.991 50 1 JKGF CCCCCCCCOc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Br 586971869 ZSONGRRGFUREFH-GOSISDBHSA-N 490.280 6.926 50 1 JKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587371886 HMYRPKXLCUIGGS-SANMLTNESA-N 452.982 5.346 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 587497342 CBFUCFBTKIBABN-OAQYLSRUSA-N 464.197 5.716 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 587672190 DXQSGVREVUHVTQ-HXPMCKFVSA-N 475.627 6.195 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686090 SLIYFGSNHMRLGF-XCLFUZPHSA-N 460.218 5.496 50 1 JKGF C[C@]12CC[C@@H]3c4ccc(Oc5ccc(O)n5-c5ccnc(CCl)n5)cc4CC[C@H]3[C@@H]1CCC2=O 587940145 MYNKFKAGZVCGKA-MEFYPOPPSA-N 477.992 5.929 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)c2cccc(F)c2CCN1[C@H]1CCSC1 962708800 KXZWRUKAMDMAQD-QENPMARHSA-N 474.361 5.634 50 1 JKGF C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103195930 OUPIOSZZFYPKBM-ROGMILELSA-N 453.988 5.278 50 1 JKGF Nc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc2ccccc12 587253757 OVUYFFBLCWPITM-UHFFFAOYSA-N 464.257 7.385 50 1 JKGF COc1ccc(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324480 ZOJMNUJZMGZQCP-ISKFKSNPSA-N 471.322 5.498 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)cc(C(F)(F)F)c1)CC2=O 587463979 FINNRAHQNXDPLR-IBGZPJMESA-N 461.249 5.758 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587499248 LPXHXPMAHDPSFR-OSPHWJPCSA-N 478.427 5.311 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500124 QPBAZMVEXYYAPP-AKJBCIBTSA-N 485.418 6.161 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537556 HPTKSIMORYKIJN-NPTLNSMLSA-N 481.386 6.231 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682042 BDMNJVOHNDEAJS-WBPRFABPSA-N 481.837 5.062 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587688618 MOQCIHUNQHPHDZ-HIMNYSJASA-N 479.777 5.698 50 1 JKGF CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC(C=O)=C23)[C@H](O)O1 2356874242 YUCDKZUPUMMPGQ-SZUMGHKOSA-N 466.662 5.950 50 1 JKGF CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 2694749 BCTLYECAFDDCDI-VWLOTQADSA-N 457.599 6.199 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 587320289 FFDMWNQSKRGYPI-AZGAKELHSA-N 481.361 6.059 50 1 JKGF C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325096 BYZBOKXOXUHBOW-NOZRDPDXSA-N 453.897 5.373 50 1 JKGF N#CSC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370939 YZIIJRZAZJPUBM-BDYUSTAISA-N 455.510 6.153 50 1 JKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499349 MIGAGGLIPVXGNA-RCZVLFRGSA-N 470.407 5.804 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCCC2)cc1 587537498 GFXMWBMOPIJVGQ-ZEQKJWHPSA-N 494.385 5.635 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587545659 RZRFLUPJOJPXHM-BKMJKUGQSA-N 463.917 5.108 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587685174 OCKGTBHCHJEDIX-IZHWHUGBSA-N 487.800 5.857 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587686733 DNJBOYWYDLDVQA-LFVRLGFBSA-N 461.806 6.012 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)s2)N1 587848671 PGETXYQIQJQIEQ-AYVTZFPOSA-N 453.602 5.476 50 1 JKGF Br[C@H](c1ccccc1)[C@@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962669118 PCHVXLGQPVPEJU-IZLXSDGUSA-N 454.411 6.879 50 1 JKGF CC(C)=CCC/C(C)=C\[C@H]1C=C(CO)[C@@H]2CC[C@]3([C@H](CCCO)/C(=C(/C)C=O)CC[C@]3(C)O)[C@@H]2O1 1772573956 UAIWZHQILBAHGX-HJZXUIQNSA-N 486.693 5.211 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2 587370355 ALFQHWJVPULOCB-DEOSSOPVSA-N 497.345 5.320 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587428357 MPMYGVALPSGMJB-NVQXNPDNSA-N 453.941 5.377 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)c(OC)cc1Cl)CC2=O 587455984 IFZYEVDMNDABNR-OAQYLSRUSA-N 469.759 5.271 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569756 JEGPJARUYFRHDR-SHQCIBLASA-N 477.919 6.035 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21 587669437 CYMZLHBIHLRKGI-SMDDFHAHSA-N 496.218 5.347 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587725186 CAAAOTRSYUOTBV-ZAMGYDSWSA-N 479.796 6.151 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1cc(Cl)ccc1Cl 961775257 JHYRUQFWPXOEOR-XMMPIXPASA-N 481.851 6.627 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)([C@H]3CCCc4ccccc43)N12 962673415 URNGRYYVTNDIJF-DFCKQENNSA-N 479.418 5.044 50 1 JKGF Cc1c([C@@]2(CBr)NCCc3c2c(C(C)C)nn3C)sc2ccc(Cl)cc12 962916018 WMTIQHXNIJWHBU-FQEVSTJZSA-N 452.849 5.504 50 1 JKGF CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC(C=O)=C23)[C@@H](O)O1 2356874241 YUCDKZUPUMMPGQ-LWHKHBAASA-N 466.662 5.950 50 1 JKGF Cc1c(CCCl)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCCl)c1C 28521745 OFECSEVNMXOIKB-UHFFFAOYSA-N 491.638 7.165 50 1 JKGF Oc1c(Cl)cc(SSc2cc(Cl)c(O)c(Cl)c2Cl)c(Cl)c1Cl 40901406 FESXEFHSOFLLBW-UHFFFAOYSA-N 457.014 7.818 50 1 JKGF CCCCCCCCCCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 43411558 XBBKYXBMFAMWIX-VWLOTQADSA-N 476.211 8.074 50 1 JKGF COc1ccc(/C=N/NC(=O)c2ccc(N3C(=O)c4ccccc4NC34CCCCC4)cc2)cc1 49802683 LSABDPOYWZGOPI-VUTHCHCSSA-N 468.557 5.192 50 1 JKGF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCCCl 587328861 WEIIGXYCDJSKMQ-RSXGOPAZSA-N 470.924 5.822 50 1 JKGF O=C1C[C@](c2cccs2)(C(Br)Br)Oc2c1ccc1c2CCCC1 587531020 IFXQMUSPMLEZHG-SFHVURJKSA-N 456.199 5.604 50 1 JKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587534282 YHQFOEULCRQXFP-HHHXNRCGSA-N 466.046 6.794 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671483 SERJYKYUIWULCN-BFKGZMGPSA-N 491.626 5.811 50 1 JKGF COc1ccc2c(c1OC)[C@](c1ccc(Br)cc1)([C@@H](C)Br)N(C)[C@@H](C)C2 962627029 KJLCTAWZUOPNGI-PXIJXODZSA-N 483.244 5.370 50 1 JKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)n(Cc3cccs3)c1C)N(C)[C@@H](C)C2 962639474 QCZDBRWBMKLFQN-LMKMVOKYSA-N 459.055 5.591 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@@](CCCCCCl)(c1ccc(Cl)c(Cl)c1)NCC2 962926457 OYXFQXZKCGJIAB-HSZRJFAPSA-N 453.841 5.884 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(=Nc2ccc(C#N)c(C(F)(F)F)c2)[nH]c2ccsc12 1857609630 YSJGLEXDZYQIHV-ONEGZZNKSA-N 491.498 6.693 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NCCCCNc1c2c(nc3ccccc13)CCCC2 13607668 IEBFRRATFZBOGS-LJQANCHMSA-N 457.709 6.136 50 1 JKGF CCc1ccc(C(=O)N(SOCC(F)(F)F)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103214436 YAQSQMSMPRCJFZ-UHFFFAOYSA-N 482.568 6.306 50 1 JKGF CC(=O)OC1=CC[C@H]2C[C@@H]3C(=C(O)c4c(O)cccc4[C@@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 194953835 RFLQJTRSEXSOHC-OVYRPRKUSA-N 470.638 5.800 50 1 JKGF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587042049 HEBNSNHTOKHEAU-CQSZACIVSA-N 455.861 6.529 50 1 JKGF O=c1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171626 QOKODDBQOCMHOC-UHFFFAOYSA-N 463.378 6.815 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 587320529 FOAIPEKSRRVTGZ-RSXGOPAZSA-N 496.376 5.781 50 1 JKGF O=C1CCCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 587325735 GXIAVEYQAPJDRI-AOYPEHQESA-N 465.908 5.299 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)CC2=O 587456055 JLQSIDMJHRCMIX-XUSGNXJCSA-N 453.760 5.651 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(F)cc1 587571405 NZOTYDFPIZRWNG-OFNKIYASSA-N 457.295 5.564 50 1 JKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587672843 IMBYTZMMYYCQAS-PRWKNARSSA-N 467.176 5.816 50 1 JKGF CC[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl)C(=O)Cl 587880945 HFENRVSZTFTNPF-GOSISDBHSA-N 473.183 5.280 50 1 JKGF C=CCOc1ccc(NC(=O)c2cc3c(cc2OC)[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC3)cc1 1857771904 AUGUWZRHGFTMKC-ABYGYWHVSA-N 470.569 5.391 50 1 JKGF N#CC(C#N)=C1/C(=C/C=C/C=C/C=C/c2ccc(N3CCCCC3)s2)S(=O)(=O)c2ccccc21 6010223 WLKSVWUJMMVACP-FZIUFXEMSA-N 485.634 6.036 50 1 JKGF Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3ccc(O)cc3)c12 28641849 YCAMORRJENSJAQ-MWLSYYOVSA-N 481.943 5.519 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC(C=O)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 58500154 HILDOMZMECOQHZ-BZCFEEOXSA-N 498.748 7.518 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055239 LFKMHJQFBYEDFU-XNTDXEJSSA-N 452.301 6.250 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)O2 587392431 ZIKPFGPRPXTUIP-JDXGNMNLSA-N 477.564 5.114 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)CC2=O 587450606 GMZKZRHAOLOKSB-WIYYLYMNSA-N 467.743 5.097 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1cccc(Br)c1 587542511 YMYIUERDAUUOGE-KNQAVFIVSA-N 459.723 5.337 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587688647 MUCXNYCSTOONED-RBHXEPJQSA-N 472.012 6.477 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689208 QVLMXSINZFJIMX-OJLQRUNKSA-N 466.866 7.116 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587702731 FQGILYJOKHMZNW-APEXYLGGSA-N 464.684 5.370 50 1 JKGF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)NN)cc2[nH]1 587965364 RPYCRNOXPKVZRG-ASOIFYRWSA-N 450.627 5.103 50 1 JKGF CC[C@]1([C@H](C)Cl)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962680666 RGDNFWVXJSSYGJ-FPTDNZKUSA-N 455.904 5.654 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962708797 KXZWRUKAMDMAQD-DEOKDLAOSA-N 474.361 5.634 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@@]23[C@@H](CCCO[C@@H]2O1)C(=C(C)C=O)CC[C@@]3(C)O 2356562372 RPXRCEJKIKHRBO-PMPPGDGWSA-N 468.678 6.770 50 1 JKGF CCOc1c(/C=N\NC(=O)c2ccncc2)cccc1CN(c1ccccc1)c1ccccc1 103223916 ZLBVWYYZOXKTOP-COEJQBHMSA-N 450.542 5.583 50 1 JKGF Cc1ccc([C@@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 473083951 PRNSOWZJRAUTRT-QHCPKHFHSA-N 484.379 5.051 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 587372258 FETKEEHEOSXBEF-IRLDBZIGSA-N 451.346 6.520 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)n1 587373151 GXZPALCFLZSMQE-OZXSUGGESA-N 496.991 6.197 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587500672 ULORUYURCNAKKI-HHHXNRCGSA-N 477.398 6.400 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1C(F)(F)F 587550364 VBQRFGAQIJDWOD-GHTZIAJQSA-N 497.238 5.802 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556960 LFGCYKRTKSXMCT-LUBWPTFZSA-N 479.248 5.450 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 587685886 BRMYLUHMHWQFAI-LMKMVOKYSA-N 489.860 6.266 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587700287 AFIJTIUHOJUWLH-CBUPOEEASA-N 482.674 5.509 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2sccc2Br)N1 587843694 JQRQLSUBJKNYSH-JDNHERCYSA-N 476.234 5.404 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)NCCc2cccc(Cl)c21 963391434 SZXDCGCSRHXIHW-MUUNZHRXSA-N 458.388 6.824 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(=O)COC(=O)CBr)[C@@]4(C)CC[C@@H]32)C1 2356554870 ZSBQFTNZBNMSDA-YMKPZFJOSA-N 495.454 5.004 50 1 JKGF COC[C@@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCl 2356571568 VFUSKSIAISUKGN-VXKWHMMOSA-N 466.490 5.716 50 1 JKGF C=C(c1ccc(Cl)cc1)[C@@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 42891151 PMSUMZKUKLLYRA-KOENEWCDSA-N 467.915 6.860 50 1 JKGF C=C(CO)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C=O)[C@]3(C)CC[C@@]23C[C@@]13CCC(=O)OC 238735270 ILOHMDKQENYFEG-NPMHOTKSSA-N 484.721 6.669 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]34C)[C@@H]1CC[C@@H]2I 473093383 TWTYIEQUXHJALW-GCXXXECGSA-N 482.424 5.021 50 1 JKGF CC[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 587185748 XGZSBUPLKBUEMZ-CYBMUJFWSA-N 492.255 6.329 50 1 JKGF CC(C)(C)OC(=O)NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC(O)CC1 587237005 KGTFVBVXTWKMNR-UHFFFAOYSA-N 457.465 5.875 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587332081 IMFNWQQDIGZIIK-LADGPHEKSA-N 473.313 6.100 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4ccc(OC)c(OC)c4)c1C)[C@@H](C2)C3=O 587417063 IYPBWEDBFNUKFS-DWACAAAGSA-N 496.003 5.255 50 1 JKGF O=C1C[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 587534253 YGZORAXHJFERBS-LJAQVGFWSA-N 462.529 6.030 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2cc(Br)c(F)cc21 587670567 LLGDEQRLNJDMSR-IDFMNXDXSA-N 496.218 5.034 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 587854979 SQXGRGAPOGGAQD-HXPMCKFVSA-N 458.828 5.052 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963168129 GBHCMSYQTZTKIM-QNGPCOALSA-N 480.683 5.124 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356476291 ABQSCSIGRMJZCY-OGAWYMSISA-N 490.725 5.584 50 1 JKGF CN(CCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@@H]23)cc1)C(=O)CCl 13557697 RNRRTOALKZVZQB-LFXLQIHESA-N 498.063 5.079 50 1 JKGF Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 43523758 SGEZFCHJWOYOGZ-UHFFFAOYSA-N 499.442 5.365 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)O2 587373213 QJSOYAUWKRSIDH-PMERELPUSA-N 485.027 6.733 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587421755 RLLGUDJWFHBLQC-VOJFVSQTSA-N 496.106 6.059 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(C(Br)Br)CC2=O 587493843 IDMNJVVBMWWCCU-KRWDZBQOSA-N 460.187 5.383 50 1 JKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508572 PHKWJOJLQLZLIW-XMMPIXPASA-N 489.584 6.906 50 1 JKGF Cn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587542440 HDXSRNIBGIMSBR-YZNIXAGQSA-N 495.962 6.647 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671087 PNRIKZUUFVJZOR-QLEMLULZSA-N 483.263 6.447 50 1 JKGF CCCCOc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587673164 KYXSAZQBNRKQFM-SZNDQCEHSA-N 485.235 5.940 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689296 RMLGNMVGJZIBHC-OWJWWREXSA-N 475.833 6.321 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587702735 FQGILYJOKHMZNW-KTTLUUMZSA-N 464.684 5.370 50 1 JKGF Cc1cc([C@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)n1-c1ccon1 963192235 IXVKQRPYCOEPOP-BDYUSTAISA-N 456.977 5.688 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)[nH]c(=NCCN(C)C)c1 1857770424 XVUFTHMWJYFQQG-AATRIKPKSA-N 452.562 5.038 50 1 JKGF CCOC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 1911578902 ZIARTVPNCGOGRU-RTQILDLHSA-N 474.594 5.296 50 1 JKGF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@H](C(=O)O[Si](C)(C)C)[C@@H]1[C@H]3C(=O)O[Si](C)(C)C 2356448510 FYBDWRRBWHRIAY-KHBMGJAISA-N 476.762 5.337 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)c(c2O)CC(C)=CCC1)C3=O 2356527850 JBVAFOMCWIFYSA-XYHYBEPMSA-N 479.400 5.619 50 1 JKGF CC[C@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356542484 SZLWSWKRZSAHBC-WMOVJJSGSA-N 484.885 9.660 50 1 JKGF C=C(CN(CCCl)CCCl)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O 29226283 VJRHZZAEYOXPLQ-VXKWHMMOSA-N 454.482 6.606 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@@H]6CC(=O)C(C)(C)[C@@]5(C[C@@H](O)[C@]43C)OO6)[C@H]12 44404119 UBKYFSBPSQKPIB-CGPCQPRUSA-N 486.693 5.238 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518872 XNJGHKPDJWENKV-JTHLAKFHSA-N 468.477 5.291 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586885492 VFJKZMWOKDTLQE-PRTSGDIISA-N 457.306 7.451 50 1 JKGF O=C(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1cccc(F)c1 587163991 WVNFCIXFXUHVTJ-UHFFFAOYSA-N 488.251 6.693 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319844 DDJDABRLIMLZLC-IHPXXTKKSA-N 481.361 6.058 50 1 JKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587498351 NFWYVTPBAJTHAM-MUUNZHRXSA-N 464.005 6.471 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Br)c(F)c1 587559828 ZIUZGMFAPRBUKY-GHTZIAJQSA-N 463.686 5.390 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 587573799 XTPPRJMCRAPDSM-LEAFIULHSA-N 491.946 6.094 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587682044 BDVBIQOHFNXBTB-MGNBDDOMSA-N 451.594 6.302 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587689980 YHPUDOJDQYHNRK-IVCQMTBJSA-N 489.860 6.629 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587723296 WPEWQVJBHDQGBX-CQLKUDPESA-N 455.557 6.051 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 587723718 BXTFHSKUCKAELY-ZJEXCSKESA-N 477.162 5.622 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 587856651 YIRZTVUBNWVIKN-XMHCIUCPSA-N 481.862 6.133 50 1 JKGF Cc1cccc2c1C1(CC(O[Si](C)(C)C(C)(C)C)C1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863342 UHQZQCXYOWAEQK-GEUIHZRBSA-N 475.702 6.011 50 1 JKGF C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C(=C)[C@@H]3C[C@H]12 1857656786 RTNNPJCHHWRBKQ-GYTFQQTGSA-N 486.728 5.796 50 1 JKGF CC(C)=CCC[C@@]1(C)[C@H]2CC[C@H]3Cc4cc(C(=O)O)ccc4O[C@@]3(C)[C@]2(C)CC[C@H]1Br 2356401911 SPIGDDDVGATBCA-SJJWNOTFSA-N 489.494 7.421 50 1 JKGF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@@H]4[C@]3(C)CC[C@@]35OO[C@@H](CC(=O)C3(C)C)[C@]45C)[C@H]2[C@@H]1C 2356428520 OCQVIAYBPXDENN-USEDGDGFSA-N 470.694 6.267 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 2356518070 DTNMLCLEKOLKGE-GOSDRTFMSA-N 498.912 10.028 50 1 JKGF CC(C)CC(=O)O[C@H](CC(=O)OCCCCCCCCCCCBr)C[N+](C)(C)C 26295470 GQKFRTPBYSGODC-OAQYLSRUSA-N 479.520 5.490 50 1 JKGF O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(SC(F)(F)[C@H](F)Cl)cc1Cl 31500145 GBDXXYZXKWNXNL-AWEZNQCLSA-N 493.668 6.453 50 1 JKGF CCOC(=O)C1=C(CSc2ccccc2)N(C)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447633 GNBJVXCBXJFTQQ-JOCHJYFZSA-N 472.532 6.141 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccc(-c4cccc5ccccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43920090 SJCYSZQOHYQIBP-OXQMJVEVSA-N 486.608 7.094 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 95578070 LUAYXZJJWKUNNQ-OVAHYCHWSA-N 470.625 6.286 50 1 JKGF O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(-c2ccccc2)c1 146965537 QPZXJVVKDGOAEQ-UHFFFAOYSA-N 474.516 6.061 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(C#N)=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299849215 YOEKWFUDQIHBAB-WGJCYWBZSA-N 463.706 7.487 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4ccccc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057299 VBAWWFLFJQUOQR-RGVLZGJSSA-N 457.364 7.495 50 1 JKGF Cc1ccc(/C=C(/C#N)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 587187837 LLHMIYKUZRPLES-WJDWOHSUSA-N 464.422 6.346 50 1 JKGF COc1cccc(-c2cc(-c3ccccc3NC(=O)CCCCl)nc3c2oc2ccccc23)c1 587357393 HVTBMELKZKUXGX-UHFFFAOYSA-N 470.956 7.281 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 587545543 RNEAOUCUAOGJQI-NVQXNPDNSA-N 461.901 5.095 50 1 JKGF CCCCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587673162 KYXSAZQBNRKQFM-QKKBWIMNSA-N 485.235 5.940 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587683485 HJJJQRBEZRYHTN-BCHFMIIMSA-N 494.920 7.898 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711748 LSLFDICDVSJKIL-BMLIUANNSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCC(F)(F)CC2)N1 587715421 CMCNDIPDVLOACM-QGHHPUGFSA-N 455.156 5.538 50 1 JKGF COc1ccc(C=O)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587786594 ISQQJJNXSLNUGM-UHFFFAOYSA-N 457.218 6.471 50 1 JKGF COc1cccc([C@@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962723022 ZRFYTSCBDJYJJM-LVXARBLLSA-N 462.074 6.631 50 1 JKGF CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@](C)(OO)C2)C1=O 2356445418 AWDUWDVISOBEPH-HXALYGSSSA-N 488.621 5.044 50 1 JKGF COc1ccc2nc(Oc3ccccc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98082376 CPGAFQURGCMNJX-XMMPIXPASA-N 467.525 5.487 50 1 JKGF Cc1ccc2c3c(cc([C@@H](Br)Cc4cccc(Cl)c4F)nc13)-c1ccccc1C2=O 586996944 WTJVJYUQGYWDOK-IBGZPJMESA-N 480.764 7.226 50 1 JKGF CCOc1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673427 MRDLXVMYAHQOJC-BLVKFPJESA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 587714230 DUKVWIVAWBFMAX-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587719399 LEJZVHYABMYNDS-SNFQMMDSSA-N 481.125 5.567 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 587857164 ZYRSRDXJMAKCLT-ZVRVIFTDSA-N 496.858 5.688 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@@H](C)CC[C@@H](Cl)C1(C)C)C2=O 2356341057 FLJSRYLNOZSLJX-LXAUPQCDSA-N 497.459 6.016 50 1 JKGF CC(C)(Br)[C@H](Br)CC/C(=C\CBr)CBr 73242459 NCKWUVDGCBCHTE-WHXYTISESA-N 455.854 5.420 50 1 JKGF COC(=O)[C@H](CCCCCC(Cl)Cl)[C@H](CCCC#CC=C(Cl)Cl)NC(C)=O 85918804 CBOOGDUIMZVPJV-CVEARBPZSA-N 459.241 5.527 50 1 JKGF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 586972685 AFHHWTQIQQUHSM-LLVKDONJSA-N 466.173 5.549 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCC3=CCCCC3)c1C)CC2=O 587459989 JXVWEZVKCIBEGJ-MHZLTWQESA-N 456.026 6.753 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541716 DFIVGHGKJCMZNL-WIOPSUGQSA-N 451.906 5.227 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1 587556956 PNQKORMCGYCKQD-GHTZIAJQSA-N 495.247 5.543 50 1 JKGF O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 587620753 GGOMMKYVWUVNHE-UHFFFAOYSA-N 482.563 5.414 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587685729 RMOGFLFGGSEQKN-YEJXKQKISA-N 453.783 5.343 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 587715223 XIVIJLLMCSEKIG-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF Cn1c(-c2ccccc2)c([C@@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)c2ccccc21 961614907 OALJSHPKFABGRT-MHZLTWQESA-N 491.860 6.769 50 1 JKGF C=CCOc1ccc(C(=N/NC(=O)c2ccccc2)/N=N/c2ccc([N+](=O)[O-])cc2)cc1OC 5541975 BWLAXMIYNBVPFD-OLQLHNAZSA-N 459.462 5.044 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)[C@@H](C)Cl 16570132 XRQATIZLYUTCBC-IQGLISFBSA-N 467.972 5.308 50 1 JKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(Cl)cc1)OO2 64448643 XYZOQYBLWFTEBI-XSRDFGTCSA-N 474.000 7.228 50 1 JKGF COc1cccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)c1 96272492 NUUVDLXJSUQIGF-LJQANCHMSA-N 472.774 5.190 50 1 JKGF COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1OC 587056256 OIWBWVDMIAHAMB-CXUHLZMHSA-N 467.356 6.359 50 1 JKGF Cc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccc(Cl)cc12 587536154 SHJKGNPZHVRGLE-QHCPKHFHSA-N 475.835 6.998 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCCC2)cc1 587537496 GFXMWBMOPIJVGQ-JYFHCDHNSA-N 494.385 5.635 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)n1 587609099 BOZMQDNDUXKLSP-PXDATVDWSA-N 480.973 5.661 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587674044 SFNZMNLZJKRKIF-WNWIJWBNSA-N 497.033 5.650 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674227 VDEXUBJYCMOJKG-IVZQSRNASA-N 483.263 6.494 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(Br)cc(-c3ccc(Cl)s3)c1)(C(C)C)C(C#N)=C(N)O2 1772648705 LVQMWDVXXFAPHJ-NRFANRHFSA-N 489.826 5.891 50 1 JKGF COc1cc(N[C@@H](C)CCCN(Cc2ccc(F)cc2)C(=O)C(C)(C)CCl)c2ncccc2c1 35097428 HPSYBMOEUMYXLB-IBGZPJMESA-N 486.031 6.257 50 1 JKGF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(NC(=O)CCl)cc3)nc21 38912268 XOVYHZSDUHWRJV-UHFFFAOYSA-N 488.762 5.223 50 1 JKGF CC1=CC[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 170113630 LOQZXJRMCXAAID-DYESRHJHSA-N 484.494 7.060 50 1 JKGF CC1(C)COC2(CCC(N[C@H]3CC[C@H](Nc4ccnc5cc(C(F)(F)F)ccc45)CC3)CC2)OO1 254009846 ABVNAJXSXMTUMK-FOKVMHPMSA-N 493.570 5.962 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(C#N)=C(N)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299848863 NOMXQPUTYPGULE-JAINXOTMSA-N 478.721 6.773 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCCO4)c(C)n1-c1cccc(Cl)c1Cl 587058449 ZDPOGJIUJAOTEK-CXUHLZMHSA-N 465.340 6.113 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587323821 UOPGJFRMNYVFEX-IFMALSPDSA-N 461.714 5.834 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325381 YCQPMTOLMQUTIG-OFIANZKKSA-N 481.007 7.536 50 1 JKGF Nc1c(Cl)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587537820 KOYYBTMUJKIFKG-LAUBAEHRSA-N 495.156 5.533 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)c(Cl)c1 587539336 VOYGZSLEOPJHBG-SIKLNZKXSA-N 475.722 5.522 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587681747 AJXHXLRYJCXUHJ-WSVYEEACSA-N 465.750 5.309 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683841 IGFRTHIPISIUCW-IZHWHUGBSA-N 487.800 5.592 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Br)c(F)c2)N1 587726394 XAXZOAOBUQHMSW-XLFHBGCDSA-N 465.563 5.506 50 1 JKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)NCCc4c(Cl)cc(Cl)cc43)c2C)c1 963122200 NYAYXJVMAJCZBC-HSZRJFAPSA-N 465.877 6.751 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 2356860122 UCAWHZRGCBFVGU-AIGFFTPXSA-N 470.694 7.334 50 1 JKGF O=C(c1ccccc1)c1nc2c(Cl)ccc(Cl)c2cc1C(Br)Br 1628645 ORUKEOXCVZHQFF-UHFFFAOYSA-N 473.979 6.561 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101858650 DYFZAKQEEPCNLZ-XULIGWDXSA-N 497.676 5.498 50 1 JKGF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCCCBr)[nH]c12 586971894 AIFFXSYQIXYCGN-UHFFFAOYSA-N 458.253 5.691 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)cc3F)nc3cccc1c23 587103203 HPJXUFHONXSDHH-IBGZPJMESA-N 450.282 6.403 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 587380302 DDBOIGALIRUANX-HSZRJFAPSA-N 497.344 6.756 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)-c1cc(C(=O)CCl)ccc1C4)[C@@H](C2)C3=O 587417418 MKBRLYSUYFIBTR-CUNXSJBXSA-N 479.359 5.570 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Br)ccc1OC)CC2=O 587455813 GMZLIOSXKULUMU-FQEVSTJZSA-N 484.184 5.371 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682836 DTDXAUNFPXWHIW-IZHWHUGBSA-N 496.848 5.836 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 587689555 UMDYAUSQAZDFDD-FBRJTYOUSA-N 458.762 5.473 50 1 JKGF COc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Br 1857573760 RKMPPGICDUKHMA-GOSISDBHSA-N 486.163 5.592 50 1 JKGF CC(C)=CCC/C(C)=C/[C@H]1C=C(CO)[C@@H]2CC[C@]3([C@H](CCCO)/C(=C(/C)C=O)CC[C@]3(C)O)[C@@H]2O1 103239284 UAIWZHQILBAHGX-YYNSMWCDSA-N 486.693 5.211 50 1 JKGF Cc1cc(Cl)ccc1C#Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587067139 PESMTQDLBBASKQ-UHFFFAOYSA-N 471.676 7.344 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3cccc(Cl)c3F)nc3cccc1c23 587103665 MTZJJQSXLODSNV-GOSISDBHSA-N 466.737 6.917 50 1 JKGF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br 587324444 ZGEISMAKSFNIFD-MYNHGSQSSA-N 459.355 5.849 50 1 JKGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587324687 STLAVXBRALXYPL-ZQQFWJGBSA-N 471.912 5.145 50 1 JKGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326493 LQHXUFIXYBROLJ-AOYPEHQESA-N 467.924 5.003 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)O2 587370897 CPVBLPSWVMQLAY-VWLOTQADSA-N 456.424 6.182 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537238 BZAQGRJCXUZWEH-RCZVLFRGSA-N 467.359 5.843 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 587546452 JXOYNOHZPQEOMQ-NQIIRXRSSA-N 497.238 5.802 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546593 WWDVVPGBIQXKIE-KDLRFSOSSA-N 465.933 5.615 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 587712418 ALTHOQBANJJWJZ-XTZNXHDOSA-N 479.134 5.362 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)s2)N1 587849875 WUWNIRXVSCSREN-ANRSDYALSA-N 453.602 5.476 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1N=C=S 587895231 BUGZCYOCKZOVOD-UHFFFAOYSA-N 454.176 5.201 50 1 JKGF Cc1nn(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c(C)c1N=C=S 587896590 PCDXSVWXIKPPAE-UHFFFAOYSA-N 483.424 5.300 50 1 JKGF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)ccc1C(Br)Br 587898776 QBFIQIWDJQYIBU-UHFFFAOYSA-N 472.560 5.323 50 1 JKGF Cc1cc([C@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c(C)n1-c1ccc(Cl)cn1 962667293 NMRVWCNEPSIAHG-HHHXNRCGSA-N 462.424 6.438 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1Cl 963193769 LPNKHWSAVDSNOA-WGURPXDASA-N 479.849 6.798 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cc(F)ccc1O 963197565 SVGIXTFDJQLCMP-LADGPHEKSA-N 451.339 5.293 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1cc(C)n(CCc2ccccc2)c1C 963609571 NOSIQQWQZXEVJP-XRHLQHRESA-N 453.026 5.381 50 1 JKGF CC1(C)C(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C(=S)N1c1ccc(C(F)(F)F)cc1 1857540008 FCLCUXVEKZLVQP-UHFFFAOYSA-N 490.441 7.280 50 1 JKGF C[C@H](CCCC(C)(C)OO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356330603 TUKFJQKYIHLUEX-IKXHUTFDSA-N 460.743 7.861 50 1 JKGF COC[C@@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCl 2356571569 VFUSKSIAISUKGN-YADHBBJMSA-N 466.490 5.716 50 1 JKGF COC(=O)CC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 27980468 WWUHPAYVBRAXGE-QVIHXGFCSA-N 483.328 5.063 50 1 JKGF COc1ccc([C@H]2C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 195386474 WCLXKKILRDJVKN-IARZGTGTSA-N 493.764 7.388 50 1 JKGF COc1cc(C)c(N)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587250068 RYMQPRWXKOKXAC-UHFFFAOYSA-N 458.250 6.549 50 1 JKGF N#CSC[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587368841 AJJKDLKAXNSQAC-BDYUSTAISA-N 455.510 6.153 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587433319 QLGURFCAPGEKBQ-FPHQXIGGSA-N 490.559 5.014 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)CCC2 587498840 PJOGQMKZXJWJAG-LJAQVGFWSA-N 460.017 6.561 50 1 JKGF CC(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538087 NDVATVNYBQOOSH-URXFXBBRSA-N 453.332 5.768 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 587546345 WDKLGFLAGTWDJV-LITSAYRRSA-N 487.983 6.149 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)F)c1 587552861 CGYDJIUXMCRXGP-GCJKJVERSA-N 477.257 5.246 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 587855519 WFGSEOSOPGHQSW-FATZIPQQSA-N 495.889 6.327 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@](C)(c1cccc(CCl)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962627300 OYYIKQHETGTMTP-SQJMNOBHSA-N 457.954 5.138 50 1 JKGF N#CC1=C(c2cccc3ccccc23)CN(C(=O)Cc2cncn2Cc2ccc(C#N)c(Cl)c2)CC1 13489044 JQDSCDOLMRCKLS-UHFFFAOYSA-N 491.982 5.362 50 1 JKGF COc1cc2[nH]c3c4c(c(C=O)cc3c2cc1Br)OC(C)(C)[C@H](Br)C4 72112131 BBAKSUBITWVQPC-MRXNPFEDSA-N 467.157 5.382 50 1 JKGF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C/CCCCBr)OCO2 102918208 SQENEFJLFQRMKV-AUWJEWJLSA-N 498.373 5.262 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)cc(Cl)c2[nH]1 587009453 GKBOXSGDEXZHTC-INIZCTEOSA-N 466.166 5.099 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2sccc2c1 587618604 OVPYZUCDFMIMED-NFBKMPQASA-N 467.340 5.859 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2Br)N1 587672672 HBFKYVBQCXHMJM-BTDLBPIBSA-N 492.024 5.523 50 1 JKGF CSc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587848484 WQIUVPIDPVPILM-ZMZPIMSZSA-N 459.222 5.483 50 1 JKGF CCCNNC(=O)c1ccc(CN(CCc2c(C)[nH]c3ccccc23)C(=O)OC(C)(C)C)cc1 1857602430 NFDKSFRHUFVEBS-UHFFFAOYSA-N 464.610 5.101 50 1 JKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O)CC(=O)CC2 2356403587 ODTSQSJNMRZCKH-IBGZPJMESA-N 498.666 6.245 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CCC=C(C)C[C@@H](O)[C@H]1OC1(C)C 2356455927 MDMHPISVCFYXMN-OGENLJSJSA-N 490.725 5.823 50 1 JKGF CC1=C(CCCCCCCCCCCCCCCCCCC2=C(C)C(=O)OC2=O)C(=O)OC1=O 2356844021 NRRQGVPJNPBFPO-UHFFFAOYSA-N 474.638 6.808 50 1 JKGF CSN1C(C#N)=CC=C/C1=C1\N=[N+](c2c(Cl)cc(C(F)(F)F)cc2Cl)C(=N)S1 29467622 OLUKVQQPOBAVBA-UHFFFAOYSA-N 463.317 6.516 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O 40587700 KZMOSVHCAINXLS-AWFNXHNRSA-N 488.709 5.409 50 1 JKGF biogenic Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058378 YLSOMNMHQZIHMT-CXUHLZMHSA-N 451.313 6.040 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 587372768 GGCNNMZCBVWGPW-ICSRJNTNSA-N 467.743 5.896 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 587376829 QGMIGRJJWBSSCD-IRLDBZIGSA-N 495.797 6.629 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Cl)c1Cl 587552914 CNZABAOODBCDBQ-UWJYYQICSA-N 498.131 6.090 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCC(F)(F)CC1 587555978 MZQAGLJLUNUUEG-DYESRHJHSA-N 453.279 5.313 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587671798 AZLQYFYTKOYEJX-NPMXOYFQSA-N 489.226 6.428 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587689565 UNIIJDDDTMLFIY-VVYDWRJNSA-N 467.810 5.732 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587711302 JTYDNIDGEFKKGZ-HUTHGQBESA-N 499.115 5.919 50 1 JKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(CCl)o2)N1C(=O)c1ccc(Cl)cc1 963029105 XZJDHENPMRZTLQ-KNQAVFIVSA-N 469.324 5.394 50 1 JKGF CCCC[C@@H]1C(C#N)=C(C)NC2=C1[C@@]1(CC(C)(C)C2)NCCc2cnc3c(OC)cccc3c21 963055646 KJXMIIQFVRCLTD-OLILMLBXSA-N 456.634 5.866 50 1 JKGF CSc1nc(NCCc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 28862022 JBEFUXQRLMDHHE-LJQANCHMSA-N 458.418 5.836 50 1 JKGF C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2OC(C)=O)CCC[C@H]1C 60275565 RKPLHWCOJKGGMT-SACJFMFZSA-N 458.595 5.124 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587009450 GIQHKVZIWFKIIZ-INIZCTEOSA-N 455.267 5.355 50 1 JKGF Fc1ccc(-c2cnn(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 587164972 GZQFYMXBUMISOB-UHFFFAOYSA-N 497.262 7.034 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323326 QSVYQVHPLSKMED-UYDUHGDPSA-N 497.404 6.867 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 587326866 NGFPBENOHRFGSZ-GMAHTHKFSA-N 465.735 6.721 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337841 WAJPPMDLFHUDCM-YZCBWUASSA-N 459.286 5.708 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc2ccccc12 587537317 CTXJRWAWDHMFNM-RDGATRHJSA-N 461.311 5.797 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 587545540 RNEAOUCUAOGJQI-BKMJKUGQSA-N 461.901 5.095 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686900 XXTJXIRTCNTKBE-LRTDBIEQSA-N 453.783 5.343 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 587715610 IIDUNIVYQPGJAC-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@](C)([C@@H](Cl)c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962630631 PPHQYKJYXAVCGN-WATLYSKOSA-N 457.954 5.331 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1)C(F)(F)F 962763495 KQFICTVUSZMZPC-DYVFJYSZSA-N 457.106 5.686 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(C#N)cc(-c3ccc(C(F)(F)F)s3)c1)(C(C)C)C(C#N)=C(N)O2 1772617976 SPNNSIVYARLBSM-JOCHJYFZSA-N 469.492 5.365 50 1 JKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]1/C=C/C(C)=C/[C@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(/C)C=O)CC[C@]3(C)O)O1 1772630815 ULPDGPJJKVQNSL-QBJCYRPNSA-N 484.677 5.430 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802413 WHMKSCJYJAAYLF-YLITZUEVSA-N 474.504 5.655 50 1 JKGF C=C(c1ccc(Cl)cc1)[C@H]1OOC2(O[C@@H]1c1ccc(Cl)cc1)C1CC3CC(C1)CC2C3 95581074 IOTDUDBGEDLRRR-ILBHZYPYSA-N 457.397 7.247 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)ccc21 299861651 IOCBLUXWDWCZEM-MZJWZYIUSA-N 496.354 6.092 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)CC2=O 587461768 SSZUGVULHWYHOW-VKGTZQKMSA-N 496.003 5.703 50 1 JKGF CCCCCCCCc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCl)cc1 587626149 QEGUYBOFUYGUGP-UHFFFAOYSA-N 489.931 9.514 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587715964 YZMHBMDKWJBWJE-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(I)cc2)N1 587738351 NLDPVMJPDQAFDU-QGHHPUGFSA-N 494.573 5.209 50 1 JKGF COc1cccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCCC2)c1 587932039 VBCNRRHCJBCHIK-UHFFFAOYSA-N 497.327 7.852 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1scc(Br)c1Br 963222771 CUCKPDCKWOLOOW-SGTLLEGYSA-N 477.693 6.412 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772644152 XARYZCLFSGHJLE-FQEVSTJZSA-N 454.370 5.191 50 1 JKGF CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O 2356335508 BDNMFPOVAWCGRX-KWPFDSEKSA-N 490.725 5.201 50 1 JKGF C=C(C)[C@H](O)CCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753871 MUVCLXZNRJJIGV-VRCHSZTHSA-N 497.415 5.053 50 1 JKGF O=C(N/N=C/c1cc(/N=N\c2cccc(C(F)(F)F)c2)ccc1O)c1ccc2c(c1)OCO2 101513557 QRPGMZNKQGFVPB-HLIFYMFWSA-N 456.380 5.319 50 1 JKGF CCCCCc1ccc(-c2cn([C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@@H]3C)[C@]64OO5)nn2)cc1 102080122 NORKLWJELHZFRV-HBWDBNGNSA-N 481.637 6.058 50 1 JKGF CC(C)(F)[C@@H](Br)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587087108 LXYCWZKTHJCXPS-HNNXBMFYSA-N 458.253 6.018 50 1 JKGF COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O 587333267 MYNVPHQLFDOIIH-FYYLOGMGSA-N 491.284 5.034 50 1 JKGF CC[C@@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424084 WZYPWZZZNPNHMW-VYKTZEHYSA-N 462.973 6.150 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1Br 587537492 GESAQFVSSOBUDT-RXVVDRJESA-N 490.147 5.407 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537581 IEHDIXFAIOBPLO-WRPOGVCQSA-N 455.304 5.041 50 1 JKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670340 KGJWHDMFXQVJNK-CWVNLOTRSA-N 455.209 5.786 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682644 DENRZXAHAWLLMK-CMJOXMDJSA-N 450.823 6.653 50 1 JKGF CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCl)cc1OCC 587877796 GUSOVOLPQIYGNG-UHFFFAOYSA-N 454.781 5.240 50 1 JKGF CC1(C)CC2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@@]2(C1)c1ccc(F)cc1C[C@H]1CCCN12 963110112 MMBHZAXTYQGEJG-PRNYMFJNSA-N 490.022 6.277 50 1 JKGF O=C(N/N=C/c1cccc(Cl)c1Cl)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857656178 HFURRZDRNKFPGM-LUOAPIJWSA-N 458.280 5.908 50 1 JKGF Cc1ccc([P+](Cc2ccc(Oc3ccccc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 84670058 MDNUFRKLWDAMNZ-UHFFFAOYSA-N 487.603 7.898 50 1 JKGF CCN(CC)CCn1[nH]c2c3cc(O[Si](C)(C)C(C)(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32 195207410 NADTZQJBOXXTGD-UHFFFAOYSA-N 481.673 6.305 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328848 WDXWLSBBDYAGHM-AHWVRZQESA-N 467.924 5.763 50 1 JKGF CCOP(=O)(C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC 587360699 PCZZPFAQPPUEHA-TZIWHRDSSA-N 456.834 5.134 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-n3cnc(C)c3)cc1)CC2=O 587456504 PTDGJJBLCMPLQO-HSZRJFAPSA-N 455.352 5.094 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587846038 GIRSKFUNPSCWMP-GTJPDFRWSA-N 487.866 5.329 50 1 JKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1CCCCO[Si](C)(C)C(C)(C)C 963141853 JURGCBVXRAHFCZ-IRXDYDNUSA-N 470.708 5.623 50 1 JKGF C=C(C)[C@H](CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C)OO 2356448924 UWIHHQICCZWZDL-OEDTXUSQSA-N 492.741 5.969 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@]23[C@H](OCCC[C@@H]2C(=C(C)C=O)CC[C@@]3(C)O)O1 2356562374 RPXRCEJKIKHRBO-VDFIJDOYSA-N 468.678 6.770 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753170 BCPWMPCOEAOEDD-UKDVSSAZSA-N 481.416 6.082 50 1 JKGF COC(C)(C)[C@H]1CC[C@]2(C)C[C@@H]1C(C=O)=C1O[C@](C)(OC)C=C1[C@@H]2C=COC(=O)C=C(C)C 2356850439 PPXRXBGYJKHNJU-MJDNKZCOSA-N 458.595 5.259 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675516 WZNHLZHFIRHRJX-QHCPKHFHSA-N 462.981 5.631 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43911287 QBDZNAOQIOKONC-IHJQSDGZSA-N 471.638 5.397 50 1 JKGF CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 103201026 KTFDVRXYLFITBX-WOOAAIBNSA-N 454.529 5.372 50 1 JKGF COc1cccc(OC)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324489 ZRIGNOMVHIDJNH-URXFXBBRSA-N 487.321 5.198 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)O2 587392430 ZIKPFGPRPXTUIP-DGPALRBDSA-N 477.564 5.114 50 1 JKGF CCc1cccc2c([C@@]3([C@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587418211 SSCMDOWLMJHDGD-FQNJNTOFSA-N 457.957 6.362 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587669925 GZMUXNZXXJLFLG-JGRMJRGVSA-N 487.207 5.167 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682038 BDMNJVOHNDEAJS-HUYGQZFBSA-N 481.837 5.062 50 1 JKGF COc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC 587927339 SSGDUZBXWJKJMQ-UHFFFAOYSA-N 473.261 6.591 50 1 JKGF COc1cc2c(cc1OC)[C@](CCl)(C1CC1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679025 OZFONEKPVFCVOF-QFIPXVFZSA-N 453.888 5.265 50 1 JKGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1c(F)cc(Br)cc1F)NCC3 963029519 DFEXNVJPRSTMBH-HXUWFJFHSA-N 498.165 5.068 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1c(C)cccc1Br 963029639 DZGYMOYADNFPAB-OAQYLSRUSA-N 476.212 5.099 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(c3ccccc3C2=O)c2c(F)cccc2C[C@H]2CCCN21 963106119 QRJMTNRHBQZMHA-HZPZFAMDSA-N 474.963 5.248 50 1 JKGF Cc1c(C(=O)CCl)c2ccccn2c1[C@@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963113764 ZTFZNENDWVUJGW-RNWIMVQKSA-N 490.981 6.260 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]12[C@@H](Br)CCCCCCCCC[C@H]2Br 963227635 JXIMFYIUOOKXFC-ZMUKGBGYSA-N 499.375 7.590 50 1 JKGF Cn1c(O)cc2cc([C@@]3(CCl)NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)ccc21 963816553 DRSFTDGJBBFQGT-MUUNZHRXSA-N 471.988 5.572 50 1 JKGF O=C(NNCCCN1CCC(=C2c3ccccc3Sc3ccc(Cl)cc32)CC1)c1ccncc1 1857641975 MLFLZYJXFURWGY-UHFFFAOYSA-N 491.060 5.422 50 1 JKGF C=C(C)C(=O)CCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356466230 YAMAETJPGJWVHQ-PNTFMKQHSA-N 495.399 5.261 50 1 JKGF C=C[C@@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)(OO)C(C)C 42834416 KTUQYPNOLWLYHP-ZSCQKTPNSA-N 474.682 6.476 50 1 JKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(C)cc1)OO2 64436479 DVVQYDQBLFOEKU-VITGDIARSA-N 453.582 6.883 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc(C)cc3)ccc21 299858878 DZZLJXQKVIOEAK-RWPZCVJISA-N 465.384 6.492 50 1 JKGF CCO[C@H](C)c1nc(C)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 587014163 HWICTKBVKQZDCE-MRVPVSSYSA-N 492.333 7.512 50 1 JKGF O=S(=O)(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)c(F)c1F 587134916 WKTFHNCVUZLOFY-UHFFFAOYSA-N 467.363 5.116 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587320691 GVJXQSSOYNVJFI-IFMALSPDSA-N 496.159 6.487 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324376 YDBLSCHZONBQCV-GGAORHGYSA-N 457.295 5.189 50 1 JKGF CSc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587377620 SIRBCJYQVTYQJK-GMAHTHKFSA-N 473.363 5.903 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(F)F)c(OC)c1)CC2=O 587464841 BBVJJVNDCDSDJO-OAQYLSRUSA-N 471.294 5.210 50 1 JKGF COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587544714 OVQLMHLUTXWWHR-NAKRPHOHSA-N 489.955 5.904 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 587670573 LLGDEQRLNJDMSR-ZSMADZGOSA-N 496.218 5.034 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587672123 XZMLGYFEGASDDP-LIBAHTEVSA-N 461.600 5.803 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 587688366 LZMBNXIDIAAQNH-MCMMXHMISA-N 462.794 5.407 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962720023 ZNDWLDIMMRNEQS-RLWLMLJZSA-N 475.073 6.191 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356484887 KXEPOJYGPBBQJS-LOVCAUPMSA-N 472.710 6.982 50 1 JKGF CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 255231356 MBNPUBINSDBIMB-WXQDRBBESA-N 454.695 6.864 50 1 JKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2C)ccc1O 474609639 RTTQUYRCGJJWNB-CCVNUDIWSA-N 495.366 5.633 50 1 JKGF Cc1ccc2c3c(cc(-c4oc5ccccc5c4NC(=O)[C@H](C)Cl)nc13)-c1ccccc1C2=O 586994411 ZQKAHGBLHUXHQO-HNNXBMFYSA-N 466.924 6.734 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055565 LLWCCKROMCPCQT-VGOFMYFVSA-N 453.289 5.645 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 587324010 VLPDPEVXCRKTIS-IRLDBZIGSA-N 461.714 5.834 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 587338573 XNSXZNOBJAEHOL-AVRDEDQJSA-N 469.698 6.470 50 1 JKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587496819 FVEAEGNRWKWIKH-IHLOFXLRSA-N 470.012 7.450 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546212 UYFJEKBBASSCRO-WNCULLNHSA-N 456.881 5.677 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587568434 LUGITRMMDHJXBV-RPLLCQBOSA-N 477.919 6.035 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl 587702586 DRIKZRLAFKBHLM-MSPZUWAUSA-N 465.278 7.057 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 587714516 VSFNUCBBPCRWJQ-YRUZYCQGSA-N 495.152 6.168 50 1 JKGF Cc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587719550 PXXIYQHLZPANLF-YPMLDQLKSA-N 479.590 5.862 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccccc2F)N1 587727893 PWAIEZYIJGEJSX-VMKIBOBSSA-N 459.172 5.483 50 1 JKGF CC(=O)N1CCc2cc([C@]3(CCl)c4ccsc4CCN3Cc3cccn3C)c(Cl)cc21 962378684 ZDQPPUFKMUVHRI-DEOSSOPVSA-N 474.457 5.190 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963170205 ISHNFZRFLMMERW-ORCHDJNQSA-N 497.138 5.591 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@]34O[C@H]4C[C@@]12C 2356531084 YMOPKZYYURKDKI-YXIMXZPFSA-N 454.695 6.645 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](C[C@H](O)[C@H]4[C@@]5(C)[C@@H](O)C[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356571648 XQHQIRVSHQEBJY-SDPUPKDKSA-N 472.710 5.145 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@H]3[C@]4(C)CC[C@@H](O)[C@@]3(C)CO)[C@H]12 2356804464 QFMLBJPCQONEAF-WOGKYHAXSA-N 486.693 5.241 50 1 JKGF O=C1[C@@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl 1660613 MNJGKVUCKBAOIV-GJZGRUSLSA-N 490.999 6.653 50 1 JKGF O=[P@@]1(Oc2ccccc2)N=P(c2ccccc2)(c2ccccc2)C=C(c2ccc(Cl)cc2)N1 73279485 HJSUVYHJPMKGJT-XIFFEERXSA-N 490.867 7.281 50 1 JKGF COc1ccc(/C=C(/C(C)=O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C 195432346 FQXYEGULGRRCAT-MOSHPQCFSA-N 472.654 6.235 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586917850 HFQNYZQUKXVCEP-ZDUSSCGKSA-N 457.218 6.495 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587080023 JZYSQDNXFMOFIT-UHFFFAOYSA-N 486.691 7.639 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(OC(F)(F)F)cc4)c1C)[C@@H](C2)C3=O 587423169 RXYBHNZZCDXACG-GBXCKJPGSA-N 491.893 5.883 50 1 JKGF O=C1C[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)Oc2c1ccc1c2CCCC1 587498602 IPUQOKWEAMKQGX-MHZLTWQESA-N 459.383 6.392 50 1 JKGF COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587538172 CTWLIYPSJZVKBB-KNQAVFIVSA-N 475.722 5.259 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(CCCl)CCCl)cc1 587544705 OVPUJGZQUUNLIT-ZJSXRUAMSA-N 458.341 5.379 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl 587547116 ZGAQRHGJMJNKFW-REWPJTCUSA-N 456.281 5.328 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669471 DGPCLXRVUBXGRY-LKBUQDJMSA-N 469.236 6.273 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2N)N1 587675655 AOEHNKHIQNEJST-MGNBDDOMSA-N 476.615 5.340 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686429 VDDXGNUZHWJQSI-ZUOKHONESA-N 460.218 5.496 50 1 JKGF O=C(N/N=C/c1ccccc1Cl)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653699614 PHAQEMFEGLRHQM-RWPZCVJISA-N 453.889 5.369 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc2c(c1)C(C)(C)CCC2(C)C 963244398 WONDTBGYXJQOQE-PIIWDFAUSA-N 468.523 7.331 50 1 JKGF COC(=O)c1ccc(C23CC2([C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C3)cc1 8019506 NDNWTFXUTFHCEG-LWLMPLTMSA-N 493.543 5.765 50 1 JKGF CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1 13439009 XENSBHMTRQEVRN-OKCVXOCRSA-N 472.972 6.665 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 137639041 RQLMZJMQAUSPIT-LPRZCGLOSA-N 472.754 7.577 50 1 JKGF CC(C)=CC[C@H]1C(=O)C[C@H]2[C@@H]1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]2C 221738421 LVXAHDRRJVCJOG-PUNUZWSWSA-N 460.734 6.149 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(Cl)cc3F)nc3ccc(O)c1c23 586988535 KWGKZLRWZOXRPB-KRWDZBQOSA-N 482.736 6.623 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321216 COZVXGSEPWMDEG-OWMKWSJFSA-N 481.951 6.152 50 1 JKGF CC(C)(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587322418 MINXDJTUBJZZRW-OZXSUGGESA-N 483.377 6.478 50 1 JKGF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br 587324445 ZGEISMAKSFNIFD-PDYAMMPESA-N 459.355 5.849 50 1 JKGF CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587326841 NFADUXUAKSXISK-ATIYNZHBSA-N 465.908 5.254 50 1 JKGF O=C1C[C@](CBr)(c2ccc(C3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587500193 RXCZKTRKKDJOIP-SANMLTNESA-N 453.420 6.869 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544441 NUFQEQPKHUJWEN-OWPQXHQJSA-N 470.952 6.846 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587674124 SYEQIZXQSULFAE-WNSKOXEYSA-N 489.226 6.428 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587705037 KSJJROFLRHBFHP-QOJFYFMMSA-N 464.684 5.105 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 587711309 JURDEGWYLREMII-ZMZPIMSZSA-N 459.306 5.599 50 1 JKGF FC(F)(F)c1cccc2c1[C@@](CCCCCCCl)(c1ccccc1)NCC21CCOCC1 962962661 WNLWWBVQKXUYMI-RUZDIDTESA-N 465.987 6.790 50 1 JKGF COc1ccc(C[C@@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962963742 YDOKWHOSFVIRRC-QFIPXVFZSA-N 484.356 5.198 50 1 JKGF Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N/NC(=O)c2cc3ccccc3cc2O)cc1C 5890965 JEBAKYHJTPHXFK-SXBRIOAWSA-N 487.600 5.672 50 1 JKGF C=C[C@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 42875600 PGUZRCYRDRXYDE-PHJHBJNASA-N 456.667 6.800 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587320692 GVJXQSSOYNVJFI-IRLDBZIGSA-N 496.159 6.487 50 1 JKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338601 XRCOOJCVDQKQAO-RNBGLSFSSA-N 477.276 5.847 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O 587417754 PVLOSJLKNAEDTM-GBXCKJPGSA-N 476.787 6.291 50 1 JKGF C[C@@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502407 DZRMJXSOLOCQOI-AVRDEDQJSA-N 453.298 5.713 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539048 UTSPAABUAOHKEL-QPPBQGQZSA-N 464.315 5.434 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C 587688613 MNHRKVFXAUUBPT-VERVWZFWSA-N 485.825 5.391 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 587714226 DUKVWIVAWBFMAX-HUTHGQBESA-N 465.563 5.553 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852503 LWCZILDJWQQGKG-WNTAXODHSA-N 489.838 5.057 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 587853318 PQQIXAZOXBHWKT-GJGGQYFOSA-N 486.410 5.325 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1Cc1ccco1 962698298 GRMGFQQNIROXDI-RUGFAHKUSA-N 498.904 5.374 50 1 JKGF C[C@@](O)(CSc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857578465 DQIJLZZIJPYSAW-MRXNPFEDSA-N 497.429 6.724 50 1 JKGF C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCCCCN=C=S 27431223 MUVARIKITYVRFW-DNQXCXABSA-N 462.707 6.242 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 44221137 QGJLGIKHILXLAN-RQOUOWBUSA-N 492.700 7.299 50 1 JKGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(Oc2ccc(Cl)cc2)cc1 59034396 XHZGPNSGNYLSBW-MRCUWXFGSA-N 458.823 6.582 50 1 JKGF CN(C)c1cc[n+]([C@@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 95594684 KYTXECUUMFOJRX-QFIPXVFZSA-N 472.981 5.038 50 1 JKGF COc1ccc(N[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 102187415 AWDHRXBPSMEKSE-LQUOKZOUSA-N 457.489 5.248 50 1 JKGF C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCC/C=C/[C@H]1C2 195517240 KXYJMXIMQSTFBJ-DYPZWNFHSA-N 486.773 6.245 50 1 JKGF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)CC1 586879979 JSYCUQOPVBWDOL-QAQDUYKDSA-N 458.540 9.351 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)n1-c1cccc(Cl)c1Cl 587054412 FUXKIJYQYZJKHD-MFOYZWKCSA-N 476.367 6.226 50 1 JKGF N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587154024 BPXQGTCWLGSXFL-MGPLVRAMSA-N 472.252 6.463 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 587322600 NMAQTFFGZYUKMV-UPVQGACJSA-N 469.306 5.116 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323300 JMPGTHOLVGZDLB-UKYZCYKDSA-N 454.881 5.040 50 1 JKGF CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331976 QLDNDEXWSVLUCJ-WSFCCBPFSA-N 462.908 5.408 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(F)(F)F)cc1 587507661 NNZXMSZWHXRWHK-AREMUKBSSA-N 487.949 7.091 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 587672221 YFJOIMGGJZIJPH-CRRGMUIASA-N 485.279 6.318 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587700289 AFIJTIUHOJUWLH-XDHFEDCHSA-N 482.674 5.509 50 1 JKGF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587783857 BAPZSKUJLXIPNW-QWHCGFSZSA-N 497.283 6.926 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 587849965 CGEQYGGIQJNILG-QKFKETGDSA-N 495.889 6.327 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 587854977 SQXGRGAPOGGAQD-CWTRNNRKSA-N 458.828 5.052 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(Br)c1CBr 587898252 HEWOUURWZSHTKS-UHFFFAOYSA-N 458.533 5.104 50 1 JKGF Cc1ccnc2c1CCN[C@@]21[C@@H](Br)CCCCCCCCC[C@H]1Br 963068092 JSPGJOHKAMPDIH-RUYXUALKSA-N 458.282 5.783 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1ccc(Cl)cc1Br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l)[C@@](Br)(CBr)CC[C@H](Br)C(C)(C)Br 1639188 NPRTWFMPAGYFEZ-WPRPVWTQSA-N 490.299 5.985 50 1 JKGF O=C1[C@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 1660608 QFQFIQWWLKOPSY-CVEARBPZSA-N 474.544 6.139 50 1 JKGF COc1cc2cc(C(=O)N3CCC[C@H]3CBr)c3cc(OC)c(OC)cc3c2cc1OC 103170122 BKJNKPZBHMUODU-HNNXBMFYSA-N 488.378 5.027 50 1 JKGF Cc1c(Br)cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1C 587009744 QBLWYPSHOUUMFC-SFHVURJKSA-N 459.775 5.062 50 1 JKGF Nc1nc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cs1 587020810 FOJDVVMGLKCCIR-UHFFFAOYSA-N 497.312 7.356 50 1 JKGF CCOC(=O)Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587058529 ZROVFSOFNZVMCZ-UYRXBGFRSA-N 493.394 6.447 50 1 JKGF CC(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 587330008 ZMXOMZXQGDNANZ-IAPPQJPRSA-N 466.980 7.271 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)O2 587381090 FIARJIDNEBJGAA-KRWDZBQOSA-N 450.201 5.130 50 1 JKGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506293 XDKCONATEJMFHD-AUFNVCJYSA-N 451.364 5.158 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1[C@H](C)c1ccccc1 587546896 YTCHSGDAWFJXBI-WOOJDVGNSA-N 487.983 6.516 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Cl)c2Cl)N1 587673810 QFEMAJVWUPQRLV-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587682146 BKRONRDUIKXFBT-OWJWWREXSA-N 487.800 5.857 50 1 JKGF COc1cc2c(cc1C(=O)Nc1ccc(C(C)=O)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857648088 RJBWAWGBWOAPJU-RBJSKKJNSA-N 456.542 5.029 50 1 JKGF O=C(Nc1nc2ccc(OCCBr)cc2s1)c1ccc(C(=O)c2ccccc2)cc1 1911580460 MYXGDDQVVISPPH-UHFFFAOYSA-N 481.371 5.553 50 1 JKGF CC[C@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NNC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356385472 ZIESZGFVAHAKGT-IRWBMYASSA-N 467.742 7.464 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13834907 PKEIKGCWFSUYLM-YGOAYBHVSA-N 491.716 7.200 50 1 JKGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(F)cc1 45348813 RNXFSHINPJUJAN-LUOAPIJWSA-N 450.823 5.709 50 1 JKGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(F)cc1 45349938 OKCJPEUZRNJRFU-LUOAPIJWSA-N 466.822 5.409 50 1 JKGF CCCCN(CCCC)SN(Cc1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103169878 WLDDFQYWIXJXSM-UHFFFAOYSA-N 497.793 7.989 50 1 JKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 141511955 YKSBFBSHBBLBBW-IPLQWIFKSA-N 495.012 5.559 50 1 JKGF COC(=O)c1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c(F)c1Nc1ccccc1 586970779 GPXDEDRXCSIDSY-QGZVFWFLSA-N 450.308 5.093 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CCl)cc2)[C@@H]1c1ccc(F)cc1 587325213 CWAVIIQJDJYFSX-IXCJQBJRSA-N 458.916 6.573 50 1 JKGF O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379296 XVKFXCVGAGRBTQ-UCNVEGJOSA-N 491.334 5.085 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)cccc1Cl 587539933 YTWHANQJVMPPEX-RXVVDRJESA-N 480.141 5.951 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1 587556967 PNQKORMCGYCKQD-WIYYLYMNSA-N 495.247 5.543 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CC1)[C@@H](Br)c1ccccc1F 587569160 PEPYCHHICZLMMY-NKKJXINNSA-N 469.306 5.778 50 1 JKGF Cc1cc2c(cc1F)[C@@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)NCC2 962088083 CGSXLKCKXFEVNV-SSEXGKCCSA-N 473.035 6.818 50 1 JKGF CN1C(=O)C[C@@H]2CN[C@@](c3ccccc3Cl)([C@@H](Cl)C(=O)c3ccccc3Cl)c3cccc1c32 963017665 CEXUHXRHWXUTEP-BUNUKWNGSA-N 499.825 5.781 50 1 JKGF CN1CCc2c(Br)cccc2[C@]12c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 963282106 VHBKHIKGRKWQAV-XMMPIXPASA-N 466.762 5.152 50 1 JKGF C[C@@H]1C(=O)OC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(CO)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]12C 2356403603 PAWRHQGDEKISOW-KXYHADQFSA-N 472.710 6.540 50 1 JKGF CC(C)CCOc1ccc(C(=C(C#N)c2ccccc2)c2ccc(OCCC(C)C)cc2)cc1 13650251 QXQKEMJOXYHFEO-UHFFFAOYSA-N 453.626 8.019 50 1 JKGF CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@@]31OO2 44246945 LZEZMYBERCJAAF-VPUMRVCOSA-N 467.562 5.967 50 1 JKGF O=C(CSc1nc2ccccc2o1)N/N=C/c1c[nH]nc1-c1ccc(-c2ccccc2)cc1 95589733 WUQPZVHGFNAYEE-VULFUBBASA-N 453.527 5.127 50 1 JKGF Cc1ccc2nc(Oc3ccc(F)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084016 ICZVMLGRRXQPGR-XMMPIXPASA-N 469.516 5.926 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 587324140 WICWHEZZPZUBLG-RSXGOPAZSA-N 477.329 6.334 50 1 JKGF CCOc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537725 JTVAQRKCCBAINP-REWPJTCUSA-N 455.304 5.043 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546687 XFRLVVDIFNNHTB-RPLLCQBOSA-N 450.962 6.611 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 587674652 YLLKVVYABRENKU-ZSEKCTLFSA-N 467.220 5.640 50 1 JKGF Cc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587718341 MZRRDJQTHJNHKC-MLCYQJTMSA-N 479.590 5.862 50 1 JKGF COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCCCl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c2nccs2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 17526776 ZCRXQKLDJOQCIH-PMIVHWTLSA-N 487.006 5.434 50 1 JKGF CC(=O)Nc1ccc2[nH]c(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 29323126 ZAZVXCTXGWFSJK-UGAXZCSASA-N 459.933 5.368 50 1 JKGF CC(C)[C@@]12CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@@]4(C)CC[C@]3(OO1)O2 238752865 LSKFUXMHFNDFAV-IPYXEEPYSA-N 474.726 7.243 50 1 JKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@H](O)CC[C@@]21CI 253637039 AYRRINOWVUOXIX-VKYUMKPESA-N 498.533 7.414 50 1 JKGF COc1ccc(NC(C)(C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587201593 TWIABJGRZPAJJR-UHFFFAOYSA-N 486.304 7.339 50 1 JKGF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587267157 FZPACIKWSSYBOL-ZETCQYMHSA-N 476.225 6.005 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Cl)[C@@H]1c1ccc(F)cc1 587370699 AVBPBCSMAJXRSH-XLIONFOSSA-N 467.743 5.896 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682186 BWIUEODZUDGJER-NPMXOYFQSA-N 450.823 6.653 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682428 CHGHMTRRNKLTBI-CMJOXMDJSA-N 481.837 6.124 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587690039 YYJCERKAKXIRMB-FATZIPQQSA-N 461.806 6.012 50 1 JKGF COc1c(C)cc([C@]2(CBr)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1C 963188464 ASTWFMUYSKNTAO-AHKZPQOWSA-N 475.430 6.074 50 1 JKGF C[C@@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857597638 NSBKGWSFLLUXIL-MRXNPFEDSA-N 481.430 6.845 50 1 JKGF C=C(C)C(=O)CCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356466231 YAMAETJPGJWVHQ-QTLGCAHFSA-N 495.399 5.261 50 1 JKGF N#CC(=C(/N)Sc1ccc(C(F)(F)F)cc1)/C(C#N)=C(\N)Sc1ccc(C(F)(F)F)cc1 40802225 VEUNZTOZGSZYMH-YTEMWHBBSA-N 486.466 5.996 50 1 JKGF CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CC(=O)N2CCCCC2)c2ccccc12 95597442 YDFMLBJGFBOJEA-FCDQGJHFSA-N 462.638 5.346 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 169350208 IJLWXMAZQWVPRJ-MKPQLIILSA-N 458.727 8.273 50 1 JKGF C[C@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325098 BYZBOKXOXUHBOW-UKILVPOCSA-N 453.897 5.373 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 587329446 XVLPCVLKEFTHSX-VNMOZLCPSA-N 454.969 6.474 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc([N+](=O)[O-])cc1Br)CC2=O 587457396 YGLYSEOPOIMKGX-IBGZPJMESA-N 499.155 5.271 50 1 JKGF O=C1C[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)Oc2c1ccc1c2CCCC1 587496296 BCMUYFAFBIPTPG-DEOSSOPVSA-N 477.910 5.112 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544840 PCNTUMQHUVJDOF-LXFBAYGMSA-N 494.971 5.719 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587681720 ADXQQKHXSZJSGK-DMZKTXOQSA-N 467.810 5.589 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 587681930 YNSWFRFZMVNNBD-IUPYPOTJSA-N 493.218 5.098 50 1 JKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587688319 LHDNNJVEEOGQAZ-LFPIHBKWSA-N 491.832 6.021 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 587719352 PTGRPQKNGLSVAQ-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587722332 SGTWAQBYRIBYJS-QGHHPUGFSA-N 497.124 5.660 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC(=O)[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 2356860125 UCAWHZRGCBFVGU-ZTMIHMMUSA-N 470.694 7.334 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13558261 PKEIKGCWFSUYLM-QROXQBBHSA-N 491.716 7.200 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3cccc4ccccc34)CC2)OO1 43393448 AHZQMAQQOQKVRB-AECGNCHPSA-N 477.604 7.618 50 1 JKGF Cc1ccc(-n2nc(C)c([C@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CC(C)(C)C4)c2Cl)cc1 169310630 KYVHHTPEJUXMJM-XMMPIXPASA-N 499.018 5.478 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055554 LLWCCKROMCPCQT-AUWJEWJLSA-N 453.289 5.645 50 1 JKGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319604 CHHCYHUGNWOURX-GZGNHOFSSA-N 499.332 5.332 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587321327 DAQYSUTVUMUXNJ-UGKGYDQZSA-N 486.153 6.896 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321740 KMWMSFGGEZLVEN-WLXJBKMTSA-N 485.305 5.298 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325401 DVTWCJPPADXXGW-MCEYFSPLSA-N 491.987 5.807 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@@H](C)c3ccccc3)c1C)CC2=O 587458808 FPKVQYKVDOFQED-XRHLQHRESA-N 451.994 6.472 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)c(F)c(F)c(F)c1F)CC2=O 587466522 OEYZEWJLGFEBPV-IBGZPJMESA-N 465.212 5.296 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1 587496518 DMVDNBOFBLMGQF-SANMLTNESA-N 454.397 6.726 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546365 WIGUKKHPXNOCPO-HFZDXXHNSA-N 465.933 5.473 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 587546451 JXOYNOHZPQEOMQ-GHTZIAJQSA-N 497.238 5.802 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)(F)F)cc1 587558897 YCIFFMOJUQSWHV-GHTZIAJQSA-N 495.247 5.543 50 1 JKGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587676332 GMNKWRTZEBPQJB-XTZNXHDOSA-N 477.599 5.376 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cl)c1ccccc1 587901440 CGUNEFIWSQYIAN-QFIPXVFZSA-N 455.297 5.575 50 1 JKGF Cc1ccc([C@@]2(CCCCCCCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962980529 UZDYLVPIPIIFFT-AUSIDOKSSA-N 456.360 5.958 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)NCCc2c(Cl)cc(Cl)cc21 963106823 LOGMQIKKKHHQOW-GYCJOSAFSA-N 491.256 6.745 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1coc2c(CCl)cc(Br)cc2c1=O 963234728 VPRBWHZNSOHSMC-LHSJRXKWSA-N 460.799 6.040 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)=O)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C(C#N)=C(C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 1857762503 VUBQGFXJQMHAJN-OGCCGZARSA-N 479.705 6.890 50 1 JKGF C=C(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OC(C)=O)CC[C@]12C)OO3 2356799735 UUEPVSUUMBOSHU-RUVXJNLRSA-N 468.678 6.965 50 1 JKGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 169328951 CFAGZVWUNVZOHJ-LJWNLINESA-N 460.639 6.352 50 1 JKGF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586890845 PJHNHULEVPPMNQ-QLJPJBMISA-N 471.289 7.128 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 587322081 LKADCBQEUWIUSD-AHWVRZQESA-N 477.329 6.334 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337832 WAJPPMDLFHUDCM-PWJBXEHMSA-N 459.286 5.708 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Br)ccc1OC)CC2=O 587455814 GMZLIOSXKULUMU-HXUWFJFHSA-N 484.184 5.371 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)c(F)c1)CC2=O 587467448 SEKQTHGJPLFJNC-LJQANCHMSA-N 472.148 5.502 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)([C@@H](C)Br)N1 587671052 OFKFDOXTCQADBG-YRUZYCQGSA-N 461.600 5.803 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccccc3c2)N1 587674717 ZQVZFKXMVVUDBT-ZSEKCTLFSA-N 463.188 5.914 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2C(F)(F)F)N1 587711319 JWLDBTZVBDDIFF-BTDLBPIBSA-N 481.125 5.780 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2ccccc2)N1 963202350 YXWCCKWZTZPXJK-IRLDBZIGSA-N 474.350 6.391 50 1 JKGF N#CC1=C(c2ccc(C#N)cc2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772640483 DDFSXUYDYSASSJ-JOCHJYFZSA-N 493.407 5.534 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](C[C@H](O)[C@H]4[C@@]5(C)[C@H](O)C[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356571647 XQHQIRVSHQEBJY-KKWAUUAVSA-N 472.710 5.145 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccc(Cl)cc1 13675471 WGCPVOVIIPOPSY-QFIPXVFZSA-N 483.399 5.896 50 1 JKGF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(O[Si](C)(C)C(C)(C)C)cc4)CC3)c2c1 170058410 DHDVEADFTXAWRR-UHFFFAOYSA-N 493.768 6.705 50 1 JKGF CCOC(=O)C[C@H]1CCC[C@]2(CCC[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1 195102765 IKNDFYVKBUHURI-KQZWIPHESA-N 493.764 5.197 50 1 JKGF CC[C@H](C)Sc1nc(NCCc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135104 FPBWRCAEWSNSDZ-AVRDEDQJSA-N 466.054 6.352 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc(Cl)sc2Cl)[C@@H]1c1ccc(F)cc1 587370778 BEABPIOESFJWMN-XLIONFOSSA-N 457.737 6.393 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C3CCCCC3)cc1)CC2=O 587456044 JGTZKYYOXQQLCA-RUZDIDTESA-N 457.408 6.648 50 1 JKGF CC(C)(C)c1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O 587501414 XJVAIHPBGWPNIS-MUUNZHRXSA-N 499.489 7.122 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556959 LFGCYKRTKSXMCT-LDMPQPFGSA-N 479.248 5.450 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587679332 FVKBRBLHQYVQNL-LFVRLGFBSA-N 458.758 5.793 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685679 RGVCTYIRGNJGKS-JTBRQZTESA-N 463.819 5.106 50 1 JKGF COc1ccc([C@@]2(CBr)NCCc3c(OC)ccc(Cl)c32)cc1C(F)(F)F 963270050 NPJTVJSVNVFFOS-GOSISDBHSA-N 464.709 5.160 50 1 JKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(Cl)cc3)O2)cc1O 1772629054 YBDCWCBNIOJZJN-MHZLTWQESA-N 493.943 5.679 50 1 JKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1ccc(O)cc1 1772643051 YKMSEVKOTUAVMO-IPBVOBEMSA-N 480.887 5.036 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356482954 CFBBUWFXWSYJHB-IZHXUOQOSA-N 454.695 6.837 50 1 JKGF C=C(Cl)[C@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br 1639185 NPRTWFMPAGYFEZ-PSASIEDQSA-N 490.299 5.985 50 1 JKGF CSCC[C@H](NC(=O)c1ccc(/C(C#N)=C/c2cccnc2)cc1-c1ccccc1C)C(=O)O 36330368 LMGSQMQVUYDBRD-DPUDNOKTSA-N 471.582 5.057 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40877785 VDSHKVZXKLNIOW-FRXIXPCJSA-N 479.115 5.147 50 1 JKGF CC1(C)COC2(CCC(N[C@H]3CC[C@H](Nc4ccnc5cc(C(F)(F)F)ccc45)CC3)CC2)OO1 102810560 ABVNAJXSXMTUMK-ODYYKVCPSA-N 493.570 5.962 50 1 JKGF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587057417 WHJXZEXXZGRXPC-LBPRGKRZSA-N 457.317 5.406 50 1 JKGF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 587271804 IXUOPPQOZPQRRV-UHFFFAOYSA-N 457.380 7.588 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587325921 HXVJNJYKFXCOKI-IXCJQBJRSA-N 474.915 6.817 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)ccc(Br)c1Cl)O2 587382414 QZQBTTDVLDGLPB-KRWDZBQOSA-N 477.555 5.388 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Br)ccc(Cl)c1F)O2 587383101 XMJNDHRSOGVOCP-QGZVFWFLSA-N 477.555 5.388 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)Oc2c1ccc1c2CCCC1 587511012 ZNHOWGMSUWKEHP-HXUWFJFHSA-N 475.251 6.118 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cc(F)cc1F 587554783 FJRIOFCANWUJQK-NQIIRXRSSA-N 465.221 5.062 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 587672636 GROXROLLLLZRLB-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587855614 JVRRBUFSVZHMNO-PDESWJTQSA-N 464.791 5.509 50 1 JKGF COC(=O)[C@]12CCCC(C)(C)[C@@H]1CC(=O)c1cc(C(C)C)c(O)c(O[Si](C)(C)C(C)(C)C)c12 1857601756 STFAQGGHRQWHKB-CCLHPLFOSA-N 474.714 6.723 50 1 JKGF C/C1=C/C[C@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O 33954141 JBVAFOMCWIFYSA-PPAYMQLDSA-N 479.400 5.619 50 1 JKGF in-vitro CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl 84724533 LNHOFAWCXTYPKG-HSZRJFAPSA-N 487.966 5.791 50 1 JKGF Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2)c1C#N 96933504 QHLDEQIQJPJJJX-FTJBHMTQSA-N 489.966 6.167 50 1 JKGF COc1ccc([C@H]2/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 195386483 WCLXKKILRDJVKN-XGCNFVRHSA-N 493.764 7.388 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238739410 BDSKDSKGSUVYFT-VAFIWLDPSA-N 474.726 6.613 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 473169190 MJHMUTYZFNTLDJ-ZNJAMJCFSA-N 454.695 6.383 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587326254 BFGBGDRCCZDDJE-XUZZJYLKSA-N 468.267 5.892 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(SC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510117 YYCYNSWIBYLFOS-HXUWFJFHSA-N 471.338 6.433 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)F)c1 587552857 CGYDJIUXMCRXGP-AVRDEDQJSA-N 477.257 5.246 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567191 FYNGXUHTVBGODK-MIZPHKNDSA-N 457.295 5.258 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 587674274 VRIYWXFIGIDGEP-WNSKOXEYSA-N 489.226 6.309 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587681759 AMAYOTBGUYSINS-SGANQWHYSA-N 483.812 6.753 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689258 RFRYDRYMTBFKRF-QLEMLULZSA-N 467.810 5.588 50 1 JKGF Cc1ccnc2c1CCNC21[C@H](Br)CCCCCCCCC[C@H]1Br 963068064 JSPGJOHKAMPDIH-QZTJIDSGSA-N 458.282 5.783 50 1 JKGF COc1ccc(/C(Cl)=C/C=C(\C#N)C(=O)c2c[nH]c3ccc(Br)cc23)cc1OC 1772592882 YGRWFGSFJFIVMA-SUFUBYJHSA-N 471.738 5.860 50 1 JKGF COc1ccc2ccn(CCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 1857538159 DAEPQPMFIBSNCB-UHFFFAOYSA-N 478.596 6.814 50 1 JKGF CC(C)=CC=CC(C)=CC=CC(C)=C[C@@H]1C[C@@]2([C@@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@H](O)O1 2356535657 GRUFCNNJWIBQMG-AAIYONIQSA-N 484.677 5.500 50 1 JKGF CC1(C)c2ccoc2C[C@@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@H]21 15222198 GSRPFVPTUJOGDD-UEQSERJNSA-N 494.766 8.527 50 1 JKGF biogenic CCCCCCCCCCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372351 ULZLQAWMWUNYHY-NVIGVCJASA-N 464.687 7.466 50 1 JKGF Cl[C@@H](Cn1ncc2c(Nc3ccccc3)nc(SC3CCCC3)nc21)c1ccccc1 299867065 PTJTVFVEJBDKRO-NRFANRHFSA-N 450.011 6.585 50 1 JKGF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(F)c2)c1 587138263 FTSBSPGRNKZPSP-UHFFFAOYSA-N 476.373 7.531 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 587324518 ZVOCAUJJPDUBGX-NOZRDPDXSA-N 499.332 5.342 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587330023 ZVGJPHQPAOUCPU-XTEPFMGCSA-N 466.980 7.147 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587687675 ZQWPFWSEMUBNDJ-SFDCACGMSA-N 456.742 5.774 50 1 JKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587688318 LHDNNJVEEOGQAZ-JBEBIEQOSA-N 491.832 6.021 50 1 JKGF COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCC(Cl)Cl 2356326207 VKISHKUYLSSBSY-NHCUHLMSSA-N 486.952 6.491 50 1 JKGF COC(=O)[C@H](CCC#CC=C(Cl)Cl)[C@H](CCCC=CCC(Cl)Cl)NC(C)=O 2356689321 FRBZGQKWERYAML-CVEARBPZSA-N 457.225 5.303 50 1 JKGF CCOC(=O)NC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 27988377 OACREECPZNMZEK-KTMFPKCZSA-N 498.343 5.839 50 1 JKGF COc1ccc(/C=C/C(=N\NC(=O)Nc2ccc(Br)cc2)c2cc(O)ccc2O)cc1 103212222 CACCGMCSLFGKHB-CJOQMGBKSA-N 482.334 5.108 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12 255263361 RSWXPVPZBRSTKP-VATBJYKKSA-N 496.732 6.955 50 1 JKGF N#CC1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587320551 ATVFSMYDIVDXDR-ISKFKSNPSA-N 478.273 5.348 50 1 JKGF COc1cccc(-c2cc(-c3cc4c(cc3NC(=O)CCl)OCO4)nc3c2oc2ccccc23)c1 587356953 CNCOQSKIWJBIKJ-UHFFFAOYSA-N 486.911 6.230 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(Oc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587415779 XHDUYGIAJJZIEH-HHCYOLOASA-N 465.343 5.914 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 587542294 GLDNKSRCYDQWFJ-IRTCRQIFSA-N 464.989 7.123 50 1 JKGF N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546979 KPJQUJKGFYQAJT-DENIHFKCSA-N 457.429 5.482 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587672198 DZGSNAJUMXSTMV-ZSEKCTLFSA-N 469.236 6.058 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587687112 YYFVWUBULGYXMS-FATZIPQQSA-N 489.772 6.180 50 1 JKGF N#C/C(=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 587883663 RMKNGTCWJSGTKS-HMAPJEAMSA-N 479.794 6.421 50 1 JKGF C/C(=N\NC(=O)c1ccc(C(=O)O)s1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O 43151450 JYODIYJKYDDIDN-ODCIPOBUSA-N 455.344 5.341 50 1 JKGF investigational Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccccc1Cl 45349172 OULWNDFPGAKKHX-LUOAPIJWSA-N 467.278 6.223 50 1 JKGF COc1cc(-c2cc(=O)c3ccc(OC(C)=O)cc3o2)cc(OC)c1O[Si](C)(C)C(C)(C)C 195212434 JUIQWJIOHHQGOR-UHFFFAOYSA-N 470.594 5.787 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985032 DWOYJJPWPBIZIH-UHFFFAOYSA-N 490.899 5.074 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054223 DBCPNYABQPHJLJ-NAVGAYGYSA-N 465.344 6.065 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)O2 587376345 WUEJISGZZGUAJO-VWLOTQADSA-N 474.439 6.133 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497257 IAIBSUSMNLSXQU-XDBZFTIUSA-N 459.973 6.040 50 1 JKGF COc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F 587507254 PMJZIAGBXMSIRM-QFIPXVFZSA-N 467.306 5.431 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587539539 WYRVDOYVNIGXKL-RNXZCGPXSA-N 489.749 5.695 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)s1 587611091 FHYTXPURBUZYIO-LPHOPBHVSA-N 496.176 5.468 50 1 JKGF CC(C)c1cc(Br)c(N=C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587877255 ATMKBUPXKODNAW-UHFFFAOYSA-N 480.189 5.557 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)[C@@H](C#N)c1ccccc1 963196837 RNYVTPHHJOGPKO-JIMJEQGWSA-N 456.387 5.707 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1ccccc1OCC(F)(F)F 963271111 SDZYNPLOQHYOFG-SFHVURJKSA-N 493.161 5.517 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccc(F)cc1 13675457 SMFUZLCKIPKAPL-JOCHJYFZSA-N 466.944 5.382 50 1 JKGF CCOC(=O)/C(C#N)=C\C=C1/C=CC=CN1CC(=O)N1c2ccccc2Sc2ccccc21 95595591 AJGHQAYNARSUHK-FANOUHKGSA-N 455.539 5.098 50 1 JKGF CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)C[C@@H](Br)P(=O)(O)O 473137678 ZHWWGWUYVZSXFU-XSAZBNQGSA-N 485.396 5.437 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2nnc(-c3ccccc3)o2)[C@@H]1c1ccc(F)cc1 587326700 MQXODGSALLLLDJ-YKSBVNFPSA-N 450.853 5.075 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587545172 QCBTWEGOENPHTQ-YMAGALGMSA-N 477.900 5.581 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587616964 IDEYMHRHGAEQCN-YKSBVNFPSA-N 466.946 5.352 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587685800 BFUCTKLZCNANBC-XMHCIUCPSA-N 467.810 5.488 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 587686324 CNVWVQWJSHOAQJ-IZHWHUGBSA-N 475.833 6.071 50 1 JKGF O=C(NN=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1F 1772636256 IPRSNMLWTNXASL-DHIUTWEWSA-N 455.455 5.796 50 1 JKGF O=C(CCl)Nc1ccc(-n2nc(OC3CCCC3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857637326 ZOFBXHXMBYLJOG-UHFFFAOYSA-N 465.768 5.740 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](C[C@H](O)[C@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356571646 XQHQIRVSHQEBJY-BSJBXFIPSA-N 472.710 5.145 50 1 JKGF Cc1ccc2c3c(cc(-c4cccc(NC(=O)C(C)(C)CCl)c4)nc13)-c1ccccc1C2=O 586994320 YEHYHKAMOKLIGG-UHFFFAOYSA-N 454.957 6.625 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnn(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 587323760 TVZAQSLHQLRZIC-NOZRDPDXSA-N 493.332 5.366 50 1 JKGF CC(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324944 AZTBLANRKXXGNE-NAKRPHOHSA-N 466.980 7.102 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325430 FMJYPELEWVDORE-WNCULLNHSA-N 481.951 6.009 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587332112 IYOQXXRNVVVFQX-FYYLOGMGSA-N 459.286 5.710 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537580 IEHDIXFAIOBPLO-JOGUKUGOSA-N 455.304 5.041 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2Br)N1 587674667 YUTUWHZFDJOCRY-DYZYQPBXSA-N 492.024 5.523 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682033 BDMNJVOHNDEAJS-GGOJBBCOSA-N 481.837 5.062 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587712634 PVJYPFCWTYLDNS-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc2nc(C)cc(C(=O)NN=Cc3ccccc3O)c2c1 587908565 BCZWLXGNCFMFKW-UHFFFAOYSA-N 469.928 5.075 50 1 JKGF CCC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc2cn(Cc3nc(C(=O)OC)co3)nn2)C1 1857612272 HJOLSBOMABQASP-GGPKGHCWSA-N 476.694 5.250 50 1 JKGF Cc1c(Cl)c(=O)oc2cc(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)ccc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c1ccc2cc(-c3cccc(CI)c3)cc(CCNC(C)=O)c2c1 40916760 MWHAUAMXMYZVSK-UHFFFAOYSA-N 459.327 5.129 50 1 JKGF in-vitro C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 64447384 TUOWZYCUYKWSSK-GXJVVJEWSA-N 469.503 7.175 50 1 JKGF O=C(Cl)[C@H](Br)CC[C@@H](Br)C(=O)c1coc2ccc(Cl)cc12 587275563 BQQSMEQQWLUZIQ-GHMZBOCLSA-N 456.945 5.342 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587538074 MZFVVCONXZSEPH-IJIZOXLDSA-N 473.750 5.995 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 587546340 WDKLGFLAGTWDJV-GGXMVOPNSA-N 487.983 6.149 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587673935 RSMLIQHDLBNVHI-SPLOXXLWSA-N 485.235 5.940 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674583 XQUUHQXTMPHSCV-WLRWDXFRSA-N 491.626 5.731 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587685200 OELLEEINNQJHMW-UYTHQXMGSA-N 477.846 5.496 50 1 JKGF COc1ccccc1CC(=O)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587932704 YPECDZKIVYDPIY-UHFFFAOYSA-N 471.245 6.417 50 1 JKGF Nc1c(C(=O)N/N=C/c2ccc(Cl)cc2)oc2nc(-c3ccccc3)cc(C(F)(F)F)c12 1857752138 BUVVKHDJAOHHEE-IPBVOBEMSA-N 458.827 5.513 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O 2356439694 AAWUBULPPJPQDA-GQYGKXKSSA-N 486.693 6.305 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2356502053 VVGUCLDOXVGZMK-GRFJDIJOSA-N 454.695 6.384 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)Cc3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101139388 ISALWGRBIAEUPE-ROAGLSPNSA-N 478.585 5.647 50 1 JKGF CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](N=C=S)[C@@H]32)CC[C@@H]1Cl 166479978 MSRJKIPSWOKGIA-QJUHQHJTSA-N 457.105 5.462 50 1 JKGF O=S(=O)(Nc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587171563 RWUDDMZNMFXQAF-UHFFFAOYSA-N 493.454 6.827 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(OCc3ccccc3)c1)O2 587372480 IZKDZZQVYXEJNT-XMMPIXPASA-N 452.348 5.412 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21 587670986 NFXDYRMFMMHIED-SMDDFHAHSA-N 496.218 5.347 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 587673355 MGRJFFOQVLYWLG-FPOACIOASA-N 475.284 6.731 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674634 YIPHJBBSXLBHNG-QKKBWIMNSA-N 484.251 5.607 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 587856019 LQQUIFBJKXHJPL-MYVRFGTNSA-N 478.818 5.898 50 1 JKGF COc1cc2c(cc1OC)[C@@]1(CCC[C@@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672578 KFVYWTRWGBEFJR-RBBKRZOGSA-N 453.888 5.408 50 1 JKGF CCCC[C@H]1C(C#N)=C(C)NC2=C1[C@@]1(CC(C)(C)C2)NCCc2cnc3c(OC)cccc3c21 963055648 KJXMIIQFVRCLTD-WRONEBCDSA-N 456.634 5.866 50 1 JKGF C[C@@]12CCSSC[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H](C1CCCC1)[C@]42CC3=O 2356690265 QUBZYNIUKRPXNZ-MXIZAVQYSA-N 461.741 5.676 50 1 JKGF CCc1cc(C(C)(C)CCCCCCN=C=S)cc2c1[C@@H]1CC(CO)=CC[C@H]1C(C)(C)O2 27303290 ZWSFJJNCYUPGKF-DNQXCXABSA-N 455.708 7.163 50 1 JKGF CC(C)(/C=C/C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21)OO 66251304 LQPSEQWINGOYLK-UHVZVPEASA-N 484.677 6.527 50 1 JKGF CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 137461883 HYJRGCBMQQQTHM-WQMLLWSVSA-N 490.725 5.584 50 1 JKGF O=C(N[C@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1 587217660 CLIQPIWTQHCYHS-LJQANCHMSA-N 453.436 6.740 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587325000 BNDCTWVWDLPMRI-XRKRLSELSA-N 489.974 6.740 50 1 JKGF C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573594 ZZKALJSOSBODGE-RXVVDRJESA-N 458.404 6.927 50 1 JKGF CSc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O 587843095 GQYAUNVUYNPNIN-YBTHPKLGSA-N 471.823 5.285 50 1 JKGF Fc1cc([C@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)ccc1Br 963110413 PMKWODSRRRPOKE-INIZCTEOSA-N 467.991 5.679 50 1 JKGF O=CC(=Cc1cc2c3c(c1)CCCN3CCC2)CCC=Cc1cc2c3c(c1)CCCN3CCC2 2356453912 QDESKKPRIWQOPP-UHFFFAOYSA-N 452.642 6.160 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)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 38151431 VGVCPRLQICAVQJ-KGNNNJNTSA-N 491.672 6.291 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 95808257 PFKWVYJTXJFZMU-WPWMEQJKSA-N 467.953 5.735 50 1 JKGF C[C@H](Nc1c(-c2c(F)cc(OCCCCl)cc2F)c(Cl)nc2ncnn12)C(F)(F)F 222758424 VWPGWCINAFBYON-QMMMGPOBSA-N 470.229 5.093 50 1 JKGF COc1cc([C@@H](c2ccccc2)N(CCCl)CCCl)c(O)c2c1C(=O)c1ccccc1C2=O 473085958 ZJMBBCSEKPLCNC-HSZRJFAPSA-N 484.379 5.045 50 1 JKGF CCCCCCCCOc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586971044 KXDMEQSHPVKKIH-UHFFFAOYSA-N 489.252 5.118 50 1 JKGF CC[C@@H](Oc1ccccc1F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587155536 LZVKJNPEPRJVCA-CYBMUJFWSA-N 475.252 7.652 50 1 JKGF Fc1cncc(Cl)c1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587175787 HTYFRFVJMADBGN-UHFFFAOYSA-N 466.632 6.761 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@@H]1c1ccc(F)cc1 587325466 FURKIZBYBBOJHV-XRKRLSELSA-N 470.927 6.596 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587326297 KLNSSWZPVJUEAH-PDDLMNHVSA-N 497.953 7.173 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587326522 LSBKCYYWUNPVAX-LMSSTIIKSA-N 489.974 6.740 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)O2 587383869 WWJDYWNCKQJCEZ-LJQANCHMSA-N 478.236 5.036 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr 587455411 BOLANZLWLCTLFB-DJSIVUHMSA-N 486.244 5.643 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](CC(C)C)NC(=O)OCc1ccccc1)CC2=O 587458436 BQZLNNTWTFCTJN-JYFHCDHNSA-N 473.997 5.629 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 587551037 XKYSQSBYKRQQOB-NQIIRXRSSA-N 497.238 5.802 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587709997 PTELRRIJRATJDC-VVVCHXIZSA-N 450.657 5.307 50 1 JKGF CCCCCCCCCCCCCC[C@]1(CBr)c2ccccc2C[C@H](C)N1CCC 963236677 GMVQYUSZVZIGSL-LSYYVWMOSA-N 478.603 9.025 50 1 JKGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356367766 DVNUPPNHQFGMGA-FEIDPOFDSA-N 491.767 5.053 50 1 JKGF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 587030245 BWXIIOIFZBLWEW-FBWGLTFQSA-N 496.552 7.347 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327030 ODZZZSIHRYVVJR-XNMGPUDCSA-N 481.951 6.009 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 587671089 PNRIKZUUFVJZOR-SOHPYSCWSA-N 483.263 6.447 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2)N1 587674263 VNKIRUFEZWROND-BMLIUANNSA-N 492.024 5.523 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682431 CHGHMTRRNKLTBI-WNSKOXEYSA-N 481.837 6.124 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587687673 ZQWPFWSEMUBNDJ-MYODQAERSA-N 456.742 5.774 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711610 LHGAVKCKUBCPPX-QGHHPUGFSA-N 481.125 5.780 50 1 JKGF CSc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O 587845085 MTKHIFDADPPZHX-YBTHPKLGSA-N 471.823 5.285 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(-c3ccc(Cl)s3)cc(C(C)(C)C)c1)(C(C)C)C(C#N)=C(N)O2 1772637046 RQSYKFMBRNMOQW-VWLOTQADSA-N 467.038 6.426 50 1 JKGF C/C(=C\CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)CO[Si](C)(C)C(C)(C)C 1857638067 JGQSMACHANJTOE-BVPFGABSSA-N 485.634 6.088 50 1 JKGF Cc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 13151890 KYRNWYOEFCYHDC-UHBFCERESA-N 482.971 5.366 50 1 JKGF ClCCN(CCCl)c1ccc(OCCNc2c3ccccc3nc3ccccc23)cc1 26823435 KAOFJHVJVUNBOC-UHFFFAOYSA-N 454.401 6.163 50 1 JKGF CCN(CCCCCCNC(=O)CCCC[C@@H]1CCSS1)Cc1ccccc1OC 38269508 PAPNIDWABUXIRG-JOCHJYFZSA-N 452.730 5.908 50 1 JKGF CC[C@H](Br)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320141 DWCGITRZUAGWCV-XKCSPQBFSA-N 456.311 5.354 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541694 DCDMGQIPBSNXJK-RLSLOFABSA-N 475.969 5.271 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cccc2Cl)N1 587674022 SBNPSWHPEUNHKG-HUTHGQBESA-N 482.018 6.068 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674059 SKDWXBFCXAEXNC-PRWKNARSSA-N 466.192 5.551 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@@H](C)c1ccccc1 587690126 ZIAXIYGVNWHISN-FZXICVGQSA-N 489.860 6.632 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 587852081 JYXWISOWSNKUPG-PDESWJTQSA-N 496.858 5.688 50 1 JKGF CO[C@H](C)COC1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 587950942 FIBMDBYNAHEFMS-VOMCLLRMSA-N 493.336 7.061 50 1 JKGF CC(C)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@]12CC[C@@]1(O[Si](C)(C)C(C)(C)C)O[C@H]1C2 653810950 RWKVJIAHIFHEGC-VAXWOWNTSA-N 466.855 7.898 50 1 JKGF COc1ccc(C[C@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962963737 YDOKWHOSFVIRRC-JOCHJYFZSA-N 484.356 5.198 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]3(C)CC[C@@]23C[C@@]13CCC(=O)O 2356433596 OGLJBMBPKNBOON-YGKBSAOKSA-N 468.678 6.787 50 1 JKGF C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)CC(c2ccc3c(c2)Cc2ccccc2-3)=CC=C1C=O 35077267 DZROGVSZBXIYIQ-UMSFTDKQSA-N 450.581 7.699 50 1 JKGF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 38140060 CUWJDZXEDIUEEW-OTLNGPFXSA-N 486.737 6.325 50 1 JKGF CCOc1ccc2c(c1)Oc1ncn3nc(CCCCl)nc3c1[C@@H]2c1ccc(Cl)cc1 95596622 YMXVXYUCCZIJCA-HXUWFJFHSA-N 455.345 5.634 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587323470 KJNJVIPLXFAQKS-IRLDBZIGSA-N 461.714 5.787 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1Cl 587333174 MHVHGGVMDNRTMV-JTHBVZDNSA-N 493.731 6.282 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539244 VAQOZIPVKXBPRK-YBJNYKISSA-N 465.343 5.521 50 1 JKGF COc1ccc(C(=O)c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3o2)cc1 1857646671 ROOMLXNPVNPPLL-DEOSSOPVSA-N 482.536 5.432 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@]2([C@H](O)O1)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356461794 UYSHRHKOHCLBCE-HRLYRCPASA-N 486.693 5.724 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@@]23[C@@H](CCCO[C@@H]2O1)C(=C(C)C=O)CC[C@]3(C)O 2356562369 RPXRCEJKIKHRBO-AAIYONIQSA-N 468.678 6.770 50 1 JKGF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1 587113367 IKVQYSMMERTFKA-UHFFFAOYSA-N 480.380 8.698 50 1 JKGF N#C/C(=C/c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587188906 WQVKWSBTXJEQAF-WDZFZDKYSA-N 450.230 7.047 50 1 JKGF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587230164 FTYXMFHSMBRPOY-UHFFFAOYSA-N 492.470 5.168 50 1 JKGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325503 YFOANENZKRNZFF-RJZKYMFLSA-N 453.897 5.371 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1)CC2=O 587455373 BDPPHHROIKFEAH-IBGZPJMESA-N 454.158 5.363 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)CC2=O 587493451 HPKYSBRCMHYYBL-HSZRJFAPSA-N 450.000 5.168 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1(c2ccccc2)CC1 587537413 FDKNUUQPVXCIGJ-YKSBVNFPSA-N 451.316 5.219 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 587544823 PBMGRHUDJBPTRF-LEAFIULHSA-N 473.956 5.955 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 587551036 XKYSQSBYKRQQOB-GHTZIAJQSA-N 497.238 5.802 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587729235 CLTXBXBBUGIUJJ-ZLOXQWCVSA-N 479.796 6.151 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)N1 962946182 KMOQOQOIFYZBGT-XRHLQHRESA-N 482.455 6.644 50 1 JKGF C=C[C@@](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)(OO)C(C)C 2356582604 PGUZRCYRDRXYDE-STDSRWGZSA-N 456.667 6.800 50 1 JKGF CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Nc3ccnc(C(F)(F)F)c3)c2)c(O)c1 96938927 NQQWKMSKCBBMGF-WKULSOCRSA-N 471.483 5.160 50 1 JKGF Cc1c(C(=O)OC/C(O)=C(/C#N)c2nc3ccccc3[nH]2)oc2ccc(Br)cc12 102900928 IQSBQFIUCFCSKG-SAPNQHFASA-N 452.264 5.030 50 1 JKGF C/C(C=O)=C/CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 238783526 FPOOHFGLFKYUON-OBQYAXQJSA-N 495.399 5.261 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccnc(Cl)c2)[C@H]1c1ccc(F)cc1 587324523 ZZZSGWSILFHXBZ-PZJWPPBQSA-N 462.702 5.229 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC3)N1 587672802 IADZJHWDXUMZEP-YUNKPMOVSA-N 453.193 5.250 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685207 OJDSNXGHNDGZIR-JLCFBVMHSA-N 467.810 5.589 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 587719747 LQHJTLGHMHETMD-BTDLBPIBSA-N 497.124 5.660 50 1 JKGF N#C/C(=C\c1cccc(Cl)c1)C(=O)NCCCCCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1 13676766 OBUOKQOGCNVGOT-JFMUQQRKSA-N 495.410 5.300 50 1 JKGF ClCCN(CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)Cc1ccccc1 28646525 VPYQQIHCRRKVJF-UHFFFAOYSA-N 494.430 6.356 50 1 JKGF CCCCCCCCCCCC/C=C\N(NC(=O)COC)C(=O)CCCCCCCCC 72126884 HZOWHYHEDAUGGZ-GYHWCHFESA-N 452.724 7.458 50 1 JKGF COc1ccc2nc(Oc3ccc(F)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084576 WCKLMYNGQGZYDV-DEOSSOPVSA-N 485.515 5.626 50 1 JKGF O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1 103291906 SIFDKBCBQLPQIK-JVWAILMASA-N 469.591 6.484 50 1 JKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 138148113 YCWNSSLCHYTWSQ-KWNCXWPFSA-N 478.557 5.045 50 1 JKGF COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 299861430 LJPHBKPSBNDWLG-NDZAJKAJSA-N 466.537 5.617 50 1 JKGF O=C1c2ccccc2-c2c(CCBr)c(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 586984389 KWJDCUPJARSCMZ-UHFFFAOYSA-N 464.746 6.410 50 1 JKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325127 WSWCOKWRGYWDIB-BFEDEESGSA-N 455.913 5.561 50 1 JKGF O=C1C[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 587503717 CLPZFHLXGDAOPD-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF CSc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615358 XGUNEWRIRSNKCY-SIKLNZKXSA-N 457.345 5.366 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671474 SDXITHODBRYEAL-CFGAKRJMSA-N 471.208 5.548 50 1 JKGF CC(C)(C)[C@]1(/C(C#N)=C\c2ccc(F)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963475 YRLGKGIVGBJBKT-ZJZDKHPXSA-N 472.526 6.344 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cc(Br)ccc2Cl)N1 962965250 ZWZPRXYOMGFWIL-RNODOKPDSA-N 482.647 6.147 50 1 JKGF CC[C@H]1Oc2oc(cc(=O)c2Br)CCC#CCC=CCC=CC[C@H]1Br 2356736837 TXUVKVIZMJASCN-SJLPKXTDSA-N 470.201 5.556 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)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 38151435 VGVCPRLQICAVQJ-NPVNAIGVSA-N 491.672 6.291 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 64447337 ZJAXFDHOVCMKDP-GXJVVJEWSA-N 469.503 7.175 50 1 JKGF Cc1cc2c(cc1C)C(Cl)=C(/C=N\NC(=O)C1=C(Cl)c3cc(C)c(C)cc3CCC1)CCC2 299824692 LPVJXSLECBDXNN-BVMLUPFRSA-N 481.467 7.295 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587000657 JIAFIUUSJQEYLS-UHFFFAOYSA-N 479.268 7.715 50 1 JKGF CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325388 DTDLQLDMIZNQGA-AHKZPQOWSA-N 481.951 5.093 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 587690105 ZCSXAVAPGWFQHY-NQTJOHCISA-N 463.822 5.868 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587705038 KSJJROFLRHBFHP-ZSSDLHNXSA-N 464.684 5.105 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 587715495 CSMAQANHDIUJCG-JCICBKHFSA-N 495.152 5.761 50 1 JKGF CN1C(=O)C[C@@H]2CN[C@@](c3ccccc3Cl)([C@H](Cl)C(=O)c3ccccc3Cl)c3cccc1c32 963017673 CEXUHXRHWXUTEP-ZDEBZOIISA-N 499.825 5.781 50 1 JKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(C2CCC2)N1C(=O)c1ccc(Cl)cc1 963020999 ODXRDEBRZIDQDQ-YKSBVNFPSA-N 457.357 5.207 50 1 JKGF O=C(CCNC(=O)c1ccccc1/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 1772655434 ZLEJUKDSKBBBOJ-QSXCDPBRSA-N 467.356 5.014 50 1 JKGF Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 169299311 YCLFNFMIGLHWRQ-HDBALRTBSA-N 453.347 5.307 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O 587461700 XYEKQVDJSHKVOQ-XNMGPUDCSA-N 493.943 5.180 50 1 JKGF Fc1ccc(F)c([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962633627 LXPJWJCONNMDQM-PXDATVDWSA-N 469.373 5.350 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)c3ccsc3CCN2Cc2cccnc2)cc1 963014392 SLPUMYLYWNOLMV-JIPXPUAJSA-N 453.095 7.195 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC(C)(C)CC1=C2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 963241900 OMVWCROXPRZPOF-STPZGONCSA-N 488.075 6.774 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCCCCCl)c1cccc(Br)c1 963579267 HSEMRVIXZHUFBV-HJPURHCSSA-N 466.847 6.043 50 1 JKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C 1857748681 SCAKGIWGQUBTJI-XBRGCQBRSA-N 462.703 5.200 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3=O 2356326249 VQGRARXMDOEPFR-GSVFURCNSA-N 470.694 5.808 50 1 JKGF COc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@@H](C)Cl)c1 201470018 DONXSTOIDIWGNV-QGZVFWFLSA-N 452.938 5.117 50 3 JKGF Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C(C)(C)CCl)nc2c1 4156524 UOWQNALTBNAABR-UHFFFAOYSA-N 470.057 7.107 50 1 JKGF C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 64303488 WATYTHBCFKCYKG-SZKRUERPSA-N 480.604 7.659 50 1 JKGF CCCCCCCC[C@@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103280991 YRBRRRYWFFTCHH-RDOKFVIMSA-N 456.896 7.395 50 1 JKGF CNc1cc(Cl)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587067334 VCQSYUZTVFKSQL-UHFFFAOYSA-N 462.669 7.345 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324623 RZRVBFKMGCKIBN-YNLFQQRNSA-N 453.897 5.371 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587686180 BWVSJVCFUKBJQR-NPMXOYFQSA-N 452.839 6.852 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 587715433 HQIREFYJDNNCOR-XYZCENFISA-N 465.563 5.553 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2C12[C@@H](Br)CCCCCCCCC[C@@H]2Br 963227630 JXIMFYIUOOKXFC-OIBXWCBGSA-N 499.375 7.590 50 1 JKGF CCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)C)CO[P@](C)(=O)F 1857603081 KAMDIPZCMWRTLU-WSOHHNGFSA-N 464.599 7.780 50 1 JKGF C[n+]1ccc(Nc2ccc(Sc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 55775647 SNJIBKRFPQVEAN-UHFFFAOYSA-O 483.488 6.843 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 587324124 WCLAQFGSAWTZRF-UNMCSNQZSA-N 496.159 6.487 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccccc3)c1C)CC2=O 587461709 SKEUCLWNUKHSOT-HHHXNRCGSA-N 451.994 6.105 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCCC2)cc1 587537495 GFXMWBMOPIJVGQ-BVAGGSTKSA-N 494.385 5.635 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)F)cc1 587557245 QWASNJNHADPTCM-PGRDOPGGSA-N 477.257 5.246 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3o2)N1 587672793 HWTCIBGZDMGIEZ-WLRWDXFRSA-N 453.149 5.507 50 1 JKGF CC(C)c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689454 SONASZJZZTVVGZ-CMJOXMDJSA-N 452.839 6.852 50 1 JKGF CC(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc1 653710217 RTRKIKQPHZJWHN-FQEVSTJZSA-N 464.416 5.719 50 1 JKGF CC(C)=CCCC(C)=C[C@@H]1C=C(CO)[C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)[C@@H]2O1 2356859988 UAIWZHQILBAHGX-QAZKHYNXSA-N 486.693 5.211 50 1 JKGF CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 101000449 PYENPPCJTKAHBP-PBWOLCSJSA-N 456.554 5.701 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cccc(C(C)(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057309 VCCIBXKAUXQXEH-QGOAFFKASA-N 463.412 7.639 50 1 JKGF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587111448 CWSWIFLTVFQCGW-QGZVFWFLSA-N 473.389 6.639 50 1 JKGF Cc1ccc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587319460 BTTCJXKOVYCOQH-UPVQGACJSA-N 455.323 5.797 50 1 JKGF N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587327346 PJRBDGLXILVVLC-AHKZPQOWSA-N 474.919 6.158 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587328436 UMQVNAWPGKULOY-IXCJQBJRSA-N 458.916 6.692 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537793 KIVUTHNQVBIGSU-BWKNWUBXSA-N 492.325 5.608 50 1 JKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587556258 NVWBHFUYSPGVPU-AUSIDOKSSA-N 491.284 5.554 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587669659 FSUYAIUEAFWGNY-JGRMJRGVSA-N 487.207 5.167 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2Br)N1 587672674 HBFKYVBQCXHMJM-QGHHPUGFSA-N 492.024 5.523 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 587672930 IYQGHNGBNPAGJK-CMJOXMDJSA-N 489.226 6.309 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 587673850 QTKYPYRUZIPLBZ-SZNDQCEHSA-N 482.235 5.361 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2cccc(Br)c2)N1 587676528 FDQPRCFYSKQXNQ-VOJFVSQTSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587678818 DDWNDYSFNNLOOZ-DAOPMYJZSA-N 456.742 5.774 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587685224 OOGVXGJQLPDHFK-PSLXWICFSA-N 494.788 5.537 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685276 PFPWSRNRJUFPTL-YEJXKQKISA-N 453.783 5.199 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 587688740 NTFIAASQSDCJLZ-HGPNYFESSA-N 483.812 6.827 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689015 OQUKJXKNAAEKHM-JGMWFTNYSA-N 471.798 5.115 50 1 JKGF Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587715312 HJFCRCREVHROPJ-WYRIXSBYSA-N 493.161 5.671 50 1 JKGF CC(C)c1nn(C)c2c1[C@@](CCCCCCCl)(c1cccc(Br)c1)NCC2 962918056 MTLHPGROVKYFJM-JOCHJYFZSA-N 452.868 5.885 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(NC(=O)OCCCCl)cc1 963281633 UAPZADYNESWPSW-NRFANRHFSA-N 451.792 5.378 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)N2CCCc3ccccc32)cc(C(F)(F)F)c1 1857768573 PJDAUNQKVWFQHC-UHFFFAOYSA-N 466.931 5.916 50 1 JKGF CCCSc1nc(NCc2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 66058924 DFFVHOAXGOUFSU-FQEVSTJZSA-N 472.445 6.574 50 1 JKGF O=C(c1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72178341 HGVVCHZCJGHEPZ-GHVJWSGMSA-N 460.233 6.156 50 1 JKGF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 586982050 YUOSQPHGKVFNDW-UHFFFAOYSA-N 478.284 7.749 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057275 UXHOVLMGZXEWDH-WQRHYEAKSA-N 478.383 6.043 50 1 JKGF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587119027 WENZULFWEWWIJR-UHFFFAOYSA-N 451.299 5.701 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320334 FJFSJAZWKJEGER-ZCYQVOJMSA-N 485.349 5.968 50 1 JKGF C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331258 IYDIDQAKIYPYRW-AOHZBQACSA-N 491.303 5.933 50 1 JKGF Cn1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl 587499273 SFZYOTQEXCEFBZ-FQEVSTJZSA-N 475.199 5.556 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499353 MIGAGGLIPVXGNA-WIOPSUGQSA-N 470.407 5.804 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccc2)cc1 587537337 CUIWUGDTTLTIFO-SQHAQQRYSA-N 487.349 6.311 50 1 JKGF O=C(Oc1ccc2ccc(=O)oc2c1)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621431735 CDVKCFDUKCQFBD-MZCOIPHCSA-N 468.502 5.078 50 1 JKGF FC(F)(F)c1ccc2nc(SSc3nc4ccc(C(F)(F)F)cc4s3)sc2c1 1772614654 CWHHANPJFDZJLF-UHFFFAOYSA-N 468.494 7.743 50 1 JKGF COc1cccc2c1ccn2CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857538773 PFMDPFQASSLBOF-UHFFFAOYSA-N 450.542 6.034 50 1 JKGF O=C1[C@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl 1660614 MNJGKVUCKBAOIV-HUUCEWRRSA-N 490.999 6.653 50 1 JKGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccnc1Nc1cccc(C(F)(F)F)c1 45387783 YGMCVGSFACWOCM-LUOAPIJWSA-N 453.251 5.915 50 1 JKGF CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195345669 ULZLQAWMWUNYHY-QXDFQUMBSA-N 464.687 7.466 50 1 JKGF CCCCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323516 RGYCEZIDUAURCM-VPUSJEBWSA-N 497.404 6.913 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2cccc(Br)c2)[C@H]1c1ccc(F)cc1 587324971 VXKBFBXJOKEAPR-JTHBVZDNSA-N 475.741 5.873 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(C(C)(C)C(=O)OC)cc1)CC2=O 587461922 VENCVNYPQQSJPZ-SANMLTNESA-N 458.982 5.675 50 1 JKGF CC(C)[C@@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670341 KGJWHDMFXQVJNK-GBLZOACLSA-N 455.209 5.786 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(F)c1CBr 587894534 NQJBNRHIUKJKCD-UHFFFAOYSA-N 463.561 5.391 50 1 JKGF CC(C)=CCCC(C)=CCN1C2=CC(=C(C#N)c3ccccc3)C(=O)C(C(=O)O)=C2Nc2ccccc21 2356409661 OUFOYESJSNKGDB-UHFFFAOYSA-N 491.591 6.394 50 1 JKGF Cc1c(C)c2c(c(Cc3cn(CCCCC[C@@H]4CCSS4)nn3)c1O)CCC(C)(C)O2 45347764 GEKBZYGRDRNQRK-LJQANCHMSA-N 461.697 6.009 50 1 JKGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCC2 103951063 WHMKHJKLGZAIGT-HXUWFJFHSA-N 471.416 5.214 50 1 JKGF CC(C)(/C=C\C[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OO 255276663 WKQMXHFMAPGWJI-QHVXLYQJSA-N 474.726 6.920 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587323692 MHYXDRUDOQMXGG-JTHBVZDNSA-N 475.741 6.177 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)CC2=O 587456052 JLQSIDMJHRCMIX-GTJPDFRWSA-N 453.760 5.651 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682653 DENRZXAHAWLLMK-WNSKOXEYSA-N 450.823 6.653 50 1 JKGF COc1cc2c(cc1OC)[C@H](c1ccc(CBr)c(C(F)(F)F)c1)N(C)[C@H](C)C2 962570100 NDOZRHUFFFHPGD-ODXCJYRJSA-N 458.318 5.583 50 1 JKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccccc1OCC(F)(F)F)N(C)[C@H](C)C2 962576282 WSAUGGCYDNMKKI-SPLOXXLWSA-N 488.344 5.160 50 1 JKGF COc1ccc2c(c1OC)[C@](c1ccc(Br)cc1)([C@@H](C)Br)N(C)[C@H](C)C2 962627031 KJLCTAWZUOPNGI-ZMOMAAQPSA-N 483.244 5.370 50 1 JKGF Fc1cccc(F)c1[C@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953921 KJRUKMFKTKSFMO-HXUWFJFHSA-N 476.283 5.274 50 1 JKGF Cc1cc([C@]2(CCCCCCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963188733 WHAVKTMFBLVRJN-UNMCSNQZSA-N 492.340 6.448 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CCC=C(C)CC[C@H]1OC1(C)C 2356387042 FLUNPFSKRUNRAS-OQGMSKNBSA-N 474.726 6.852 50 1 JKGF C=C(C(=O)C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Cl)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356406691 DHENOLVIJJTNHM-GTAIKNQQSA-N 479.101 6.096 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587674183 UHCSFGQAVRSFAB-IVZQSRNASA-N 483.263 6.494 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2N)N1 587675660 AOEHNKHIQNEJST-MLCYQJTMSA-N 476.615 5.340 50 1 JKGF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587783854 BAPZSKUJLXIPNW-CHWSQXEVSA-N 497.283 6.926 50 1 JKGF Cc1c(C(=O)N/N=C/c2ccc(O)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1 653740713 PIVCNUADWHAWMK-XODNFHPESA-N 499.785 6.277 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629129 IWXDWLFSSHJDFU-NEEKEDPPSA-N 479.023 6.104 50 1 JKGF COc1cc2c(cc1OC)[C@](CCCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@@H](C)C2 962638675 XGAYTNCGRSVWTR-XDHUDOTRSA-N 469.975 6.642 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@@H](C)Br 963016894 CSNTUUKTNRDXIB-IVZQSRNASA-N 450.442 5.489 50 1 JKGF CC(=O)N=C1C=CC(=CC=C2Sc3ccccc3N2CCCCI)C=C1 1857623064 HUIXVZTYGFKDJT-UHFFFAOYSA-N 476.383 5.695 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c(C(C)C)cc(/C=C/C(=O)c3cccs3)cc21 1857629479 ZLYDNSQUVCLQRU-GHUXWVSLSA-N 479.605 6.776 50 1 JKGF CC[C@@H]1Oc2oc(cc(=O)c2Br)CCC#CCC=CCC=CC[C@@H]1Br 2356736838 TXUVKVIZMJASCN-WMZOPIPTSA-N 470.201 5.556 50 1 JKGF CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 5945446 QASMAWBJQKNMRM-SANMLTNESA-N 493.394 5.065 50 3 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 44221147 QGJLGIKHILXLAN-WTDHIVRQSA-N 492.700 7.299 50 1 JKGF CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372348 ULZLQAWMWUNYHY-FFKWLCHASA-N 464.687 7.466 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325238 CZMBPELVGGSPRP-BWKNWUBXSA-N 471.912 5.146 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674738 ZUSLSSIJCQDSAJ-YBTHPKLGSA-N 466.192 5.551 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 587686971 FAHNXJQBVSKIJW-YBTHPKLGSA-N 452.755 5.000 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 587737334 XCLRGCVDBHYGDK-LFPIHBKWSA-N 493.823 6.211 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587961651 MSHHQVOUGFRPPP-UHFFFAOYSA-N 489.307 8.241 50 1 JKGF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356645521 TZWRPXXRQJDCPG-UBEWMSRCSA-N 488.917 9.964 50 1 JKGF CC1=C2C[C@](C)(CO[C@@H]3OC(=O)[C@]45C[C@@H]6CC(C)(C)CC6=C(C=O)[C@]34C5)C[C@@H]2C[C@@]2(C)CC[C@@]12O 2356722527 JVSGWCCMXPFMRE-PDSYAKERSA-N 480.645 5.266 50 1 JKGF C=CC(=C)CC[C@H]1[C@@]2(C)CCC[C@@](C)(C(=O)OC(=O)C=Cc3ccc(O)cc3)[C@H]2CC[C@@]1(C)O 2356780399 VHWCBTIGFYIWEG-CMRSFAICSA-N 466.618 5.971 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)COc2ccccc2)c1NC1CCCCC1 13491849 MBFLNNJLGAYLME-KRWDZBQOSA-N 456.974 5.039 50 1 JKGF C/C(=N/NC(=O)Nc1nc(-c2ccc(F)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)cc1 49808342 GLJVYFNXPYLXKA-LJUMEUDFSA-N 484.491 5.712 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3c(S)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056931 PYADITJGEOHJNR-KPKJPENVSA-N 473.414 5.709 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 587338575 XNSXZNOBJAEHOL-GCJKJVERSA-N 469.698 6.470 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1scc(Br)c1Br)[C@@H](C2)C3=O 587450512 HFJGBGLSMXBSHU-FVMDXXJSSA-N 478.589 5.163 50 1 JKGF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)CC2=O 587486887 LZYOXFLOJACCRS-SSEXGKCCSA-N 494.571 6.426 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538529 PKALIIGIGSBLTI-RCZVLFRGSA-N 483.358 5.823 50 1 JKGF Nc1cc(Br)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCl 587625876 OBUWWYKGXJREFX-UHFFFAOYSA-N 471.626 6.956 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672340 ZZBJCCPYULDDJX-HTGLOVNISA-N 487.207 5.167 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 587711307 JURDEGWYLREMII-BBATYDOGSA-N 459.306 5.599 50 1 JKGF COc1ccc2c(c1)[C@@](CBr)(c1sc3ccc(Cl)cc3c1C)N(C(C)C)CC2 962091393 NPVWYVYBVHZALV-QHCPKHFHSA-N 478.883 6.777 50 1 JKGF Cn1c(O)cc2cc([C@@]3(CBr)c4ccccc4CCN3[C@@H](C#N)c3ccccc3)ccc21 963201181 FZTDRTSUBDHUNC-BDYUSTAISA-N 486.413 5.645 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(N3C[C@H]4CCC[C@H]4C3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772656344 UVNLDLCBDFRUCP-JRLRZGBRSA-N 471.527 5.002 50 1 JKGF CCCCCCC(C)(C)c1cc(OCCCBr)c2c(c1)OC(C)(C)c1cn(CC)nc1-2 1857541157 KEXIMQDRLNKFBB-UHFFFAOYSA-N 491.514 7.609 50 1 JKGF O=C(N/N=C/c1ccc(Br)cc1)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857764274 ATAGEHDESDMYIG-DHRITJCHSA-N 450.296 5.225 50 1 JKGF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356599727 KBSDBYDTKXUZDW-LLFOSLHVSA-N 493.614 8.686 50 1 JKGF CCCCCCCCC(=O)CCSSCCC(=O)C[C@H](CCCCCC)SO 2356801224 QNDONVAVJCBHCY-QFIPXVFZSA-N 450.776 7.972 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](Cl)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13558237 NEVYPTQNRNGLGC-SPSOOXAJSA-N 489.184 8.569 50 1 JKGF C[C@H](C/C=C/C(C)(C)OO)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 66259024 KXEPOJYGPBBQJS-LKJGIETFSA-N 472.710 6.982 50 1 JKGF C[C@@H](CO)[C@H](/C=C/c1ccccc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195462495 BQLJEEPAHGULKU-GDTQZITHSA-N 458.718 5.911 50 1 JKGF CC(C)CCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586974150 RLAOCBMWOJBDKB-AWEZNQCLSA-N 480.244 6.797 50 1 JKGF Nc1cc(Br)ccc1[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320242 FBLADRYKYYOYJQ-GGAORHGYSA-N 490.756 5.759 50 1 JKGF CC(C)(Br)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324186 XAAHWQFZXRUGSP-APWZRJJASA-N 472.148 5.197 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@H](Br)CC)CC2=O 587454382 XAYVZDWGFDFGEP-FYYLOGMGSA-N 460.368 5.337 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 587457940 DRLISHBMMASJCM-JMGYQRAPSA-N 489.955 5.364 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1C(F)(F)F)CC2=O 587461867 NRSXVSQRSCZVTO-IBGZPJMESA-N 461.249 5.758 50 1 JKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496883 ANUVMFOSDJPQIZ-UGKGYDQZSA-N 463.755 5.318 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587689209 QVLMXSINZFJIMX-SRGWNRLKSA-N 466.866 7.116 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587721871 QWXWRWLDHLLQNW-QGHHPUGFSA-N 497.124 5.660 50 1 JKGF N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)[C@]1(CCC2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188273 AJMYZDWUSLYSNX-JLDIWXBFSA-N 484.603 5.951 50 1 JKGF COc1c(C)cc([C@@]2(CBr)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1C 963188468 ASTWFMUYSKNTAO-VPUSJEBWSA-N 475.430 6.074 50 1 JKGF CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CBr)COP(=O)(O)O 1911578697 AZCOZRXHSQHIAE-JTHGQSKGSA-N 471.369 5.660 50 1 JKGF CCO/C=N/C1=C(C#N)[C@H](c2ccc(Br)cc2)c2ccc(N(CC)CC)cc2O1 66074265 NQJLAHXJHKNLFM-QVGKIPNLSA-N 454.368 5.620 50 1 JKGF CCC(=O)N[C@H](C[C@@H](C)C(Cl)Cl)C(=O)N(C)[C@H](C[C@@H](C)C(Cl)Cl)c1nccs1 238777360 DSLOXTJYWDCVTO-FDYHWXHSSA-N 491.312 5.197 50 1 JKGF COc1cc(N)c(I)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587178796 LGYPRTNDGHKYOU-UHFFFAOYSA-N 491.223 6.083 50 1 JKGF COc1ccc(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587322795 OUGUAPVVDROECK-VWNXMTODSA-N 487.321 5.198 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 587324139 WICWHEZZPZUBLG-AZGAKELHSA-N 477.329 6.334 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587330038 ZYFZUERKYDKQNU-AHKZPQOWSA-N 479.935 6.084 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587416564 BCJIKQNHASINOH-NVQXNPDNSA-N 470.396 5.891 50 1 JKGF O=C1C[C@@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 587500197 SEDQXRROGCECKC-CLJLJLNGSA-N 481.817 7.216 50 1 JKGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCCCl)(c2cccc(C(F)(F)F)c2)N1 962630170 JOLUYQKOMVHLDN-PKOBYXMFSA-N 481.820 5.466 50 1 JKGF Cc1cc([C@@]2(CCl)NCCc3cccc(-c4ccccc4)c32)c(C)n1-c1ccc(F)c(Cl)c1 962662610 LJSIBEPDYIMVBU-MUUNZHRXSA-N 479.426 7.182 50 1 JKGF COc1cc2nc(Nc3ccc(C#N)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857551514 JZWWKCUXZXWRSL-AATRIKPKSA-N 476.540 6.160 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40395719 URDLCVRXQXLMDY-FCSFWHPOSA-N 493.142 5.537 50 1 JKGF CC(C)C1=C[C@H]2OC3(CCC(NCCNc4ccnc5cc(Cl)ccc45)CC3)OO[C@@H]2CC1 49878055 VHOQQEYWTRNHBM-HAYDWXEYSA-N 472.029 5.620 50 1 JKGF O=C1C[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587149112 LUZJLXURBUZXDZ-NSHDSACASA-N 453.383 6.015 50 1 JKGF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587152023 WRKKYKJMBVHCAM-LJQANCHMSA-N 462.390 7.667 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C(C)(C)C)cc4)c1C)[C@@H](C2)C3=O 587417016 IHYMQPZCCWUCED-FIPFOOKPSA-N 464.005 6.282 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Cl)c1 587559399 XCCJCZBZIZNDAT-GHTZIAJQSA-N 463.686 5.437 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 587672630 GRGQWSUSGOQGQS-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587684899 MVBZXGSPZNYTGV-RZFZLAGVSA-N 470.769 5.698 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587715189 WXHUOGVLWZRCMF-HUTHGQBESA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2Cl)N1 587719577 LGEUWAFVYPCDTH-XYZCENFISA-N 465.563 5.553 50 1 JKGF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc(S(F)(F)(F)(F)F)c1 962624222 BGRCEIOXFCYSSS-XJKSGUPXSA-N 477.373 6.239 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]12c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 963282105 VHBKHIKGRKWQAV-DEOSSOPVSA-N 466.762 5.152 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(COC(C)=O)C(=O)CC[C@@]34C)[C@H]12 2356425773 RSWXPVPZBRSTKP-VJZCDIMNSA-N 496.732 6.955 50 1 JKGF CC1(C)COC2(CCC(N[C@H]3CC[C@@H](Nc4ccnc5cc(Cl)ccc45)CC3)CC2)OO1 164985540 TZTRMWSUUKFQAY-FOKVMHPMSA-N 460.018 5.597 50 1 JKGF in-vivo C=C(C)C(=O)CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 238787751 YAMAETJPGJWVHQ-XUHASYAQSA-N 495.399 5.261 50 1 JKGF CCOC(=O)NC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 253686205 OACREECPZNMZEK-UHFFFAOYSA-N 498.343 5.839 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587323826 UOPGJFRMNYVFEX-UNMCSNQZSA-N 461.714 5.834 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ncc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 587323940 UWGOYWIAXXKPFB-WIYYLYMNSA-N 497.147 5.835 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)F)c1 587552863 CGYDJIUXMCRXGP-PGRDOPGGSA-N 477.257 5.246 50 1 JKGF COc1ccc([C@@]2(CCCCCCCl)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1OC 962568930 LUHJADBVNDMXOJ-PPHZAIPVSA-N 476.057 6.030 50 1 JKGF COc1cccc2cc3c(nc12)[C@](CBr)(c1c(F)cc(Br)cc1F)NCC3 963029516 DFEXNVJPRSTMBH-FQEVSTJZSA-N 498.165 5.068 50 1 JKGF ClCCN(CCCl)c1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 1857546969 MNCKOSCVLWDSTO-ZMOGYAJESA-N 498.277 6.303 50 1 JKGF CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(CC=CC(C)(C)OO)[C@@H](C=COC(=O)C=C(C)C)[C@@]32O1 2356625196 DIEFFKCJCDUOGU-FPTDWKCBSA-N 462.583 5.097 50 1 JKGF CC1(C)[C@H](CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(C=O)=CC[C@@H]2[C@@H]1CC[C@@]2(C)O 40587696 BDNMFPOVAWCGRX-IIOBYYNUSA-N 490.725 5.201 50 1 JKGF CCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)OCCBr)cc1 43411748 YEGVXNQHYCPKTH-DYTRJAOYSA-N 495.542 8.498 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3cccc(C(F)(F)F)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106631 CBTWKNIIXIXHAI-PTBRYTJWSA-N 484.511 5.503 50 1 JKGF CC(C)[C@H]1C(=O)N[C@H](CO)Cc2c[nH]c3c(CCCCO[Si](C)(C)C(C)(C)C)ccc(c23)N1C 195161512 YOEOCEPUKGKVEH-OFVILXPXSA-N 487.761 5.006 50 1 JKGF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586935861 JFFMDKLYKUOISS-HNNXBMFYSA-N 487.541 5.993 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539670 XGHKHUCIUGLIBS-QPPBQGQZSA-N 469.331 5.431 50 1 JKGF FC(F)(F)C(F)(F)[C@@]1(CBr)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648782 YIAQWGMCEMUZJP-IEBWSBKVSA-N 475.299 5.221 50 1 JKGF C[C@@]1([C@H](Cl)c2ccccc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963411472 AJVMAXSPDANJSB-QHWMMSMNSA-N 458.945 5.515 50 1 JKGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(Cl)cc1Cl 1857607400 HLULTZRXKIQNBX-KBPBESRZSA-N 476.172 5.484 50 1 JKGF COc1ccc(-c2cc(C(=O)N/N=C\c3ccc(F)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 28641299 VMFHWRZEMAJLKN-LQNQUEJISA-N 479.515 5.308 50 1 JKGF CC(=O)O[C@H]1C[C@H](Br)C(C)(C)O[C@@]1(C)[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 49793388 PVGGMHHFCWKSQT-JQBKIFNJSA-N 474.661 5.200 50 1 JKGF CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 95808516 LVFOQLFPAGEHFE-OVVQPSECSA-N 482.581 5.169 50 1 JKGF CCCCCCCCOc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br 587087303 OEQLHNRAXAXISV-KRWDZBQOSA-N 478.244 7.249 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)s2)N1 587847937 MXWBZJPVARTGON-QGHHPUGFSA-N 481.656 6.209 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C(/C#N)c2ccc(Br)cc2)cc1 587906184 UDMUDEAOOOTDGM-VHXPQNKSSA-N 473.757 6.469 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 962375323 RZEBJWNPICZDHB-SANMLTNESA-N 478.017 6.203 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 1857650497 UGFIPIXTQKVDIU-UHFFFAOYSA-N 485.890 5.162 50 1 JKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@@H](Br)C(C)(C)O 2356332897 LGDQHJXARMHVRI-NLPMXTIOSA-N 466.298 5.754 50 1 JKGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr 2356592846 MLLBLQBCKASCLO-JZQPTAQHSA-N 462.266 5.120 50 1 JKGF Cc1c(Br)cc2c(c1Br)O[C@]1(CBr)[C@H](C)CC[C@]21C 2356787722 BPZFKJQFSJAGFX-KBOAJJQZSA-N 453.012 5.734 50 1 JKGF CC[C@H](C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675575 UTISTWYMOBJQNI-YADARESESA-N 477.008 6.021 50 1 JKGF CCCCCCCCCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 44031600 VTGIRCOZXQCYQR-LJAQVGFWSA-N 475.677 7.270 50 1 JKGF CC(C)(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 103278974 RDTKIZBTAUABQW-BYPYZUCNSA-N 496.193 5.211 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NN)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 254124732 LCWLIURWPQHNSO-HHOBFWKRSA-N 468.726 6.203 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 586985288 FJLIMGGKCJOGOR-WBMJQRKESA-N 495.373 5.427 50 1 JKGF O=C(CCl)Nc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 586985398 GOYWHSBDCRKGML-UHFFFAOYSA-N 454.869 5.742 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](Br)C1 587101663 IXKNBCZRNNVIIJ-FZKQIMNGSA-N 479.374 5.722 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)O2 587383546 YGRWRMBKBCCXRJ-QGZVFWFLSA-N 450.201 5.130 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@@H](C)Cl)CC2=O 587459244 NNQWJUQRYLWWGL-CSTKLKAISA-N 451.346 5.365 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497167 KXCAEEFIQYGLCV-JGCGQSQUSA-N 493.002 7.520 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 587670979 NBUMOSZLRYMNAK-SQHYZVFZSA-N 467.220 5.638 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587682054 BDVBIQOHFNXBTB-MLCYQJTMSA-N 451.594 6.302 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682647 DENRZXAHAWLLMK-IQMFZBJNSA-N 450.823 6.653 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(Cl)c(Cl)c1Cl)N(C)[C@H](C)C2 962574304 UGWOCHFMBZPTMX-BIBXISHDSA-N 493.656 6.179 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(Cl)c(Cl)c1Cl)N(C)[C@@H](C)C2 962574328 UGWOCHFMBZPTMX-PRWKNARSSA-N 493.656 6.179 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 963270593 PXBJCFYQZDLHSW-DEOSSOPVSA-N 483.247 6.147 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(C(F)(F)F)cc3)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38152985 LIRMRMPTCHYOPM-DMPQSKKBSA-N 456.501 5.209 50 1 JKGF N#CSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccc(Br)cc2)O1 49111183 VAARSVSQTNZNIE-QORCZRPOSA-N 480.427 6.165 50 1 JKGF CSc1cccc(NC(=O)CC[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c1 82155891 JKJADITVFSHYMX-RMNSZJJASA-N 461.624 5.378 50 1 JKGF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 168993888 SAHIKVQGOJYFEX-SRLAVATGSA-N 470.738 7.353 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299814951 NLJZUEBZNDLTIT-OBJCRARUSA-N 496.732 7.438 50 1 JKGF CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587327039 OEBZWXHOIYTHIQ-XNMGPUDCSA-N 479.935 5.324 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)CCCl)CC2=O 587461896 UXDXHHUNNJYBTJ-MHZLTWQESA-N 463.961 5.821 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2coc3ccccc23)N1 587672705 HFPVDZZKPXHIFU-JEOXALJRSA-N 453.149 5.507 50 1 JKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962762008 IQQNPAVUFSPBRD-BXWFABGCSA-N 478.711 5.346 50 1 JKGF Fc1cccc2c1[C@@](CCCCCCCl)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1C2 963102596 NBFVHPCGCLTIAR-ZJSXRUAMSA-N 453.951 7.298 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(c1ccc(F)cc1F)[C@H](C)Cl 963833278 UCABYFODHQTNJZ-AKQVGLANSA-N 479.951 5.781 50 1 JKGF C/C1=C/C[C@@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O 14612383 JBVAFOMCWIFYSA-RVHWPYDUSA-N 479.400 5.619 50 1 JKGF in-vitro C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(OC)cc1)OO2 64447048 VSVDPGNMLOJDQJ-ZWKHSQGSSA-N 469.581 6.583 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1OC 103697093 AQHAYADGERZEHP-RUZDIDTESA-N 488.609 6.225 50 1 JKGF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)c1 587231509 BITXDJYJDSLQKA-UHFFFAOYSA-N 467.463 6.838 50 1 JKGF N#CSC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370941 YZIIJRZAZJPUBM-XNMGPUDCSA-N 455.510 6.153 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@H](C)c3ccccc3)c1C)CC2=O 587458803 FPKVQYKVDOFQED-DNOBIOAJSA-N 451.994 6.472 50 1 JKGF C[C@@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496349 CMEGGSWGYXRGLO-BCOMRZATSA-N 485.967 5.585 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1C(F)(F)F 587550100 STKHAIZWYADVCD-NQIIRXRSSA-N 497.238 5.802 50 1 JKGF CC(C)c1ccc(/C=C(/C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 587884130 GMOYRJBZZMUXJF-QQXSKIMKSA-N 487.430 6.891 50 1 JKGF COc1cc2c(cc1OC)[C@](CCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@@H](C)C2 962564658 HFUDFFZLMVVBDF-HJPURHCSSA-N 471.947 6.132 50 1 JKGF C/C(=N\NC(=O)Nc1ccc(Cl)cc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 96169115 UWYUXKLLFQLEBF-IBBHUPRXSA-N 487.926 5.207 50 1 JKGF C=C(c1ccccc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 169358792 UHRJFSUAULCNDP-BIVZODOQSA-N 478.673 6.991 50 1 JKGF C[C@]12CC[C@@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CBr 253780968 NJULPAVJMURXJB-XHQVLKOVSA-N 488.260 5.198 50 1 JKGF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F 587149804 BGIBXZZYVISFKR-VHSXEESVSA-N 475.227 7.532 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)CC2=O 587456617 SGGGYAHGMYPQRD-QUGAMOGWSA-N 481.386 6.781 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)CC2=O 587467051 PSTWVFSMLZSQBK-FPOVZHCZSA-N 455.751 5.867 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587685216 OLNQZSAEOJCXAB-VERVWZFWSA-N 463.778 5.211 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 587689168 QLMCXNFZCDEVIH-PRWKNARSSA-N 452.755 5.000 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C 587689266 RIUSBLNGMKEGOY-XFNZEKPQSA-N 483.809 5.145 50 1 JKGF O=C(CCl)Nc1cccc(Cn2nc(-c3ccc(Oc4ccccc4)cc3)cc2C(=O)O)c1 1857571541 ALGQHGSYUVQUDQ-UHFFFAOYSA-N 461.905 5.266 50 1 JKGF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356574500 BRCSFJAWHNPAMY-DEYHBHQDSA-N 465.118 6.002 50 1 JKGF C=C(C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CC=CC(C)(C)OO)[C@]3(C)CC[C@]23C[C@@]13CCC(=O)O 2356663471 HPUXNUNPWDBEKO-RYHOGZSPSA-N 472.710 7.897 50 1 JKGF C=C(Cl)[C@](Br)(CBr)CC[C@H](Br)C(C)(C)Br 1639186 NPRTWFMPAGYFEZ-WCBMZHEXSA-N 490.299 5.985 50 1 JKGF C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CCCC[C@H]1Cl)C(=O)NCCc1ccccc1 27631871 STDXKINLJZQPOB-RWCIVJTCSA-N 482.024 5.104 50 1 JKGF Cc1ccc2c(COc3ccc([C@H]4[C@@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)cc(=O)oc2c1 45299863 FQIRNWLBTUZKIT-RPBOFIJWSA-N 480.347 6.029 50 1 JKGF CCCCCCCC/C=C/CCCC/C=C/N(NC(=O)COC)C(=O)CCCCCCCCC 209419265 CLBJKVAZUKTENE-PWGHASNQSA-N 478.762 8.014 50 1 JKGF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255280290 XEWVATFZTBNDCF-ACDOXBLXSA-N 486.901 9.884 50 1 JKGF O=C(Nc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1)c1ccc(F)cc1 587164122 WSLNYRDNGMUWGO-UHFFFAOYSA-N 457.399 7.279 50 1 JKGF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587266981 RBKHBMOZYOJPLI-GLEZIHRCSA-N 483.375 5.571 50 1 JKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587322939 PQXHKSJZTJVZDO-WIOPSUGQSA-N 481.317 6.235 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cccc1Cl 587539929 YTWHANQJVMPPEX-GHTZIAJQSA-N 480.141 5.951 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587684036 JQZLMYCWDIXAHV-AKJBCIBTSA-N 497.839 6.764 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587686484 CWMCSHBTKGRIIM-WNWIJWBNSA-N 472.012 6.477 50 1 JKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(CBr)c1csc2ccccc12 962693230 ARPLWTUJOYKCLN-QRQCRPRQSA-N 462.453 6.043 50 1 JKGF Oc1cc2cc([C@]3(CCl)NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)ccc2[nH]1 962949487 FTGXTWAYBPYDCH-QFIPXVFZSA-N 450.888 5.026 50 1 JKGF Fc1cccc2c1[C@@H](c1ccc(Br)c(F)c1CBr)N1CCC[C@@H]1C2 963101622 LKXQYIFWUXJOEQ-CWTRNNRKSA-N 457.156 5.732 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2Cl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963208357 STNNVJKMXSKIFO-MUEKUWCCSA-N 465.822 6.490 50 1 JKGF C[C@@](O)(CSc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857565655 GBWMSOICYZJAPQ-MRXNPFEDSA-N 497.429 6.724 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356404991 CUWJDZXEDIUEEW-BSLQLIBWSA-N 486.737 6.325 50 1 JKGF N#C[C@H](O)CCCCCCCCCCCCCCCC=CCCCCCc1ccc(C=O)[nH]1 2356479026 AQTNXUZBBPTYCC-GDLZYMKVSA-N 456.715 8.222 50 1 JKGF Cc1cc(C)c2c(NC(=O)CCl)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)sc2n1 587208771 ZKMJPCQDDKQTIS-UHFFFAOYSA-N 483.980 6.517 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccn2)s1 587612248 IZRDLKPIOFIEKP-URXFXBBRSA-N 494.366 5.768 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587670957 MYSDALQEKMJDEU-ZKTNFTSUSA-N 457.181 5.158 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCCBr)N1 587674569 XOVTZCLMGFCPAI-BLVKFPJESA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2C(F)(F)F)N1 587712871 RECUJLDSQPHUDF-BTDLBPIBSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2sccc2Br)N1 587844370 NLXKXJKTIMJBQO-ABKXIKBNSA-N 476.234 5.404 50 1 JKGF Fc1cc(CBr)cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962634390 HLXLOGJQFCBEEE-ILBGXUMGSA-N 451.383 5.557 50 1 JKGF CCOC(=O)c1ccccc1[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1 963002286 ZBSNKZUOFOMYCT-QHCPKHFHSA-N 471.420 5.017 50 1 JKGF C=CCn1c(-c2ccccc2)c([C@]2(CCl)NCCc3cnc4c(OC)cccc4c32)c2ccccc21 963059715 UAHFLJCOOGBECC-WJOKGBTCSA-N 494.038 6.679 50 1 JKGF O=C(O)[C@@H]1Cc2occc2[C@@]2(CCC[C@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963187231 CHVZDHBPDJEYTF-CAKYRVLISA-N 477.944 5.527 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@@H]1CC[C@H]([C@@]23C=C[C@@]4(C[C@H](O)CC[C@@]4(C)C2=O)OO3)[C@@]1(C)CCO 2356800326 PYCSWFKPEPDESO-GVXLKIEOSA-N 488.709 5.485 50 1 JKGF O=[P@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@H](C(Cl)(Cl)Cl)O1 1855895 CNHAOASKKIUHJG-QVQLBTGDSA-N 461.924 6.048 50 1 JKGF COc1ccc(-c2nc(C(=O)N/N=C/c3ccccc3Cl)cc3c2[nH]c2ccccc23)cc1 73162985 AADJDOFHACFXIH-RWPZCVJISA-N 454.917 5.809 50 1 JKGF Cn1ccc(=Nc2ccc(Oc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 377406474 HNLFNGQEMHFSLC-UHFFFAOYSA-N 466.412 6.487 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328434 UKTFCJGQHYTYRI-TYBLODHISA-N 475.944 5.267 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(C(F)(F)F)c(NC(=O)CCl)c2)cc1 587914009 SNVPQIZCUYCBKZ-UHFFFAOYSA-N 494.296 6.737 50 1 JKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1CCCCO[Si](C)(C)C(C)(C)C 963141854 JURGCBVXRAHFCZ-SJORKVTESA-N 470.708 5.623 50 1 JKGF C[C@](O)(CSc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857553259 AYZMSZXCPANJNF-INIZCTEOSA-N 497.429 6.724 50 1 JKGF CS(=O)(=O)/C(C#N)=C/c1cc(Cc2ccc(Cl)c(Cl)c2)ccc1OC(F)(F)F 1857578601 YWASJEYFQBCYPY-NTEUORMPSA-N 450.265 5.392 50 1 JKGF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(CNC(=S)CCCC[C@@H]2CCSS2)c1-3 72178099 UQEISUKMQDWLIR-NOZRDPDXSA-N 496.811 7.350 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CC3c4ccccc4-c4ccccc43)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101138869 JABVXDMIFYKQHA-QYVGOBIESA-N 490.596 5.940 50 1 JKGF COC(C)(C)[C@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586971170 NYNSBLGIOOHNBU-QGZVFWFLSA-N 468.189 5.765 50 1 JKGF Fc1ccc2c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)coc2c1 587173822 AYYBWLQEEZHWDU-UHFFFAOYSA-N 457.193 7.535 50 1 JKGF COc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(I)c1 587179833 HEGAVBNOZOKILE-UHFFFAOYSA-N 476.208 6.501 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2coc3ccccc23)[C@H]1c1ccc(F)cc1 587321557 KCXZYOCFHAXXLZ-LADGPHEKSA-N 467.290 5.927 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(F)cc3)c1C)CC2=O 587469390 ZDTLTWYFQLZSGM-HHHXNRCGSA-N 469.984 6.244 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587539701 XOKPDLWGTZFCLE-DRPSWDKDSA-N 485.330 5.050 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552657 BOLOVBSVVGREGU-TXTKFYIRSA-N 491.740 5.911 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)cc2)N1 587680101 NYIVBHLVQSJCBJ-BUXKBTBVSA-N 475.627 6.148 50 1 JKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356649373 KCFVOYBKZOJAGM-SIHPENTDSA-N 457.709 5.076 50 1 JKGF C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCCC)CC1)c1ccccc1 8019419 HJSFQHMFPLOJEU-NAYUSWPISA-N 483.636 7.584 50 1 JKGF aggregator O=C(OCC1CC1)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675587 RSFJTXQCOHGQNZ-XMMPIXPASA-N 474.992 5.633 50 1 JKGF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586949438 WLDDELWOFSVTAB-UHFFFAOYSA-N 489.491 6.997 50 1 JKGF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1 587019455 NRNYHSUOTKQAIL-UHFFFAOYSA-N 475.468 6.912 50 1 JKGF COC(=O)c1cccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587054677 HRFYULIYRKPFQF-WJDWOHSUSA-N 465.340 6.128 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)cc1 587322463 MNPOWEVERPCJRI-DENIHFKCSA-N 496.159 6.487 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587686502 VLZDPGFNABZDPH-FPSMJMQUSA-N 477.846 5.496 50 1 JKGF CSc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O 587845082 MTKHIFDADPPZHX-BIBXISHDSA-N 471.823 5.285 50 1 JKGF C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCCl 1857555226 MLGWYENUTJPYQJ-UHFFFAOYSA-N 490.995 5.187 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 2356860123 UCAWHZRGCBFVGU-PQPYLQGASA-N 470.694 7.334 50 1 JKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1C 20677728 ZCWDGVDSQMTKTF-DEDYPNTBSA-N 454.621 5.098 50 1 JKGF CCC/C=C(\CCC)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 49881887 YUEZTTHPMSNKBV-OPZNAFLFSA-N 493.631 8.440 50 1 JKGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 136404597 PHNWCGZUYJUNDS-IUKJFTNHSA-N 456.646 5.599 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3c(CC)cccc13)([C@@H](Cl)c1ccccc1)CC2=O 587458817 LJHLEJDDQGHLDN-URLMMPGGSA-N 474.000 7.229 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Br)ccc1F)CC2=O 587467870 TWLJOCBXHYDISF-IBGZPJMESA-N 472.148 5.502 50 1 JKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587544710 OVQLMHLUTXWWHR-LEAFIULHSA-N 489.955 5.904 50 1 JKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568446 LWPGGHSLOXCQHI-YCRNBWNJSA-N 491.740 5.911 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 587733794 LYTRVINWPWIGEL-SHACYNPGSA-N 493.823 6.211 50 1 JKGF Cc1ccc([C@@]2(CCCCCCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1F 962663458 JWEUYBXJGZNIJZ-RRPNLBNLSA-N 469.000 5.824 50 1 JKGF CS/C(Nc1ccccc1Cl)=C(\C#N)[C@@]1(C(C)(C)C)c2ccsc2CCN1Cc1ccco1 962703558 CJFTUKBITLQGKU-NODBZWTFSA-N 498.117 7.504 50 1 JKGF Fc1cc(Br)cc([C@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)c1 963102641 FXRTXZUOKUBVLW-INIZCTEOSA-N 467.991 5.679 50 1 JKGF Cc1ccc(-c2cc(C(F)(F)F)cc([C@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)cn1 1772627445 OZAMROULMZIAJK-HSZRJFAPSA-N 453.468 5.136 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(NC[C@H]2CCCO2)nc(Nc2ccc(C#N)cc2)n1 1857755988 GNUUDTQLQOUKSN-UUCGHWEQSA-N 466.545 5.629 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100783596 CASWDFLWXWLZCX-QGHPIZDLSA-N 480.985 5.471 50 1 JKGF C[C@]12CC[C@@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 169714130 UHDIBEGNYLWRAG-WOCKNQBSSA-N 483.656 6.129 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055217 LBBAXRKNFBNSFO-AUWJEWJLSA-N 493.291 7.499 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587319422 BENJVBNDVMAFKT-BEYHJKFUSA-N 489.768 6.531 50 1 JKGF N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370463 XBRDDVMBDLUJAJ-FYYLOGMGSA-N 474.340 6.307 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 587529681 AZMBWFIVUQVNGZ-GOSISDBHSA-N 456.199 5.645 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587678409 CACKCUYXVNTDIJ-MCFWBGNESA-N 484.752 5.338 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587682801 DJXQWMVBFBSORZ-MCMMXHMISA-N 467.810 5.589 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C 587689261 RIUSBLNGMKEGOY-KPWVOAKYSA-N 483.809 5.145 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](Br)c2ccccc2F)N1 587727843 PMGKNISMFUUZPM-WWGWPZPMSA-N 471.183 6.003 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C(\C#N)c2ccc(Br)cc2)cc1 587906185 UDMUDEAOOOTDGM-WCWDXBQESA-N 473.757 6.469 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CCCCCl)c1cccc(OC(F)(F)F)c1 963280797 PBLUPXHWCIRLKB-FQEVSTJZSA-N 476.764 6.488 50 1 JKGF C[C@@](O)(COc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857613182 UWDBVOSYLBMHPS-QGZVFWFLSA-N 490.372 6.003 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356445735 MBNLFFHRULJOPH-MBTOSLSFSA-N 486.737 6.325 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356586428 ZLFOHASQVSADOU-RRWZXMNXSA-N 495.443 6.391 50 1 JKGF CC(C)=CCC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@]3(C)CCC(=O)C(C)(C)[C@]34C=C[C@]12OO4 2356866357 WFBQHPZHJVDGRG-VFWGQBQXSA-N 498.660 5.562 50 1 JKGF Cc1c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)oc2ccc(Br)cc12 101739145 IQSBQFIUCFCSKG-VKAVYKQESA-N 452.264 5.030 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Cl)C[C@@]43C)[C@@H]1CCC2=O 169302505 UNMQXMIMWRFADJ-NMGWPLJBSA-N 458.986 6.159 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 587084598 DBDIPXCIMQHBTC-UHFFFAOYSA-N 484.675 7.851 50 1 JKGF FC(F)(F)c1ccccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587107154 PEJPNJFIOPTFQM-UHFFFAOYSA-N 481.206 7.592 50 1 JKGF O=C(Cl)CCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 587272687 AEBBJTIATZFZIQ-UHFFFAOYSA-N 458.780 5.932 50 1 JKGF CC(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320208 FAVLGXUITQFEFO-NOZRDPDXSA-N 469.350 6.304 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587323471 KJNJVIPLXFAQKS-RBBKRZOGSA-N 461.714 5.787 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)c(N)c(Cl)c1)CC2=O 587456558 QYFKDFZOOSSBKI-IBGZPJMESA-N 459.167 5.489 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)CC2=O 587457350 XVDHAQMXRZWVED-ZLOXQWCVSA-N 458.352 5.186 50 1 JKGF O=C1C[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 587500200 SEDQXRROGCECKC-UIOOFZCWSA-N 481.817 7.216 50 1 JKGF COc1ccc2cc([C@@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587673237 LPWGJUWOJZXDID-WHEQGISXSA-N 493.214 5.923 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 587674271 VRIYWXFIGIDGEP-CMJOXMDJSA-N 489.226 6.309 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587686620 WBHFVYNFSORQRM-PEBXRYMYSA-N 460.778 5.473 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C 587688609 MNHRKVFXAUUBPT-AMXDTQDGSA-N 485.825 5.391 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962722045 YBOSLQCVCNWOJY-RNODOKPDSA-N 469.516 6.945 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc(Br)ccc1OCC[C@H]2Br 962955211 XSJTZQLLYGCLDN-JEWAVWJGSA-N 490.239 5.644 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc(Br)ccc1OCC[C@H]2Br 962955236 XSJTZQLLYGCLDN-ZFGLAFRWSA-N 490.239 5.644 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356586429 ZLFOHASQVSADOU-WGURPXDASA-N 495.443 6.391 50 1 JKGF S=C(SSC(=S)[C@@H]1CCC/C1=N\c1ccccc1)[C@@H]1CCC/C1=N\c1ccccc1 27195509 YVTGFADMGIFDFM-XPXDYEGESA-N 468.738 8.168 50 1 JKGF CCCCC1(CCCC)OOC(CCCC)(CCCC)OOC(CCCC)(CCCC)OO1 44431589 HVUVLULVCDLPPA-UHFFFAOYSA-N 474.723 9.075 50 1 JKGF CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 587332698 MEXJWRXEZWYGNF-VWNXMTODSA-N 457.860 5.122 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)O2 587383863 WWJDYWNCKQJCEZ-IBGZPJMESA-N 478.236 5.036 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)s1 587611092 FHYTXPURBUZYIO-QFBILLFUSA-N 496.176 5.468 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587669923 GZMUXNZXXJLFLG-HTGLOVNISA-N 487.207 5.167 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587670972 NBUMOSZLRYMNAK-BHVCSQLQSA-N 467.220 5.638 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl 587685075 NQCPFUOLRWNWIV-NSHDSACASA-N 492.087 6.040 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 587719702 QMMRVEPSYGBMFN-CQLKUDPESA-N 467.098 5.178 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)[C@H](C#N)c1ccccc1 963196832 RNYVTPHHJOGPKO-CYXNTTPDSA-N 456.387 5.707 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(-c3cccc(C(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772621224 RNZDFNVWBXUQEE-XMMPIXPASA-N 482.462 5.131 50 1 JKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2)nn1 1857633309 LDGTVMYPGJZJBD-OHMDJLBGSA-N 489.660 6.074 50 1 JKGF C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/C(C)=O)[C@H]1SSc1nc2ccccc2s1 29254751 VSLFDXLNYNEIFG-WPWKWIEESA-N 476.645 5.007 50 1 JKGF CCN(CC)Cc1ccc(CO[C@H]2O[C@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)cc1 43911263 BYGPDRBTIOZSOT-FCWMQBQOSA-N 459.627 5.253 50 1 JKGF C[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(C(F)(F)F)cc1 103041705 OIQGKZALYSLNLA-XOJKRJCDSA-N 456.501 5.991 50 1 JKGF Cc1cc(Cl)cc(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c1NC(=O)c1cccnc1Cl 103214873 POGPQJXTZAGWOD-NUJZUDFISA-N 483.399 6.011 50 1 JKGF CC[C@@H](/C=C\CCC1(C[C@@H](N)CCC=C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C 195466226 QPNVNZDCMTXOQM-FSCWYTIRSA-N 467.811 7.500 50 1 JKGF N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587154023 BPXQGTCWLGSXFL-HWPZZCPQSA-N 472.252 6.463 50 1 JKGF C[C@H](CSc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587170971 WMAFORDUUIODMN-SECBINFHSA-N 491.320 8.018 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324367 YBVATBIRHZBVFR-SONWIMMPSA-N 485.349 5.968 50 1 JKGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@@]2([C@@H]2c3ccccc3-c3nc4ccccc4nc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c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 45254447 XMIZKHFIRFAOMF-LQKURTRISA-N 478.512 5.121 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccccc3)ccc21 299865647 OBDAXNLIVHBMJT-JFLMPSFJSA-N 451.357 6.184 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)c(C)n1-c1cccc(Cl)c1Cl 587056302 OTQFQHZZKNMZHB-LICLKQGHSA-N 479.367 6.503 50 1 JKGF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587128832 RNJQXHQECDYEBZ-UHFFFAOYSA-N 453.408 7.948 50 1 JKGF O=C1[C@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl 1660612 MNJGKVUCKBAOIV-CABCVRRESA-N 490.999 6.653 50 1 JKGF O=C(NNc1nc(-c2ccccc2)nc2c1[C@@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 45260628 YCIPHLPRACLFSU-QFIPXVFZSA-N 476.540 5.309 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@]2(OO)C1 137775460 WBPQDZLDWHMOAG-MLTBFBPQSA-N 456.711 7.989 50 1 JKGF CC(=O)O[C@@H]1C(C=O)=CC[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 238743121 GMQPHYOAPGYWOA-HROXWWBPSA-N 458.639 5.654 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587041546 XHORBKOLFDFQNP-UHFFFAOYSA-N 469.504 8.066 50 1 JKGF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc1F 587147504 PGOFFLMOGLIPCH-UHFFFAOYSA-N 499.480 7.367 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321307 CVALEAZDLGEOIY-PWJBXEHMSA-N 475.741 6.176 50 1 JKGF CCOc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321651 KHFSXEDAOVREPE-LADGPHEKSA-N 471.322 5.579 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587671385 RLGWFEWAAJKPJG-DFFLPILJSA-N 483.263 6.348 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 587688313 LGDRPPABMHTICR-IZHWHUGBSA-N 475.833 6.071 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 587715261 XSIRXQUWPZQHOX-ADLMAVQZSA-N 459.306 5.599 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587718331 MZRRDJQTHJNHKC-MGNBDDOMSA-N 479.590 5.862 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2sccc2Br)N1 587845036 QGQHFYGPTIQHEB-GLEZIHRCSA-N 453.602 5.429 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@]1(C)[C@@H](C)CCC(=C(C)C=O)[C@H]1CCCO 2356476542 KWJCZFYAVGCCMW-JYADXHFPSA-N 458.727 7.737 50 1 JKGF CC[C@H](C)CCCCCCCCCCCCc1cc(OO[S@](=O)O)cc(OO[S@](=O)O)c1 2356865669 WCWKSWPMYTVNDP-IBGZPJMESA-N 494.672 6.461 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299856826 CGDYDLXCPVNCDF-CKDHYATFSA-N 481.445 6.646 50 1 JKGF Cc1cccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587322863 PJEVANAVOYDWEE-PPYUERFYSA-N 455.323 5.878 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2Cc3ccccc32)[C@H]1c1ccc(F)cc1 587323282 QOULYIVRLFWWNH-JCTONOIOSA-N 453.307 5.364 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 587326063 JKTHTGJYYYZWMK-RBBKRZOGSA-N 451.708 6.331 50 1 JKGF Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587338589 XOIDDKVOXLXESK-FYYLOGMGSA-N 459.286 5.628 50 1 JKGF O=C1C[C@](CBr)(c2ccccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 587505504 LLKCMWGMPCXUJY-FQEVSTJZSA-N 455.270 5.720 50 1 JKGF CCOc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671782 ATAADIJVNHEKQC-BLVKFPJESA-N 457.181 5.160 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CCCCCl)(c3ccnc(Cl)c3)N12 962657318 BJIWQOSSGFFUHL-DNQXCXABSA-N 458.389 5.035 50 1 JKGF COc1c(F)cccc1[C@@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955866 LSDVLAHGPOVZLK-OAQYLSRUSA-N 488.319 5.143 50 1 JKGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356653242 HOEKKUSLHOOASY-LRXQRXOASA-N 487.779 6.080 50 1 JKGF CCCC/C=N/NC(=O)c1sc(C(=O)N/N=C/CCCC)c(OCCC)c1OCCC 45289194 NXBDOJSEJJEJNC-RNIAWFEPSA-N 452.621 5.137 50 1 JKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 95557285 YKSBFBSHBBLBBW-NGYBGGCHSA-N 495.012 5.559 50 1 JKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 95592138 BABYRIMAYVTEOK-YYHRLCQSSA-N 489.700 7.120 50 1 JKGF CCCCCCCC[C@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103280989 YRBRRRYWFFTCHH-WMJZSHNHSA-N 456.896 7.395 50 1 JKGF COC(C)(C)[C@@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586971766 YOFNEDGNMFLECI-JTQLQIEISA-N 488.114 6.844 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325966 IQMPXTYJEHSLEZ-JLRUASKGSA-N 477.960 5.417 50 1 JKGF CSc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377151 QRPXLQZBZDLMMS-GGAORHGYSA-N 473.363 5.903 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-c3ccccn3)s1)CC2=O 587495231 PVABIIUNLVIDOT-QFIPXVFZSA-N 458.377 5.724 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 587674063 SKHGNARVIBGIIJ-AIYSXCBHSA-N 489.226 6.502 50 1 JKGF CC(C)c1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587689894 XRMKDOIRZDERMB-DQIAKBPPSA-N 466.866 7.240 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845112 MWZRPNQOGLYINZ-XTZNXHDOSA-N 460.199 5.887 50 1 JKGF COc1ccc2c(c1)[C@](CBr)(c1sc3ccc(Cl)cc3c1C)N(C(C)C)CC2 962091387 NPVWYVYBVHZALV-HSZRJFAPSA-N 478.883 6.777 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(N3CCC(F)(F)CC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772612827 HCRWSFWTSSLRDU-QFIPXVFZSA-N 481.469 5.001 50 1 JKGF C[C@@](O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857607859 OOWBGGPCZMRDRG-MRXNPFEDSA-N 481.361 6.011 50 1 JKGF CC1(C)CC[C@]2(C(N)=O)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 38145608 JPNPFOBFOUTUHR-PWUDJSAJSA-N 490.688 5.691 50 1 JKGF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(-c2noc(CCCC[C@@H]4CCSS4)n2)c1-3 72178101 IRSVAHXNDMRBLH-QPPBQGQZSA-N 491.726 7.135 50 1 JKGF CC(C)(/C=C/C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12)OO 255227876 LQPSEQWINGOYLK-GHCAVPIKSA-N 484.677 6.527 50 1 JKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc2c1 299855860 BSXUKZSPQFQYCN-RWPZCVJISA-N 482.613 5.517 50 1 JKGF CC[C@H](C)Sc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135406 HYGBJLNYUIUASU-YWZLYKJASA-N 472.445 7.094 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)O2 587373180 QFRXWNDRNYWFKS-VWLOTQADSA-N 457.401 5.991 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(SC)c4)c1C)[C@@H](C2)C3=O 587454287 XSSRITHJBKQHAZ-SQJMNOBHSA-N 453.991 5.706 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1csc2ccccc12 587619337 RWGDGGNJRJYXSH-NZQKXSOJSA-N 467.340 5.859 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 587687970 JFQUXYIKIHROAQ-LMKMVOKYSA-N 493.892 6.914 50 1 JKGF Cc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587852789 JATWQCDAHBDEHK-GIPWTMENSA-N 483.244 6.284 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1cc(F)cc(Br)c1F 963062462 DAITYEKMFVUOAA-FQEVSTJZSA-N 498.165 5.068 50 1 JKGF CCC(=O)Nc1ccc([C@]2(CCl)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)cc1 963305497 YDUXIRLNMYBYRA-HHHXNRCGSA-N 466.984 5.724 50 1 JKGF Cc1ccnc([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963833131 SFMMOUVOHDQXPH-RUZDIDTESA-N 462.391 5.235 50 1 JKGF CC(C)=CC[C@@]1(C)[C@H]2CC=C([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br 2356801861 QXAUXPFZNRBTMA-RZIGWGPESA-N 473.451 6.951 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(/C=N/NC(=O)c3cccc(OC)c3)c2c1 40422968 QMCCYCFXEYNPBU-RDRPBHBLSA-N 455.558 5.959 50 1 JKGF COC(=O)c1ccc(C23CC2([C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C3)cc1 64645630 NDNWTFXUTFHCEG-WHIWCKBPSA-N 493.543 5.765 50 1 JKGF C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCC/C=C/[C@@H]1C2 195517243 KXYJMXIMQSTFBJ-GDRPTDFVSA-N 486.773 6.245 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586892411 WZOSQRRJHDBKFY-ACJLOTCBSA-N 465.285 7.354 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587683404 GVSYYZNJDWGDGB-NIVTXAMTSA-N 471.153 5.710 50 1 JKGF FC(F)(F)Oc1cccc([C@@]2(CBr)c3ccsc3CCN2Cc2cccnc2)c1 963001397 BKCQMCDYXYPGFX-FQEVSTJZSA-N 483.353 5.739 50 1 JKGF Cc1ccnc2c1CCNC21[C@@H](Br)CCCCCCCCC[C@@H]1Br 963068090 JSPGJOHKAMPDIH-ROUUACIJSA-N 458.282 5.783 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CCCCCCCl)c1cccc(C(F)(F)F)c1 963290092 SVIIAFAMUBBTRL-QFIPXVFZSA-N 488.819 7.389 50 1 JKGF C=C[C@@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br 1635418 QTOSBTPZXCUHJE-SCZZXKLOSA-N 455.854 5.418 50 1 JKGF O=C(CBr)Nc1ccccc1CCCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 169346302 PXTFZEBGGJHVJY-GEWUYGHSSA-N 497.477 5.417 50 1 JKGF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 586883554 BZEUBPSZXZCJGR-GUBZILKMSA-N 457.262 6.622 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587001854 REUDWPIWWHQNBZ-RJRFIUFISA-N 483.256 6.924 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587332114 IYOQXXRNVVVFQX-GMAHTHKFSA-N 459.286 5.710 50 1 JKGF N#CSC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370937 YZIIJRZAZJPUBM-AHKZPQOWSA-N 455.510 6.153 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 587376942 ZCZHNOHSYFDOGQ-OFNKIYASSA-N 484.346 5.790 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)CC2=O 587449952 CPKIETXKCWUPSK-ZJSXRUAMSA-N 474.395 5.583 50 1 JKGF N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609387 VHNHVMJLMZTOAB-UGKGYDQZSA-N 458.322 5.770 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 587673177 LBLKNLSKYZIXFP-ASSNKEHSSA-N 493.218 5.255 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587686722 DMENLVABDZCMLK-OWJWWREXSA-N 475.833 6.321 50 1 JKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686865 XUHADLQHWAGDQZ-MQJDWESPSA-N 451.767 5.403 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1Cc1ccco1 962698299 GRMGFQQNIROXDI-ZGFCVWDJSA-N 498.904 5.374 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 2356670087 ZROQCPFOIGVEOJ-HMJHDSOISA-N 452.679 7.045 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)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 38151433 VGVCPRLQICAVQJ-ASEKVHQWSA-N 491.672 6.291 50 1 JKGF N#C/C(=C\c1ccccc1OCCN1CCN(Cc2ccccc2)CC1)c1noc2ccccc12 40641039 OVTKXKJKCBQKGC-LKUDQCMESA-N 464.569 5.089 50 1 JKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118921447 MWFDVWWWXQIXLE-NDPNZEMMSA-N 467.488 6.177 50 1 JKGF CCc1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O 587324949 BBUYUUNEGXMUER-RDGATRHJSA-N 455.913 5.426 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 587855896 KOBVYMURXBJSIY-GKSPTEDESA-N 499.236 6.163 50 1 JKGF Cc1[nH]c2ccc(F)cc2c1[C@@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925919 JWENHUGCURQCNP-OZXSUGGESA-N 480.923 5.195 50 1 JKGF CCN(CCCl)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2)c1 1645416 TUZKNGKXJDKBMD-UHFFFAOYSA-N 479.024 5.318 50 1 JKGF 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@H](Cl)[C@H]1O 38791698 YBTPGKMEEDFQBI-CHGYUPLRSA-N 451.091 5.922 50 1 JKGF CCCCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)OCCCCl)cc1 43411730 XVWZPDOFMSNGFY-DARPEHSRSA-N 493.172 9.512 50 1 JKGF N#CC(=C\c1ccc(Br)cc1)/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 103228458 QQTWMQSCLUYSTE-FNIQPLQKSA-N 471.357 5.003 50 1 JKGF CC(=O)O[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 195496048 CLIYGJMARZASGI-GWMMUDDPSA-N 485.697 5.519 50 1 JKGF COc1cccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)c2)c1 587052260 MCRURALOIQDNHP-UHFFFAOYSA-N 460.855 8.216 50 1 JKGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320686 GLJHQJWPQLWXFI-RSEQLOHWSA-N 499.332 5.112 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)s1 587614416 SKFHLTPJOSBFCX-RXVVDRJESA-N 479.779 6.092 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 587674272 VRIYWXFIGIDGEP-IQMFZBJNSA-N 489.226 6.309 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687104 FLLNSVZXAJMJPJ-OKHZJLECSA-N 467.810 5.732 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587712802 QOMNLPOXKZBARD-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccccc2F)N1 587727891 PWAIEZYIJGEJSX-RIPJAXHCSA-N 459.172 5.483 50 1 JKGF CC(C)(C)[C@@]1(/C(C#N)=C\c2ccc(F)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963468 YRLGKGIVGBJBKT-BHIHAWCJSA-N 472.526 6.344 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2ccccc2)N1 963202354 YXWCCKWZTZPXJK-UNMCSNQZSA-N 474.350 6.391 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857773099 IZEABQVXCWORIV-OAQYLSRUSA-N 493.560 5.541 50 1 JKGF CCCCCC=CC[C@H](CCSSCC[C@@H](CC=CCCCCC)OC(C)=O)OC(C)=O 2356639097 DTLNHSKTUGGNSN-CLJLJLNGSA-N 486.784 8.065 50 1 JKGF O=C(N/N=C\Cc1ccccc1)c1cc(/C=N/Nc2cccc(C(F)(F)F)c2)nc2ccccc12 95555777 KTKIVDDZFGFDTM-XGUWWISTSA-N 475.474 5.658 50 1 JKGF Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 299847316 BUNFYBRJVZNIJV-FPCALVHFSA-N 452.602 5.474 50 1 JKGF O=S(=O)(NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1c(Cl)cccc1Cl 586943484 YGOBZCOCRWMBSJ-UHFFFAOYSA-N 496.310 6.048 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3c(O)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057999 YPPGSNQKIRFWJS-KPKJPENVSA-N 457.346 5.126 50 1 JKGF Nc1ncc(Cl)nc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587086033 CILFGVKVBBBBPV-UHFFFAOYSA-N 450.618 5.675 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 587370815 BWNPUNGPNLRTRD-ZEQRLZLVSA-N 461.389 5.101 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1cccc(Cl)c1F)CC2=O 587465444 DWOASNFWRPYBSC-GHTZIAJQSA-N 455.751 5.867 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542000 FFCCYBFJRGLZIU-BHBYDHKZSA-N 493.043 7.781 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Cl 587615589 YTJXXLVSWRBEEZ-BEFAXECRSA-N 451.725 5.359 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 587689483 SWARSQXLGWAIJH-GJDIJTJZSA-N 481.837 5.978 50 1 JKGF Fc1ccc([C@]2(CCCCl)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1F 962627598 HAJCGTQOWBXSBW-YIXXDRMTSA-N 452.976 5.974 50 1 JKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccc(F)cc3)nc12 1857647649 LOMBEHGRDGXPLF-UHFFFAOYSA-N 499.525 7.347 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5C[C@@H]5[C@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356493883 JTWUHDUABHMRCG-IVQFOWHZSA-N 484.721 7.124 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5C[C@H]5[C@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356493885 JTWUHDUABHMRCG-SAJHOZPHSA-N 484.721 7.124 50 1 JKGF C=CC(=C)CC[C@H]1[C@@]2(C)CCC[C@](C)(C(=O)OC(=O)C=Cc3ccc(O)cc3)[C@H]2CC[C@@]1(C)O 2356780401 VHWCBTIGFYIWEG-OMQSSTEHSA-N 466.618 5.971 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccc([N+](=O)[O-])cc1 64448864 GNIBRQNTXKQNLN-OAQYLSRUSA-N 458.524 5.574 50 1 JKGF CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118922602 NUVDETAVXDNNIF-CGLNPYMMSA-N 452.639 6.203 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587338590 XOIDDKVOXLXESK-GGAORHGYSA-N 459.286 5.628 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O 587417761 PXIOSQVRFJJVSI-HHCYOLOASA-N 456.369 6.026 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(CC)cc([N+](=O)[O-])c1OC)CC2=O 587456367 NSNKTAGRUFURPZ-QFIPXVFZSA-N 478.339 5.080 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Cl)cc2c1=O 587542002 HFKDMNFDOYDCJF-NTKDMRAZSA-N 469.276 5.594 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587543899 MLWDSWKKMXRYEB-LEAFIULHSA-N 473.956 6.204 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1 587546836 YCGXOFZBAHLMGB-RDGATRHJSA-N 464.905 5.192 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671046 ODOQUODDCRFSSY-YULWEGQASA-N 498.234 5.498 50 1 JKGF Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587719667 QYNGRZGZDRVAMT-NSPYISDASA-N 493.161 5.671 50 1 JKGF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587934804 GIJRCFFNXTVFHT-JDNHERCYSA-N 487.288 6.829 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 963186976 LQXQKURNWPRZDM-GGAORHGYSA-N 496.312 6.232 50 1 JKGF COc1ccc([C@]2(CBr)NCCc3c(OC)ccc(Cl)c32)cc1C(F)(F)F 963270055 NPJTVJSVNVFFOS-SFHVURJKSA-N 464.709 5.160 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 963613821 WAEBDKTVARTAAA-LMKMVOKYSA-N 468.670 5.990 50 1 JKGF CC1(C)CC[C@]2(C(N)=O)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 38145606 JPNPFOBFOUTUHR-APTOLJODSA-N 490.688 5.691 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCCC4)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43911275 QBDZNAOQIOKONC-GXODBPKNSA-N 471.638 5.397 50 1 JKGF Cc1cccc(C)c1NC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299827611 PNNFOJBEWBOCAY-UHFFFAOYSA-N 484.669 5.951 50 1 JKGF CCCCCCCCOc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Br 586971870 ZSONGRRGFUREFH-SFHVURJKSA-N 490.280 6.926 50 1 JKGF COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1C 587055053 JEDGOALACNNURM-YVLHZVERSA-N 451.357 6.658 50 1 JKGF C[C@H](Oc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587169031 QTPULXKXMSPERO-QMMMGPOBSA-N 461.225 7.262 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328468 URWSGQFWMMUWQI-LNSFUUPVSA-N 495.978 5.482 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3cc(OC)ccc3c1)CC2=O 587457421 ZBHAKMKEACUJCK-DEOSSOPVSA-N 455.348 5.762 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546367 WIGUKKHPXNOCPO-LVXARBLLSA-N 465.933 5.473 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2N)N1 587675662 AOEHNKHIQNEJST-YPMLDQLKSA-N 476.615 5.340 50 1 JKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)c1C 587922349 BZFDAPCAWZAARQ-STZFKDTASA-N 468.648 5.489 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)[nH]c(=NC[C@H]2CCCO2)c1 1857769466 MVCRMBYFXPEPND-ISTCRNMPSA-N 465.557 5.656 50 1 JKGF C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C 60275558 RKPLHWCOJKGGMT-RROYXPPZSA-N 458.595 5.124 50 1 JKGF CC1(C)Oc2cc(C3(CCCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21 64548782 OEZFJNWWAFCVCB-NHCUHLMSSA-N 477.483 7.173 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587322954 PRCUMPXPPRRUEE-VWNXMTODSA-N 455.323 5.797 50 1 JKGF O=C1C[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 587506654 KVMALNSUPDZNRY-HXUWFJFHSA-N 473.716 6.493 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(CCCl)CCCl)cc1 587544700 OVPUJGZQUUNLIT-QPPBQGQZSA-N 458.341 5.379 50 1 JKGF FC(F)(F)Oc1cccc(-c2nnc3ccc(N[C@H]4CC[C@@H](Br)CC4)cn23)c1 1772595697 OMLIXNDNKDQSNH-OKILXGFUSA-N 455.278 5.413 50 1 JKGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2Cl)o1 1772637857 CAOQXDWNQZWERF-FSJBWODESA-N 469.979 5.438 50 1 JKGF CCCCCC[C@H]1CC[C@H]2CC3=C4CCC[C@@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356376886 ZAKAKJOGFKHZJF-OCMFYPDISA-N 477.784 6.456 50 1 JKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 1653940 VGNDLIWXFSMOLL-KRWDZBQOSA-N 492.963 5.153 50 1 JKGF N#CC1=C(c2cccc3ccccc23)CN(C(=O)Cc2cncn2Cc2ccc(Cl)cc2)CC1 13489045 JHULRWOTZPYWRZ-UHFFFAOYSA-N 466.972 5.490 50 1 JKGF Cn1c(SSc2c(CCC(=O)O)c3ccccc3n2C)c(CCC(=O)O)c2ccccc21 13832598 YEQMSCNOXHUWHS-UHFFFAOYSA-N 468.600 5.504 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3c(Br)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054670 HPTYDJSLTVRCQI-NTEUORMPSA-N 487.188 6.499 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325383 YCQPMTOLMQUTIG-STUCDEKJSA-N 481.007 7.536 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325400 DVTWCJPPADXXGW-AOJNWGRGSA-N 491.987 5.807 50 1 JKGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332511 RBBZRPMPKPWUEL-NNBLJZJSSA-N 462.908 5.408 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21 587670983 NFXDYRMFMMHIED-IDFMNXDXSA-N 496.218 5.347 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 587673822 QNAWAUKKZHKKAV-WNSKOXEYSA-N 489.226 6.309 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961748154 IPOGDXVLFIRFSK-ODCWNRFASA-N 462.968 5.987 50 1 JKGF CSc1cc([C@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)ccc1NC(C)=O 963194012 MULBLRNBGZNDOP-XNMGPUDCSA-N 476.045 5.972 50 1 JKGF C[C@H]1[C@H](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(=O)O)[C@@H]5CC[C@]43C)[C@H]12 1772600007 DNHLNDVKACITPO-XWNJIUHMSA-N 491.672 6.146 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc([N+](=O)[O-])c1 587497884 LIYMZJLKSDSPNW-SANMLTNESA-N 464.949 5.981 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537237 BZAQGRJCXUZWEH-DHLKQENFSA-N 467.359 5.843 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)c(Cl)s1 587897612 MFSIPRQOKRAHSZ-UHFFFAOYSA-N 451.600 5.314 50 1 JKGF Cc1cc([C@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c(C)n1Cc1cccs1 963011738 OHKFOSOTLFIUSR-VWLOTQADSA-N 468.091 6.212 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)[C@H](CC(C)C)NC(=O)OCc1ccccc1 963607764 KDGSYAIPBNLAHA-WMDMVVLCSA-N 475.029 5.013 50 1 JKGF 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)CC[C@]23C)[C@@]1(C)N=C=O 43569797 MBQHMNWMGLHFJP-PAXZOXOCSA-N 495.748 7.664 50 1 JKGF CCCCCc1ccc(-c2cn([C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 44387406 NORKLWJELHZFRV-SQBFAPBDSA-N 481.637 6.058 50 1 JKGF CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 135919701 ULZLQAWMWUNYHY-NYXVCXHXSA-N 464.687 7.466 50 1 JKGF CC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 587217586 XTNAVNANUKJXRG-OAHLLOKOSA-N 498.315 6.711 50 1 JKGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325502 YFOANENZKRNZFF-NYEJTYJQSA-N 453.897 5.371 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329245 CPNLAXMUAFFHHQ-DFTDMARZSA-N 459.286 5.708 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)F)c2)[C@H]1c1ccc(F)cc1 587332340 SAJLULKTFSBXMP-REWPJTCUSA-N 493.275 5.782 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(NC(=O)OCCCCl)cc1 963281634 UAPZADYNESWPSW-OAQYLSRUSA-N 451.792 5.378 50 1 JKGF CC(=O)O[C@H]1C[C@@](C)(Cl)[C@H](Br)C[C@@H]1[C@@]1(C)CC[C@H](Br)C(C)(C)O1 49793813 FLSDGNYXFPEZAL-WQAPVAGSSA-N 474.661 5.200 50 1 JKGF CCOP(=O)(OCC)[C@](C)(N)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95581945 OOZGSTWWTYRRDL-MHZLTWQESA-N 484.537 5.702 50 1 JKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1 299841007 XHQKQEILDROLKV-RUZDIDTESA-N 496.563 5.581 50 1 JKGF NC(=O)c1cc(N2CCC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262471 ADCNDVRHTQOPDY-UHFFFAOYSA-N 491.442 5.611 50 1 JKGF [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538988 TVHZEHAORUZFQK-RXVVDRJESA-N 452.264 5.586 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(Cl)cc1 587539013 UBUNPPPCPIFKLP-REWPJTCUSA-N 473.750 6.078 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1F 587545732 HJKZIAYTMCHPHR-UWJYYQICSA-N 497.238 5.802 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1C(F)(F)F 587550169 UCBMLFBPSSSGJN-WIYYLYMNSA-N 479.248 5.663 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587686348 UCHPVYVLVSITFC-SBKAZYGRSA-N 471.153 5.233 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587737455 FKMNIDYCMCTXAB-BTDLBPIBSA-N 460.281 7.043 50 1 JKGF N#Cc1ccc([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)s1 962627647 HGWAJHMCQQJAHY-RDPSFJRHSA-N 464.432 5.005 50 1 JKGF FC(F)(F)c1ccc([C@@]2(CCCCl)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962634434 HPDRSADOVGNELE-VPUSJEBWSA-N 484.993 6.715 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1 963009324 MCQIVZAFQOIBFX-JOCHJYFZSA-N 477.855 5.810 50 1 JKGF O=C(NNc1nc(-c2ccccc2)nc2c1[C@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 45260625 YCIPHLPRACLFSU-JOCHJYFZSA-N 476.540 5.309 50 1 JKGF Clc1ccccc1CNc1ncnc2c1cnn2C[C@H](Cl)c1ccc(Br)cc1 96272507 PYGLWXFBTJNWSQ-SFHVURJKSA-N 477.193 5.834 50 1 JKGF O=S(=O)(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)s1 586942580 NIIZZNCZWQGDFD-UHFFFAOYSA-N 498.318 5.523 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587081868 HSIBPCPFUXAUOZ-UHFFFAOYSA-N 450.820 6.774 50 1 JKGF CC(C)(c1ccccc1)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323992 VHQYHFLDBVANOV-DHLKQENFSA-N 469.350 6.002 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587325930 IBACDCSUKMKBQN-IAPPQJPRSA-N 464.964 7.072 50 1 JKGF CC(C)(C)c1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327286 ORWJANHEXQEVPN-IGKIAQTJSA-N 452.953 6.712 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O 587460375 MEHBYDPJDMILAA-VWLOTQADSA-N 458.385 6.505 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(Br)c1F)CC2=O 587465159 BHRHEVGBXYHQHZ-IBGZPJMESA-N 472.148 5.502 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587498906 JYOMNHNDDDSHRU-LFPIHBKWSA-N 454.364 5.094 50 1 JKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508496 PHKWJOJLQLZLIW-DEOSSOPVSA-N 489.584 6.906 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537122 ATVMUADTHMTTJC-PKHVTESESA-N 467.359 6.156 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2)N1 587674246 VIBRTARYGQUTDU-QGHHPUGFSA-N 492.024 5.523 50 1 JKGF COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587683175 FTADQXFHSXAAKB-FIKIJFGZSA-N 451.767 5.403 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684000 IWNSVBAZJUKTNJ-CMJOXMDJSA-N 481.837 6.124 50 1 JKGF COc1ccc2c(c1OC)[C@]1([C@@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676557 KZPPSFDMNLLKEE-CPJSRVTESA-N 495.969 6.434 50 1 JKGF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCCCc1ccc(N=C=S)cc1 27518736 MIAOJBAWGZZMRM-ZYQDXHPFSA-N 469.050 6.207 50 1 JKGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCCCC1 137908680 VSEYTXZVBMLJQS-UHFFFAOYSA-N 467.650 6.036 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299814837 MRLLQMICRKAEIG-OBJCRARUSA-N 491.716 7.056 50 1 JKGF CC1(C)C(=O)OC(=O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C 299882632 QBSSDCHQINCLNL-YSZNZTTBSA-N 484.677 6.083 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587323698 MKTCQXDOGMHJPT-OFIANZKKSA-N 489.974 6.821 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1)CC2=O 587462773 SOTWVMHATGBZLH-LJQANCHMSA-N 461.249 5.758 50 1 JKGF Cc1[nH]c2ccc(F)cc2c1[C@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925912 JWENHUGCURQCNP-JYFHCDHNSA-N 480.923 5.195 50 1 JKGF Cc1c(C(=O)CCl)c2ccccn2c1[C@@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963113762 ZTFZNENDWVUJGW-MUAVYFROSA-N 490.981 6.260 50 1 JKGF COC(=CC(=O)N[C@H](C[C@@H](C)C(Cl)(Cl)Cl)c1nccs1)C[C@H](C)C(Cl)Cl 2356870181 XOEPHLACOYECHC-HOSYDEDBSA-N 482.688 6.057 50 1 JKGF CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O 14556877 CMKAMRUVQONAPO-VGJBLBMZSA-N 474.726 6.612 50 1 JKGF N#C/C(=C(\O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 102853611 CHLGGFOIIALNAM-RELWKKBWSA-N 454.958 5.217 50 1 JKGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N 103951026 XOZWTUOJBUDEAX-QGZVFWFLSA-N 484.242 5.978 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc(-c4ccccc4)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 147807670 NCAMFZHGFDTAPJ-ZZVFUPHRSA-N 462.590 5.052 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2coc3ccccc23)N1 587673772 PVGCAJKVXITQEY-WYRIXSBYSA-N 453.149 5.507 50 1 JKGF CC(=O)c1ccc2c(c1)[C@](CCCl)(c1cccc(F)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962617256 BVJAMJOOUWHOQD-OFVILXPXSA-N 475.944 5.147 50 1 JKGF COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@H](Cl)CCCCCCCCCl 1911574828 VTWRZYHFYMEMTQ-ZMFQYLAGSA-N 494.544 6.497 50 1 JKGF COc1ccc(-c2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc3c2[nH]c2ccccc23)cc1 45254495 RKXLGAWKYMDTAO-JFLMPSFJSA-N 465.469 5.064 50 1 JKGF C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)COC(=O)CBr 87613197 HZDZLOAWXHMZSL-RVQLRVPPSA-N 451.445 5.731 50 1 JKGF C=C1CCC(C)=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I 195236081 BWCWRUFCLLPMEZ-SIKLNZKXSA-N 482.522 8.047 50 1 JKGF CC(=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 473125583 REMZATIPDXZDEV-CXFHPJBZSA-N 489.700 6.795 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3c(S)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056930 PYADITJGEOHJNR-GHXNOFRVSA-N 473.414 5.709 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587322414 MINXDJTUBJZZRW-JYFHCDHNSA-N 483.377 6.478 50 1 JKGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325836 ZRKFYBGOVMLWCI-BHLWPZGCSA-N 481.951 5.092 50 1 JKGF COc1cccc(-c2cc(-c3cc(CCl)c(OC)cc3OC)nc3c2oc2ccccc23)c1 587359556 ZFBTVOCDCXNTMH-UHFFFAOYSA-N 459.929 7.080 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2)N1 587684104 VVKVOCZPTWANNI-ADLMAVQZSA-N 461.600 5.757 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 587719301 KYYWNYUOKWZLPS-BTDLBPIBSA-N 497.124 5.660 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnc3cc(CO[Si](C)(C)C(C)(C)C)oc3c2)N1 962943859 DDJUPKIMUUXVHQ-WHLCRQNOSA-N 475.709 7.019 50 1 JKGF CC1(C)CC2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@]2(C1)c1ccc(F)cc1C[C@H]1CCCN12 963110109 MMBHZAXTYQGEJG-HWOONTJSSA-N 490.022 6.277 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(Cl)s2)N1 963181583 GXGCYQPTQZCXSW-IAQYHMDHSA-N 489.140 5.311 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1ccc2c(c1)Cc1ccccc1-2 963603293 CFBJOQFVOJICLM-AKJBCIBTSA-N 464.403 5.448 50 1 JKGF N#C/C(=C\C=C(/Cl)c1ccc(Br)cc1)C(=O)c1c[nH]c2ccc(Br)cc12 1772608027 ZRGNEDCMCUDJNF-FFKTZLGGSA-N 490.582 6.605 50 1 JKGF Cc1cc(Br)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)CCl 103210163 CXJXWXKRLFVCRH-UHFFFAOYSA-N 487.225 5.049 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054485 GCIAXZZWLOOTIE-NTUHNPAUSA-N 477.182 7.043 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O 587461209 RADJRPJBKOPBOA-AREMUKBSSA-N 484.379 6.084 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499347 MIGAGGLIPVXGNA-DHLKQENFSA-N 470.407 5.804 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686086 SLIYFGSNHMRLGF-RNODOKPDSA-N 460.218 5.496 50 1 JKGF N#CC1=C(c2ccc(F)cc2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772623443 YJXXFHZCUPRNDM-OAQYLSRUSA-N 486.387 5.802 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc3nccnc3c2)cc(C(F)(F)F)c1 1857651069 DQMCKUVJSRVQIG-UHFFFAOYSA-N 478.902 5.519 50 1 JKGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@@H]1[C@@]1(C)CC[C@@H](Br)C(C)(C)O1 2356604733 FLSDGNYXFPEZAL-PLTNMTJDSA-N 474.661 5.200 50 1 JKGF Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c12 28642044 KFOAIGAFTAGVGB-QRQIAZFYSA-N 476.496 5.068 50 1 JKGF COc1cc(N[C@H](C)CCCN(Cc2ccc(F)cc2)C(=O)C(C)(C)CCl)c2ncccc2c1 35097430 HPSYBMOEUMYXLB-LJQANCHMSA-N 486.031 6.257 50 1 JKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(C#N)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103236509 DNDUPLBPBGYQIM-NCIHQIAMSA-N 493.732 7.907 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055084 JTHWIRYPGLDWDS-NTUHNPAUSA-N 477.182 7.043 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F 587547424 LIZNHTNTXYGPFZ-UGKGYDQZSA-N 465.855 5.469 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N=C=S)cc1 587614270 ROKUZRISOGEXGW-SHQCIBLASA-N 451.503 6.032 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587669308 CRUVBEOQZOTGRQ-FDMGOTLNSA-N 491.626 5.811 50 1 JKGF C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 587671331 QVDKHOOQYGXPSD-OFRGTUEJSA-N 485.279 6.318 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587673140 KOHACUORGREWOD-ZUOKHONESA-N 455.209 5.884 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685365 PTVJCQACTIMKMU-MWTRTKDXSA-N 452.839 6.728 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 587712504 BBEQVWLGHZVFHM-YPMLDQLKSA-N 479.134 5.362 50 1 JKGF Cc1c(F)ccc2c1[C@@](c1ccccc1)(c1ccc(S(F)(F)(F)(F)F)cc1N)NCC2 962148668 SYTPTBWBNPCLQG-JOCHJYFZSA-N 458.471 6.811 50 1 JKGF FC(F)(F)c1ccc([C@@]2(CCCCl)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962634431 HPDRSADOVGNELE-BDYUSTAISA-N 484.993 6.715 50 1 JKGF O=[N+]([O-])c1ccc([C@]2(CCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962962506 VVEPRRCCONVUSM-QHCPKHFHSA-N 482.930 5.918 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1cc(F)cc(Br)c1F 963062463 DAITYEKMFVUOAA-HXUWFJFHSA-N 498.165 5.068 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCOC(C)(C)C)cc3)(C(F)(F)F)C2)cc1 1772647879 ZSHDXHIXEQNOCA-VWLOTQADSA-N 472.507 5.444 50 1 JKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356306453 CBVJJGRSRFXUPK-PPJWLILNSA-N 458.847 9.248 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 2356641261 KMWGWTNMXOQIAG-MJVQZXIZSA-N 466.662 6.224 50 1 JKGF COc1cc2cc(C(=O)Nc3cc(O)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC 28521221 BOKOYFUXAUQIDA-UHFFFAOYSA-N 454.910 5.086 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 169299315 YCLFNFMIGLHWRQ-XFFJRBDGSA-N 453.347 5.307 50 1 JKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1O 587045841 GGVJAYWATNWGEP-UHFFFAOYSA-N 479.652 7.017 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 587383645 UKYYYPUZDGDTAA-XMMPIXPASA-N 460.908 5.686 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500127 QPBAZMVEXYYAPP-DXPJPUQTSA-N 485.418 6.161 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537794 KIVUTHNQVBIGSU-OFVILXPXSA-N 492.325 5.608 50 1 JKGF COc1ccc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Cl 587541437 BDKKBKHJZSTXJU-BKMJKUGQSA-N 481.331 6.303 50 1 JKGF CCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671901 BFTVRKNUPZKZLR-ZUOKHONESA-N 455.209 5.713 50 1 JKGF COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587683178 FTADQXFHSXAAKB-MQJDWESPSA-N 451.767 5.403 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587849346 SZKGVGBXPVWLOM-GTJPDFRWSA-N 487.866 5.329 50 1 JKGF CCC(=O)Nc1ccc([C@@]2(CCl)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)cc1 963305498 YDUXIRLNMYBYRA-MHZLTWQESA-N 466.984 5.724 50 1 JKGF COOC[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CCc5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 1857544514 ZDVIRCPVYBNXLF-FLLCQAMJSA-N 456.667 6.909 50 1 JKGF Clc1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 100399327 JPSLIIDRSWXSFJ-QCOHSWCKSA-N 493.484 9.294 50 1 JKGF O=C(NCCCCl)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 473136403 QXWHYLSCPLQVLT-UHFFFAOYSA-N 471.340 5.541 50 1 JKGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587324579 RNLUAKVQXDJHKT-SFLYKWJJSA-N 479.935 5.322 50 1 JKGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587324580 RNLUAKVQXDJHKT-WXWDTJSGSA-N 479.935 5.322 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)no1 587326342 LDLIOJWBRLMAJK-AHWVRZQESA-N 480.923 5.728 50 1 JKGF O=C1C[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)Oc2c1ccc1c2CCCC1 587500622 TWCHTSWQCRDYOW-SSEXGKCCSA-N 495.416 7.718 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(Cl)c1 587539007 TZKLIEABULRJLJ-NQIIRXRSSA-N 480.141 5.951 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587545226 QELCPWNWJCVMTN-LSYYVWMOSA-N 473.956 6.204 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1F 587557919 PUGXSAIWFHADQT-UGKGYDQZSA-N 477.713 5.780 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587685066 NMZVNKICVAVGFR-LFVRLGFBSA-N 489.772 6.180 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 587689803 WJYNMBZTFLIDPA-UNQQEYLISA-N 458.762 5.473 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587707814 XGICSASEGYCIRY-QOJFYFMMSA-N 464.684 5.105 50 1 JKGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)C[C@H]3CCl 49068724 FKMLVVFZGFLDDZ-LLVKDONJSA-N 491.853 5.143 50 1 JKGF N=c1n(CCCCCCCCCCCCBr)c2ccccc2n1Cc1ccccc1 377438877 LWYQXEZBLSHBMQ-UHFFFAOYSA-N 470.499 7.266 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1F 587557916 PUGXSAIWFHADQT-KNQAVFIVSA-N 477.713 5.780 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671482 SERJYKYUIWULCN-ADWYPQAOSA-N 491.626 5.811 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587684535 KYAXTXRMMYWLLG-AMXDTQDGSA-N 463.778 5.211 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@H](C)c1ccccc1 587688790 OFYMZELRYHAHHB-XMJUDYLUSA-N 489.860 6.632 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 587857578 SCJYLDMRXHVVGT-LTHAISSMSA-N 499.236 6.163 50 1 JKGF CN/C(SCc1ccc(F)cc1)=C(/C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957654769 MJTFPQYDXZTFAO-XLVZBRSZSA-N 494.595 5.848 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962626573 BWORVUMUAIFTOH-OQTGDVNSSA-N 459.077 6.602 50 1 JKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(CCCCCl)c1ccc(Cl)cc1Cl 962699488 IJZRNEIJJOTLHS-GAJHUEQPSA-N 472.884 7.149 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cccc(C#N)c1)C(Br)Br 963229624 OJKCPPYOFCTIBZ-YCRPNKLZSA-N 462.229 5.574 50 1 JKGF O=C(Oc1ccccc1)N(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F 1772641188 BJKDUPLTMDRMDB-UHFFFAOYSA-N 470.856 5.258 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44069654 LWIFTRVERDVFFU-SEQOJFOPSA-N 450.575 6.078 50 1 JKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2ccccc2)C(N)=C1C#N 103950487 LNUHGTKLVZSNDX-KRWDZBQOSA-N 465.359 5.512 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)ccc1Cl 587537177 BOCJCWUQRFJJIP-NQIIRXRSSA-N 480.141 5.951 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 587672799 IADZJHWDXUMZEP-FKIZINRSSA-N 453.193 5.250 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587678828 DDWNDYSFNNLOOZ-MYODQAERSA-N 456.742 5.774 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 963058164 QINBCMJCAMFFBO-NDEPHWFRSA-N 488.418 6.673 50 1 JKGF CCCC=CCC=CCCCCCCC=C(C=O)CCCCCCCCCCCCCCC 2356721122 VAXBVTIWCANCOY-UHFFFAOYSA-N 458.815 11.236 50 1 JKGF CC[C@@H](C)CCCCCCCCCCCCc1cc(OO[S@](=O)O)cc(OO[S@](=O)O)c1 2356865672 WCWKSWPMYTVNDP-LJQANCHMSA-N 494.672 6.461 50 1 JKGF CSc1nc(NCCc2ccc(Cl)cc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 43120287 JDNVJUSNBIBSPF-LJQANCHMSA-N 458.418 5.836 50 1 JKGF CCCCCCCCCC(=O)NCCSSCCNC(=O)CCCCCCCCC 44138362 AUGPDFHYVOIXSH-UHFFFAOYSA-N 460.794 6.882 50 1 JKGF CC(C)(Cl)[C@H](Br)CC[C@@](C)(Br)[C@H](Br)CBr 73273469 VQJJUSUYXITRKY-NQMVMOMDSA-N 492.315 5.860 50 1 JKGF S=C(Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](CBr)S/C1=N\c1ccccc1 82052395 NJGNEGPDTWGVBX-YSFPUWIGSA-N 475.264 6.190 50 1 JKGF COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144108 PNOIFZWHXTVNLN-UHFFFAOYSA-N 488.409 7.400 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 587329977 ZCUPOXCQLRPEFM-WNJJXGMVSA-N 484.910 6.117 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1sc3ccc(Cl)cc3c1C)O2 587414290 UAOXKOHDNLMRAQ-FQEVSTJZSA-N 450.785 6.009 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2=O 587461178 QHUSFMXIEWLCPU-MUUNZHRXSA-N 466.021 6.975 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1sccc1Br)CC2=O 587491589 LZQHJAVZHBNTQM-QGZVFWFLSA-N 460.187 5.424 50 1 JKGF CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497685 KKSSRCBKNNGGNV-RRPNLBNLSA-N 486.439 6.090 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554181 JWOJCWJJRDSDPJ-SAWWVNKFSA-N 461.258 5.311 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 587683839 IFSOAXDOMKUYST-ZSEKCTLFSA-N 453.783 5.343 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 587687972 JFQUXYIKIHROAQ-PUAOIOHZSA-N 493.892 6.914 50 1 JKGF O=C(NN=C(c1ccccc1)c1ccccc1Br)c1ccc(Br)cc1 2356317775 RTMDLCQHOSEPAL-UHFFFAOYSA-N 458.153 5.394 50 1 JKGF C[C@H](Br)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669793 LTFMGHWBBACKDO-GAEAECKMSA-N 451.533 7.516 50 1 JKGF C/C(=N\NC(=O)c1ccncc1)c1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1O 103242085 AGGIZYUREYPXBI-DFKUXCBWSA-N 464.569 5.144 50 1 JKGF CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372350 ULZLQAWMWUNYHY-KZWGWVPLSA-N 464.687 7.466 50 1 JKGF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586960474 CEGSENSSYBGABZ-YFKPBYRVSA-N 492.293 5.914 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2Br)[C@@H]1c1ccc(F)cc1 587324385 YHQAOQSCWBUFAI-FYYLOGMGSA-N 475.741 5.873 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324655 SKMUBMNTWOFUKJ-NAKRPHOHSA-N 472.899 6.213 50 1 JKGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325838 ZRKFYBGOVMLWCI-OWMKWSJFSA-N 481.951 5.092 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538088 NDVATVNYBQOOSH-XUZZJYLKSA-N 453.332 5.768 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C 587689045 PBMUYECOIOHFRY-VERVWZFWSA-N 485.825 5.220 50 1 JKGF C[C@@H](CC=CC(C)(C)OO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356375128 QVDQRPBOZUHTCX-YTXZDOLYSA-N 458.727 7.637 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356492727 BJRGCOCQXMDCDB-UQZPWQSVSA-N 464.282 5.364 50 1 JKGF Cc1ccc(CCNc2c(C(=O)OCC3CC3)cnc3c2cnn3C[C@H](Cl)c2ccccc2)cc1 13675591 IWQXSZVGOYWAGJ-VWLOTQADSA-N 489.019 5.941 50 1 JKGF CCOc1ccccc1[C@](N)(c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(F)(F)F 587093589 VJCHVKWFDZHJFJ-INIZCTEOSA-N 461.378 6.384 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 587458448 JDLFAXCIRJKLPW-JMGYQRAPSA-N 489.955 5.364 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587671374 RFWGMWGUDAWKGX-RRMDADRESA-N 467.220 5.638 50 1 JKGF Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587673170 LAAYPTVRMHYDPD-LRTDBIEQSA-N 493.218 5.255 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)c2ccsc2CCN1Cc1ccco1 962714334 ZEIYYRKFYFFSRI-GKVSMKOHSA-N 457.039 6.255 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4ccc(Cl)cc4)C(=O)O[C@@H]3[C@H]21 206972288 VOBUJBOJMGGBTM-YHXFCYGRSA-N 473.129 7.566 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)O2 587382187 JWMURGMLTIDVFG-LMKMVOKYSA-N 474.935 6.074 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3c(CC)cccc13)([C@H](Cl)c1ccccc1)CC2=O 587458816 LJHLEJDDQGHLDN-FQLXRVMXSA-N 474.000 7.229 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(F)c1Cl 587556363 OGIVDDQNPSEOLU-LAUBAEHRSA-N 498.131 6.090 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587669927 GZMUXNZXXJLFLG-ZBUHCNDUSA-N 487.207 5.167 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587858096 XXBVFRNPKIBSOL-KNNTUQDDSA-N 478.818 5.534 50 1 JKGF COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13834909 YEHHYQFHXAWRHM-HWNGVROXSA-N 491.716 7.056 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587056963 SPEGXDXPJXLUBX-GHXNOFRVSA-N 458.740 5.149 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 587335681 RFDGOUQFLFUXPN-IRLDBZIGSA-N 463.249 5.459 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 587335682 RFDGOUQFLFUXPN-RBBKRZOGSA-N 463.249 5.459 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OCc3ccccc3)c1)CC2=O 587456240 LKIIUCPQTGEOSR-AREMUKBSSA-N 481.386 6.179 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)ccc1Cl 587537179 BOCJCWUQRFJJIP-WIYYLYMNSA-N 480.141 5.951 50 1 JKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587540056 ZPQVLFONPOXIQY-HYBUGGRVSA-N 465.299 5.699 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)c2ccccc2)N1 587672958 JCDMVFNYRSSWJP-ZUOKHONESA-N 455.209 5.690 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 587714512 VSFNUCBBPCRWJQ-PJYBLOJUSA-N 495.152 6.168 50 1 JKGF CC[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl)C(=O)Cl 587880946 HFENRVSZTFTNPF-SFHVURJKSA-N 473.183 5.280 50 1 JKGF Cc1ccc2c([C@@]3(CCl)N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)c(C)n(C)c2c1 962925989 RZBVDMVMAVQOJO-CUBQBAPOSA-N 490.987 5.374 50 1 JKGF CC(C)(C)[C@]1(/C(C#N)=C\c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963190891 GGKXBAMVKBJTIX-QSKNQHKXSA-N 475.592 6.387 50 1 JKGF C[C@](O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857594324 ZRKNPDKSXPOJGP-INIZCTEOSA-N 481.361 6.011 50 1 JKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356649370 KCFVOYBKZOJAGM-HKYJTPCHSA-N 457.709 5.076 50 1 JKGF C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C#N)O[Si](C)(C)C 2356745415 XJMCXAZKIBJUJN-WPOGPXGLSA-N 473.806 6.462 50 1 JKGF CCN(CC)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71316928 RQTSPRDOSAWGFD-UHFFFAOYSA-N 466.626 5.734 50 1 JKGF CO[C@H]1C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](Cl)C[C@]4(O)C3=CC[C@H]2C1(C)C 72317846 LBZUVLKHMCLFOF-NNBAVTBJSA-N 459.026 5.446 50 1 JKGF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2CCCCc1ccc(N=C=S)cc1 100900585 MIAOJBAWGZZMRM-ZGFBMJKBSA-N 469.050 6.207 50 1 JKGF C=C(C[C@H](O)/C=C(\C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255224120 KUSJNVJEIABOSC-KYTXSLQASA-N 454.695 6.693 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587017160 IYRMCGVVQMZKHQ-UHFFFAOYSA-N 469.464 7.636 50 1 JKGF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587091253 HZTVLOLWUVIWNQ-UHFFFAOYSA-N 487.294 7.242 50 1 JKGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587321288 IQJGPHBRZDRSOJ-HUVFLSCGSA-N 491.353 5.147 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)cc1 587322471 MNPOWEVERPCJRI-SIKLNZKXSA-N 496.159 6.487 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 587328656 JUEMBZWODPFJMJ-UNMCSNQZSA-N 495.266 6.199 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328873 WFJNSRZGMABRBJ-ZEQKJWHPSA-N 467.924 5.619 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337828 WAJPPMDLFHUDCM-DFTDMARZSA-N 459.286 5.708 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1scc(Br)c1Br)O2 587412474 ZFMNOVKOSJKWJU-OAHLLOKOSA-N 465.594 5.263 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(C)cc(C)cc1Br)[C@@H](C2)C3=O 587413618 HSWLYNFYVDTQBG-VBKZILBWSA-N 466.169 5.112 50 1 JKGF COc1c(Cl)cc(Cl)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498848 IUVXIEQXONMHKI-OAQYLSRUSA-N 470.190 6.136 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 587507708 NYPOBCKFTFWAQV-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546203 UWAAPWQHHMBDMT-GUDGPEQWSA-N 479.960 5.861 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587546914 YWKVXBJEWZHGCN-NVQXNPDNSA-N 465.933 5.372 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C 587688219 JSKKNAZJPBLOGC-PEBXRYMYSA-N 455.843 6.069 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)n1-c1nccs1 963192064 QAJYIGAWODMZNT-AHKZPQOWSA-N 473.045 6.156 50 1 JKGF C=C(C)[C@H]1CC[C@@](C)(O)[C@@H]1/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(/C)C=O)CC[C@]3(C)O)O1 1857536157 ULPDGPJJKVQNSL-VEVZTRFOSA-N 484.677 5.430 50 1 JKGF CC(C)=CC=C[C@@H](COO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356464278 DICZHBSJZBDKMM-ZFBDSDMXSA-N 456.711 7.415 50 1 JKGF CCOc1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)cc(OCC)c1OCC 3234429 TTYYBSFVVRPJHE-BETUUBAFSA-N 461.356 5.034 50 3 JKGF CC1(C)CC[C@]2(C(N)=O)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 38145607 JPNPFOBFOUTUHR-SBTAANNESA-N 490.688 5.691 50 1 JKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)CSSC1 85596472 WRNXKFZWVQVLEV-YERXGYGTSA-N 486.659 5.212 50 1 JKGF biogenic,in-vitro Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587320623 GCXGLXGGEOBGRP-FYYLOGMGSA-N 486.293 5.397 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587499429 SUQSKFFIIDKWCV-AREMUKBSSA-N 454.397 6.726 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](Br)c1ccccc1 587537362 DJJNBURTJSTCAF-RNJDCESWSA-N 487.349 6.386 50 1 JKGF Nc1cc(Br)ccc1[C@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540908 RTVLANMCPZZEEC-UGKGYDQZSA-N 474.738 5.223 50 1 JKGF O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625195 DQIUQVVEUIRXJY-UHFFFAOYSA-N 455.185 6.703 50 1 JKGF CC(C)(C)[C@]1(COc2ccc(C(=O)Cl)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962704846 DIWBBYNTXNEWOR-PGRDOPGGSA-N 453.888 5.032 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cccc(OCC(F)F)c1 963186938 HDBYTDBEQFWQRB-AZGAKELHSA-N 497.383 6.092 50 1 JKGF Cc1ccnc([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963833132 SFMMOUVOHDQXPH-VWLOTQADSA-N 462.391 5.235 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)[C@@H](C)Cl 35245273 JUYPKXVIXYIXAU-NIYFSFCBSA-N 480.008 5.178 50 1 JKGF COc1ccc([C@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934099 OBUVQOKGWJVHLZ-INOCPDNRSA-N 456.494 5.000 50 1 JKGF CCNc1ncc2ccccc2c1-c1ccc(NC(=O)CCN(CCCl)CCCl)cc1 169328157 YRSJNGIQQVWNPN-UHFFFAOYSA-N 459.421 5.442 50 1 JKGF O=C(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cscn1 587028839 ZZOJRTZKMUSXJX-UHFFFAOYSA-N 463.251 5.369 50 1 JKGF CCOc1n[nH]c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1Cl 587065675 XGUUFKFNVXNZRV-UHFFFAOYSA-N 467.645 6.425 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 587324023 VOZNFKVUGZQJEZ-RBBKRZOGSA-N 472.266 5.089 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C(F)(F)F)cc4)c1C)[C@@H](C2)C3=O 587419396 CBJONCASLAJJDR-GBXCKJPGSA-N 475.894 6.003 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](Cl)c1ccc(OC)cc1)CC2=O 587457747 CDTOCWZZZAMDFJ-SVBPBHIXSA-N 466.961 6.203 50 1 JKGF CSc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615360 XGUNEWRIRSNKCY-UGKGYDQZSA-N 457.345 5.366 50 1 JKGF O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625397 HOCLYOUEURXJLB-UHFFFAOYSA-N 499.636 6.812 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587674122 SYEQIZXQSULFAE-IQMFZBJNSA-N 489.226 6.428 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1cc(F)cc(Br)c1 962368691 BWYLIIANWDNVFI-HXUWFJFHSA-N 498.259 5.685 50 1 JKGF Cc1cnccc1-c1cc(C(F)(F)F)cc([C@@]2(C(C)C)C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 1772604357 UMXPFKMNDHSAFK-QHCPKHFHSA-N 453.468 5.136 50 1 JKGF CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(OO)C2)C1=O 2356445420 AWDUWDVISOBEPH-YVNHAIRRSA-N 488.621 5.044 50 1 JKGF Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(CCl)CCl)cc1 49777243 FMGATKWDOOJNKK-UHFFFAOYSA-N 472.319 5.240 50 1 JKGF COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 100783063 YCWNSSLCHYTWSQ-XMRDSHQESA-N 478.557 5.045 50 1 JKGF C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCCC=C[C@@H]1C2 195517241 KXYJMXIMQSTFBJ-GZGNHOFSSA-N 486.773 6.245 50 1 JKGF CC[C@@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424080 WZYPWZZZNPNHMW-JPYHZWLXSA-N 462.973 6.150 50 1 JKGF C[C@@H](Cl)C(=O)Nc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587496840 GDNAGHKIIIMMTM-HYDGNGQDSA-N 485.967 5.585 50 1 JKGF C[C@@]1([C@@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508281 UMKFXJZXSPRZJQ-UNMCSNQZSA-N 451.763 6.088 50 1 JKGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F 587510739 XUNRIKAKOSMCLE-NRFANRHFSA-N 469.297 5.848 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537830 KTIXTSMNUFSSMU-HVKUTMBPSA-N 494.341 5.230 50 1 JKGF O=C(Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 587547263 ZMOSBHRMJHGTGL-RBJSKKJNSA-N 485.923 5.740 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1sccc1Br 587612587 JZYWRZMDPIMXHC-HNAYVOBHSA-N 451.725 5.312 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587679327 FVKBRBLHQYVQNL-FATZIPQQSA-N 458.758 5.793 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587688411 MGMHFZOLDGSLRE-XXAQJILISA-N 481.837 5.978 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587715191 WXHUOGVLWZRCMF-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587956882 FGGZEFSTNPYTQC-UHFFFAOYSA-N 456.719 7.607 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCCCCl)(c1cccc(Br)c1)N(C)[C@H](C)C2 962640629 WXEREAATLHKOLF-CJAUYULYSA-N 494.901 6.776 50 1 JKGF CC[C@]1([C@@H](C)Cl)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962680692 RGDNFWVXJSSYGJ-PEBXRYMYSA-N 455.904 5.654 50 1 JKGF FC(F)(F)c1cccc2c1[C@](CCCCCCCl)(c1ccccc1)NCC21CCOCC1 962962668 WNLWWBVQKXUYMI-VWLOTQADSA-N 465.987 6.790 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(Cl)s2)N1 963181588 GXGCYQPTQZCXSW-NHYWBVRUSA-N 489.140 5.311 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1ccc(Cl)o1 963863149 PFXRFJBPPWPOBR-IVZQSRNASA-N 498.801 5.516 50 1 JKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@H]1c1ccc(Br)cc1 1911572228 RRBCOXIAGAHGNK-OAQYLSRUSA-N 487.309 5.146 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@@]1(C)[C@H](C2)[C@](C)(O)[C@@H](O)C[C@H]1Br 2356655994 NMTHADGRZFKZFY-XNBPFSFRSA-N 464.282 5.198 50 1 JKGF CC(C)=CCCC(C)=CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@@H]21 2356796823 NNOODFWZCDRSHA-GVUKDKGQSA-N 473.451 7.119 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1cccc(Cl)c1 13675529 MCFKQWMZMTUIAE-HSZRJFAPSA-N 497.426 6.285 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106635 GKFBQFHKGLDBCM-MOAHKDJASA-N 470.528 5.863 50 1 JKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 103208289 VLZPEPJNQVTSFL-OAQYLSRUSA-N 454.486 5.194 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587330021 ZVGJPHQPAOUCPU-IXCJQBJRSA-N 466.980 7.147 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1(c2ccccc2)CC1 587537411 FDKNUUQPVXCIGJ-HYBUGGRVSA-N 451.316 5.219 50 1 JKGF Cc1ccc(C(=O)/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587966591 WQUJFYFAHKROCV-VOTSOKGWSA-N 467.257 7.187 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 963188101 LQXQKURNWPRZDM-JTHBVZDNSA-N 496.312 6.232 50 1 JKGF N#CC1=C(c2ccc(F)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc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c2cccc(C(F)(F)F)c2)CC(c2cccc(C(F)(F)F)c2)=C(C#N)C(=C(C#N)C#N)N1 1864088 QOIPSHGTZXHMJJ-QFIPXVFZSA-N 472.392 6.211 50 1 JKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](I)[C@@H]1CCC(=O)O1 28337150 XAUVUVPAWZOGHZ-JTYVJBCUSA-N 468.419 7.027 50 1 JKGF C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@]2(C)O 101262424 CFAGZVWUNVZOHJ-ZVBOOHQUSA-N 460.639 6.352 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NN)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 254124734 LCWLIURWPQHNSO-WSGXQLMRSA-N 468.726 6.203 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1cccc(Br)c1 299816655 KUSVZOZKPVHHAH-UHFFFAOYSA-N 479.403 5.241 50 1 JKGF Cc1ccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)c2)cc1F 587144563 ALZJCKCUVNJNGV-UHFFFAOYSA-N 462.846 8.655 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)O2 587375820 USMWYFKDFWBZSJ-DEOSSOPVSA-N 499.792 5.473 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O 587418461 QSURVOUILHAQLW-GBXCKJPGSA-N 486.793 5.747 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)CC2=O 587464908 YZBJIORPHUKSQX-OAQYLSRUSA-N 465.859 5.044 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 587672515 GJFOLWWUNSZHMZ-SZNDQCEHSA-N 482.235 5.361 50 1 JKGF COc1ccc(C)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673535 NVFQHLABTCXVLR-CWTRNNRKSA-N 457.181 5.078 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587857787 UXUITDKIEIOOFS-CGOMCAORSA-N 478.818 5.534 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1)C(F)(F)F 962763498 KQFICTVUSZMZPC-GUYCJALGSA-N 457.106 5.686 50 1 JKGF C[C@@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857582975 TZDRJLMYMKRMGB-MRXNPFEDSA-N 465.362 6.131 50 1 JKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(OC)cc1)OO2 64447046 VSVDPGNMLOJDQJ-ZATZZNNRSA-N 469.581 6.583 50 1 JKGF CC(C)(Br)[C@@H](Br)CC/C(=C\CBr)CBr 73242462 NCKWUVDGCBCHTE-QRJSTWQJSA-N 455.854 5.420 50 1 JKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587322930 PQXHKSJZTJVZDO-RCZVLFRGSA-N 481.317 6.235 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)CC2=O 587462344 YMVWOXOFOBBYSV-RUZDIDTESA-N 468.937 5.760 50 1 JKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(CBr)c1ccc(C(F)(F)F)cc1 962702160 MBHMTCOTPWPFQW-OXJNMPFZSA-N 474.361 5.847 50 1 JKGF CC1(C)CC(=C[C@@H]2[C@H](O)C[C@]3(C)[C@H](Br)CC[C@](C)(O)[C@H]23)CC[C@H]1Br 2356551038 YBUXHLOZPRIUQN-YQOLBYLXSA-N 464.282 5.198 50 1 JKGF Nc1ccc2c(c1)N(C(=O)c1cc3cc(NC(=O)c4cc5ccccc5o4)ccc3[nH]1)C[C@H]2CCl 5582388 DEBRBJYFWAWRNH-QGZVFWFLSA-N 484.943 5.731 50 1 JKGF C[C@H](C/C=C\C(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 96888341 QVDQRPBOZUHTCX-GGXSAIRCSA-N 458.727 7.637 50 1 JKGF CC(C)CCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586974153 RLAOCBMWOJBDKB-CQSZACIVSA-N 480.244 6.797 50 1 JKGF Cc1ccc2c3c(cc([C@H](Br)Cc4ccc(F)cc4F)nc13)-c1ccccc1C2=O 586995465 KZSQGVVUWAPYDL-HXUWFJFHSA-N 464.309 6.712 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2Br)[C@H]1c1ccc(F)cc1 587324387 YHQAOQSCWBUFAI-GMAHTHKFSA-N 475.741 5.873 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C 587326516 LQSKIZVITVMSKG-RPLLCQBOSA-N 499.966 5.810 50 1 JKGF COc1cccc(-c2cc(-c3oc4ccccc4c3NC(=O)[C@@H](C)Cl)nc3c2oc2ccccc23)c1 587357438 IXUVFEBTIPUEAL-MRXNPFEDSA-N 496.950 7.636 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)CC2=O 587460943 LFHDNDFJHGSGSC-IBGZPJMESA-N 479.239 5.897 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Cl)c1Cl 587538270 OMUJAJONUSENJH-DYESRHJHSA-N 480.141 5.951 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2Br)N1 587680115 SJCNMUFBFVKUDP-ZMZPIMSZSA-N 461.600 5.562 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1)C(F)(F)F 962763500 KQFICTVUSZMZPC-SUMWQHHRSA-N 457.106 5.686 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1 963009332 MCQIVZAFQOIBFX-QFIPXVFZSA-N 477.855 5.810 50 1 JKGF C=C(C)[C@H](CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C)OO 2356448925 UWIHHQICCZWZDL-WXXFXLFRSA-N 492.741 5.969 50 1 JKGF Cc1ccc2c(COc3ccc([C@@H]4[C@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)cc(=O)oc2c1 45299857 FQIRNWLBTUZKIT-LOSJGSFVSA-N 480.347 6.029 50 1 JKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 64448146 CCWPRPICTUHLDI-FHZBLKBXSA-N 470.396 7.463 50 1 JKGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325251 DAWATAVEFQNBDZ-SQJMNOBHSA-N 471.912 5.146 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)no1 587326344 LDLIOJWBRLMAJK-AZGAKELHSA-N 480.923 5.728 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)CC2=O 587462309 XSIHXAVVUXADIT-NDEPHWFRSA-N 464.005 6.340 50 1 JKGF O=C1C[C@](CBr)(c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 587506400 JLGSQVGMZLITRB-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 587676741 GBDCQEWUXKLMMW-PJYBLOJUSA-N 461.600 5.756 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684570 LBUCUEXRMFFYAM-PEBXRYMYSA-N 467.810 5.589 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587685067 RYXSIWPWWSZTNJ-YYUOZPCZSA-N 484.752 5.338 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCBr)(c1ccc(Cl)cc1)NCC21CCOCC1 963193880 VWCAQLNAKMIVJR-DEOSSOPVSA-N 494.857 5.427 50 1 JKGF CCS(=O)(=O)[C@H](Cl)[C@]1(c2ccccc2)c2ccccc2CCN1[C@H](C#N)c1ccccc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c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)cc2F)[C@@H]1c1ccc(F)cc1 587329942 FXJNETZLYBSXSB-IRLDBZIGSA-N 481.239 5.598 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 587372525 MCRHJCVKUOYGHK-WHDAMIPWSA-N 495.362 5.250 50 1 JKGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587673939 RTVLOWXFUQMISJ-XTZNXHDOSA-N 477.599 5.423 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587673946 RVFXCFJFZRDXLN-IQMFZBJNSA-N 495.274 6.809 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587681721 ADXQQKHXSZJSGK-MCMMXHMISA-N 467.810 5.589 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587707815 XGICSASEGYCIRY-ZSSDLHNXSA-N 464.684 5.105 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962714545 PCNJBZMLBSUVHV-KBMIEXCESA-N 461.046 5.555 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCC4CCCC4)cc3)(C(F)(F)F)C2)cc1 1772609705 BSYIEGGHVGXRTL-SANMLTNESA-N 468.519 6.209 50 1 JKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1772626451 YMVFMEJSPJLVTH-LGSWKQLXSA-N 484.980 5.345 50 1 JKGF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@H](C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C 2356448511 FYBDWRRBWHRIAY-UDVHLOAXSA-N 476.762 5.337 50 1 JKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=CC=O)[C@]3(C)CC[C@H]2[C@]1(C)C(=O)O 2356485356 DCAWWGHVIJZCKX-MOXCRXTLSA-N 482.617 5.389 50 1 JKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2[C@@H]4[C@@H]([C@@H](C)OO)CC[C@@]4(C)CC[C@@]23C)C1(C)C 2356499786 KHDIRIGQBDNIRR-XPSXRNBTSA-N 488.753 7.898 50 1 JKGF O=C1CSc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 587042815 HJOQSSPJJBVRTF-UHFFFAOYSA-N 486.285 6.694 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(C=NOCc3ccccc3)[nH]c2c1 587191316 YGCBKFBVJSYHPT-UHFFFAOYSA-N 456.234 6.534 50 1 JKGF O=C=Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587337452 OEERPJCIROSIKO-XTEPFMGCSA-N 451.453 5.801 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)no1 587546832 YCGXOFZBAHLMGB-DHLKQENFSA-N 464.905 5.192 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 587673793 PZTZJSAWWSBEOB-FKIZINRSSA-N 453.193 5.250 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587674067 SLAKHCXMAQTTIF-HUTHGQBESA-N 482.018 6.068 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1CCCO1 587689195 QVIMCFYIJLTVIU-GZOOOWMASA-N 469.826 5.202 50 1 JKGF N#C/C(=C\c1cccc2ccccc12)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884217 IHINWPPMTMXBCC-YZSQISJMSA-N 495.409 6.921 50 1 JKGF CN/C(SCc1ccc(F)cc1)=C(\C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957654768 MJTFPQYDXZTFAO-GNVQSUKOSA-N 494.595 5.848 50 1 JKGF Clc1ccc([C@]2(CBr)NCCc3cccc(Cl)c32)c(Br)c1 963390035 DWYRGEWGYHHRBU-INIZCTEOSA-N 450.001 5.540 50 1 JKGF CC(=O)c1csc([C@]2(CCl)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963853290 GJFKDIJNOUKTJJ-HOYKHHGWSA-N 478.010 5.378 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(C#N)cc(-c3ccc(C(F)(F)F)s3)c1)(C(C)C)C(C#N)=C(N)O2 1772617977 SPNNSIVYARLBSM-QFIPXVFZSA-N 469.492 5.365 50 1 JKGF C[C@H]1CC[C@H]2CC3=C4CCC[C@@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356646016 NBTVKSMHLQISOW-SYVXNQIGSA-N 475.768 6.208 50 1 JKGF CC[C@H]1Oc2oc(cc(=O)c2Br)CCCCC#CCC=CCC=CC[C@H]1Br 2356668557 UGBPUPWKCCXBOM-UYAOXDASSA-N 498.255 6.336 50 1 JKGF COC(=O)c1cccc(C#C[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c1 8860373 KCKPDQZCERZALD-NDEPHWFRSA-N 465.489 5.085 50 1 JKGF CSc1nc(Nc2cccc(Br)c2)c2cnn(C[C@@H](Cl)c3ccc(F)cc3)c2n1 28862133 VHLDCFYRQZGLBG-QGZVFWFLSA-N 492.805 6.174 50 1 JKGF CCO/C(O)=C1\C(CSc2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802488 QZNLLVOQVKZVFD-FBNDGMMSSA-N 492.950 7.293 50 1 JKGF Cc1cccc(C)c1C(=O)Oc1ccc(N(CCBr)CCBr)cc1 95719675 TZYLXYZBEHLNSG-UHFFFAOYSA-N 455.190 5.119 50 1 JKGF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587042048 HEBNSNHTOKHEAU-AWEZNQCLSA-N 455.861 6.529 50 1 JKGF COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br 587319194 AQCBNDAOPDICFZ-FYYLOGMGSA-N 491.740 5.796 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325051 WJLWKXPHTLJUPJ-LSYYVWMOSA-N 470.883 6.193 50 1 JKGF CCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325753 HAVYQEFNDCEHGY-ILBGXUMGSA-N 453.897 5.373 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587686358 UNFDKJSFFHEWFO-DMZKTXOQSA-N 460.778 5.738 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(Br)Br)N1 587850409 YVJWODSLNUHMQH-AYVTZFPOSA-N 498.053 5.543 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cc(F)ccc1Br)N(C)[C@H](C)C2 962615935 APELDSXCXVTLGM-ODXCJYRJSA-N 487.207 5.120 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@]13C 13834897 IZZCBIODKFDZGU-JBQJSLJHSA-N 491.672 6.435 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447644 JMRSKSDTQRQDGN-AMJODMLRSA-N 488.531 5.964 50 1 JKGF CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 136996411 ABQSCSIGRMJZCY-POYFKAEMSA-N 490.725 5.584 50 1 JKGF COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl 587325960 ILVDPZSDUONQEN-UKILVPOCSA-N 456.897 5.562 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 587375440 SKSHZQNECSRRJT-VWPQPMDRSA-N 459.336 5.557 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccccc2)no1 587537769 KAMHAKAGDXDHFW-URXFXBBRSA-N 478.298 5.299 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCCBr)N1 587674315 WABMRLIFGGTWJY-BLVKFPJESA-N 457.181 5.160 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@H](C)Br 963016902 CSNTUUKTNRDXIB-OYHNWAKOSA-N 450.442 5.489 50 1 JKGF CC1=CC[C@@H]2C(C)(C)[C@H](Br)CC[C@@]2(C)[C@@H]1Cc1cc(O)c(CC(=O)O)cc1O 2356438907 XKOLGDSEOPITRU-NNHNJENNSA-N 451.401 5.440 50 1 JKGF C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356495828 GUPQNHIGLNUBOG-HYIPXTEKSA-N 452.679 7.074 50 1 JKGF CC(C=O)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356706446 FTQSFEZUHZHOAT-UHFFFAOYSA-N 482.752 10.224 50 1 JKGF COc1ccc(/C=C/C(=N/NC(=O)N/N=C(/C=C/c2ccc(OC)cc2)C(C)C)C(C)C)cc1 16958447 XWIYUBIKBZDADU-QDEGCUTNSA-N 462.594 5.754 50 1 JKGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)[C@H](F)Cl)cc1Cl 31500192 VQXGNWBYRQGHJW-AWEZNQCLSA-N 459.223 5.799 50 1 JKGF CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 104010173 XGWVTPUCVOPVOF-JOCHJYFZSA-N 463.584 5.592 50 1 JKGF COc1ccc(N[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 137070634 AWDHRXBPSMEKSE-VQOXFBBASA-N 457.489 5.248 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cnc4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055091 JTUGYYDENJDSHY-GZTJUZNOSA-N 458.352 6.890 50 1 JKGF Cc1cccc(NC(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C 587239217 MCYGOVFASPTAKV-UHFFFAOYSA-N 484.288 6.781 50 1 JKGF C[C@H](Br)C1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320698 GVQLWMROBPIKLA-DINDLPBHSA-N 472.148 5.196 50 1 JKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587498069 LWHAUSUYBOKKAF-LJAQVGFWSA-N 478.032 6.335 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587677912 AXWWSGAOZXOOCF-FATZIPQQSA-N 458.758 5.793 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 587859877 YOKOBOFINIYDOG-QRVQBPJGSA-N 464.791 5.474 50 1 JKGF COCCCN1CCc2ccc(OC)cc2[C@@]1(CBr)c1ccccc1C(F)(F)F 961326891 SIWFQFLPHGLVQU-OAQYLSRUSA-N 472.345 5.247 50 1 JKGF O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O 299857245 DZGVVDVEFOAAGD-UHFFFAOYSA-N 493.804 5.527 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cncc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056887 SJFFHPBLKJZABA-VGOFMYFVSA-N 487.188 6.499 50 1 JKGF COC(=O)c1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cn1 587057044 TVRGONPAKQJWSF-NVNXTCNLSA-N 466.328 5.523 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587320939 BWDWGHFNUXKOOJ-GGAORHGYSA-N 475.741 5.873 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)c2ccccc2)N1 587672955 JCDMVFNYRSSWJP-RNODOKPDSA-N 455.209 5.690 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 587687816 IMRWOFZOKXNVQD-CHVDNLQBSA-N 487.800 5.612 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587714510 VSFNUCBBPCRWJQ-LIBAHTEVSA-N 495.152 6.168 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c2ccccc12 587876425 FNGMEDWPBYTOKL-UHFFFAOYSA-N 461.186 5.752 50 1 JKGF CC(=O)O[C@@H]1C(C)=C2CC[C@](C)(Cl)[C@H](Br)C[C@]2(C)[C@@H](C)[C@H]1Br 2356503539 LCWJRZIFKUXWLD-GPJUBECRSA-N 456.646 5.599 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 2356672584 QGDQJFKTMDHPQG-BZNJIEDMSA-N 491.200 9.245 50 1 JKGF N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933486 ZIXKJYABEQAWKV-DQEYMECFSA-N 491.938 5.564 50 1 JKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299861768 ITNNVSSMYYIQEH-UHFFFAOYSA-N 475.932 5.839 50 1 JKGF Cn1ccc(=Nc2ccc(Sc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 377400181 SNJIBKRFPQVEAN-UHFFFAOYSA-N 482.480 6.846 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057652 WAXSNAZAEXYSKO-DHDCSXOGSA-N 491.300 7.240 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587685301 PMVGCPIUOWZDPH-ZRNGKTOUSA-N 458.158 5.445 50 1 JKGF CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C(C)(C)C)c1O 587920887 PQNCPCOSHNXLDO-ZDLGFXPLSA-N 451.035 7.828 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1[C@H](C)c1ccccc1 962719325 YQHMUQQJNUGRIY-XCIGCYOISA-N 483.096 6.699 50 1 JKGF COc1cccc([C@@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962723024 ZRFYTSCBDJYJJM-RLWLMLJZSA-N 462.074 6.631 50 1 JKGF Clc1cc(Cl)c2c(c1)[C@](CBr)(c1ccc(I)cc1)NCC2 963100467 BBHJCQLMKHSGKH-INIZCTEOSA-N 497.001 5.382 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)OO 2356345995 GMYOLHJETWNFPY-OGBLIXCUSA-N 472.710 6.982 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)Cc1csc2ccccc12 13492727 CBBZAZSQKGEJOQ-UVHMKAGCSA-N 493.972 5.214 50 1 JKGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 45350267 OJKZCWSHKCENPB-KBKYJPHKSA-N 477.830 5.478 50 1 JKGF COc1ccc(NC(=S)NNC(=O)CSCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 299837101 PPOKKYCFTOKTCM-UHFFFAOYSA-N 489.707 5.247 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)CC2=O 587461786 SXBZOTHGFTUQEA-LJAQVGFWSA-N 489.999 6.037 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1(c2ccccc2)CC1 587537412 FDKNUUQPVXCIGJ-RDPSFJRHSA-N 451.316 5.219 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587545662 RZRFLUPJOJPXHM-NVQXNPDNSA-N 463.917 5.108 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2Br)N1 587674666 YUTUWHZFDJOCRY-BTDLBPIBSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(Br)cc2)N1 587676692 FJUWHNRQLLKTOS-VOJFVSQTSA-N 461.600 5.562 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587688203 JRDRKXVVHFFNMO-NPALWHDTSA-N 475.833 6.401 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2sccc2Br)N1 587844371 NLXKXJKTIMJBQO-FVMDXXJSSA-N 476.234 5.404 50 1 JKGF O=C(Nc1cc(Cl)ccc1Cl)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621431816 OQCOQLFPHFQFMM-OBWMUBNESA-N 468.377 6.312 50 1 JKGF COc1ccc([C@]2(CCCCCCCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1OC 962568940 LUHJADBVNDMXOJ-XHCCPWGMSA-N 476.057 6.030 50 1 JKGF CCCNNC(=O)c1cccc(CN(CCc2c(C)[nH]c3ccccc23)C(=O)OC(C)(C)C)c1 1857578367 XWDIWEIGCUIFRS-UHFFFAOYSA-N 464.610 5.101 50 1 JKGF CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC=C(C)C)c1=O 221581484 NCBXXHDQUFMSRJ-UHFFFAOYSA-N 469.626 5.355 50 1 JKGF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586945340 GXLOWKGXOWYABX-CYBMUJFWSA-N 497.511 5.653 50 1 JKGF CCCn1cnc2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc(Br)c21 587003989 OIVZCIKHVQLKDT-UHFFFAOYSA-N 481.288 7.410 50 1 JKGF O=C1C[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1 587496868 AFMWCDWDEJEDQE-HXUWFJFHSA-N 495.167 5.492 50 1 JKGF Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587530774 DVMRZYDOKWOKFZ-RUZDIDTESA-N 469.990 5.012 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587546907 YWKVXBJEWZHGCN-ATIYNZHBSA-N 465.933 5.372 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2ccc(F)c(Br)c21 587672287 ZIPCSMWBDPWIGL-SMDDFHAHSA-N 496.218 5.034 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Br)cc2)N1 587845845 OKZVLASRSQABLF-ADLMAVQZSA-N 470.205 5.343 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CCCCCl)(c3ccnc(Cl)c3)N12 962657316 BJIWQOSSGFFUHL-BJKOFHAPSA-N 458.389 5.035 50 1 JKGF C=C(CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 2356512024 LUYUXYHXWBFSNU-WFQCBLQXSA-N 458.727 7.803 50 1 JKGF COC[C@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCl 2356571567 VFUSKSIAISUKGN-FGZHOGPDSA-N 466.490 5.716 50 1 JKGF CC(C)(Cl)[C@@H](Br)CC[C@](C)(Br)[C@@H](Br)CBr 195482963 VQJJUSUYXITRKY-NRPADANISA-N 492.315 5.860 50 1 JKGF O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322068 LIMLQPUPQGCPRN-SSPYTLHUSA-N 485.305 5.024 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375152 RGHXNHPXZFWVPN-WSUBETFTSA-N 478.932 5.785 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23c2ccsc2CCN3C(N)=O)N1 962703609 DLZCIBZXHOBKSZ-BKMJKUGQSA-N 462.594 5.278 50 1 JKGF O=[N+]([O-])c1ccc2ccn(CCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 1857537002 GOFHKKGLYJRBMF-UHFFFAOYSA-N 493.567 6.714 50 1 JKGF CC(C)[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198093 SRYRGNIHTZKPTC-SFHVURJKSA-N 463.472 7.186 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 587326869 NGFPBENOHRFGSZ-JTHBVZDNSA-N 465.735 6.721 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418974 FRSXTQSBYNKTDW-SCLBCKFNSA-N 461.661 5.405 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671572 UITPJALMHDIKOT-CRTZDJKQSA-N 475.627 6.111 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587687206 YZBDWEBCTVAOAF-YEBMWUKDSA-N 470.769 5.698 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2F)N1 587720472 RRQUJGFEDZNICE-XTZNXHDOSA-N 479.590 5.897 50 1 JKGF O=[N+]([O-])c1cccc2ccn(CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12 1857537971 JIORUMQGRWJLDR-UHFFFAOYSA-N 465.513 5.934 50 1 JKGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2cc1C 1857602048 LUFCEXBALIOURO-UHFFFAOYSA-N 483.519 5.497 50 1 JKGF CCC[C@H](SSC[C@@H](NC(C)=O)C(=O)O)c1cc(C)ccc1/C=C/CCCC(=O)O 1857628926 IZPIIKDCVJWAGQ-XXGTVTCJSA-N 453.626 5.075 50 1 JKGF COC(=CC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C[C@@H](C)C(Cl)Cl 2356870183 XOEPHLACOYECHC-JFGNBEQYSA-N 482.688 6.057 50 1 JKGF Cn1cncc1CN(Cc1cccc(C#N)c1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1 13489038 VKGOMWLKFZGEHR-UHFFFAOYSA-N 486.579 5.250 50 1 JKGF CC(C)(C)N(C(=O)c1ccc(Cl)cc1)N(SOc1ccc(Cl)cc1)C(=O)c1ccccc1 103292124 ABPPNNVTHDTDLT-UHFFFAOYSA-N 489.424 6.934 50 1 JKGF COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 169304513 YCWNSSLCHYTWSQ-OYAQGEGBSA-N 478.557 5.045 50 1 JKGF Brc1cccc(/C=C/CSSC/C=C/c2cccc(Br)c2)c1 473112654 DBPTXMOCQITKPQ-FCXRPNKRSA-N 456.268 7.320 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328853 WDXWLSBBDYAGHM-RSXGOPAZSA-N 467.924 5.763 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1oc3ccccc3c1CBr)CC2=O 587457197 VZXKVBVPKNTURI-MHZLTWQESA-N 491.381 6.895 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549020 PJELKQRRZDEJRE-NCNFXNTHSA-N 493.275 6.052 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587683422 HAPUQTVRAPGBSD-FIKIJFGZSA-N 465.750 5.309 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 587716922 KCFQCIAXCQTIDT-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF BrCCCc1ccc(-c2ccc(-c3ccc(CCCBr)s3)s2)s1 1772600292 XAQRACBPPWQYPT-UHFFFAOYSA-N 490.351 7.860 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 587056180 ZOHDRHDLBFCPNY-SNAWJCMRSA-N 494.110 8.460 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587319500 BXSPJSCTVLMKFN-RBBKRZOGSA-N 472.266 5.089 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587460000 KHXPAMZGORMBGF-MUUNZHRXSA-N 457.054 7.737 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1COc2ccccc2O1 587499116 RXMSUMOKXBDLIT-KCWXNJEJSA-N 492.015 5.923 50 1 JKGF Nc1cc(Br)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl 587620455 CFIGJMOAYKMIMR-UHFFFAOYSA-N 454.553 5.557 50 1 JKGF COc1ccc2cc([C@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587673221 LNEKQUSRGFREER-DMZKTXOQSA-N 493.214 5.923 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587683850 IGKBKPKNEVECLJ-DMZKTXOQSA-N 460.778 5.738 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587685775 AZZBJTCEIHIHHU-MYYSRTQBSA-N 475.833 6.321 50 1 JKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(CBr)c1csc2ccccc12 962693227 ARPLWTUJOYKCLN-NYHFZMIOSA-N 462.453 6.043 50 1 JKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1cc2ccccc2nc1O 1772585906 GLMFILSULBDTNA-WKULSOCRSA-N 467.916 5.650 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)[C@]1(C)O[C@@H]1CC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356475118 PWIUYVBRAXUOPC-JMMMPTOISA-N 490.725 5.823 50 1 JKGF COc1ccc(/C(=N\NC(=O)Nc2nnc(COc3ccc4ccccc4c3)o2)c2ccccc2)cc1 53298914 RGJBMGHYBSCAPG-ZXPTYKNPSA-N 493.523 5.385 50 1 JKGF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586946156 HOMBKCQJQBXQJM-CYBMUJFWSA-N 483.484 5.345 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)n1-c1cccc(Cl)c1Cl 587054422 FUXKIJYQYZJKHD-RQZCQDPDSA-N 476.367 6.226 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 587338578 XNSXZNOBJAEHOL-PGRDOPGGSA-N 469.698 6.470 50 1 JKGF N#Cc1ccc([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)s1 962627640 HGWAJHMCQQJAHY-GBXCKJPGSA-N 464.432 5.005 50 1 JKGF CC(C=CC=C(C)C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356640316 XKHIQCGFLUMFAH-PMERELPUSA-N 458.686 8.249 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447684 QORDSPYNXONHLR-VNRABVQOSA-N 472.532 6.948 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccccc1)OO2 64235723 OBQTTZCUGXTGTA-VITGDIARSA-N 451.566 7.309 50 1 JKGF CCO[P@@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 169712592 OBGHHCYRUBRTRT-XIFFEERXSA-N 460.430 5.061 50 1 JKGF Cc1cc2c(cc1C)C(Cl)=C(/C=N\NC(=O)C1=C(Cl)c3ccccc3CCC1)CCC2 299831231 YECZRALHQFTSIE-FDVSRXAVSA-N 453.413 6.678 50 1 JKGF O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587000705 SSPCZJQGAFBZKV-UHFFFAOYSA-N 498.271 5.951 50 1 JKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064288 IIFVUECSLGMTBO-UHFFFAOYSA-N 450.816 7.713 50 1 JKGF COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)n1 587083612 CCGVHCWBWZQBQK-UHFFFAOYSA-N 464.641 6.707 50 1 JKGF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587198458 LCHPVOHXJRAVMV-UHFFFAOYSA-N 468.451 6.746 50 1 JKGF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587239307 VRSQRZFYTJOQOH-UHFFFAOYSA-N 454.468 7.830 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)n1 587373142 GXZPALCFLZSMQE-BVAGGSTKSA-N 496.991 6.197 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(OC)c(OC)cc1Cl)CC2=O 587455982 IFZYEVDMNDABNR-NRFANRHFSA-N 469.759 5.271 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587542013 FGCYSZKYDVKGJO-HFZDXXHNSA-N 465.933 5.473 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544193 NBTPLSCLDSMVCO-BVRTZSTKSA-N 465.933 5.471 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671571 UITPJALMHDIKOT-CLUVUEOHSA-N 475.627 6.111 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587684039 JQZLMYCWDIXAHV-YHAMSUFESA-N 497.839 6.764 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687811 IDTYIKNVGFWWKD-XDEPDNQISA-N 467.810 5.588 50 1 JKGF COc1ccccc1[C@@]1(CCCCCCl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963196607 QPKVOZBALTUCIF-XRKRLSELSA-N 459.033 6.861 50 1 JKGF N#Cc1cccc(Nc2ccccc2SSc2ccccc2Nc2cccc(C#N)c2)c1 1856428 BJQOPCUTOBUGRG-UHFFFAOYSA-N 450.592 7.717 50 1 JKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 64448148 CCWPRPICTUHLDI-INZYDCRUSA-N 470.396 7.463 50 1 JKGF O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285248 DCPYPUFLETUZTK-UHFFFAOYSA-N 467.594 5.095 50 1 JKGF CC(=O)OC1=CC[C@H]2C[C@@H]3C(=C(O)c4c(O)cccc4[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 194953863 RFLQJTRSEXSOHC-LVRNZMHGSA-N 470.638 5.800 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497168 KXCAEEFIQYGLCV-YTTGMZPUSA-N 493.002 7.520 50 1 JKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507193 UUUIXECKRVOEGU-SIKLNZKXSA-N 451.763 6.088 50 1 JKGF COc1ccc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587539221 UWTLYSOAKMVMRO-OZXSUGGESA-N 491.337 5.806 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2cc(Br)c(F)cc21 587670572 LLGDEQRLNJDMSR-SMDDFHAHSA-N 496.218 5.034 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587684044 JTJSZISXZNCTIB-DMZKTXOQSA-N 467.810 5.589 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 587685885 BRMYLUHMHWQFAI-IVCQMTBJSA-N 489.860 6.266 50 1 JKGF C[C@H](Cl)[C@]1(/C=C2\N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587688662 MYCWCCYEVOXJKC-IJLLCWBESA-N 477.849 6.257 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962626570 BWORVUMUAIFTOH-JGNKLCKRSA-N 459.077 6.602 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C)OO 2356616359 UNYVZURFRUMMAD-MUMVRTJOSA-N 492.741 5.969 50 1 JKGF C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@H]2c1ccc(Cl)cc1 96934102 RMDDYMMKWGUZEP-RELGLDOUSA-N 460.913 5.645 50 1 JKGF CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)C(C)(C)C)cc(C(C)(C)C)n1C 113478170 BJOFJFSNABMDHG-ZTKZIYFRSA-N 495.590 5.173 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587323824 UOPGJFRMNYVFEX-RBBKRZOGSA-N 461.714 5.834 50 1 JKGF Cn1c(O)cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587329594 YPYSLCRYFTVFAJ-UKILVPOCSA-N 451.881 5.222 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329844 FPNPRKLAFOEWEA-AOHZBQACSA-N 491.303 5.933 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(F)c2F)[C@@H]1c1ccc(F)cc1 587330618 HUKISFUXLTVOIY-XMSQKQJNSA-N 481.239 5.598 50 1 JKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587498041 LWHAUSUYBOKKAF-GDLZYMKVSA-N 478.032 6.335 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N=C=S)cc1 587614271 ROKUZRISOGEXGW-SQHAQQRYSA-N 451.503 6.032 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587687818 IMRWOFZOKXNVQD-NFKSOIJDSA-N 487.800 5.612 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 587851244 HVSSISRCPKWELW-MCMMXHMISA-N 481.862 6.133 50 1 JKGF Cc1cc2c(cc1F)[C@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)NCC2 962088071 CGSXLKCKXFEVNV-PMERELPUSA-N 473.035 6.818 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@](CCCCCCCl)(c2ccc(C(F)(F)F)cc2)N1)C(F)(F)F 962727799 AXDBVIADCTYKHR-UNMCSNQZSA-N 491.903 6.784 50 1 JKGF O=C(OCCCCCCCCCCCCCCCCBr)c1ccc(O)cc1O 1772609453 NHGZYXCVMDCWHM-UHFFFAOYSA-N 457.449 7.111 50 1 JKGF C[C@@H]1CC[C@H]2[C@](C)(COC(=O)c3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772629700 MKAIIDNMGYFCDM-KMMLGECHSA-N 464.558 5.515 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(OC)cc2)C1=O 1857773330 UBISHSASSXNLKV-QFIPXVFZSA-N 478.589 5.642 50 1 JKGF CCC[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(CF)c4)nc(-c4ccccc4F)c3CC[C@H]12 1911581640 QSICESQHULUEKN-LZVPSXTNSA-N 484.550 6.083 50 1 JKGF CC(=O)O[C@H]1OC(=O)C=C1[C@@H](O)CC=C(C=O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356707300 PRJYGULWSUVOHQ-AHWVRZQESA-N 458.595 5.268 50 1 JKGF CN(C)C(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)N(C)C)[nH]c2ccccc12 13734675 CFTJYIOLGANXGV-UHFFFAOYSA-N 494.686 5.490 50 1 JKGF O=C(NN=C(c1ccccc1)c1ccccc1)Nc1nnc(COc2ccc3ccccc3c2)o1 53294913 WMYCMUKZQILHLC-UHFFFAOYSA-N 463.497 5.376 50 1 JKGF C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C=C2[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 199372482 YZNCTNKIUOZJOX-YLDAVFAZSA-N 489.656 5.741 50 1 JKGF CC1(C)C/C(=C\[C@H]2[C@H]3[C@](C)(C[C@H]2O)[C@@H](Br)CC[C@@]3(C)O)CC[C@@H]1Br 206001349 YBUXHLOZPRIUQN-JCQBIWEOSA-N 464.282 5.198 50 1 JKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Br)s3)nc3cccc1c23 587207951 JHOKZJMNDSNILL-UHFFFAOYSA-N 454.776 6.719 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2 587370356 ALFQHWJVPULOCB-XMMPIXPASA-N 497.345 5.320 50 1 JKGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506306 XDKCONATEJMFHD-BRGVFWSASA-N 451.364 5.158 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC3)N1 587672801 IADZJHWDXUMZEP-ODXCJYRJSA-N 453.193 5.250 50 1 JKGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653700751 WRUFJZDDNCPIJG-RWPZCVJISA-N 453.889 5.369 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]12CC(C)(C)CC1=C2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 963241899 OMVWCROXPRZPOF-BDGIHFKJSA-N 488.075 6.774 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]12C)OO 2356559040 VNMYLOSUYWAAHM-FGVNSYQUSA-N 476.742 6.998 50 1 JKGF O=C1CSc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 587373595 MGPLYYMBTTWLMO-LADGPHEKSA-N 469.921 5.069 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539982 ZELVRJIDEHHNEO-AWRGLXIESA-N 469.331 5.431 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cc(F)cc2F)N1 587720108 MQOVXRBGZKTRTJ-CQLKUDPESA-N 467.098 5.178 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2sccc2Br)N1 587845033 QGQHFYGPTIQHEB-ANRSDYALSA-N 453.602 5.429 50 1 JKGF 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)OO4 2356534033 VVDFOIZUJIWFEH-XPAOSHGUSA-N 470.694 7.044 50 1 JKGF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356574501 BRCSFJAWHNPAMY-IAEWJPHXSA-N 465.118 6.002 50 1 JKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356653245 HOEKKUSLHOOASY-YSAHSXKBSA-N 487.779 6.080 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H](C)/C=C/CC(C)C)CC[C@@H]4[C@]34C=C[C@@]2(C1)OO4 255220818 JDISOLPITHCEHV-DCIQOYESSA-N 456.667 6.798 50 1 JKGF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586935862 JFFMDKLYKUOISS-OAHLLOKOSA-N 487.541 5.993 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587009898 WZRUAFVGASCRQL-INIZCTEOSA-N 499.718 5.464 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587457256 XAUFRLOPNRJIEG-WNSKOXEYSA-N 482.415 5.091 50 1 JKGF O=C1C[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587508971 URTUYGWAGXPZSZ-HXUWFJFHSA-N 458.154 6.267 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)ccc(F)c1Cl 587556369 OGIVDDQNPSEOLU-UWJYYQICSA-N 498.131 6.090 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Br 587612228 IYGMCUAGYTWDTF-HNAYVOBHSA-N 496.176 5.468 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587737407 ZQHUWCZVLOFRCJ-CFMSYZGJSA-N 499.149 5.006 50 1 JKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(Cl)c(Cl)c1Cl)N(C)[C@H](C)C2 962574327 UGWOCHFMBZPTMX-GIPWTMENSA-N 493.656 6.179 50 1 JKGF O=C1c2ccccc2[C@@]2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2ccc(CCl)cc21 962707141 KIKBGUWQVVKKQX-XUZZJYLKSA-N 489.852 5.019 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1cc(OC)c(OC)cc1Br 963229164 NHBMKFWWUANBHL-QRQCRPRQSA-N 497.271 5.761 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 2356670089 ZROQCPFOIGVEOJ-LIZHAOKLSA-N 452.679 7.045 50 1 JKGF ClP1(Cl)=NP(Cl)(Cl)=NP(Nc2ccccc2)(Nc2ccccc2)=N1 84596579 OBHXMYLKMDYUDK-UHFFFAOYSA-N 460.997 9.018 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1ccc(F)cc1Cl 84619050 KEFPOGQFNBBFCS-ZMFRSBBQSA-N 452.942 5.271 50 1 JKGF CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C[C@@H]1C 587326712 MVWWNILMHCODOE-SFLYKWJJSA-N 479.935 5.322 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(CBr)cc1)CC2=O 587455748 FKYRJOIDCAFYHH-VWLOTQADSA-N 451.360 6.149 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl 587546820 YAFYCZNZJAOVNM-DYESRHJHSA-N 470.135 6.360 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587674339 WHCVWQHPCYNBCY-APBUJDDRSA-N 487.594 6.161 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 587674585 XRNPSAYDUJTTPJ-CMJOXMDJSA-N 489.226 6.309 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587682427 CHEBPRMZQZWPDV-YHAMSUFESA-N 497.839 6.764 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 587688764 NZMSTJXVTIYMKK-JWCBKOKGSA-N 461.766 5.218 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(OC(F)(F)F)c1 587892015 VSTBFVXWTAPZMJ-UHFFFAOYSA-N 459.276 5.337 50 1 JKGF N#C[C@@H](c1nc2ccccc2s1)[C@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957541 NFUUUQWVHWGXJH-SBUREZEXSA-N 491.966 5.708 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccccc1)c1ccccc1NC(=O)C(C)(C)CCl 963605542 GEGAFVRIKMSCAZ-SONOPUAISA-N 493.047 5.733 50 1 JKGF Oc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1 1637751 OTJXTZBEGXQROZ-UHFFFAOYSA-N 469.378 7.806 50 1 JKGF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CN(CCCl)CCCl)C[C@H]21 29227255 MZSOQYHSESZDDH-XZOQPEGZSA-N 496.519 6.715 50 1 JKGF Cc1ccc2c(c1)Cc1c(C(=O)NNc3ccc(Cl)cc3)nn(-c3ccc(Cl)cc3Cl)c1-2 35075487 XIRMLTBPRIRYQJ-UHFFFAOYSA-N 483.786 6.469 50 1 JKGF C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 43677109 JAIQFWYEDUGGJA-CQSZACIVSA-N 495.171 5.340 50 1 JKGF CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 53294233 OONVLKOVKGRXFV-BJKOFHAPSA-N 488.016 5.456 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4[C@@H]5C=C6[C@@H](CC[C@H](OO)C6(C)C)[C@@]4(CC[C@@]3(C)[C@@H]2C1)CO5 238744788 KULQXGKKVLLNHL-YBVHTWAQSA-N 456.711 7.655 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 587008796 XFJVHWVYFLLYHO-UHFFFAOYSA-N 468.039 7.005 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057244 UTMMBFLIUUGNHQ-VGOFMYFVSA-N 486.746 6.903 50 1 JKGF CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587321289 IQJGPHBRZDRSOJ-TUACAJSNSA-N 491.353 5.147 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(F)(F)F)ccc1Cl)CC2=O 587463516 BICSBOYEKATTKH-LJQANCHMSA-N 477.704 6.273 50 1 JKGF O=C1C[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)Oc2c1ccc1c2CCCC1 587496297 BCMUYFAFBIPTPG-XMMPIXPASA-N 477.910 5.112 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497256 IAIBSUSMNLSXQU-WRHNGFHOSA-N 459.973 6.040 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 587616181 YZIQRXMHARKORV-SQHAQQRYSA-N 494.012 6.211 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587683439 HCMFULMKFCHLDV-NPMXOYFQSA-N 452.839 6.683 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cccc(OC(F)(F)F)c1F 963289948 SBQKSVRDHWPGJN-QGZVFWFLSA-N 497.124 5.613 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@H](CC[C@@]4(C)O)C3(C)C)[C@]2(C)CCC1=O 2356336289 KZMOSVHCAINXLS-JLLGZQOZSA-N 488.709 5.409 50 1 JKGF C[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(C(F)(F)F)cc1 43439542 OIQGKZALYSLNLA-ATNSPKSDSA-N 456.501 5.991 50 1 JKGF Cc1ccc2nc(Oc3ccccc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084011 OATDHVBVDGACAF-DEOSSOPVSA-N 451.526 5.786 50 1 JKGF COC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 587054133 CJLHDQZYVVRCBE-GDNBJRDFSA-N 466.328 5.523 50 1 JKGF CC(C)OC(=O)C1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC(F)(F)C1 587131518 LUYLZTDSAOCKEL-UHFFFAOYSA-N 499.246 6.601 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328432 UKTFCJGQHYTYRI-OTPAQWSUSA-N 475.944 5.267 50 1 JKGF CCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538824 RUQBCUQGHSUOSK-QPPBQGQZSA-N 453.332 5.597 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672158 DEMZTEPSTAALPX-HXPMCKFVSA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 587852200 FBTPOMYVXSWERQ-BUTRMIIQSA-N 490.829 5.987 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 587856707 YYQWQYSXHFNQGF-VIQGIDMASA-N 486.410 5.325 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)[C@H](C#N)c1ccccc1 963196840 RNYVTPHHJOGPKO-TWJOJJKGSA-N 456.387 5.707 50 1 JKGF Cc1cccc2c1[C@@H](c1ccc(O[Si](C)(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963856259 VVGPATFQFPPFQO-HYBUGGRVSA-N 469.654 5.935 50 1 JKGF CC(C)(C)NNC(=O)/C(=C/c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)NC(=O)c1ccccc1 1628535 VEVTZLKZIRAXMS-HAHDFKILSA-N 498.410 5.976 50 1 JKGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccc(Cl)cc1Cl 29037317 AMNUYEIZQSOGSC-UHFFFAOYSA-N 455.769 5.558 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447646 JMRSKSDTQRQDGN-CBRWNTNRSA-N 488.531 5.964 50 1 JKGF C[C@]1(c2cccc(C(F)(F)F)c2)CC(c2cccc(C(F)(F)F)c2)=C(C#N)C(=C(C#N)C#N)N1 73258891 QOIPSHGTZXHMJJ-JOCHJYFZSA-N 472.392 6.211 50 1 JKGF Cc1ccc2c3c(cc([C@H](Br)Cc4cccc(Cl)c4F)nc13)-c1ccccc1C2=O 586996945 WTJVJYUQGYWDOK-LJQANCHMSA-N 480.764 7.226 50 1 JKGF FC(F)(F)c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587095386 WMMWSAILOCHBDM-UHFFFAOYSA-N 456.280 7.925 50 1 JKGF [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321348 JBBDFOYPFMAOQE-RBBKRZOGSA-N 468.282 6.122 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)O2 587375578 UNSNDNNFHQXLEQ-PKTZIBPZSA-N 456.767 6.228 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(CCCl)CCCl)cc1 587544704 OVPUJGZQUUNLIT-XUZZJYLKSA-N 458.341 5.379 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 587670570 LLGDEQRLNJDMSR-JWCBKOKGSA-N 496.218 5.034 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 587689511 TYPSWFVNAMESTC-MYYSRTQBSA-N 491.832 5.652 50 1 JKGF Br[C@H]1[C@@H](c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2[C@@H]1c1c[nH]c2ccccc12 653788056 WGWDIZCURQUFTF-SKBVVQJISA-N 466.382 7.171 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100783595 CASWDFLWXWLZCX-DSUPAJHVSA-N 480.985 5.471 50 1 JKGF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586995092 CXNPYYYWPMTKRI-UHFFFAOYSA-N 457.262 7.297 50 1 JKGF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263462 MXVUAZAXPWFGAU-JEZHCXPESA-N 492.264 5.643 50 1 JKGF Cc1cc(C)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587375192 RPVAAFMJDOUKAX-IBGZPJMESA-N 453.174 5.212 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496192 BWUAMFWROXTRSO-LJAQVGFWSA-N 453.066 7.958 50 1 JKGF O=C1C[C@](CBr)(c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 587507706 NYPOBCKFTFWAQV-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF Cc1cc(C)cc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587564014 DZSJKASXGGUKOE-UHFFFAOYSA-N 457.262 7.179 50 1 JKGF CSc1ccc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1 587924796 JUNPNRKCXCALGT-UNOMPAQXSA-N 462.684 7.897 50 1 JKGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccccc1Cl 653778065 MSUXEWJYJYFOGR-CCVNUDIWSA-N 464.312 5.095 50 1 JKGF Cc1c([C@]2(CBr)NCCc3c2c(C(C)C)nn3C)sc2ccc(Cl)cc12 962916022 WMTIQHXNIJWHBU-HXUWFJFHSA-N 452.849 5.504 50 1 JKGF C=C(CN(CCCl)CCCl)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O 29226277 VJRHZZAEYOXPLQ-FCHUYYIVSA-N 454.482 6.606 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccccc3-c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44053369 ACFGUMGRSLMQJD-SEQOJFOPSA-N 450.575 6.078 50 1 JKGF COC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(Br)Br 72170812 PPQKGLHBYNTUSR-UHFFFAOYSA-N 459.081 5.404 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933828 FJIXBUVJHWFLHP-UAGBHOFDSA-N 463.622 5.363 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(C)cc5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 118921516 XWPIBHHJEAXOEM-DONKYQMBSA-N 498.667 6.188 50 1 JKGF Cc1nn(Cc2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267345 JCURFICAMPTSRA-UHFFFAOYSA-N 473.427 6.657 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 587328896 WIKJYXLHZIJLRE-AZGAKELHSA-N 465.908 5.151 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)F)c2)[C@H]1c1ccc(F)cc1 587332336 SAJLULKTFSBXMP-NZQKXSOJSA-N 493.275 5.782 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)O2 587382188 JWMURGMLTIDVFG-PUAOIOHZSA-N 474.935 6.074 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O 587421674 QXMAFJAACDIGIP-KSSFIOAISA-N 495.213 5.771 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1Br 587541382 UDTLIKUPEPMNSG-NZQKXSOJSA-N 473.750 5.867 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541715 DFIVGHGKJCMZNL-RDGATRHJSA-N 451.906 5.227 50 1 JKGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)Cc3ccc(CBr)cc3)c2c1 587649061 OVOPAMZPTMTFMB-UHFFFAOYSA-N 498.398 5.281 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 587688369 LZMBNXIDIAAQNH-WHEQGISXSA-N 462.794 5.407 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Cl)N1 587843827 KMMCZCNQMONEFV-VXJOIVPMSA-N 453.602 5.476 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1ccc(F)cc1)N(C(=O)c1ccccc1N)CC2 963162741 YRSHLARMNLTVQZ-NDEPHWFRSA-N 497.010 5.776 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(c4ccc(Cl)cc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105486 YUZBMFVGQHUSFQ-OKGDRXONSA-N 491.072 5.103 50 1 JKGF CCc1cc(O)nc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 586966968 QMTBHKKWIYGPEY-UHFFFAOYSA-N 491.305 6.333 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)CC2=O 587460319 LTDQVGKYGBRVSV-SANMLTNESA-N 453.966 5.491 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 587687819 IMRWOFZOKXNVQD-PKAUSPCKSA-N 487.800 5.612 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2C(F)(F)F)N1 587711321 JWLDBTZVBDDIFF-QGHHPUGFSA-N 481.125 5.780 50 1 JKGF CCN(CC)c1ccc([C@@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc1 621477862 RGLAKHHGNLHBEQ-HSZRJFAPSA-N 486.929 5.584 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(F)c2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963168115 GBHCMSYQTZTKIM-CJHVETNYSA-N 480.683 5.124 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963199293 XKZKLPGJFFLKLU-WMDMVVLCSA-N 475.386 5.565 50 1 JKGF CCCCCCCC/C=C\CCCCCCCCOC[C@@H](COP(O)(O)=S)OC 65731661 FEHMGBUAJYEJMW-YRBAHSOBSA-N 452.638 6.281 50 1 JKGF in-vitro CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cccc2/C=C(\C#N)S(C)(=O)=O)c(C(C)C)c1 66166045 JOLZDRMALWOYGV-DEDYPNTBSA-N 462.637 5.004 50 1 JKGF COc1cccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)\C2=C(\C#N)C(N)=O)c1 96916457 SAYADAVUXKQNKC-RBSBALNMSA-N 472.629 5.318 50 1 JKGF COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 100783065 YCWNSSLCHYTWSQ-HLZVGTAASA-N 478.557 5.045 50 1 JKGF N#Cc1ccc(C(F)(F)F)cc1N=NN(C(=O)CCl)c1cc(C(F)(F)F)ccc1C#N 253638172 ORMPMFMRLNBBRW-UHFFFAOYSA-N 459.737 5.738 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054218 DBCPNYABQPHJLJ-FGWWRKRSSA-N 465.344 6.065 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)O2 587375574 UNSNDNNFHQXLEQ-DHIUTWEWSA-N 456.767 6.228 50 1 JKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499540 VELNKWJBQIDRRG-MUUNZHRXSA-N 471.940 5.196 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587672140 DAOOZTBRYOHEQG-QPFGOUBPSA-N 497.033 5.650 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)c2ccccc2)N1 587674065 SKHGNARVIBGIIJ-IEKZBVHVSA-N 489.226 6.502 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587683403 GVSYYZNJDWGDGB-LZVRBXCZSA-N 471.153 5.710 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587684762 MCIHSMILIISTNU-RZFZLAGVSA-N 470.769 5.698 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Br)cc2)N1 587845847 OKZVLASRSQABLF-VOJFVSQTSA-N 470.205 5.343 50 1 JKGF C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 2356745414 XJMCXAZKIBJUJN-PQNCETMFSA-N 473.806 6.462 50 1 JKGF C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C 28473147 VCQYJXWOTVAGQM-NGPGZXAHSA-N 484.721 6.054 50 1 JKGF O[C@@H]1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586905167 YVQNMBGZVMMUKX-BXUZGUMPSA-N 455.246 6.552 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1sc4ccc(Cl)cc4c1C)[C@@H](C2)C3=O 587449999 CVGNTJWFJILNEI-YCRPNKLZSA-N 463.780 5.910 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)CC2=O 587450605 GMZKZRHAOLOKSB-RXVVDRJESA-N 467.743 5.097 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1F 587502171 IHUSPMSLQRJBQM-HHHXNRCGSA-N 451.969 6.520 50 1 JKGF CSc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1NC(C)=O 587615810 YYSMCBNQOFASTN-QPPBQGQZSA-N 469.946 5.168 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2sccc2c1 587618605 OVPYZUCDFMIMED-NZQKXSOJSA-N 467.340 5.859 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 587672219 YFJOIMGGJZIJPH-AYWWYZEGSA-N 485.279 6.318 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686517 VMNHVXPGUHYEDQ-ZINOCKGTSA-N 463.819 5.106 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689017 OQUKJXKNAAEKHM-ZFXASYOHSA-N 471.798 5.115 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 587716081 DIIJAZMFHGMYIX-MZHDDHPNSA-N 495.152 5.761 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@@](CCl)(c1c(-c3cccs3)[nH]c3ccccc13)NCC2 962925556 NSFHODSDNNSTRR-VWLOTQADSA-N 450.007 5.226 50 1 JKGF COc1ccc(CC[C@@H](C)CCC[C@](CN=C=S)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 29473423 OHOGPFWBUZMESP-PZGXJGMVSA-N 499.717 7.157 50 1 JKGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 95593156 PTIBDXMQERZBCH-DYTRJAOYSA-N 463.603 5.262 50 1 JKGF Cc1ccc([C@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1C 473082025 FHZJFKJUZSGYRT-XMMPIXPASA-N 498.406 5.359 50 1 JKGF Cc1nc(-c2c[nH]cc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 587020989 GUCOGAHZTDMIGU-UHFFFAOYSA-N 485.301 7.410 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)O2 587376778 KJMOPAUOIBJDBU-HSZRJFAPSA-N 491.212 6.688 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O 587457933 DQDMYCOEHIABFA-AHKZPQOWSA-N 479.960 5.460 50 1 JKGF COc1ccc(Br)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497006 BHYZXYFMSAUIAQ-OAQYLSRUSA-N 480.196 5.592 50 1 JKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(F)cc1 587509378 RIYMYICEMCJLDY-MQTKRXFDSA-N 466.984 5.924 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCCC2 587539042 UTBMWWYBMKAPGP-RDGATRHJSA-N 465.343 5.523 50 1 JKGF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587929189 GYZRPDNEGNIHOH-KPZWWZAWSA-N 483.300 7.437 50 1 JKGF C[C@@H]1CC2=C([C@H](c3cccs3)C(C#N)=C(N)O2)[C@]2(C1)c1ccsc1CCN2Cc1cccn1C 962372949 KLKBXBWEPGDXKF-MROGCYOMSA-N 488.682 5.594 50 1 JKGF O=C(N/N=C\C=C\c1ccccc1)c1cc(/C=N/Nc2cccc(Cl)c2)nc2ccccc12 95556482 YFTYQAHQPMBCMG-KIPISSNWSA-N 453.933 5.763 50 1 JKGF CC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)C(=O)O 473124758 WYYKYBVYKSTHEV-RSBOXOOMSA-N 456.816 7.068 50 1 JKGF CC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 587217584 XTNAVNANUKJXRG-HNNXBMFYSA-N 498.315 6.711 50 1 JKGF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn1 587246696 FBLLDQDTRQCGIX-UHFFFAOYSA-N 499.303 7.029 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1 587320525 FOAIPEKSRRVTGZ-AZGAKELHSA-N 496.376 5.781 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587328440 UMQVNAWPGKULOY-XTEPFMGCSA-N 458.916 6.692 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 587333024 UVFVABUQKNQESW-HOCLYGCPSA-N 469.175 5.222 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(CBr)c1)CC2=O 587456848 SOBPUKNUQYSTSH-VWLOTQADSA-N 451.360 6.149 50 1 JKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)sc2n1 587537312 CSWHCJXTNQBMLA-VWLOTQADSA-N 469.006 5.850 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)s1 587611150 FQCBOSAHTOIKLC-QFBILLFUSA-N 451.725 5.359 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c(CCl)c1 587891723 MKANCAJEYQHFFB-UHFFFAOYSA-N 450.671 5.341 50 1 JKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccc(C#N)cc1 1857547286 PHUYAHQIGSOSAQ-JYZHMEPXSA-N 475.593 5.608 50 1 JKGF O=C(N/N=C/c1ccc(Br)cc1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c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c1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(C)c1OCc1ccc(C(C)C)cc1 13439043 WZKAUHUZAVBFGL-CCVNUDIWSA-N 450.966 6.129 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13834919 AQZJMTJFOQIQLP-QROXQBBHSA-N 494.716 6.875 50 1 JKGF C=C(C)[C@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 14612378 MUVCLXZNRJJIGV-AHGBIAEISA-N 497.415 5.053 50 1 JKGF in-vitro CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195345684 ULZLQAWMWUNYHY-SFCKAGMYSA-N 464.687 7.466 50 1 JKGF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586982120 QJVCYBMTFXAOQC-UHFFFAOYSA-N 485.316 8.075 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3c(F)cccc3F)nc3ccc(O)c1c23 586986930 RHMXQAOMFJBHIN-MRXNPFEDSA-N 466.281 6.109 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076533 MUWPYICGHBPZHT-UHFFFAOYSA-N 450.820 6.709 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325969 IQMPXTYJEHSLEZ-XTJBDQBJSA-N 477.960 5.417 50 1 JKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417779 QBFZSQAWIUWOEK-QQTNTEGQSA-N 496.818 5.634 50 1 JKGF CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)CC2=O 587486882 LZYOXFLOJACCRS-PMERELPUSA-N 494.571 6.426 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc(F)cc1 587510882 YUNRUCMNZBQCAA-HHHXNRCGSA-N 451.969 6.271 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587538077 MZFVVCONXZSEPH-ZTWLPKFNSA-N 473.750 5.995 50 1 JKGF CC(C)(c1ccccc1)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538630 QJGPHOACHJFWAS-HYBUGGRVSA-N 453.332 5.465 50 1 JKGF COc1ccc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Cl 587541434 BDKKBKHJZSTXJU-ATIYNZHBSA-N 481.331 6.303 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 587568180 DMRFLTXFAHQCHH-IRPSRAIASA-N 499.925 6.776 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587687814 IHIWBNWFUXKYRI-OWJWWREXSA-N 475.833 6.321 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Cl)N1 587725830 GMDXBEVEBULWJX-HUTHGQBESA-N 465.563 5.553 50 1 JKGF C[C@H](Cl)[C@@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2ccc(F)c(Br)c21 587856018 LQQUIFBJKXHJPL-KOFYTHDRSA-N 478.818 5.898 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2c(F)cccc2CBr)N1 963185888 QKUZFUVVJUWAEP-GDBMZVCRSA-N 466.656 5.081 50 1 JKGF Cc1ccc2[nH]c3c(c2c1)CC[C@@]1([C@@H]2c4ccccc4-c4nc5ccccc5nc42)NC(=O)C(C#N)=C31 1857763205 RCBSZEKIDJELBW-NJHZRGNWSA-N 479.543 5.324 50 1 JKGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](Cl)C[C@@H]2Cl)[C@H]1Cl 2356419390 QMDYPTUSBYRIAW-MZGPRZHQSA-N 497.482 5.361 50 1 JKGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 42920483 LCTBUAFKAFMZQT-CUINURIISA-N 456.646 5.599 50 1 JKGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)N/N=C/c1cc(Cl)ccc1O 299836320 NEVQOMOSISVXDX-FFDCYUGXSA-N 453.026 6.330 50 1 JKGF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 586883556 BZEUBPSZXZCJGR-LPEHRKFASA-N 457.262 6.622 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587319579 CDRVZINRTNKNSQ-UPVQGACJSA-N 489.768 6.614 50 1 JKGF C[C@]1(c2ccc(NC(=O)CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325009 BNFKSXWEBGAJEB-ILBGXUMGSA-N 453.897 5.373 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 587325662 GLTNDYCQXDRBOJ-VPUSJEBWSA-N 476.935 5.827 50 1 JKGF N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370465 XBRDDVMBDLUJAJ-GGAORHGYSA-N 474.340 6.307 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587542346 GTBROEZXEGBNBA-IGKIAQTJSA-N 459.929 5.896 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CCl)c2c1 587618771 UQKDZBHYFNOCQP-UHFFFAOYSA-N 471.922 5.291 50 1 JKGF COc1ccc(C)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673533 NVFQHLABTCXVLR-BLVKFPJESA-N 457.181 5.078 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(Br)cc2)N1 587676472 DWICDMADGXREIT-ADLMAVQZSA-N 461.600 5.562 50 1 JKGF CSc1ccc(-n2c(C)cc([C@]3(CCl)NCCc4cc(-c5ccccc5)ccc43)c2C)cc1 962667897 WTGYRKFJDDFAPC-GDLZYMKVSA-N 473.085 7.111 50 1 JKGF CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@@H]4CC[C@]23C)O1 1857615837 OPEANCHMAFTYCL-OSRQYFBDSA-N 483.737 7.326 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=Nc2ccc(C#N)c(F)c2F)nc2sccc12 1857618786 QAMNLVCLLAFKSD-ONEGZZNKSA-N 459.481 5.953 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(C)cc1)OO2 64453820 AVHNAAMBEMLLDE-BFKGBVHNSA-N 465.593 7.618 50 1 JKGF C[C@]12CC[C@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 169714131 UHDIBEGNYLWRAG-SXYOPXHKSA-N 483.656 6.129 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 586974440 WPIGSPUTIQZEPN-VIFPVBQESA-N 473.006 6.135 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587021269 HHWPSXJHBGTJJT-UHFFFAOYSA-N 496.324 7.697 50 1 JKGF Cc1cc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1[N+](=O)[O-] 587057871 XMCUAESXNLGQSY-CXUHLZMHSA-N 466.328 6.558 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319691 CPVDLZZJAKYQOT-ILBGXUMGSA-N 480.333 5.970 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587323472 KJNJVIPLXFAQKS-UNMCSNQZSA-N 461.714 5.787 50 1 JKGF N#CSC[C@@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377170 QSYZRNMOOODSLT-WIYYLYMNSA-N 490.375 5.824 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OCC)cc3)c1C)CC2=O 587461794 SXZUOKNSUXUFPW-MHZLTWQESA-N 467.993 6.250 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 587611354 IDEPPUCEWMHLJN-ZEQKJWHPSA-N 479.985 6.016 50 1 JKGF Cc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587674242 VHIAHIINQMSTEC-ZMZPIMSZSA-N 461.600 5.723 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 587688210 JRGDMOXMPQMUIH-MVDKETGZSA-N 463.822 5.868 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 587716080 DIIJAZMFHGMYIX-JXZYVVILSA-N 495.152 5.761 50 1 JKGF O=C(CCC[C@H]1CCSS1)NCCCN=c1c2c([nH]c3cc(Cl)ccc13)CCCC2 1857628142 DXTLABYQANGISE-KRWDZBQOSA-N 464.100 5.431 50 1 JKGF C=C(/C=C/C=C(/CC)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 85509064 LCTUPPDJKLEUIE-RMCRGANJSA-N 484.721 6.388 50 1 JKGF biogenic,in-vitro COc1ccc2nc(Oc3ccc(C)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084572 WBSQAPYTZRPBCW-VWLOTQADSA-N 481.552 5.795 50 1 JKGF CCCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973372 IUVWYZIWYZVQQR-ZDUSSCGKSA-N 466.217 6.551 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 587324123 WCLAQFGSAWTZRF-RBBKRZOGSA-N 496.159 6.487 50 1 JKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587422771 RUUVCIADPTYORO-PIKZIKFNSA-N 457.957 6.219 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558164 QUUFXOLUUGRHRP-YZZKKUAISA-N 493.275 5.536 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2O)N1 587672783 HUPYUCSSCIRRAB-HUTHGQBESA-N 463.572 5.120 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc3ccccc23)N1 587674671 YUUSVJSNRRJZAA-YEJXKQKISA-N 463.188 5.914 50 1 JKGF COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685613 AGJMGCAPQACCSC-SHACYNPGSA-N 491.832 6.021 50 1 JKGF CC(=O)c1ccc2c(c1)[C@](C)(c1cccc(CCl)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962627284 OYYIKQHETGTMTP-OFVILXPXSA-N 457.954 5.138 50 1 JKGF Cc1cc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1-c1ccc(Br)cc1 963136105 YDHXPEVXNGJVPZ-QHCPKHFHSA-N 473.798 5.183 50 1 JKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCCCCCl)(c2ccccc2)N1 963173953 ACFYUCNFIHSKSR-GCJKJVERSA-N 474.350 6.391 50 1 JKGF CSc1ccc([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963830826 CKEKVHLONYRWMG-AREMUKBSSA-N 493.470 6.253 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 254153152 ULNVENSBPPQRER-SFBXMVEDSA-N 493.732 7.136 50 1 JKGF O=C1CC2(Oc3c1ccc1c3CCCC1)C(CCl)(CCl)CCC2(CCl)CCl 587497554 JDAGJIPLEGUUSL-UHFFFAOYSA-N 450.233 5.991 50 1 JKGF CCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538985 TUXROYLEZYORKB-REWPJTCUSA-N 455.304 5.043 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587682263 CAJPNOBCZAERPA-WNSKOXEYSA-N 452.839 6.683 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587711486 KSYHUNPMCSJATF-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF COCCOC(=O)c1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(/C=C/C#N)cc1C 1772652564 XHRNTQCVULTCLC-SNAWJCMRSA-N 482.540 5.633 50 1 JKGF C=C(C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CC=CC(C)(C)OO)[C@]3(C)CC[C@@]23C[C@]13CCC(=O)O 2356663472 HPUXNUNPWDBEKO-SDZSFYDGSA-N 472.710 7.897 50 1 JKGF Cc1c2c(c(C)n1Cc1ccccc1)SSc1c(c(C)n(Cc3ccccc3)c1C)SS2 299864133 MAJQBTGOBNQUQD-UHFFFAOYSA-N 494.776 8.532 50 1 JKGF CC(C)(F)[C@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587087568 RPAWDONROIXTKU-MRXNPFEDSA-N 456.153 6.089 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587324323 XTRCJXCRIVVSQU-LADGPHEKSA-N 487.321 5.198 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 587333017 UVFVABUQKNQESW-GDBMZVCRSA-N 469.175 5.222 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@@H]1c1ccc(F)cc1 587371741 CWCPTABDCFHYRT-IXCJQBJRSA-N 467.521 6.568 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587433321 QLGURFCAPGEKBQ-PYISFFCESA-N 490.559 5.014 50 1 JKGF Cn1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587538794 RTZUXBMDZYGQIK-URXFXBBRSA-N 464.315 5.136 50 1 JKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl 587545923 SXJRGXAQXDNXJR-JYFHCDHNSA-N 485.363 5.835 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587568436 LUGITRMMDHJXBV-SQHAQQRYSA-N 477.919 6.035 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671585 URNOXNMZQUFWSY-KIMHZCHSSA-N 483.263 6.348 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674096 STAUKGFVZRTLCW-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587929191 GYZRPDNEGNIHOH-SGTLLEGYSA-N 483.300 7.437 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCCCCCCCC[C@H]2Br)N1)C(F)(F)F 962729658 IVYXNJCCGBQPTP-QKNQBKEWSA-N 460.378 6.206 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2Cl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963208362 STNNVJKMXSKIFO-WDNCENIBSA-N 465.822 6.490 50 1 JKGF C[C@@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857548931 YAUIYZINHDLDSU-MRXNPFEDSA-N 481.430 6.845 50 1 JKGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@H]2c4ccccc4-c4nc5ccccc5nc42)NC(=O)C(C#N)=C31 1857763207 RCBSZEKIDJELBW-VVFBEHOQSA-N 479.543 5.324 50 1 JKGF COC(=O)c1sc(-c2cccc(Br)c2)nc1C(Br)Br 72172257 NGGTUSBHSFDGDL-UHFFFAOYSA-N 469.980 5.148 50 1 JKGF C[C@]12CC[C@@H]3c4ccc(CBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 95562363 OAOBRZGVCADFIY-PJKONWPJSA-N 482.462 5.366 50 1 JKGF C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C 238780869 RKPLHWCOJKGGMT-OHJJIPFZSA-N 458.595 5.124 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Br)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057886 XMLHKACIEZTZOZ-ZROIWOOFSA-N 487.188 6.499 50 1 JKGF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587268318 QSIZYAHICBNNLS-UHFFFAOYSA-N 490.252 6.259 50 1 JKGF COc1ccc(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324485 ZOJMNUJZMGZQCP-VWNXMTODSA-N 471.322 5.498 50 1 JKGF COc1ccc(-c2nc3cc(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccoc54)ccc3[nH]2)cc1 1857755775 QZBCIRJZZHNKAV-MRXNPFEDSA-N 473.916 5.673 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321337 JANQLQLAQHWTTA-WMTXJRDZSA-N 455.323 5.959 50 1 JKGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587324684 STLAVXBRALXYPL-IVQABGBRSA-N 471.912 5.145 50 1 JKGF COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587327621 QKRSZGJIITXEMY-AZGAKELHSA-N 485.939 5.006 50 1 JKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587418212 SSCMDOWLMJHDGD-KPGYKUMBSA-N 457.957 6.362 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545367 RCEQMURVVXQMGZ-BVAGGSTKSA-N 465.933 5.473 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1F 587567175 FRZGOTDXKRVZDR-LBNVMWSVSA-N 491.946 6.343 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cn(C)c3ccccc23)N1 587673789 PZBNSSGNALVADV-FKIZINRSSA-N 466.192 5.253 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2F)N1 587722752 ZYNSZDMWOFKINY-MLCYQJTMSA-N 479.590 5.897 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Br)N1 587847826 YQEXPTRFGKHURK-GLEZIHRCSA-N 498.053 5.585 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 2356498265 OTNMMCVDNMEIGO-GLTVZKKGSA-N 470.694 6.269 50 1 JKGF CCCCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12 42890216 NGFLRPXXXMVNQH-YYDJUVGSSA-N 464.698 6.455 50 1 JKGF O=C(N/N=C/c1ccc(F)c(Br)c1)c1ccc(-c2nc3ccccc3s2)cc1 299863102 KPZRGAOQRDOTEF-WYMPLXKRSA-N 454.324 5.629 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587321043 BZQCJSNZDSTUDP-ZQSUYVSHSA-N 493.918 6.118 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587322548 HMPYKZVCQWKPDI-ZDHXQXDLSA-N 481.951 6.008 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 587328653 JUEMBZWODPFJMJ-IRLDBZIGSA-N 495.266 6.199 50 1 JKGF Cc1cc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587497504 ITPNPMDMEPPPSX-MYUZEXMDSA-N 468.424 7.114 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501251 WSLCYDBOXPIPRH-VKGTZQKMSA-N 491.425 6.789 50 1 JKGF N#CSC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609464 VXTXTTSPAWXNRL-DENIHFKCSA-N 468.328 5.226 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587672195 DZGSNAJUMXSTMV-ASSNKEHSSA-N 469.236 6.058 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 587689556 UMDYAUSQAZDFDD-YHIRGELQSA-N 458.762 5.473 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587723298 WPEWQVJBHDQGBX-RBHXEPJQSA-N 455.557 6.051 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845059 MNPJMMSYNYJGPI-MLCYQJTMSA-N 460.199 5.887 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)([C@H]3CCCc4ccccc43)N12 962673456 URNGRYYVTNDIJF-HDYLNDSGSA-N 479.418 5.044 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1Cl 963193765 LPNKHWSAVDSNOA-RRWZXMNXSA-N 479.849 6.798 50 1 JKGF C=C(C)[C@H]1CC[C@@](C)(O)[C@@H]1/C=C/C(C)=C/[C@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(\C)C=O)CC[C@]3(C)O)O1 1772627953 ULPDGPJJKVQNSL-AVQMILEISA-N 484.677 5.430 50 1 JKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccc(F)cc1F 1857606947 GEZHHCDBTZCMTQ-KAUSTKGUSA-N 486.563 6.015 50 1 JKGF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C 1857635166 OZMMEWCVIJNYTR-ZHJWIUILSA-N 486.737 7.659 50 1 JKGF O=C(CCl)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C23CC4CC(CC(C4)C2)C3)cc1 49070684 GXGFAHOWNLCKRA-UHFFFAOYSA-N 487.953 6.825 50 1 JKGF CN(/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C(=O)Oc1ccc([N+](=O)[O-])cc1 49694669 VELJECLRZJJJQW-BYYHNAKLSA-N 477.868 6.065 50 1 JKGF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(CNC(=O)CCCC[C@H]2CCSS2)c1-3 299807403 DBDQKQSAUAJXCP-ZCYQVOJMSA-N 480.743 6.549 50 1 JKGF N#C/C(=C\c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587186965 BQDVYXFTCSLQST-LICLKQGHSA-N 499.482 5.909 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ncc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 587323931 UWGOYWIAXXKPFB-GHTZIAJQSA-N 497.147 5.835 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1scc(Br)c1Br)O2 587412473 ZFMNOVKOSJKWJU-HNNXBMFYSA-N 465.594 5.263 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587682075 BEDBQLHNROCVQB-IPQOISQHSA-N 465.794 5.225 50 1 JKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(OC)c1O 587786859 YKRNQAYHNRIKBF-UHFFFAOYSA-N 475.233 6.373 50 1 JKGF N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)[C@@]1(CCC2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188278 AJMYZDWUSLYSNX-RTKAOUNRSA-N 484.603 5.951 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)=O)CC[C@]4(N=C=O)CC[C@]23C)C1(C)C 1857750485 UWVKYVIIQILRPD-CZXGLOJESA-N 497.720 6.677 50 1 JKGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@]2([C@H]2c3ccccc3-c3nc4ccccc4nc32)NC1=O 1857758882 HXQRLDNODFOIHK-QABMSTFYSA-N 499.961 5.669 50 1 JKGF COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc4ccccc4c3)c2)c1 2090613 XPAZFJFLFHMOJV-STBIYBPSSA-N 470.525 5.209 50 3 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C[C@@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 59796544 IJLWXMAZQWVPRJ-JAQPGKATSA-N 458.727 8.273 50 1 JKGF COc1cc(Br)c([C@@H](N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC 586975683 PPGQYWYGILIFNG-OAHLLOKOSA-N 488.276 6.048 50 1 JKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)Cc3ccc(CBr)cc3)c2c1 587638265 DUXCLNPJBZXDIW-GOSISDBHSA-N 476.414 7.391 50 1 JKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587673856 QWFPMNGHEUGROS-LRTDBIEQSA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587709581 BADLKTRIFMTPRY-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(CBr)cccc1C(F)(F)F 587892888 OQFCLZXFSBRZQD-UHFFFAOYSA-N 479.123 5.618 50 1 JKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(CCl)o2)N1C(=O)c1ccc(Cl)cc1 963029114 XZJDHENPMRZTLQ-SIKLNZKXSA-N 469.324 5.394 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@]1(C)[C@H](C)CCC(=C(C)C=O)[C@@H]1CCCO 2356476547 KWJCZFYAVGCCMW-WWBLVGAFSA-N 458.727 7.737 50 1 JKGF O=[P@@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@H](C(Cl)(Cl)Cl)O1 1855893 CNHAOASKKIUHJG-BGJPBQGDSA-N 461.924 6.048 50 1 JKGF CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@@H]3[C@@](C)(O)CC[C@H](Br)[C@@]3(C)CC[C@]12CBr 42877349 OBFXRJSCWYURMT-UXGBMSEJSA-N 466.298 5.135 50 1 JKGF CC(C)c1ccc(NC(=S)N2C[C@H](CI)S/C2=N\c2ccccc2)cc1 82052413 ADOBFZKLMVFTGQ-FGLUDEAJSA-N 495.455 6.047 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=C\c1ccccc1Cl)/C2=C(\C#N)C(N)=O 96916453 IADNBYVYPPQTFH-YUKUVMRZSA-N 477.048 5.962 50 1 JKGF C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1ccc(O)nc1=O 254240965 ZUYKHQFLMLDXJZ-RMVXJAJNSA-N 496.797 5.451 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587322789 OSXMFQZKGSGNOV-RBBKRZOGSA-N 461.714 5.834 50 1 JKGF COc1cccc(-c2cc([C@H](Br)Cc3c(F)cccc3F)nc3c2oc2ccccc23)c1 587360875 SEQSVPPSDXQBCS-HXUWFJFHSA-N 494.335 7.614 50 1 JKGF C[C@@]1([C@@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507195 UUUIXECKRVOEGU-UGKGYDQZSA-N 451.763 6.088 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccccc2c1 587538131 NSUJIFCWCGEBGB-RCZVLFRGSA-N 461.311 5.797 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 587672933 IYQGHNGBNPAGJK-NPMXOYFQSA-N 489.226 6.309 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)c2ccc(F)cc2C[C@@H]2CCCN21 963117918 ZPTQBGBJPCPTKF-MUAVYFROSA-N 477.023 6.342 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753169 BCPWMPCOEAOEDD-QTLGCAHFSA-N 481.416 6.082 50 1 JKGF Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(CCCl)CCCl)cc2)cc1 95586875 ZHEMNKYMLLOQIO-UHFFFAOYSA-N 491.484 5.670 50 1 JKGF Cc1cc(SCC(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c(C)cc1Br 101892226 RDMRUAODWQVCCL-JXAWBTAJSA-N 472.364 5.070 50 1 JKGF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C4=C[C@]5(C[C@@H](Cl)CC[C@]5(C)[C@H]3CC[C@@]21C)NC(=O)N4)C(C)C 118922696 QARMLJDMOOZDDA-HREVSRIXSA-N 487.172 7.666 50 1 JKGF CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 299821130 ULZLQAWMWUNYHY-AQEJFMEXSA-N 464.687 7.466 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl 299856828 CGDYDLXCPVNCDF-QCRMIYSQSA-N 481.445 6.646 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320137 DWCGITRZUAGWCV-WPYKKVEZSA-N 456.311 5.354 50 1 JKGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326443 LLRPYALGGVKXRO-RDGATRHJSA-N 471.912 5.146 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)CC2=O 587456316 NERCGPJLXVCRHT-JOCHJYFZSA-N 476.754 5.909 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1Br 587537493 GESAQFVSSOBUDT-WIYYLYMNSA-N 490.147 5.407 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1F 587545730 HJKZIAYTMCHPHR-LAUBAEHRSA-N 497.238 5.802 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 587688622 MOQCIHUNQHPHDZ-ZSDNHXBWSA-N 479.777 5.698 50 1 JKGF O=C(Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)Oc1ccc([N+](=O)[O-])cc1 84634235 WZGPSWAIQXFDAF-UHFFFAOYSA-N 467.481 6.393 50 1 JKGF C/C(=N\NC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1cc2c(ccc3ccccc32)oc1=O 103291519 APHMKQMMLIDCJG-OKCVXOCRSA-N 474.472 5.360 50 1 JKGF C/C(C=O)=C1\CC[C@@H](C)[C@@](C)(CC/C=C(\C)CC/C=C(\C)C[C@@H](O)[C@H]2OC2(C)C)[C@@H]1CCCO 103553801 SZBACOZLVMVKCH-CHDOSZNMSA-N 474.726 6.708 50 1 JKGF biogenic,in-vitro COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1OC 103697097 AQHAYADGERZEHP-VWLOTQADSA-N 488.609 6.225 50 1 JKGF COc1ccc(/C=C/C(=N\NC(=O)c2ccc(OC)cc2)c2ccc(Br)cc2)cc1 299838993 PFRPQVFOKCCDRW-QGSVLCHKSA-N 465.347 5.314 50 1 JKGF CSc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587377623 SIRBCJYQVTYQJK-JTHBVZDNSA-N 473.363 5.903 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@@H](Br)CC)CC2=O 587454386 XAYVZDWGFDFGEP-JTHBVZDNSA-N 460.368 5.337 50 1 JKGF COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587496692 JUFFKVCRSJUAMQ-IXCJQBJRSA-N 475.972 5.681 50 1 JKGF C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541592 CJKNKCJXCPNHLD-CPJSRVTESA-N 463.873 5.193 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587851811 COPWHOCBNNTCMD-YBTHPKLGSA-N 468.823 5.469 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(N=C=S)c(Br)c1 587892068 KFAANGUJTQQHPF-UHFFFAOYSA-N 472.166 5.340 50 1 JKGF COc1ccc([C@]2(CCCCCCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962664990 KZYZWARGOGDBAE-SXOMAYOGSA-N 467.009 5.385 50 1 JKGF O=C(NNc1ccccn1)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 33972249 SAUWKRYRSAXLGI-SDNWHVSQSA-N 464.554 5.431 50 1 JKGF C[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(C(F)(F)F)cc1 43439544 OIQGKZALYSLNLA-XNJKSOIPSA-N 456.501 5.991 50 1 JKGF CCCC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 253691721 VMEBTROKTJQZRX-UHFFFAOYSA-N 453.346 6.300 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Br)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057884 XMLHKACIEZTZOZ-NTEUORMPSA-N 487.188 6.499 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058319 YFASINUKBDHPAZ-XNTDXEJSSA-N 486.200 7.104 50 1 JKGF CC[C@@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500998 VVHGXGUJSZDPGU-VWNXMTODSA-N 456.380 5.558 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541719 DFPYGKPQQGBWQP-PMHROOCVSA-N 455.938 5.114 50 1 JKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl 587545922 SXJRGXAQXDNXJR-BVAGGSTKSA-N 485.363 5.835 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 587688212 JRGDMOXMPQMUIH-MYNRUZTGSA-N 463.822 5.868 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1 587689194 QVIMCFYIJLTVIU-BUTRMIIQSA-N 469.826 5.202 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689777 WAMLOGOUGXJHAO-PUAOIOHZSA-N 489.860 6.629 50 1 JKGF COc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1OC 587929246 UALGGCCXCWRVPW-UHFFFAOYSA-N 456.436 7.572 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1cccc2cc[nH]c12 961778388 DGJWSRLOQMZSBY-SANMLTNESA-N 451.998 5.802 50 1 JKGF Cc1cc([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1-c1ccccc1F 962722584 XZCVDPOGLACYQU-AFMDSPMNSA-N 473.032 6.218 50 1 JKGF CC1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O 2356395778 WHXSEQZSHBSMSL-SSGCGZHSSA-N 468.678 6.189 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O)OO 2356497200 DYSGKRAFNMJFSM-GIRBFUDOSA-N 472.710 7.126 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)C[C@H](O)[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2356575422 MJHMUTYZFNTLDJ-DMDDOHEZSA-N 454.695 6.383 50 1 JKGF C=C(C=CC=C(CC)[C@@H]1CC[C@@]2([C@H]1OC)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)C 2356731194 FJMSYPZPFIHYMV-YTSIGKGGSA-N 498.748 7.042 50 1 JKGF O=C(N/N=C/c1ccccc1Cl)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 73165285 UHUVAXUUPOGQNB-MZJWZYIUSA-N 469.888 5.709 50 1 JKGF COc1ccc(-c2coc3cc(OCc4ccccc4)ccc3c2=O)cc1N(CCCl)CCCl 84709490 VHJFPUUGTGXCSW-UHFFFAOYSA-N 498.406 6.332 50 1 JKGF C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 96934087 WRKABWBIZILYRQ-MMKMLUHNSA-N 463.711 5.205 50 1 JKGF COc1cccc(-c2cc(-c3oc4ccccc4c3NC(=O)CCl)nc3c2oc2ccccc23)c1 587357750 LLBCTLMERZGBRJ-UHFFFAOYSA-N 482.923 7.247 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Br)ccc1F)CC2=O 587467873 TWLJOCBXHYDISF-LJQANCHMSA-N 472.148 5.502 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587679145 FFFCSQDZGRSDGX-MCFWBGNESA-N 484.752 5.338 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587682802 DJXQWMVBFBSORZ-WHEQGISXSA-N 467.810 5.589 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587690026 YTEXVYDEFIUBLN-ZLOXQWCVSA-N 496.251 6.666 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(SSc2ccc(Br)cn2)nc1 587919676 TUXNOKPXMMJLQC-UHFFFAOYSA-N 463.809 6.100 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962564780 HLVYOEJLQZCPHW-BUXKBTBVSA-N 453.473 6.336 50 1 JKGF Cc1cc([C@@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c(C)n1CCc1cccs1 962674454 XMNFKDNCJONDJR-NDEPHWFRSA-N 461.074 6.704 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2Cl)N[C@H]3c2ccccc2Cl)cc1 299847741 PQILQYSSOBRXTK-NBMBROAQSA-N 493.438 6.164 50 1 JKGF CCc1cc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 587052813 NVHMHJAEZPBVRO-UHFFFAOYSA-N 491.707 7.778 50 1 JKGF COc1ccc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332091 IPXUFLOXMIMWLH-JTHBVZDNSA-N 475.285 5.328 50 1 JKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499541 VELNKWJBQIDRRG-NDEPHWFRSA-N 471.940 5.196 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587686176 BWVSJVCFUKBJQR-IQMFZBJNSA-N 452.839 6.852 50 1 JKGF CSc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O 587845084 MTKHIFDADPPZHX-PRWKNARSSA-N 471.823 5.285 50 1 JKGF COc1ccc([C@]2(CCCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963150713 SAQNTWHJWNWTLO-WZONZLPQSA-N 481.014 5.051 50 1 JKGF O=C1[C@H](Cl)[C@@H](c2ccc(F)c(Br)c2)N1Nc1ccnc2cc(Cl)ccc12 1772640432 AXQYJXLJKWRDKS-IAGOWNOFSA-N 455.114 5.308 50 1 JKGF CC(C=C[C@@H](Cl)[C@](C)(Cl)CBr)=CC=NOCc1c(F)c(F)c(F)c(F)c1F 2356578309 MLESYUWZFTYAKV-PIGZYNQJSA-N 495.113 6.387 50 1 JKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 100783664 YKSBFBSHBBLBBW-VBLQTSIXSA-N 495.012 5.559 50 1 JKGF CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F 103212466 LPAQCQFICSRWDK-PPCHASGVSA-N 491.525 5.095 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 587324040 VQBNAYHTEHNIQF-IRLDBZIGSA-N 472.266 5.089 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H]2Br 587325793 ZGEISMAKSFNIFD-XSGJTREJSA-N 459.355 5.849 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327026 ODZZZSIHRYVVJR-AHKZPQOWSA-N 481.951 6.009 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@@H]1c1ccc(F)cc1 587329681 YVKZLZQNDFPBKT-NFBKMPQASA-N 457.288 5.554 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375151 RGHXNHPXZFWVPN-MOADCYBESA-N 478.932 5.785 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)CC2=O 587464039 HBELZNHWQAFEFX-LJQANCHMSA-N 493.703 6.152 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)C)cc1 587498362 NHOZCJDGBAZTSS-LJAQVGFWSA-N 462.033 7.196 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587509902 YERFPVKECFBGLS-KWMCUTETSA-N 499.985 7.062 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCBr)cc2)N1 587672687 HCKAKJDTYSSZGS-HXPMCKFVSA-N 457.181 5.376 50 1 JKGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@](CCCCCl)(c2ccc(C(F)(F)F)cc2)N1 962646046 WBDQJCCPJKMKGJ-JXFKEZNVSA-N 495.847 5.856 50 1 JKGF O=C(Cn1c(C2CC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc(F)c(Br)c1 1772635838 YWALDPFFKXTFBH-KTZMUZOWSA-N 484.156 5.272 50 1 JKGF Cc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\NC(=O)c1cc2ccccc2oc1=O 1857543405 UUUWGBCDINHYFO-XRRXZQNGSA-N 499.523 5.062 50 1 JKGF COc1cc2nc(Nc3ccc(C#N)cc3)[nH]c(=Nc3c(F)cc(/C=C/C#N)cc3F)c2cc1OC 1857558501 LDLRLSFJVHBTHW-ONEGZZNKSA-N 484.466 5.243 50 1 JKGF COOC[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5cc(OC)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 1857601100 NUKMCKWOSDIKPK-BGJNSBSISA-N 484.677 6.852 50 1 JKGF C[C@@](O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857609948 LRAZBDSXULWAIQ-MRXNPFEDSA-N 481.361 6.011 50 1 JKGF Cc1ccc(C(=O)c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3o2)cc1 1857754251 KKXXGAJOCCUOIE-DEOSSOPVSA-N 466.537 5.732 50 1 JKGF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@@H](O)CC[C@]12C 2356420886 QXIPAZAGBRHLNR-RAKZZFMFSA-N 456.711 7.110 50 1 JKGF C[C@]12CC[C@@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 26402434 MQOUPVQZLSJCNN-QYXZUYCASA-N 483.656 5.771 50 1 JKGF CCS(CC)(CC)C[C@@H]1CCCC2=CC[C@H](P(=O)(c3ccccc3)c3ccccc3)C[C@@H]21 263606300 QSMSZCUPJSORMZ-FMYROPPKSA-N 468.687 7.370 50 1 JKGF CSc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587057052 RQXILBFGRSWXOW-MHWRWJLKSA-N 453.398 7.063 50 1 JKGF Fc1cc(Br)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587161312 PETJHFHQSSHWRU-UHFFFAOYSA-N 496.068 7.551 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328480 URWSGQFWMMUWQI-XNOIXWDWSA-N 495.978 5.482 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@H]1c1ccc(F)cc1 587328957 WROUPYCIPDNPJY-IGKIAQTJSA-N 477.919 5.631 50 1 JKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1OC 587372984 OPXBPLIJESNJRE-MHZLTWQESA-N 483.008 5.355 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1c(C)cc(C)cc1Br)[C@@H](C2)C3=O 587413622 HSWLYNFYVDTQBG-XOBRGWDASA-N 466.169 5.112 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Br)c1 587505778 VNARMDXSTLBURJ-AREMUKBSSA-N 498.848 6.835 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)cccc1Cl 587539931 YTWHANQJVMPPEX-NQIIRXRSSA-N 480.141 5.951 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587690156 ZOVUYOPJRJHOSU-LZDDTZTRSA-N 479.821 6.053 50 1 JKGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)c3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772629699 MKAIIDNMGYFCDM-AUNVSFGXSA-N 464.558 5.515 50 1 JKGF C[N+](C)(CCCCCI)c1ccc(/C=C/c2nc3ccccc3s2)cc1 36382708 OEMGWCFUCHIRAM-NTCAYCPXSA-N 477.435 6.639 50 1 JKGF C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@H](C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C 238745264 FYBDWRRBWHRIAY-CZIXYAIYSA-N 476.762 5.337 50 1 JKGF O=C(O)c1ccccc1/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586881654 YBDBAHOGEFEEHG-AATRIKPKSA-N 469.229 6.851 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587326524 LSBKCYYWUNPVAX-PXJZQJOASA-N 489.974 6.740 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1 587496516 DMVDNBOFBLMGQF-AREMUKBSSA-N 454.397 6.726 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587674121 SYEQIZXQSULFAE-CMJOXMDJSA-N 489.226 6.428 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587689564 UNIIJDDDTMLFIY-SOHPYSCWSA-N 467.810 5.732 50 1 JKGF Clc1ccc([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)o1 962646449 UQYNZNULIHPZGC-XXBNENTESA-N 457.799 5.318 50 1 JKGF FC(F)COc1ccccc1[C@@]1(CBr)NCCc2cccc(-c3ccccc3)c21 962665353 HRJSLOQTBXZBCN-XMMPIXPASA-N 458.346 5.782 50 1 JKGF Cc1cc([C@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1-c1nccs1 963192085 QAJYIGAWODMZNT-VPUSJEBWSA-N 473.045 6.156 50 1 JKGF CCCN1[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)c2ccccc2C[C@H]1C 963234735 VPRBWHZNSOHSMC-SZNDQCEHSA-N 460.799 6.040 50 1 JKGF O=C(c1cccnc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 1772648340 JLNBHIKQLLJFFJ-GHVJWSGMSA-N 461.221 5.551 50 1 JKGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](Cl)C[C@@H]2Cl)[C@@H]1Cl 2356419392 QMDYPTUSBYRIAW-UXZQQYAVSA-N 497.482 5.361 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@]2(CO1)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356535450 AIKJBFPXVYAIKI-SFGWMHHMSA-N 470.694 6.406 50 1 JKGF CCCCSc1nc(Nc2cccc(O)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 299861506 IHSVKLJWXGPPOW-FQEVSTJZSA-N 453.999 6.148 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056898 SMKRBYDALRYWQK-ATVHPVEESA-N 464.400 7.034 50 1 JKGF COc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587320644 GCZRQJQDNQATLG-NOZRDPDXSA-N 485.349 5.806 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587322174 GIROHUULCBVGGU-UGKGYDQZSA-N 451.708 6.243 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O 587461146 PRVFRAWPBLNSND-HHHXNRCGSA-N 481.976 5.623 50 1 JKGF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CBr)cc21 587500175 RLVQWFQLBNENDQ-MHZLTWQESA-N 473.366 5.914 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587686448 CTOCLZBPPFPIRM-BSGVFPLJSA-N 479.821 6.053 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 587720111 MQOVXRBGZKTRTJ-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961748152 IPOGDXVLFIRFSK-MQNRADLISA-N 462.968 5.987 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCCCCl)CC1OCCO1 961754068 ZSIZYPDGGQHAJN-VWLOTQADSA-N 465.034 5.205 50 1 JKGF COc1ccc2c(c1)[C@](c1ccccc1OC)([C@@H](Cl)C(=O)c1ccccc1OC)N(C(C)C)CC2 962088246 FMZRQZRZJCXZAN-URLMMPGGSA-N 494.031 5.713 50 1 JKGF CC(C)(C)[C@]1(/C(C#N)=C/c2ccc(F)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963472 YRLGKGIVGBJBKT-OGDGDXASSA-N 472.526 6.344 50 1 JKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(C2CCC2)N1C(=O)c1ccc(Cl)cc1 963020985 ODXRDEBRZIDQDQ-HYBUGGRVSA-N 457.357 5.207 50 1 JKGF CC1(C)C(CO)=C(C#N)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 1857760892 RRHSDJWVFDUMRO-ZKIXWSGISA-N 465.722 6.909 50 1 JKGF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356574502 BRCSFJAWHNPAMY-MHZRYXTJSA-N 465.118 6.002 50 1 JKGF Cn1ccc(=Nc2ccc(Cc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 29321712 CZBKEYVZNKSAQE-UHFFFAOYSA-N 464.440 6.286 50 1 JKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CSc2ccccc2)=N1 34802421 BBNXZTOQBFTZPU-VNRABVQOSA-N 472.532 7.028 50 1 JKGF Cc1ccc([C@@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 103286932 BUNFYBRJVZNIJV-XDZXDJIYSA-N 452.602 5.474 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169304599 CASWDFLWXWLZCX-PMFCRFFKSA-N 480.985 5.471 50 1 JKGF C[C@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 195523609 FUADBYKFTGCKPV-OWSXEPHWSA-N 495.878 6.040 50 1 JKGF Clc1ccccc1CN(Cc1ccccc1)C1=NC[C@H](CI)S1 368098471 ZMDVNCKKXJBMAC-INIZCTEOSA-N 456.780 5.249 50 1 JKGF Cc1ccc2c3c(cc([C@H](Br)Cc4c(F)cccc4F)nc13)-c1ccccc1C2=O 586997443 XSPMKKSAPYLYCG-LJQANCHMSA-N 464.309 6.712 50 1 JKGF OC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 587125387 DSKOKMIBTCHUQZ-UHFFFAOYSA-N 489.226 6.923 50 1 JKGF CCOC(=O)c1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324206 XDYMYJJICMMJCZ-DHLKQENFSA-N 499.332 5.357 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 587324517 ZVOCAUJJPDUBGX-ILBGXUMGSA-N 499.332 5.342 50 1 JKGF Cc1c(C)c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C 587325875 HHDTWXWSVBDQSY-BDYUSTAISA-N 452.953 6.567 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Cl)[C@@H]1c1ccc(F)cc1 587337480 RTLFYXJSLAFPBP-IFMALSPDSA-N 479.704 5.973 50 1 JKGF N#CSC[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377169 QSYZRNMOOODSLT-RXVVDRJESA-N 490.375 5.824 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O 587461781 STLQDQQPDUWESM-MHZLTWQESA-N 481.976 5.638 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587672917 IWQHZXTXEHTRDH-WNSKOXEYSA-N 495.274 6.809 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587678831 DDWNDYSFNNLOOZ-SFDCACGMSA-N 456.742 5.774 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C 587689046 PBMUYECOIOHFRY-YTEVENLXSA-N 485.825 5.220 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@]2(CCCCCCCCCC[C@H]2Br)N1)C(F)(F)F 962729660 IVYXNJCCGBQPTP-ZVDOUQERSA-N 460.378 6.206 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1ccccc1OCC(F)(F)F 963271110 SDZYNPLOQHYOFG-GOSISDBHSA-N 493.161 5.517 50 1 JKGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(Cl)cc3)O2)cc1O 1772629053 YBDCWCBNIOJZJN-HHHXNRCGSA-N 493.943 5.679 50 1 JKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1ccc(F)cc1 1772639776 XJACAFJSTPIYMI-VPUKRXIYSA-N 482.878 5.469 50 1 JKGF Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)c(Br)c4)cc3)[nH]c2cc1C 1857593556 KUIYPDJNXSESAN-BRJLIKDPSA-N 463.335 5.079 50 1 JKGF O=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857652528 GOLQMFGYLLICAE-LUOAPIJWSA-N 458.280 5.908 50 1 JKGF Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@H]3c3ccccc3)c2C#N)c1 96933505 ZNMLHRMEJMKBPU-IZZNHLLZSA-N 489.966 6.167 50 1 JKGF O=C(N/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl)c1ccc(O)cc1 103282857 AXXSCRTUUOBJMY-QYQHSDTDSA-N 490.799 6.117 50 1 JKGF Oc1ccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCOCC2)cc1 586912657 JOTBKWGNEFFDJO-UHFFFAOYSA-N 499.299 6.785 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587321335 IWHNWGQFUWTBDB-VWNXMTODSA-N 455.323 5.797 50 1 JKGF [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321343 JBBDFOYPFMAOQE-IFMALSPDSA-N 468.282 6.122 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587324301 QDPAYXBRAHRFKL-UPVQGACJSA-N 489.768 6.567 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 587377015 ZUJGTJMVFZOHNH-UPVQGACJSA-N 483.358 6.395 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)F)c1 587552865 CGYDJIUXMCRXGP-XMSQKQJNSA-N 477.257 5.246 50 1 JKGF C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 587672222 YFJOIMGGJZIJPH-OFRGTUEJSA-N 485.279 6.318 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587724894 MFZYOQQLLZDVIC-AUSHCKSDSA-N 463.135 5.428 50 1 JKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)NCCc4cccc(-c5ccccc5)c43)c2C)cc1 962673158 ZWASJFGOPDHBQP-HKBQPEDESA-N 485.071 6.651 50 1 JKGF ClCCCC[C@@]1(c2ccccc2I)NCCc2cccc(Cl)c21 963378645 HCFJJPJTIVFVLL-IBGZPJMESA-N 460.186 5.743 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]12C)OO 2356389717 FRZPGQFZKQIUFW-FODVJZOCSA-N 458.727 7.803 50 1 JKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2[C@@H]4[C@@H]([C@H](C)OO)CC[C@@]4(C)CC[C@@]23C)C1(C)C 2356499785 KHDIRIGQBDNIRR-XDVWXCRKSA-N 488.753 7.898 50 1 JKGF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356645520 TZWRPXXRQJDCPG-HJFUZKHISA-N 488.917 9.964 50 1 JKGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1cc(Cl)cc(Cl)c1 29037325 WZEALXJXRWFYER-UHFFFAOYSA-N 455.769 5.558 50 1 JKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCCCCl)[C@H]3[C@@H]1CC[C@@H]2O 58508265 RTAKOGISYBZRMX-LIHJZYAESA-N 461.130 7.975 50 1 JKGF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587274874 VGCSVCLJSSUCPZ-UHFFFAOYSA-N 462.198 5.444 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C(c4ccccc4)c4ccccc4)c1C)[C@@H](C2)C3=O 587418239 SXWLYKLTNUWOQX-HVNZXBJASA-N 498.022 6.633 50 1 JKGF Cc1cc(C(=O)CCl)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587886515 SEQUOSQZSFJWBU-UHFFFAOYSA-N 487.814 5.533 50 1 JKGF COc1ccc2c(c1)[C@@](c1ccc(Br)cc1)([C@H](C)Br)N(C(C)C)CC2 962092950 RPDQHEDATARUIQ-BTYIYWSLSA-N 467.245 5.751 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cc(F)ccc1O 963197566 SVGIXTFDJQLCMP-UPVQGACJSA-N 451.339 5.293 50 1 JKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@@](=O)c2ccccc2)=N1 34802439 KMIWFCOEGVYEOS-CTMHJSJUSA-N 488.531 6.044 50 1 JKGF ClCCN(CCCl)CCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 43023290 XQDFRGNTSPAOCZ-UHFFFAOYSA-N 482.455 7.070 50 1 JKGF O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285276 IMQFZSWVQFOADL-UHFFFAOYSA-N 497.620 5.007 50 1 JKGF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587043344 PSWMKEODUQXKPL-QGZVFWFLSA-N 479.496 6.507 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058540 ZWHCGFMJTOMACJ-YVLHZVERSA-N 491.357 6.666 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321308 CVALEAZDLGEOIY-VKCVVMHYSA-N 475.741 6.176 50 1 JKGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587324685 STLAVXBRALXYPL-OGLLEDLLSA-N 471.912 5.145 50 1 JKGF CCCCCc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587674186 UHCSFGQAVRSFAB-QRQCRPRQSA-N 483.263 6.494 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 587689309 RQHIOFHFKXFBLC-RJBYIMOVSA-N 483.812 6.827 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 587719754 LQHJTLGHMHETMD-QGHHPUGFSA-N 497.124 5.660 50 1 JKGF BrC[C@]1(c2ccc(Br)cc2)NCCc2cccc(-c3ccccc3)c21 962671996 XMWNHRLQBLWCFG-JOCHJYFZSA-N 457.209 5.900 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1OC)C(=O)[C@H](C)Cl 40973532 VTSHXSINHSWXOP-AFMDSPMNSA-N 480.008 5.178 50 1 JKGF Cc1ccc([C@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 473083949 PRNSOWZJRAUTRT-HSZRJFAPSA-N 484.379 5.051 50 1 JKGF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 587067681 KMVBABOFUDBKBI-UHFFFAOYSA-N 460.855 7.700 50 1 JKGF Cn1nnc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C(F)F 587127994 DWCZYGZVWVSYIM-UHFFFAOYSA-N 454.169 5.716 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 587325047 WJGHVLARBSMQMS-SHSRKSKBSA-N 497.953 7.247 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1sc4ccc(Cl)cc4c1C)[C@@H](C2)C3=O 587449998 CVGNTJWFJILNEI-BTYIYWSLSA-N 463.780 5.910 50 1 JKGF O=C1C[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 587506402 JLGSQVGMZLITRB-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF COc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F 587507253 PMJZIAGBXMSIRM-JOCHJYFZSA-N 467.306 5.431 50 1 JKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539341 VPPFSIKVGHNJBH-QDSKXPNFSA-N 453.332 5.669 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540391 ODXNXNZXDGCKRH-PSMUNZOPSA-N 459.723 5.639 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616559 DUUQQKYRNSOARD-VEQVNTQVSA-N 462.914 5.248 50 1 JKGF COc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587673084 KCLDPIVWPLNHKE-RNODOKPDSA-N 471.208 5.386 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587682153 BLXQGZVNRUXNON-IQMFZBJNSA-N 460.774 6.397 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)s2)N1 587850162 XSLANEANZUGLHT-ANRSDYALSA-N 498.053 5.585 50 1 JKGF COc1ccc(OC)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1OC 587927542 WDFDYIFYGLLMIP-UHFFFAOYSA-N 489.260 6.676 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccc(OC)cc1 13675447 NCFMXHDEOVEFEX-QHCPKHFHSA-N 478.980 5.251 50 1 JKGF CC1(C)c2ccoc2C[C@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@H]21 15222192 GSRPFVPTUJOGDD-MOUTVQLLSA-N 494.766 8.527 50 1 JKGF CCCC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 27980539 VMEBTROKTJQZRX-QVIHXGFCSA-N 453.346 6.300 50 1 JKGF CC1(C)[C@H](CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(C=O)=CC[C@H]2[C@@H]1CC[C@@]2(C)O 40587698 BDNMFPOVAWCGRX-VKULAWNXSA-N 490.725 5.201 50 1 JKGF CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 59790808 NUVDETAVXDNNIF-XCASTYMOSA-N 452.639 6.203 50 1 JKGF Clc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3C[C@H](Cl)c2ccccc2)c1 71296246 OTWMXTGUDMPDEI-FQEVSTJZSA-N 469.376 5.040 50 1 JKGF N#CC1=C(N)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Br)cc2)[C@@H]2CCCC=C12 169348675 MFSBVHYQWLYVPA-UTKZUKDTSA-N 459.343 5.075 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320210 FAVLGXUITQFEFO-UKILVPOCSA-N 469.350 6.304 50 1 JKGF CC(C)c1ccc(OC[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325600 GBWZMXRXEMOXDX-AOYPEHQESA-N 454.925 6.070 50 1 JKGF O=C1C[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587495571 DUOYPUZKXXBEGS-XCZPVHLTSA-N 489.955 5.401 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 587685884 BRMYLUHMHWQFAI-CPJLOUKISA-N 489.860 6.266 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C 587689021 ORCVZKMMAALMBM-IPQOISQHSA-N 485.825 5.220 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 587719705 QMMRVEPSYGBMFN-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587721870 QWXWRWLDHLLQNW-DYZYQPBXSA-N 497.124 5.660 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1-c1ccon1 963192244 IXVKQRPYCOEPOP-XNMGPUDCSA-N 456.977 5.688 50 1 JKGF N#C[C@@H](O)CCCCCCCCCCCCCCCCC=CCCCCCc1ccc(C=O)[nH]1 2356805350 VGVUKFLXRRQHSY-PMERELPUSA-N 470.742 8.612 50 1 JKGF C[C@@H](CC=CC(C)(C)OO)[C@@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]1O[C@@]143 2356845100 OBHBMOJWJPZWOF-LIKJWWLYSA-N 486.649 5.492 50 1 JKGF Cn1cc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3)c3cc(F)ccc23)c2ccccc21 73224966 OBWBBPFDPZFSLE-DBFSUHOCSA-N 458.924 5.738 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 95099457 GUPQNHIGLNUBOG-XWZLEBTESA-N 452.679 7.074 50 1 JKGF biogenic,in-vitro CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c(O)c1 96938931 ZQDTXQOYYYIOBK-WKULSOCRSA-N 471.483 5.160 50 1 JKGF Cn1c(O)cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587329597 YPYSLCRYFTVFAJ-ZCYQVOJMSA-N 451.881 5.222 50 1 JKGF CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 587332697 MEXJWRXEZWYGNF-UPVQGACJSA-N 457.860 5.122 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 587338638 XVZFXTGLFPFCBN-RBBKRZOGSA-N 463.249 5.459 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O 587415229 QPQOSHVLSHBPFT-WUMKDDEVSA-N 469.762 6.128 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Cl)ccc(F)c1Cl)CC2=O 587468931 ZQKAYQJRQURTBV-LJQANCHMSA-N 462.142 6.046 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587683782 IBKVQOMRDMOPEA-LFVRLGFBSA-N 494.788 5.537 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 587715430 HQIREFYJDNNCOR-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587934800 GIJRCFFNXTVFHT-ABKXIKBNSA-N 487.288 6.829 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1(CCl)c1ccc2c(c1)C(C)(C)CC(=O)N2 962377691 XMMNUAAJXJPFDS-VWLOTQADSA-N 454.039 5.247 50 1 JKGF CC(C)(Cl)[C@@H](Br)CC[C@](Br)(CCl)[C@@H](Cl)CBr 195509019 WABYMNUXOPLVSB-NRPADANISA-N 482.309 5.922 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4cccc(F)c4)C(=O)O[C@@H]3[C@H]21 206972473 HCBYBDNCXROCCT-YHXFCYGRSA-N 456.674 7.052 50 1 JKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)OC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O 299882631 QBSSDCHQINCLNL-QHXWWDPMSA-N 484.677 6.083 50 1 JKGF CC(C)COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973762 OBUIIZDSWLGGIR-ZDUSSCGKSA-N 466.217 6.407 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 587372260 FETKEEHEOSXBEF-RBBKRZOGSA-N 451.346 6.520 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccccc3)c1C)CC2=O 587461713 SKEUCLWNUKHSOT-MHZLTWQESA-N 451.994 6.105 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)(F)F)c1 587556963 PNQKORMCGYCKQD-NQIIRXRSSA-N 495.247 5.543 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 587672629 GRGQWSUSGOQGQS-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689767 VVFUNQJWTJTAHK-MYYSRTQBSA-N 475.833 6.321 50 1 JKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3ccc(C(=O)Cl)cc3)nc(Cl)nc21 963928565 NMMRCEZCXQTDGM-HXUWFJFHSA-N 482.371 5.297 50 1 JKGF CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]23CC[C@]1(C)OO3 1857640423 ZEYYXHRJJGPVFD-YRLJVRQXSA-N 456.667 5.878 50 1 JKGF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356495609 XEWVATFZTBNDCF-BKSOYUEHSA-N 486.901 9.884 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1cccc(F)c1 13675455 ANTKSEOWKXCTTM-QFIPXVFZSA-N 466.944 5.382 50 1 JKGF Clc1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(Cl)cc4)cc3)cc2)cc1 18169531 JPSLIIDRSWXSFJ-LZUTUTKMSA-N 493.484 9.294 50 1 JKGF C[C@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 195523613 FUADBYKFTGCKPV-YJGRUCBDSA-N 495.878 6.040 50 1 JKGF Cc1c(C)c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C 587325876 HHDTWXWSVBDQSY-VPUSJEBWSA-N 452.953 6.567 50 1 JKGF O=C1C[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 587498476 HRMHSVNSDQWRTP-FQEVSTJZSA-N 495.167 5.450 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1[C@H](C)c1ccccc1 587546891 YTCHSGDAWFJXBI-HRUHZFIUSA-N 487.983 6.516 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Cl)c1Cl 587552912 CNZABAOODBCDBQ-UTKZUKDTSA-N 498.131 6.090 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cc(F)cc1F 587554781 FJRIOFCANWUJQK-GHTZIAJQSA-N 465.221 5.062 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O 2356506320 ALBRPHJUQRKZLQ-HDUBARIRSA-N 454.695 6.837 50 1 JKGF CCCCCC=CC[C@@H](CCSSCC[C@H](CC=CCCCCC)OC(C)=O)OC(C)=O 2356639098 DTLNHSKTUGGNSN-UIOOFZCWSA-N 486.784 8.065 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802414 WHMKSCJYJAAYLF-VPBFVJKUSA-N 474.504 5.655 50 1 JKGF COC(C)(C)[C@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586971768 YOFNEDGNMFLECI-SNVBAGLBSA-N 488.114 6.844 50 1 JKGF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586982469 ZXVOIGCQSHUTLV-UHFFFAOYSA-N 499.343 8.609 50 1 JKGF Fc1cc(Br)cnc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587155560 OGSANNYKRZFRKU-UHFFFAOYSA-N 497.056 6.946 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)cc1Br 587322735 OCMVJMONJSXNPZ-UPVQGACJSA-N 489.768 6.404 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O 587414056 RKUSQENNYXKICU-OFVILXPXSA-N 465.343 5.312 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(CBr)c1 587539552 XBUPSOAOEVRDEB-RPLLCQBOSA-N 487.349 6.193 50 1 JKGF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCCl 587541313 AUAFSBFTZHROOE-RDGATRHJSA-N 454.906 5.286 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2O)N1 587672784 HUPYUCSSCIRRAB-VVVCHXIZSA-N 463.572 5.120 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Br)cc2)N1 587845874 OOBGCHAPPGBBES-BBATYDOGSA-N 470.205 5.343 50 1 JKGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2cc3ccccc3s2)N1 962968613 CXNQXMMLIIIWIK-ORAYPTAESA-N 472.738 5.070 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)cc2C3=O)OCC(C)=CCC1 2356800163 PTNYYODJBDDUKA-OWAUWMPXSA-N 479.400 5.749 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O 28647075 BDNMFPOVAWCGRX-KOHQYJKCSA-N 490.725 5.201 50 1 JKGF CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12 49784349 BBUOTHLKDVWRRT-UHFFFAOYSA-N 489.685 7.741 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 49888682 RAGZMTDDEIUDKB-VJPAEBCTSA-N 459.561 6.994 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 64437151 WQCDOZNWFUWSPP-FHZBLKBXSA-N 470.396 7.463 50 1 JKGF CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F 103212469 LPAQCQFICSRWDK-UPPUFSLMSA-N 491.525 5.095 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(Cl)cc3F)nc3ccc(O)c1c23 586988536 KWGKZLRWZOXRPB-QGZVFWFLSA-N 482.736 6.623 50 1 JKGF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587056891 VQXJTXVLWQGLDL-MRXNPFEDSA-N 498.861 6.909 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 587322601 NMAQTFFGZYUKMV-VWNXMTODSA-N 469.306 5.116 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)O2 587375006 AZKSYGTXFMNRAN-AREMUKBSSA-N 494.385 5.119 50 1 JKGF CSc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1NC(C)=O 587377720 SPTIAACMBCLVJF-ZCYQVOJMSA-N 485.964 5.705 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O 587461085 WGXVZWVKXRYQOY-CBZJRKILSA-N 463.961 5.820 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1Br)CC2=O 587467826 SPYMSKVXRZUPRY-IBGZPJMESA-N 472.148 5.502 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 587672288 ZIPCSMWBDPWIGL-ZSMADZGOSA-N 496.218 5.034 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 587720102 RBTLYNWFTUZORF-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 587857580 SCJYLDMRXHVVGT-OHFZKXELSA-N 499.236 6.163 50 1 JKGF CCCCCCCCCCC1=C(O[Si](C)(C)C(C)(C)C)C(=O)N(Cc2ccc(OC)cc2)C1 653710328 XJAAUMCJCAUSJM-UHFFFAOYSA-N 473.774 7.844 50 1 JKGF CN1C(=O)C[C@@H]2CN[C@](c3ccccc3Cl)([C@@H](Cl)C(=O)c3ccccc3Cl)c3cccc1c32 963017668 CEXUHXRHWXUTEP-WIDSHULWSA-N 499.825 5.781 50 1 JKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857754924 GDQYGOWANCTVTH-FKAPRUDGSA-N 479.543 5.324 50 1 JKGF C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OC(C)=O)CC[C@]12C)OO3)C(C)C 2356568439 BJONRBZQRQKREG-HVFCJIDASA-N 470.694 7.189 50 1 JKGF CC(=O)OCCN(CCOC(C)=O)c1ccc(/N=N/c2nc3ccc(SC#N)cc3s2)c(C)c1 31374046 PUGQCSKAHXIMHN-CYYJNZCTSA-N 497.602 5.526 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)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 36089200 VGVCPRLQICAVQJ-JRLHKXOXSA-N 491.672 6.291 50 1 JKGF CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 38158737 PYENPPCJTKAHBP-JFAIYWTASA-N 456.554 5.701 50 1 JKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 64447202 GTCCWQYUSKUNTB-JVKOYPPFSA-N 477.604 7.823 50 1 JKGF O=C(N/N=C\Cc1ccccc1)c1cc(/C=N/Nc2cccc(Br)c2)nc2ccccc12 95552465 WESHITJSPCZGCZ-BLGASGQWSA-N 486.373 5.402 50 1 JKGF O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 103177973 UHUNBKQMVNWSPZ-MNDYBZJGSA-N 458.443 6.166 50 1 JKGF C=C(CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O)C(C)C 238751298 FNYATHKWPGEORD-BWGFOOQLSA-N 472.754 7.887 50 1 JKGF Cc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1C(F)(F)F 587095930 ZNPPSLDULXGNKJ-UHFFFAOYSA-N 495.233 7.901 50 1 JKGF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587174910 NWBNMSHLVBOGPR-ZDUSSCGKSA-N 499.278 6.846 50 1 JKGF N#C/C(=C/c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587189227 ZYZUBDGTESZSFG-WJDWOHSUSA-N 468.460 5.447 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587322953 PRCUMPXPPRRUEE-UPVQGACJSA-N 455.323 5.797 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423773 ZGEJBMRMAAWIDP-KSSFIOAISA-N 495.213 5.771 50 1 JKGF CCCCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539442 WJMKBKIDFUSJCR-BVAGGSTKSA-N 481.386 6.377 50 1 JKGF C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541584 CJKNKCJXCPNHLD-CJFMBICVSA-N 463.873 5.193 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587544335 NSHGYEJZCUKUGK-UHSQPCAPSA-N 487.983 6.512 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587687815 IHIWBNWFUXKYRI-OYLFLEFRSA-N 475.833 6.321 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587702053 DGWHLHZKHONNJV-AHBCHLHISA-N 482.674 5.509 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]12C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 963227653 JZZMHWLDZUJSMZ-MYUZEXMDSA-N 492.044 5.798 50 1 JKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@H]1c1ccccc1Br 1911585000 DQCOZYGOAKLRAW-OAQYLSRUSA-N 487.309 5.146 50 1 JKGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)CC[C@@H](Br)C(C)(C)O1 2356604734 FLSDGNYXFPEZAL-VZSXATARSA-N 474.661 5.200 50 1 JKGF COc1cc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O 53298228 OEBUXXALNAGHSZ-XZOQPEGZSA-N 490.972 5.104 50 1 JKGF Cc1ccc(CSCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586970819 JRLVXGDOELSWOA-UHFFFAOYSA-N 487.357 7.767 50 1 JKGF Cc1nc(N(C)C)ncc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587194504 HDJTUTDNTBWHFY-UHFFFAOYSA-N 458.254 5.814 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321227 CRZATCPQJXOMLV-UYDUHGDPSA-N 452.953 6.711 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OCc3ccccc3)cc1)O2 587370797 BVLPEEGVURGTOS-XMMPIXPASA-N 452.348 5.412 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc(F)cc1 587510883 YUNRUCMNZBQCAA-MHZLTWQESA-N 451.969 6.271 50 1 JKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587556263 NVWBHFUYSPGVPU-WMZHIEFXSA-N 491.284 5.554 50 1 JKGF Cc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587673551 ODNHICZFDVGCEV-VOJFVSQTSA-N 461.600 5.723 50 1 JKGF COc1ccc2cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl 587685227 OOOXWISGOUBQPN-IPQOISQHSA-N 483.208 6.420 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(F)cc2)N1 587727476 BDUJDZZYNOHIMV-HXPMCKFVSA-N 459.172 5.680 50 1 JKGF COc1ccc(N/N=C2\S/C(=C(C#N)\C(O)=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 73198955 QBZLVLVSRIEGQT-ZEXHVQNZSA-N 469.526 5.224 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 587101662 IXKNBCZRNNVIIJ-ACJLOTCBSA-N 479.374 5.722 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@@H](Br)CCCCC[C@@H]2Br 587538927 SEJKVCBARXEMBD-OKZBNKHCSA-N 496.195 5.584 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Oc2ccccc2)cc1 587545292 QMULILMZYCEXTG-SHQCIBLASA-N 458.897 6.280 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587681788 ARYXYZUOHFMTOM-CFMSYZGJSA-N 471.153 5.233 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 587685241 OQZJERBLEIJLAG-ZSEKCTLFSA-N 453.783 5.343 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587686735 DNJBOYWYDLDVQA-QKFKETGDSA-N 461.806 6.012 50 1 JKGF C[C@@H]1C(=O)OC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(CO)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@]12C 2356403601 PAWRHQGDEKISOW-DKHPFGLYSA-N 472.710 6.540 50 1 JKGF CC(C=O)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc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c1nc(Nc2cccc(Br)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 28862116 MFKUOFHJCWUBET-KRWDZBQOSA-N 474.815 6.034 50 1 JKGF O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53293403 GLUCKWKLAVSGBT-VXKWHMMOSA-N 460.946 5.095 50 1 JKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccc(F)cc1 98082374 MSUSGNNIYSVMGU-HSZRJFAPSA-N 455.489 5.617 50 1 JKGF COc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324210 XEDZWUCYVNPVEA-FYYLOGMGSA-N 457.295 5.189 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(CC)c1C 587326012 JDTLDWRWNLYRKS-SHQCIBLASA-N 499.966 5.639 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)CC2=O 587450601 GMZKZRHAOLOKSB-GHTZIAJQSA-N 467.743 5.097 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)(F)F)cc1 587558899 YCIFFMOJUQSWHV-NQIIRXRSSA-N 495.247 5.543 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587616962 IDEYMHRHGAEQCN-HYBUGGRVSA-N 466.946 5.352 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 587681937 YNSWFRFZMVNNBD-WTAXBJLLSA-N 493.218 5.098 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587684037 JQZLMYCWDIXAHV-DXPJPUQTSA-N 497.839 6.764 50 1 JKGF COc1ccc2cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl 587685228 OOOXWISGOUBQPN-VERVWZFWSA-N 483.208 6.420 50 1 JKGF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)NN)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587932578 QJFYSMLKUPLHBP-RBTNQOKQSA-N 476.621 5.063 50 1 JKGF FS(F)(F)(F)(F)c1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 621477296 ATSYCRQMWRATMZ-UHFFFAOYSA-N 478.512 6.933 50 1 JKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857611228 XLGGFHLAFGEPJN-MRXNPFEDSA-N 465.362 6.131 50 1 JKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857613515 IVOWKYWTQLNZGI-MRXNPFEDSA-N 465.362 6.131 50 1 JKGF CC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356450999 QVXPDENFBGGWAY-NIYJGHKDSA-N 487.478 7.856 50 1 JKGF CN(CCCCCCN1CCCC1)CCSSCCN(C)CCCCCCN1CCCC1 40641027 OTPKKWONYOOSEC-UHFFFAOYSA-N 486.880 5.544 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)cc1 587322477 MNPOWEVERPCJRI-UGKGYDQZSA-N 496.159 6.487 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O 587464323 ODRXHRUPBSGMFO-RUZDIDTESA-N 491.937 6.871 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500993 VVHGXGUJSZDPGU-UPVQGACJSA-N 456.380 5.558 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1F 587567177 FRZGOTDXKRVZDR-LSYYVWMOSA-N 491.946 6.343 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cn(C)c3ccccc23)N1 587671973 CCTWEWQAIWPTGD-YUNKPMOVSA-N 466.192 5.253 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587684657 LKCNWSDFDFRWGT-PEBXRYMYSA-N 460.778 5.473 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587849347 SZKGVGBXPVWLOM-LAJNKCICSA-N 487.866 5.329 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587855057 TWYFJGYESBNDFQ-PRWKNARSSA-N 468.823 5.469 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CC(C)(C)CC2=C1[C@@H](c1cccnc1)C(C#N)=C(C)N2 963608545 LIOWVHILAVMAJY-GOXZMRQGSA-N 470.617 5.087 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc3[nH]ncc3c2)cc(OC)c1OCc1ccc(C(C)C)cc1 29126445 TTXIXDUJOGLVRH-CCVNUDIWSA-N 472.545 5.046 50 1 JKGF CC(C)[Si](Oc1ccc2c(c1)C[C@H]1OC=C3[C@H]1[C@@]2(C#N)CCC31OCCO1)(C(C)C)C(C)C 195498452 HINVQZBKXDUQES-TWJOJJKGSA-N 467.682 5.994 50 1 JKGF CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299831079 IUZRFBJVUDOICO-DXPJPUQTSA-N 496.563 5.797 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 586974136 RDNUKQZXKWGQPP-QMMMGPOBSA-N 476.543 5.263 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587010023 ZJOYZOYORFDZDX-KRWDZBQOSA-N 455.267 5.355 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3c(F)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056996 SVXXDVXUKWFUAD-QPEQYQDCSA-N 460.727 6.529 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587319444 BGOABNVCOMIOMZ-JTHBVZDNSA-N 491.740 5.843 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587321333 IWHNWGQFUWTBDB-UPVQGACJSA-N 455.323 5.797 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587326531 LSBKCYYWUNPVAX-YTMVLYRLSA-N 489.974 6.740 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587568435 LUGITRMMDHJXBV-SHQCIBLASA-N 477.919 6.035 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687809 IDTYIKNVGFWWKD-QLEMLULZSA-N 467.810 5.588 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688247 JZDCBLUZNKZZKY-OWJWWREXSA-N 475.833 6.321 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(Br)Br)N1 587850410 YVJWODSLNUHMQH-GLEZIHRCSA-N 498.053 5.543 50 1 JKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587852943 JQIICOVUPBXCPJ-YBTHPKLGSA-N 483.244 6.284 50 1 JKGF Cc1sc2c(c1C)CCN[C@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@H](C)Br 963016900 CSNTUUKTNRDXIB-NYHFZMIOSA-N 450.442 5.489 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCCCCCl)(c2ccccc2)N1 963173954 ACFYUCNFIHSKSR-PGRDOPGGSA-N 474.350 6.391 50 1 JKGF ClCCCC[C@]1(c2ccccc2I)NCCc2cccc(Cl)c21 963378646 HCFJJPJTIVFVLL-LJQANCHMSA-N 460.186 5.743 50 1 JKGF O=C(O)C1=Cc2cc(S(F)(F)(F)(F)F)cc(Cc3ccccc3)c2O[C@@H]1C(F)(F)F 1772651305 YLPACHDKURHZGI-INIZCTEOSA-N 460.342 6.726 50 1 JKGF CCn1c(-c2ccccc2)cs/c1=N\NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1857636932 KNJAJQSQQATVRQ-HYOGKJQXSA-N 497.576 5.021 50 1 JKGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@@]12CBr 2356592848 MLLBLQBCKASCLO-VSVUENFPSA-N 462.266 5.120 50 1 JKGF C[C@H](Cl)C(=O)Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 587102455 TZKVEQUNTWCRNG-AWEZNQCLSA-N 452.897 6.425 50 1 JKGF C[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130824 XKLUOQWBEHUDFV-YFKPBYRVSA-N 472.764 7.555 50 1 JKGF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(F)c2)c1 587147544 SRYGPFLWAAWERH-UHFFFAOYSA-N 488.409 7.400 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319841 DDJDABRLIMLZLC-IAVPUSHASA-N 481.361 6.058 50 1 JKGF O=C1CSc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 587373599 MGPLYYMBTTWLMO-VWNXMTODSA-N 469.921 5.069 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587504537 FCXHEHDEMSCYRP-YEJXKQKISA-N 453.298 6.228 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2)cc1 587539455 WNMYQCZMKBZAND-DHLKQENFSA-N 480.358 5.244 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587682155 BLXQGZVNRUXNON-WNSKOXEYSA-N 460.774 6.397 50 1 JKGF O=C(CCCCCN=C=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 653821114 VLDMKGBTAFMVEX-UHFFFAOYSA-N 470.396 5.738 50 1 JKGF CC(C=O)=CC[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356325521 YFYWSGKZEZRVCN-KRMKEHRPSA-N 456.711 6.629 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@]34O[C@H]4C[C@]12C 2356531080 YMOPKZYYURKDKI-HZPWPUHJSA-N 454.695 6.645 50 1 JKGF O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(C(F)(F)F)cc1)c1ccc(O)c(Cl)c1 13492728 KAGNGWJJGOZRPM-VFLNYLIXSA-N 471.866 5.831 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N/NC(=O)c3ccccc3)c2c1 42878497 DGXZEGHIZBBVMP-KBVAKVRCSA-N 463.503 6.960 50 1 JKGF N#C/C(=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1)c1nc2ccccc2s1 103285069 WPIFUTGHPMBEKZ-QOMWVZHYSA-N 477.570 6.847 50 1 JKGF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(S(F)(F)(F)(F)F)c3)c2F)cn1 224560238 NZPWUBYRCFLXPK-UHFFFAOYSA-N 475.458 7.369 50 1 JKGF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586890843 PJHNHULEVPPMNQ-QFYYESIMSA-N 471.289 7.128 50 1 JKGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325500 YFOANENZKRNZFF-CKMSVJFGSA-N 453.897 5.371 50 1 JKGF C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327650 QNAWLAITKNMHPG-AHWVRZQESA-N 467.924 5.763 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(Cl)c1 587538139 NTFITCUGGSDSED-WIYYLYMNSA-N 480.141 5.951 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587715963 YZMHBMDKWJBWJE-HUTHGQBESA-N 499.115 5.919 50 1 JKGF CSc1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587843189 HMVHWNAVUUJSPU-ZMZPIMSZSA-N 459.222 5.483 50 1 JKGF CSc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587848483 WQIUVPIDPVPILM-VOJFVSQTSA-N 459.222 5.483 50 1 JKGF C=C(C[C@H](O)C=C(C)C=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 2356611802 KUSJNVJEIABOSC-WPGPFJRTSA-N 454.695 6.693 50 1 JKGF COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 95602677 GGVSNNKLURXZPC-PMERELPUSA-N 499.570 6.500 50 3 JKGF O=C(NNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1 43640996 RZVBZLFCTLKLAG-UHFFFAOYSA-N 474.283 5.601 50 1 JKGF Cc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980190 QJWQNKLAYMBQNU-UHFFFAOYSA-N 458.206 6.866 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587047498 JBRUVSAEUUOKLA-UHFFFAOYSA-N 465.274 8.861 50 1 JKGF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCCCl 587328855 WEIIGXYCDJSKMQ-AHWVRZQESA-N 470.924 5.822 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)O2 587373565 RJEROQZWQONSKE-GDLZYMKVSA-N 467.952 6.532 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2Br)N1 587680165 SQOJWRFNDNNDMX-BBATYDOGSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587682057 BDVBIQOHFNXBTB-XTZNXHDOSA-N 451.594 6.302 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587683916 IJCZGGWKRFZFAC-NPMXOYFQSA-N 477.805 5.444 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587686453 CTRXLFRQROKINA-IVCQMTBJSA-N 489.860 6.629 50 1 JKGF C[C@H](Cl)[C@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2cc(Br)c(F)cc21 587855233 HXSBTOLBRWBMQO-OBNOACMVSA-N 478.818 5.898 50 1 JKGF N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923303 ZNUBISIKLYTRSA-BOPFTXTBSA-N 453.498 6.573 50 1 JKGF C[C@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857534470 BXUQCJOBNBBZFA-INIZCTEOSA-N 481.430 6.845 50 1 JKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@H]2OC(C)=O)CCC[C@@H]1C 2356684526 RKPLHWCOJKGGMT-GDFYOEGCSA-N 458.595 5.124 50 1 JKGF C[C@H]1CCc2sc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2C1 587032841 BPNORHXMJNAWJY-QMMMGPOBSA-N 473.330 7.836 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCO4)c(C)n1-c1cccc(Cl)c1Cl 587053754 AAKMVXCMSZVNIH-CHHVJCJISA-N 451.313 6.070 50 1 JKGF CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](Br)C1 587101664 IXKNBCZRNNVIIJ-SCLBCKFNSA-N 479.374 5.722 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)C(C)(C)CCC4(C)C)[C@@H](C2)C3=O 587412975 LBEIFWLKMAAWJW-RXFWQSSRSA-N 469.419 6.082 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC)cc3)c1C)CC2=O 587459997 KFEFWHCJHFEDKU-SANMLTNESA-N 453.966 5.860 50 1 JKGF O=C1C[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)Oc2c1ccc1c2CCCC1 587501285 WZABIGPXIYYYJB-MUUNZHRXSA-N 487.393 7.116 50 1 JKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCBr)c(-c3ccc(Cl)cc3)[nH]c2c1 587625110 BWDVMNPWFKYJQH-UHFFFAOYSA-N 470.638 7.463 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587684660 LKCNWSDFDFRWGT-RCDICMHDSA-N 460.778 5.473 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685747 RPGDBTXNDJPPFO-ASSNKEHSSA-N 453.783 5.343 50 1 JKGF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)NN)cc2[nH]1 587965365 RPYCRNOXPKVZRG-MASYSSOZSA-N 450.627 5.103 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCl)(c1ccc(Cl)cc1)N(C(=O)c1ccccc1N)CC2 963159039 PHCYYVFJEIIAPS-RUZDIDTESA-N 471.384 5.120 50 1 JKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C 2356632752 RGRCZGBEYSJVDE-NRVLJVOLSA-N 471.711 5.337 50 1 JKGF O=C(COc1ccccc1-c1ccccc1)NN/C=C1\SC(=Nc2ccccc2)N=C1Cl 263590728 LRJZBPXJILHBSA-QGNOBFDASA-N 462.962 5.266 50 3 JKGF COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 45260645 PECZGZCIUULDAM-JFLMPSFJSA-N 465.469 5.064 50 1 JKGF Cl[C@H](Cn1ncc2c(Nc3ccccc3)nc(SC3CCCC3)nc21)c1ccccc1 299867066 PTJTVFVEJBDKRO-OAQYLSRUSA-N 450.011 6.585 50 1 JKGF COc1ccc(C=O)c2cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)oc12 586904124 QCBQUQYNNXHVRS-UHFFFAOYSA-N 497.239 7.217 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)nc(C#N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054340 FJCDPPLNUXNWOM-VGOFMYFVSA-N 467.747 6.262 50 1 JKGF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587231848 WBBVLMKQMCRYNT-UHFFFAOYSA-N 498.477 7.110 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324862 VBKUECIIUQCBQC-GGCFSWKVSA-N 486.970 7.383 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)O2 587372879 NJNODYUDHDXCRU-QHCPKHFHSA-N 463.792 6.391 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423771 ZGEJBMRMAAWIDP-KBXCAEBGSA-N 495.213 5.771 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCCCl)cc1)([C@H](CC)c1ccccc1)CC2=O 587461249 RKPVSYYWZOVEJB-IRPSRAIASA-N 479.016 7.017 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587671050 OFKFDOXTCQADBG-LIBAHTEVSA-N 461.600 5.803 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587673933 RSMLIQHDLBNVHI-LHSJRXKWSA-N 485.235 5.940 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587682152 BLXQGZVNRUXNON-CMJOXMDJSA-N 460.774 6.397 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587688205 JRDRKXVVHFFNMO-SIJXKNKUSA-N 475.833 6.401 50 1 JKGF Fc1cccc([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962645132 SBQVWEHAVQNIJM-ZCYQVOJMSA-N 451.383 5.211 50 1 JKGF CC(C=O)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356567110 HOEAACPBPFPKCY-BHYXGAGOSA-N 470.694 6.723 50 1 JKGF CCN(CC)Cc1ccc(CO[C@H]2O[C@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 43911259 BYGPDRBTIOZSOT-IICGJGECSA-N 459.627 5.253 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(CNC(=S)CCCC[C@@H]2CCSS2)c1-3 72178100 UQEISUKMQDWLIR-ILBGXUMGSA-N 496.811 7.350 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)cc1 587329144 KQDPYGFKPXIFBF-OFNKIYASSA-N 493.275 5.782 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 587334052 OZIZAJDOMGBASN-GGAORHGYSA-N 475.285 5.328 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)CC2=O 587455566 CVDZJYILFIQSDZ-MQNRADLISA-N 489.406 5.940 50 1 JKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497791 KYHPYWPPTFBYHR-HHHXNRCGSA-N 480.391 6.305 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1 587542676 IEDYIVWDKNGBSO-RNHNHXFSSA-N 467.949 5.085 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587669926 GZMUXNZXXJLFLG-PVUDRZGPSA-N 487.207 5.167 50 1 JKGF COc1ccc(C)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673534 NVFQHLABTCXVLR-BUXKBTBVSA-N 457.181 5.078 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587685298 PMVGCPIUOWZDPH-AYLIAGHASA-N 458.158 5.445 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2c(-c3ccc(C)cc3)noc2C)N1 962946345 LOCJVQFMNFGXDZ-BVZFJXPGSA-N 464.407 6.003 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCc4ccccc4)cc3)(C(F)(F)F)C2)cc1 1772637627 PIYURKKVSBEPEH-AREMUKBSSA-N 462.471 5.829 50 1 JKGF Fc1ccc2ccn(CCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 1857538752 YFCIEXRBLHIDAK-UHFFFAOYSA-N 466.560 6.945 50 1 JKGF C[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(OO3)[C@H](C)[C@H](O)C(=O)C[C@@]5(C)C4=CC[C@]12C)C(C)(C)O 2356330167 PDKURZFMRJKEFO-GBPCRMJKSA-N 474.682 5.382 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(COC(C)=O)C(=O)CC[C@@]34C)[C@H]12 2356425770 RSWXPVPZBRSTKP-CQYSTFLBSA-N 496.732 6.955 50 1 JKGF O=C(CCl)Nc1ccc2c(OC(=O)CCl)c(-c3cccc(Oc4ccccc4)c3)c(=O)[nH]c2c1 27434733 SKKHRXPCDOFUBF-UHFFFAOYSA-N 497.334 5.309 50 1 JKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N/NC(N)=S)C=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 40846576 YANRQRJMZMFBNY-FETQAONNSA-N 492.217 7.434 50 1 JKGF CCN(CC)Cc1ccc(CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@]53OO4)cc1 43911271 BYGPDRBTIOZSOT-ZZLMAXIOSA-N 459.627 5.253 50 1 JKGF COc1ccc2nc(Oc3ccc(C)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103187811 ZSSIFQVGZUHGFC-DEOSSOPVSA-N 453.498 5.159 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299815063 RIYAQYSWWBDTAS-NNSPOHCASA-N 482.705 7.350 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587054772 IRAKNOFYUDVCJO-NTUHNPAUSA-N 477.277 6.102 50 1 JKGF FC(F)(F)c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Br)cn1 587116415 WCKRGOXWYCSCSK-UHFFFAOYSA-N 468.167 7.064 50 1 JKGF COc1cccc(-c2cc(-c3ccc(O[C@H](C)C(=O)NN)cc3)nc3c2oc2ccccc23)c1 587363573 UIBNPZXXNAJFCA-MRXNPFEDSA-N 453.498 5.081 50 1 JKGF C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546043 UVLYNAJUTRMRAS-DHLKQENFSA-N 451.906 5.227 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587671800 AZLQYFYTKOYEJX-WNSKOXEYSA-N 489.226 6.428 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587711774 MFEOHHWFDLEVOI-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 958066015 QKQTXECADDVHTN-UHFFFAOYSA-N 480.597 5.420 50 1 JKGF Cc1cc([C@@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c(C)n1-c1ccc(Cl)cn1 962667294 NMRVWCNEPSIAHG-MHZLTWQESA-N 462.424 6.438 50 1 JKGF Fc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1 1857597869 IRWNICGRWRYAKN-JSOSNVBQSA-N 487.558 7.273 50 1 JKGF CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356722166 ZNDFZMMMAFAVDM-GIGWZHCTSA-N 488.744 7.611 50 1 JKGF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(S(F)(F)(F)(F)F)cc3)c2F)cn1 224553076 XSNVXPPWDCSZQO-UHFFFAOYSA-N 461.431 7.582 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 587320281 FFDMWNQSKRGYPI-AHWVRZQESA-N 481.361 6.059 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324117 WCJVINPWCZYGKW-AMOXOZGRSA-N 455.323 5.878 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(CBr)[C@@]2(C)CBr 587456323 NLITWEGLVJUXJK-VLCNGCBASA-N 486.244 5.645 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)cc(Cl)c1OC)CC2=O 587456955 TUQAISGWFUFRER-FQEVSTJZSA-N 474.178 5.916 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(F)F)c(OC)c1)CC2=O 587464840 BBVJJVNDCDSDJO-NRFANRHFSA-N 471.294 5.210 50 1 JKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587537368 DLXIHVFCZORURF-RDGATRHJSA-N 491.341 5.138 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541863 DPZGEBSAFBWRRK-FPLUNSGBSA-N 487.335 5.409 50 1 JKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl 587685850 BLEICVWKOIRPEN-DMZKTXOQSA-N 487.240 5.952 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCC(F)(F)CC2)N1 587715417 CMCNDIPDVLOACM-BTDLBPIBSA-N 455.156 5.538 50 1 JKGF C[C@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857548930 YAUIYZINHDLDSU-INIZCTEOSA-N 481.430 6.845 50 1 JKGF O=C(OC(=O)C(=Cc1ccccc1)Cc1ccccc1)C(=Cc1ccccc1)Cc1ccccc1 2356311742 DOSSCVBZRKLATM-UHFFFAOYSA-N 458.557 6.709 50 1 JKGF CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43328085 HHPMHXYQGAXKTP-KKWWZTGVSA-N 463.014 6.222 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056881 SGYSTGAWIBOBLT-XNTDXEJSSA-N 491.300 7.240 50 1 JKGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 587277232 RBIVRGJGLLESQQ-NJSLBKSFSA-N 472.439 7.263 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 587323367 QWSUFJFJTAIZIL-VWNXMTODSA-N 455.323 5.657 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587326862 NGFPBENOHRFGSZ-FYYLOGMGSA-N 465.735 6.721 50 1 JKGF COc1cccc(-c2cc(-c3ccc(OCCCCl)c(OC)c3)nc3c2oc2ccccc23)c1 587358304 RCESPMSXTKEMDN-UHFFFAOYSA-N 473.956 7.340 50 1 JKGF N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587378772 WNCQBNNDORJBQJ-TZIWHRDSSA-N 458.308 5.114 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)O2 587380836 BNNKZQIAUZLCTE-KRWDZBQOSA-N 464.665 5.385 50 1 JKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497071 JUFFKVCRSJUAMQ-XTEPFMGCSA-N 475.972 5.681 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498314 MSGAQBUORWLTQL-GUNSETOZSA-N 485.967 5.585 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 587541516 CEPIPSGDHNZPOB-IGKIAQTJSA-N 487.895 6.063 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 587676591 HOMGKIQRAHQGSM-WTAXBJLLSA-N 493.218 5.098 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@]23c2ccsc2CCN3C(N)=O)N1 962703612 DLZCIBZXHOBKSZ-GJZUVCINSA-N 462.594 5.278 50 1 JKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(Br)=C(C=O)C[C@]4(C)[C@H]3CC[C@@]21C 1911582573 RKDBFFZSQCTZCN-VUIXFGHJSA-N 477.571 8.566 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 2356447763 CQYCAQYQKRBNHY-XLKFTZPSSA-N 452.679 6.613 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 58549978 CASWDFLWXWLZCX-LRLOGCLQSA-N 480.985 5.471 50 1 JKGF Fc1ccc(F)c(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)c1 96272498 NYXOLBZORIYRCC-KRWDZBQOSA-N 478.728 5.459 50 1 JKGF Oc1c(-c2ccccc2)cccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586896603 OTTULCZGRFUNOF-UHFFFAOYSA-N 491.279 8.022 50 1 JKGF O[C@H]1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586905169 YVQNMBGZVMMUKX-RISCZKNCSA-N 455.246 6.552 50 1 JKGF C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587098986 VKQIZLWRSPTMRM-QMMMGPOBSA-N 495.233 8.153 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 587324021 VOZNFKVUGZQJEZ-IRLDBZIGSA-N 472.266 5.089 50 1 JKGF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br 587324446 ZGEISMAKSFNIFD-SYBWYUPSSA-N 459.355 5.849 50 1 JKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587406649 CYQZKJJUGMUIJM-NDEPHWFRSA-N 465.533 5.659 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O 587417563 NXSUUJFABBHZDE-MHECFPHRSA-N 476.787 6.291 50 1 JKGF O=C1C[C@@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 587500199 SEDQXRROGCECKC-IZZNHLLZSA-N 481.817 7.216 50 1 JKGF O=C1C[C@](CBr)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587509897 YDNICGGWRDTOGR-FQEVSTJZSA-N 458.154 6.267 50 1 JKGF O=C1C[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)Oc2c1ccc1c2CCCC1 587511008 ZNHOWGMSUWKEHP-FQEVSTJZSA-N 475.251 6.118 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542212 GAJXVLMHXHBBLQ-SQHAQQRYSA-N 479.960 6.007 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1OC(F)(F)F 587557709 SLUFUGWYSUGDIW-GHTZIAJQSA-N 495.247 5.543 50 1 JKGF Fc1cc(Br)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl 587622183 CDNUDSPICQMKGH-UHFFFAOYSA-N 457.528 6.114 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671086 PNRIKZUUFVJZOR-ALLJEULLSA-N 483.263 6.447 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F 587711172 WCYNYDOSLCIXKN-YPMLDQLKSA-N 467.732 5.585 50 1 JKGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@]21c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961776915 AKLANRSPSGGXQE-NDEPHWFRSA-N 460.574 5.174 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963179642 MNMDPRNBWXRTAC-FXAWDEMLSA-N 457.279 5.230 50 1 JKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@H]3c3ccc(C(=O)Cl)cc3)nc(Cl)nc21 963928563 NMMRCEZCXQTDGM-FQEVSTJZSA-N 482.371 5.297 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3ccc(OC)cc3)CC2)OO1 43393531 ZXOODAKBXJKQOQ-CGCOGMFASA-N 457.570 6.473 50 1 JKGF CCCCCCCCCCCC/C=C/N(NC(=O)COC)C(=O)CCCCCCCCC 96940449 HZOWHYHEDAUGGZ-ZNTNEXAZSA-N 452.724 7.458 50 1 JKGF C=CCN1C(=O)S[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1=O 587040034 YZEAGZQVAFKBIT-SNVBAGLBSA-N 492.289 5.775 50 1 JKGF Cn1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587320615 FWCOGSGDECJJOU-ZCYQVOJMSA-N 480.333 5.672 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)cc1Br 587322731 OCMVJMONJSXNPZ-ISKFKSNPSA-N 489.768 6.404 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 587325757 HBELRPXAHCWXOB-IGKIAQTJSA-N 479.935 5.644 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)CC2=O 587495107 NJUYOZRMTCSYKP-XMMPIXPASA-N 472.994 5.629 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674624 YFBSHNFSMXSXSE-SZNDQCEHSA-N 469.236 5.959 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587685725 RMOGFLFGGSEQKN-ASSNKEHSSA-N 453.783 5.343 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(OCC(F)(F)F)cc1)N(C)[C@@H](C)C2 962558898 AWPNBJCNUVYHDF-LHSJRXKWSA-N 488.344 5.160 50 1 JKGF Cn1c(O)cc2cc([C@]3(CBr)c4ccccc4CCN3[C@@H](C#N)c3ccccc3)ccc21 963201174 FZTDRTSUBDHUNC-AHKZPQOWSA-N 486.413 5.645 50 1 JKGF C=C(C)[C@H](O)CCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753872 MUVCLXZNRJJIGV-WBAYHMBSSA-N 497.415 5.053 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 13151783 YCLFNFMIGLHWRQ-FOERDQFCSA-N 453.347 5.307 50 1 JKGF COc1ccc2cc([C@H](C)C(=O)NNC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 103190124 QVLQHVXMZZJHPD-ROUUACIJSA-N 456.542 5.065 50 1 JKGF CCc1ccc(C(=O)N(SOCc2ccccc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103215791 QOLRYXAHFKLTCH-UHFFFAOYSA-N 490.669 6.944 50 1 JKGF CCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321782 KQVRMNWWNBKJOV-ILBGXUMGSA-N 469.350 6.133 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2Br)[C@@H]1c1ccc(F)cc1 587324386 YHQAOQSCWBUFAI-GGAORHGYSA-N 475.741 5.873 50 1 JKGF CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C[C@H]1C 587326710 MVWWNILMHCODOE-BMXCLTIZSA-N 479.935 5.322 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O 587461087 WGXVZWVKXRYQOY-SOKVYYICSA-N 463.961 5.820 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587683906 IITQTJLRBJZLFD-MCMMXHMISA-N 467.810 5.589 50 1 JKGF Cc1c(O)ccc2c1[C@](CCl)(c1cc(C)n(-c3cccc(C(C)C)c3)c1C)N[C@H](C(=O)O)C2 963466497 DDESASXODMYSOK-HOFKKMOUSA-N 467.009 5.313 50 1 JKGF CC(=O)c1ccc(/N=N/N(C)C(=O)CCc2ccc(OC(=O)CCc3ccc(O)cc3)cc2)cc1 1772583988 ZMWSJKQPBFHKIV-ZQHSETAFSA-N 473.529 5.223 50 1 JKGF COc1ccc(-c2ccc([C@]3(C(F)(F)F)CC(c4ccc(C)cc4)=C(C#N)C(=O)N3)cc2)cc1 1772629215 QYBDWYUBHNPWBQ-SANMLTNESA-N 462.471 5.926 50 1 JKGF C=C(Br)[C@@](C)(Br)CC[C@H](Br)C(C)(C)Br 1635866 NPUWTHRIMANTOV-WPRPVWTQSA-N 455.854 5.766 50 1 JKGF C=C(c1ccc(Cl)cc1)[C@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 42891156 PMSUMZKUKLLYRA-OOMBGRCJSA-N 467.915 6.860 50 1 JKGF C=C(C)[C@H](O)CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 238764849 MUVCLXZNRJJIGV-JNLWGBRSSA-N 497.415 5.053 50 1 JKGF CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587327032 OEBZWXHOIYTHIQ-AHKZPQOWSA-N 479.935 5.324 50 1 JKGF N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327239 FSNHBLXYZXUDEN-GGAORHGYSA-N 473.447 6.019 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C(F)(F)F)cc4)c1C)[C@@H](C2)C3=O 587419412 CBJONCASLAJJDR-RDPSFJRHSA-N 475.894 6.003 50 1 JKGF O=C1C[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587501587 CHKYWQRAMOAVIW-HXUWFJFHSA-N 489.715 6.373 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671477 SDXITHODBRYEAL-OUWQEXSBSA-N 471.208 5.548 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 587855521 WFGSEOSOPGHQSW-LFVRLGFBSA-N 495.889 6.327 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962720019 ZNDWLDIMMRNEQS-LVXARBLLSA-N 475.073 6.191 50 1 JKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@@]2(C)CCC=C(C)C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356657681 QCSKWFANIUTEHG-GLYPRCQXSA-N 489.494 7.532 50 1 JKGF CCc1ccc(C(=O)N(SOC(C)(C)CC)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103214371 VZOPVPSWFOJCTE-UHFFFAOYSA-N 470.679 6.932 50 1 JKGF O=C1C[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 587004549 WRISOYIXQMVGNA-SECBINFHSA-N 483.256 6.618 50 1 JKGF FC(F)(F)c1cccnc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587107650 DMIISTCAQMTHRM-UHFFFAOYSA-N 468.167 7.064 50 1 JKGF Cc1cc(C#Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] 587262384 RCWRVAUKEFJMEO-UHFFFAOYSA-N 482.228 6.599 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@H]1c1ccc(F)cc1 587329689 YVKZLZQNDFPBKT-NZQKXSOJSA-N 457.288 5.554 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@@H]2Br)[C@H]1c1ccc(F)cc1 587375437 SKSHZQNECSRRJT-ONTIZHBOSA-N 459.336 5.557 50 1 JKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424082 WZYPWZZZNPNHMW-PRVBGKCFSA-N 462.973 6.150 50 1 JKGF O=C1C[C@](CCl)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 587531443 KFSJRJZBGPWZEO-SFHVURJKSA-N 490.644 6.251 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1coc2ccccc12 587537451 FOXCGQISDAICNY-REWPJTCUSA-N 451.272 5.390 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C2CCCCC2)cc1 587539952 YXHDSABQKVIEST-SHQCIBLASA-N 493.397 6.692 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCBr)cc2)N1 587673918 RLHUPPMWBQAGPY-BUXKBTBVSA-N 457.181 5.376 50 1 JKGF CCCCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587673934 RSMLIQHDLBNVHI-QKKBWIMNSA-N 485.235 5.940 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl 587683389 GRGQZFUDWUHRIN-NSHDSACASA-N 492.087 6.040 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587716305 ZQARKMMQXXUBOH-HUTHGQBESA-N 499.115 5.919 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587959476 FEYNKVQNUQYFRU-AAEUAGOBSA-N 453.274 7.329 50 1 JKGF COc1ccc([C@@]2(CCCCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963135253 DQUJTMAKXQLSSW-DVECYGJZSA-N 495.041 5.441 50 1 JKGF Cc1ccncc1-c1cc(C(F)(F)F)cc([C@]2(C(C)C)C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 1772601795 YWPWYEXHUQGFAN-HSZRJFAPSA-N 453.468 5.136 50 1 JKGF N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 103173794 QHTSYNBPPLWIAX-YCDBXGQUSA-N 470.359 6.930 50 1 JKGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCCOCC1 138844366 WUQJEKYUMOKBCV-UHFFFAOYSA-N 483.649 5.272 50 1 JKGF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)CCCCCBr)ccc3CC[C@@H]12 473126651 UKSOXNKLVWANTR-HUVFLSCGSA-N 465.428 5.731 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 587322591 NLXVDHWERHLGFU-RBBKRZOGSA-N 496.159 6.487 50 1 JKGF C[C@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324198 XBOFZMXCWMFPKQ-LADGPHEKSA-N 471.322 5.579 50 1 JKGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324841 AIRVHTQLMJLCKH-RCZVLFRGSA-N 455.913 5.426 50 1 JKGF COc1ccc2[nH]c(C)c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587327298 OTIFVAFXSRUEKW-AHWVRZQESA-N 465.908 5.823 50 1 JKGF C[C@]1([C@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333224 MQNMJRGVAWZCHI-CQOQZXRMSA-N 473.313 5.794 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 587372265 FETKEEHEOSXBEF-UNMCSNQZSA-N 451.346 6.520 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)CC2=O 587466911 QHEUPRZIKACFLI-LAUBAEHRSA-N 457.286 5.492 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542206 GAJXVLMHXHBBLQ-IGKIAQTJSA-N 479.960 6.007 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C 587546762 XNYROAMGAZCYJK-WNJJXGMVSA-N 487.983 6.512 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674709 ZPKWUKQTQLIEML-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 587853744 RGIDFXDLRLCNMU-WSVYEEACSA-N 482.850 5.777 50 1 JKGF FC(F)(F)c1ccc([C@]2(CCCCl)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962634437 HPDRSADOVGNELE-XNMGPUDCSA-N 484.993 6.715 50 1 JKGF COc1ccc(C2=C(C#N)C[C@](c3ccc(OC)c(O)c3)(c3cc(OC)c(OC)c(OC)c3)O2)cc1 1772602521 JVIRUZRRJPIWML-NDEPHWFRSA-N 489.524 5.034 50 1 JKGF O=C(CCl)Nc1ccc(Cn2nc(-c3ccc(Oc4ccccc4)cc3)cc2C(=O)O)cc1 1857595887 KYGDDCXDIVVVAW-UHFFFAOYSA-N 461.905 5.266 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C 2356555406 UIBBRXVBQYADRW-YGAQHBIRSA-N 477.571 8.072 50 1 JKGF CCCCC(CCCC)N(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1cc(C)cc(C)c1 43078704 FUEZBWFUNJLZTJ-UHFFFAOYSA-N 463.449 7.146 50 1 JKGF C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@@H](C)COC(=O)CBr 87613198 HZDZLOAWXHMZSL-LQWGZMKQSA-N 451.445 5.731 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@H](C)OO)CC[C@]4(C)CC[C@]23C)C1(C)C 255222603 KHDIRIGQBDNIRR-PILAVQADSA-N 488.753 7.898 50 1 JKGF O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1)N1CCC1 586955848 OEGZHALPYRBINC-UHFFFAOYSA-N 473.876 5.935 50 1 JKGF Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587181726 AVYUOWHWVSWAPZ-MRVPVSSYSA-N 478.228 5.939 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 587323241 QKDDJEKCVRHLIY-ZCYQVOJMSA-N 467.334 5.669 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587326061 JKTHTGJYYYZWMK-IRLDBZIGSA-N 451.708 6.331 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 587543171 JSKGIFHDVSLOHT-LBNVMWSVSA-N 454.909 6.059 50 1 JKGF CCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587673153 KXRBOXQEBJPAAT-RBZFPXEDSA-N 455.209 5.713 50 1 JKGF COc1ccc([C@@]2(C(Br)Br)c3c(F)cccc3C[C@H]3CCCN32)cc1OC 963098295 GKKHVOCLLODJMK-VFNWGFHPSA-N 499.218 5.223 50 1 JKGF Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(Cl)cc1)=N\NC(=O)c1ccccc1 5580233 DQIXTIBFCNYOEP-HDDKTPPPSA-N 497.990 6.158 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccn2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802460 POFXSIUSYWVOOB-GNRBUDOSSA-N 475.492 5.050 50 1 JKGF C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 64361329 JDCCUWOOHPHLSL-YJTDDUBDSA-N 454.566 7.145 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(F)cc1)OO2 64446552 ZYDBWBFHTLEFML-ZATZZNNRSA-N 469.556 7.448 50 1 JKGF COc1ccc(N/N=C2\S/C(=C(C#N)\C(O)=N\c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 73198957 RTPJEMRUXZSPKW-IUBPNNFHSA-N 483.553 5.532 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(OC(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055697 MEFGBKXKWZREBW-WOJGMQOQSA-N 465.384 7.129 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCCCl)cc1)([C@H](CC)c1ccccc1)CC2=O 587461253 RKPVSYYWZOVEJB-VAVYLYDRSA-N 479.016 7.017 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587496992 BEPITTVCJMWBTN-LRTDBIEQSA-N 464.197 5.972 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498844 IUBXSTLIIUWCTB-XMMPIXPASA-N 452.348 5.784 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546205 UWAAPWQHHMBDMT-UWYNZWELSA-N 479.960 5.861 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587851808 COPWHOCBNNTCMD-BIBXISHDSA-N 468.823 5.469 50 1 JKGF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc(S(F)(F)(F)(F)F)c1 962624217 BGRCEIOXFCYSSS-CJNGLKHVSA-N 477.373 6.239 50 1 JKGF Clc1cc(Cl)c2c(c1)[C@@](c1cccs1)(C(Br)Br)NCC2 963125038 RSBYDNRMXVJSGV-CQSZACIVSA-N 456.030 5.560 50 1 JKGF CCN(CCCl)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963185231 KUPVIYJKVABYID-OALUTQOASA-N 461.311 5.112 50 1 JKGF COc1ccccc1[C@]1(CCCCCCl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963196610 QPKVOZBALTUCIF-YTMVLYRLSA-N 459.033 6.861 50 1 JKGF CC1=C(CCO)SSC(CCO)=C(C)N(C=O)CCCCCCCCCCCCN1C=O 299815076 SDZBPJBCZNNPSA-UHFFFAOYSA-N 486.744 5.427 50 1 JKGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CNC(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 473158150 VJEPROMHGDLYJG-HLBASKQBSA-N 476.665 5.039 50 1 JKGF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587203871 NCRFJDAZTFUTHX-LLVKDONJSA-N 493.296 5.062 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587333049 UWYATZGUUVGEQK-UNMCSNQZSA-N 450.815 6.043 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)CC2=O 587461767 SSZUGVULHWYHOW-HMILPKGGSA-N 496.003 5.703 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 587500218 YWICFLWCQHFAPW-SANMLTNESA-N 488.842 7.379 50 1 JKGF Nc1c(Cl)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587537821 KOYYBTMUJKIFKG-UTKZUKDTSA-N 495.156 5.533 50 1 JKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615737 XROHYGJIDVLOOB-NDKUEENFSA-N 488.952 5.762 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587669204 BHJGHIJZLJBXRG-ZKTNFTSUSA-N 457.181 5.158 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587686464 CWMCSHBTKGRIIM-CQLKUDPESA-N 472.012 6.477 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587687722 HJVOTDGYVQAZAB-WHEQGISXSA-N 465.794 5.664 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587687840 ISSPOIMXYOBQSK-JCQPUDPBSA-N 496.251 6.666 50 1 JKGF COc1ccc([C@@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962700122 FRJNOCVIVSGNOU-LVXARBLLSA-N 462.074 6.631 50 1 JKGF CC1(C)C(=O)C(C#N)=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 40616218 DJZYIERQZBQQGZ-RXIIWLIMSA-N 491.672 6.291 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2cccc(C(F)(F)F)c2)ccc1O 45339693 PNZOORSWPSOOMO-VPUKRXIYSA-N 498.383 5.341 50 1 JKGF Cc1ncc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1OC(C)(C)OC2 96908094 MTHXNVBFYDVDSL-UHFFFAOYSA-N 454.530 5.529 50 1 JKGF N#C/C(C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)=C(/O)c1ccc(C(F)(F)F)cc1 100878046 WPBIKUZMDZXFBE-MRCUWXFGSA-N 474.891 6.941 50 1 JKGF CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 299812431 NUVDETAVXDNNIF-UOWFGCLISA-N 452.639 6.203 50 1 JKGF C[C@@H](SCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586963693 QFYQDXMKFZYLJY-SNVBAGLBSA-N 473.330 7.977 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587325760 HBELRPXAHCWXOB-SQHAQQRYSA-N 479.935 5.644 50 1 JKGF C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327651 QNAWLAITKNMHPG-AOYPEHQESA-N 467.924 5.763 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(Br)c(F)c2)Oc2c1ccc1c2CCCC1 587506916 QTEZXHLEAYAPAE-HXUWFJFHSA-N 468.160 5.723 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1F 587567176 FRZGOTDXKRVZDR-LEAFIULHSA-N 491.946 6.343 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685938 SDPCHPUDHRNPSR-YEJXKQKISA-N 453.783 5.199 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587716311 ZQARKMMQXXUBOH-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2sccc2Br)N1 587844415 NSVFEMMWNXIQJW-AYVTZFPOSA-N 453.602 5.429 50 1 JKGF CCCCCCCCCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911578429 BBAVCRVXXXLYKF-UHFFFAOYSA-O 489.704 9.262 50 1 JKGF CC(C=O)=CC[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 2356325518 YFYWSGKZEZRVCN-CCENEOLZSA-N 456.711 6.629 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CN(CCBr)C(=O)O5)[C@@H]1CCC2=O 72112728 GCALLSGPOHMFHS-VCENLASZSA-N 452.433 5.184 50 1 JKGF COC(=O)C(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCCl)-c2ccccc2C4=O)cc1 587103829 LUFACDBJGNWUMX-UHFFFAOYSA-N 469.968 6.345 50 1 JKGF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587167654 PNUJJQXUPHEYTK-UHFFFAOYSA-N 499.483 6.889 50 1 JKGF Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587322948 PRCUMPXPPRRUEE-LADGPHEKSA-N 455.323 5.797 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587324999 BNDCTWVWDLPMRI-PXJZQJOASA-N 489.974 6.740 50 1 JKGF COc1cccc(-c2cc(-c3ccc(NC(=O)CCCCl)cc3)nc3c2oc2ccccc23)c1 587358258 QRDGYHNOOWFVNB-UHFFFAOYSA-N 470.956 7.281 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587546331 QFSUNINFYBPHBG-SQHAQQRYSA-N 492.911 5.312 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(Cl)ccc(F)c1Cl 587553063 DKGMKVRCYGZDJQ-LAUBAEHRSA-N 453.680 5.934 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC(C)(C)CC1=C2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 963241901 OMVWCROXPRZPOF-UQKGSUGDSA-N 488.075 6.774 50 1 JKGF COc1cc(N2C(N)=C(C#N)[C@H](/C=C/c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45260602 VYLUCRHNOYXIPM-SGWGQVFISA-N 485.584 5.199 50 1 JKGF Cc1cc(=O)oc2cc(OCCCCCBr)cc(OCCCCCBr)c12 66076698 VUTMVGCVUHTYNS-UHFFFAOYSA-N 490.232 5.989 50 1 JKGF CCCCC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 100985672 HGEAFZCTSYJOIK-KTMFPKCZSA-N 467.373 6.690 50 1 JKGF CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 299812430 NUVDETAVXDNNIF-SKWBQNNWSA-N 452.639 6.203 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057626 VVPGNMJVYIHMST-XSFVSMFZSA-N 499.401 8.134 50 1 JKGF CCOC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321296 IQTBCTFCFVTWQW-RDGATRHJSA-N 499.332 5.357 50 1 JKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324381 YFDSCILFJQJXIN-PZUNEJSGSA-N 469.350 6.205 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2cccc(Br)c2)[C@H]1c1ccc(F)cc1 587324969 VXKBFBXJOKEAPR-GMAHTHKFSA-N 475.741 5.873 50 1 JKGF CC1(C)CCC(C)(C)c2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587498939 KIGCJKXXSWZHDV-MUUNZHRXSA-N 481.474 7.170 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C2CCCCC2)cc1 587539944 YXHDSABQKVIEST-IGKIAQTJSA-N 493.397 6.692 50 1 JKGF Cc1cccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C 587564192 NMAZJFYYWYFFIR-UHFFFAOYSA-N 457.262 7.179 50 1 JKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587672841 IMBYTZMMYYCQAS-BIBXISHDSA-N 467.176 5.816 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587728165 DFIIEOCFJPQMRK-NPMABZOXSA-N 479.796 6.151 50 1 JKGF Cc1cc([C@]2(CCCCCl)NCCc3cc(-c4ccccc4)ccc32)ccc1Br 962675706 YBMNZSVYSIAUOG-SANMLTNESA-N 468.866 7.223 50 1 JKGF Cc1sc2c(c1C)CCN[C@]2(CCl)c1cc(C)n(C(c2ccccc2)c2ccccc2)c1C 963012961 RWDPFHKJADHMSM-GDLZYMKVSA-N 475.101 7.049 50 1 JKGF N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 95602100 GRRMQESGMGKRHY-IBGZPJMESA-N 458.348 6.990 50 1 JKGF C/C(=C/CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO 238780285 ADDJEJWGIYLORW-OBQYAXQJSA-N 497.415 5.055 50 1 JKGF COc1cccc(-c2cc(-c3ccc(O[C@@H](C)C(=O)NN)cc3)nc3c2oc2ccccc23)c1 587363572 UIBNPZXXNAJFCA-INIZCTEOSA-N 453.498 5.081 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418976 FRSXTQSBYNKTDW-UGSOOPFHSA-N 461.661 5.405 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671484 SERJYKYUIWULCN-FDMGOTLNSA-N 491.626 5.811 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 587674587 XRNPSAYDUJTTPJ-NPMXOYFQSA-N 489.226 6.309 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587686303 CFOPJDUVEOHZFD-YLGBZRSBSA-N 457.815 5.231 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711826 INVXIIZMUDFZNM-DYZYQPBXSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 587719708 QMMRVEPSYGBMFN-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 587724284 GQDJULKNWSKPRZ-APTHUUICSA-N 493.617 6.136 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1c(F)ccc(Br)c1Cl 963224948 FDCPZKFPCMIGNY-RBZFPXEDSA-N 489.654 6.537 50 1 JKGF C=C(C)[C@H](O)CCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753869 MUVCLXZNRJJIGV-HLWIUKTHSA-N 497.415 5.053 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 586973745 NTYWZTHKCUCIOC-MRVPVSSYSA-N 473.994 5.530 50 1 JKGF C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325860 HCBPINFANBDPQD-AZGAKELHSA-N 467.924 5.763 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(F)c2F)[C@H]1c1ccc(F)cc1 587330617 HUKISFUXLTVOIY-PGRDOPGGSA-N 481.239 5.598 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587541612 CMODXZXHJPVOKO-IGKIAQTJSA-N 494.374 6.549 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541861 DPZGEBSAFBWRRK-DSCPYAKFSA-N 487.335 5.409 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587544085 MLWDSWKKMXRYEB-LSYYVWMOSA-N 473.956 6.204 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546595 WWDVVPGBIQXKIE-NCDVJINYSA-N 465.933 5.615 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 587673677 PCSJXNBVQWHIRL-MGNBDDOMSA-N 477.599 5.639 50 1 JKGF CSc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587843187 HMVHWNAVUUJSPU-BBATYDOGSA-N 459.222 5.483 50 1 JKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587852942 JQIICOVUPBXCPJ-PRWKNARSSA-N 483.244 6.284 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 587856704 YYQWQYSXHFNQGF-CMILKDJGSA-N 486.410 5.325 50 1 JKGF Cc1cc([C@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c(C)n1CCc1cccs1 962674451 XMNFKDNCJONDJR-MUUNZHRXSA-N 461.074 6.704 50 1 JKGF C[C@]12CC[C@@H](I)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2178319815 AIQXQYWMCOFHBT-CTZIAKJASA-N 484.418 5.047 50 1 JKGF C=C1CC[C@@H]2[C@](C)(CCC=C(C)C)[C@H](Br)CC[C@]2(C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356657684 QCSKWFANIUTEHG-SFZWCLMXSA-N 489.494 7.532 50 1 JKGF C=CCCC1(C[C@H](Sc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)OCCO1 73315381 IXPNUUDYPSCIGN-SANMLTNESA-N 464.567 6.218 50 1 JKGF Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879763 QSPYUKUDXMDUEJ-UHFFFAOYSA-N 454.420 7.561 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587056969 SPEGXDXPJXLUBX-KPKJPENVSA-N 458.740 5.149 50 1 JKGF O=c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587059565 WRDJNEKUJWADSL-UHFFFAOYSA-N 496.288 7.404 50 1 JKGF N#CSC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370940 YZIIJRZAZJPUBM-VPUSJEBWSA-N 455.510 6.153 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Oc3ccccc3)cc1)CC2=O 587456292 MNBQRYXYQCYLQR-RUZDIDTESA-N 467.359 6.393 50 1 JKGF O=C1C[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587509898 YDNICGGWRDTOGR-HXUWFJFHSA-N 458.154 6.267 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545369 RCEQMURVVXQMGZ-JYFHCDHNSA-N 465.933 5.473 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1C(F)(F)F 587550367 VBQRFGAQIJDWOD-WIYYLYMNSA-N 497.238 5.802 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Cl 587566964 CORSTZCGRVZGPN-GHTZIAJQSA-N 463.686 5.437 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2)N1 587677082 GJNKMWCVBLIAGK-ADLMAVQZSA-N 461.600 5.757 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689293 RMLGNMVGJZIBHC-MYYSRTQBSA-N 475.833 6.321 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 963227655 JZZMHWLDZUJSMZ-XRHLQHRESA-N 492.044 5.798 50 1 JKGF CC(C)=C[C@H](O)CC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356608086 CMKAMRUVQONAPO-ZYVKACNBSA-N 474.726 6.612 50 1 JKGF CCCCCCCC[C@H]1CC2=C(C[C@H](CCCCCC)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356741065 GOPLCHHJWCAECO-OALUTQOASA-N 476.610 5.970 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802415 WHMKSCJYJAAYLF-CPLXHHTASA-N 474.504 5.655 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(C)(C)C)CO[P@@](C)(=O)F 95554839 CNYUFYQLPJSYRG-FANGYRGZSA-N 492.653 8.560 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3c(Br)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054672 HPTYDJSLTVRCQI-ZROIWOOFSA-N 487.188 6.499 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071418 MVCPWPPWUZOOCL-IZZDOVSWSA-N 486.893 8.623 50 1 JKGF Fc1cccc(C2(F)CC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)C2)c1 587131598 PLJCWXCQUJJVFC-UHFFFAOYSA-N 489.254 7.864 50 1 JKGF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587202208 GOWXUSAYDMTZPQ-OAHLLOKOSA-N 465.400 5.663 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Cl)ccc(F)c1Cl)CC2=O 587468929 ZQKAYQJRQURTBV-IBGZPJMESA-N 462.142 6.046 50 1 JKGF CCc1cccc2c([C@@]3([C@@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587496827 FVEAEGNRWKWIKH-XZWHSSHBSA-N 470.012 7.450 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2ccccc2o1 587539961 ZAGAASTVOBPYCO-OFNKIYASSA-N 451.272 5.390 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Cl)c1Cl 587552895 CNZABAOODBCDBQ-DYESRHJHSA-N 498.131 6.090 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCl)(c2cccc(F)c2)N1 963175410 BJPPLAUVQSJHMF-PZJWPPBQSA-N 478.313 6.140 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2cccc(F)c2)N1 963184807 UCTDELBLNCEUSB-UNMCSNQZSA-N 492.340 6.530 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587088073 SYCSWCOVEMSMAM-UHFFFAOYSA-N 472.664 7.785 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324153 WPWIJDPWRBAXNE-AHWVRZQESA-N 498.392 6.027 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)O2 587370972 CBQSEMOWFCFLNV-DEOSSOPVSA-N 455.341 5.317 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)CC2=O 587456544 QQLXCVHBQCYLIS-DQEYMECFSA-N 485.805 6.995 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538903 SBEIURLQOAOQJB-ISSICYQNSA-N 481.386 6.330 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670617 LZBKKAICLZXBDN-DDBGAENHSA-N 461.600 5.803 50 1 JKGF Cc1ccc([C@]2(CCCCCCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1F 962663469 JWEUYBXJGZNIJZ-SXOMAYOGSA-N 469.000 5.824 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 169350206 IJLWXMAZQWVPRJ-FMJYXPTISA-N 458.727 8.273 50 3 JKGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1)N2 13151900 BGFCFSUMQMMXNS-WWCQIOBWSA-N 479.001 6.836 50 1 JKGF CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O 14556965 KVTCHSWVSFQOTP-MLCUZWMQSA-N 474.726 6.612 50 1 JKGF O=C1c2cc(-c3ccccc3)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr 28711215 SXYOQBXXQGKSRJ-UHFFFAOYSA-N 489.325 5.573 50 1 JKGF COc1ccc(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587322792 OUGUAPVVDROECK-ISKFKSNPSA-N 487.321 5.198 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324154 WPWIJDPWRBAXNE-AOYPEHQESA-N 498.392 6.027 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587510708 XNCFUAYAMSJQBQ-HXUWFJFHSA-N 475.251 6.118 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687109 FLLNSVZXAJMJPJ-SOHPYSCWSA-N 467.810 5.732 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587687203 YZBDWEBCTVAOAF-RZFZLAGVSA-N 470.769 5.698 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](Br)c2ccccc2F)N1 587730657 XGPASABIMDNMMI-WWGWPZPMSA-N 471.183 6.003 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2Cl)N1 587734788 VTZOGPMWEVGRLM-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF C[C@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857549105 VGBFKTWZKPGUFJ-KRWDZBQOSA-N 490.372 6.003 50 1 JKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12)OO 2356460093 JOMWQAFTYLTZSF-RSVLJJSSSA-N 498.660 5.706 50 1 JKGF C[C@@H]1C(C=O)=C[C@H](O)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 2356519998 VPUGJHCMFDNBBF-WPAKEVIYSA-N 456.711 6.175 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O 28647073 BDNMFPOVAWCGRX-RGITXCIPSA-N 490.725 5.201 50 1 JKGF COc1cc2oc3c(c(=O)c2c(O)c1/C=C/C(C)C)C[C@@H](C(C)(C)OO)Oc1cc(O)ccc1-3 49881394 UYYZSBJGWJNBMX-PVHVJQTOSA-N 468.502 5.121 50 1 JKGF biogenic,in-vitro COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 58621978 YKSBFBSHBBLBBW-OZTOYSSASA-N 495.012 5.559 50 1 JKGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 103206957 ZRWPDFBYTSGNFT-HXUWFJFHSA-N 460.331 5.412 50 1 JKGF CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3ccc(Br)cc3C[C@@H]12 140498827 VHIWRGQDBRDIMI-OFQRWUPVSA-N 467.039 5.717 50 1 JKGF C/C(C=O)=C/CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 238783530 FPOOHFGLFKYUON-OJIVOAOYSA-N 495.399 5.261 50 1 JKGF COc1ccc2c(C(=O)/C(C#N)=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c[nH]c2c1 299831413 YZPQVDKDYHOMGO-XDHOZWIPSA-N 465.940 6.623 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055787 MUCBIPRSFXWTBY-MHWRWJLKSA-N 485.396 5.745 50 1 JKGF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587109852 OKKFCDXEDVKCQG-UHFFFAOYSA-N 485.169 7.808 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Cl)[C@@H]1c1ccc(F)cc1 587332132 JDAKXEABNSPNLQ-IFMALSPDSA-N 479.704 5.973 50 1 JKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl 587687475 GVLFSWOCGAKSHW-MCMMXHMISA-N 487.240 5.952 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587736392 ZQHJTYNMHYCBLG-ZAMGYDSWSA-N 479.796 6.151 50 1 JKGF COc1ccc2c(c1OC)[C@](C)([C@H](Cl)C(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674690 YMYZGUZASJPNCK-FYYLOGMGSA-N 469.931 5.900 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2c(F)cccc2CBr)N1 963185894 QKUZFUVVJUWAEP-ZBFHGGJFSA-N 466.656 5.081 50 1 JKGF O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccc(Cl)cc1 1911574372 WBQZBONLWMDKAS-KAVGSWPWSA-N 455.168 5.675 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 2356506327 ALBRPHJUQRKZLQ-VPPRWSQVSA-N 454.695 6.837 50 1 JKGF COC(C)(C)[C@H]1CC[C@]2(C)C[C@@H]1C(C=O)=C1O[C@](C)(OC)C=C1[C@H]2C=COC(=O)C=C(C)C 2356850437 PPXRXBGYJKHNJU-AGGMEVEZSA-N 458.595 5.259 50 1 JKGF Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84713358 UTJJWJFPCVPPOT-DEOSSOPVSA-N 484.003 5.960 50 1 JKGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCC1CCNCC1 137714162 VQIYJIFNWDDZGW-UHFFFAOYSA-N 453.623 5.550 50 1 JKGF O=C(CBr)Nc1ccc(CCCN2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1 169346306 URWZGTDHKQOOFP-VXQMPNGUSA-N 497.477 5.417 50 1 JKGF C=C1CCC(C)=CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I 195236094 BWCWRUFCLLPMEZ-DENIHFKCSA-N 482.522 8.047 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587001851 REUDWPIWWHQNBZ-DAFODLJHSA-N 483.256 6.924 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321742 KMWMSFGGEZLVEN-XGHFZOJJSA-N 485.305 5.298 50 1 JKGF COc1cc2c3c(c1)O[C@@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421234 OOVJWHCGGKKLEU-AOMKIAJQSA-N 477.529 5.818 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537720 JTVAQRKCCBAINP-NFBKMPQASA-N 455.304 5.043 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1Br 587538689 FUTHNCQFUHFHPG-SIKLNZKXSA-N 459.723 5.337 50 1 JKGF C[C@H](Cl)[C@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687768 HWVQWJBOLAMRAT-IDFMNXDXSA-N 461.766 5.218 50 1 JKGF CCOC(=O)c1ccccc1[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1 963002283 ZBSNKZUOFOMYCT-HSZRJFAPSA-N 471.420 5.017 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356492729 BJRGCOCQXMDCDB-YDMYOYKNSA-N 464.282 5.364 50 1 JKGF CC1(C)CC[C@]2(C#N)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 3992427 VKTPMWHWKXESHY-BJWRZOFESA-N 472.673 6.730 50 1 JKGF COc1ccc(/C=C2\CC[C@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@H]32)cc1OC 5844879 NHTZNOQMXDOAAM-FRQJJYFTSA-N 474.557 5.081 50 1 JKGF Nc1c2c(nc3cc(Cl)ccc13)C[C@@H](CNC(=O)CCCC[C@H]1CCSS1)CC2 13607702 YNUALVMKORREBG-HOCLYGCPSA-N 450.073 5.406 50 1 JKGF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CN(CCCl)CCCl)C[C@@H]21 29234851 DSJLYWOVMISFMW-NHCUHLMSSA-N 454.482 6.496 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 137623140 CASWDFLWXWLZCX-IDQGLQTJSA-N 480.985 5.471 50 1 JKGF CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C=CN(C(=O)Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 210995661 GJMDXIDAZLCTAX-RPBOFIJWSA-N 465.622 5.015 50 1 JKGF N#CSC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370118 TWZNPDLGTYOXLJ-FYYLOGMGSA-N 484.346 5.762 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC(F)(F)F)c1F)CC2=O 587464304 NSFNQUUUEYCUGZ-IBGZPJMESA-N 477.248 5.638 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 587543178 JSKGIFHDVSLOHT-NAKRPHOHSA-N 454.909 6.059 50 1 JKGF CC(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 587543845 LVBZWMSZKAMSFE-SQHAQQRYSA-N 450.962 6.735 50 1 JKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587722671 ZNNQTTRYNJNQRR-JJQCHNSYSA-N 463.135 5.428 50 1 JKGF CSc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846327 QPZKXVCUZXQHAP-BBATYDOGSA-N 459.222 5.483 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@@]2([C@@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@H](O)O1 2356461793 UYSHRHKOHCLBCE-AAIYONIQSA-N 486.693 5.724 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1Cl 13675525 PPMWRRMPIHGEFC-HSZRJFAPSA-N 497.426 6.285 50 1 JKGF C=CCCC/C=C/C=C\CCCCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 44431136 OIOHXMLWKIEBPV-DMXRYRBDSA-N 462.671 7.166 50 1 JKGF O=C(NCCCCl)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 473137796 ZSADDEGTQMIOMP-UHFFFAOYSA-N 479.680 5.438 50 1 JKGF O=C(Nc1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1)c1cccs1 587018939 CDBBDBAGEYUUNG-UHFFFAOYSA-N 466.482 6.581 50 1 JKGF O=C(N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202471 IOWCQSMCYWOAGH-HNNXBMFYSA-N 465.400 5.142 50 1 JKGF CSc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615354 XGUNEWRIRSNKCY-DENIHFKCSA-N 457.345 5.366 50 1 JKGF CC(C)c1ccc([C@@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672301 ZKMYKQRMNHRNFY-ZMOMAAQPSA-N 469.236 6.273 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587736389 ZQHJTYNMHYCBLG-NPMABZOXSA-N 479.796 6.151 50 1 JKGF COc1ccc2c(c1)[C@](c1ccc(Br)cc1)([C@@H](C)Br)N(C(C)C)CC2 962092956 RPDQHEDATARUIQ-QVKFZJNVSA-N 467.245 5.751 50 1 JKGF COc1cc2c(cc1OC)[C@@]1(CCC[C@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672566 KFVYWTRWGBEFJR-IFMALSPDSA-N 453.888 5.408 50 1 JKGF COc1cc2c(cc1OC)[C@@]1([C@@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683433 YLDVIHVCEFOCFZ-DHLKQENFSA-N 495.969 6.434 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21C(C=O)=COc2cc(Cl)ccc21 963862748 GDCVYDGKRANMJM-BCHFMIIMSA-N 483.948 5.004 50 1 JKGF C[C@@H](CCCC(C)(C)OO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356330605 TUKFJQKYIHLUEX-YTXZDOLYSA-N 460.743 7.861 50 1 JKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1c2ccccc2nc2ccccc12 49881800 NSWYVRNRDWHMNG-UHFFFAOYSA-N 453.373 6.316 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 58601913 ULNVENSBPPQRER-BZCFEEOXSA-N 493.732 7.136 50 1 JKGF CC[C@H](C)Oc1ccc2c(=O)c(-c3ccc(OC)c(N(CCCl)CCCl)c3)coc2c1 84668593 KMIKZQYHROKGQS-INIZCTEOSA-N 464.389 5.930 50 1 JKGF COc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98084015 VESIAJMNCTYTHP-VWLOTQADSA-N 481.552 5.795 50 1 JKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 138424690 YCWNSSLCHYTWSQ-GUNPPRBASA-N 478.557 5.045 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587050981 WIKYWHLOFFGCOE-UHFFFAOYSA-N 480.889 9.361 50 1 JKGF CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324207 XDYMYJJICMMJCZ-RCZVLFRGSA-N 499.332 5.357 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537639 JJRFPEOLSNBJJA-PSMUNZOPSA-N 459.723 5.686 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 587672961 JFYOFTOMNJWPEK-HUTHGQBESA-N 482.018 6.068 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587686449 CTOCLZBPPFPIRM-LTJFPGKXSA-N 479.821 6.053 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587687259 ZMPCBUBQYKUFIV-IQMFZBJNSA-N 460.774 6.397 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687394 GMHNUNQMLJFQIH-HDBFHEOPSA-N 472.829 6.963 50 1 JKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl 587687478 GVLFSWOCGAKSHW-WHEQGISXSA-N 487.240 5.952 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687919 JADVLZQCAVUPLH-SRGWNRLKSA-N 466.866 7.116 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 587723716 BXTFHSKUCKAELY-ULMSCDGUSA-N 477.162 5.622 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3sccc3c2)N1 587856847 JDCCFKGWINLHGR-JEOXALJRSA-N 469.217 5.976 50 1 JKGF COc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cc1OCCCCl 962639162 PUIJDEXASBGCMY-YWEHKCAJSA-N 463.021 5.539 50 1 JKGF COc1cccc2cc3c(nc12)[C@@](c1ccc(CBr)cc1)(C(F)(F)F)NCC3 963040235 VHPJIAQLGSZMHP-FQEVSTJZSA-N 451.286 5.090 50 1 JKGF COc1cccc2ccn(CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12 1857537954 AIPIALKHOXUKSD-UHFFFAOYSA-N 450.542 6.034 50 1 JKGF CC[C@H](C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356425535 HGBPMYUZRACDBG-JHGSUWMVSA-N 462.715 6.464 50 1 JKGF CC(C)=CC=C[C@H](COO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356464275 DICZHBSJZBDKMM-AYIGJZRBSA-N 456.711 7.415 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 2356670088 ZROQCPFOIGVEOJ-HWTLPYPISA-N 452.679 7.045 50 1 JKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](Cl)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 13558236 BKVZKDRSLCITJQ-GSXHZGFFSA-N 489.140 7.515 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccc(Cl)cc1 13675469 WGCPVOVIIPOPSY-JOCHJYFZSA-N 483.399 5.896 50 1 JKGF COc1cc2cc(CN3CCC[C@H]3CBr)c3cc(OC)c(OC)cc3c2cc1OC 103202395 VSROEJIVPHTVAG-KRWDZBQOSA-N 474.395 5.387 50 1 JKGF CCCCCCCCNC(=O)OC[C@H](OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170167417 FAQROORDHIPZBC-AREMUKBSSA-N 485.741 5.622 50 1 JKGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\NC(=O)c4ccccn4)[C@@](C)(CC[C@@H]21)C3 198962147 FOPSBJMQKFKROR-UPEFADBOSA-N 451.611 5.143 50 1 JKGF Fc1cccc([C@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F 587149801 BGIBXZZYVISFKR-NXEZZACHSA-N 475.227 7.532 50 1 JKGF C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331264 IYDIDQAKIYPYRW-WPFOTENUSA-N 491.303 5.933 50 1 JKGF COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587417763 PXIOSQVRFJJVSI-WJGUHTKASA-N 456.369 6.026 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)CC2=O 587458782 FNRHUVREDXVBLF-SANMLTNESA-N 466.965 5.246 50 1 JKGF COc1ccc([C@@H](Cl)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497293 ITHMIXDSNSIQON-IZLXSDGUSA-N 462.973 6.423 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 587537471 FTBXNMIUYMCMPS-NAKRPHOHSA-N 499.360 6.215 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2F)([C@@H](C)Br)N1 587724899 MFZYOQQLLZDVIC-MHNGPXOMSA-N 463.135 5.428 50 1 JKGF CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 653687071 HCLZEBKPKQPCTI-UHFFFAOYSA-N 462.574 6.255 50 1 JKGF ClCCCCC[C@]1(c2ccc(Cl)c(Cl)c2)c2ccsc2CCN1Cc1ccco1 962710798 SDONFTUZLOUQER-QHCPKHFHSA-N 468.877 7.749 50 1 JKGF C[C@@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857533725 UCZPBGSOBSGSRH-MRXNPFEDSA-N 465.362 6.131 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](OC=O)C(C)(C)[C@@H]1C[C@@H]3O 2356324145 GYBAQGGQWHOTNZ-CCSCVGSXSA-N 498.704 5.989 50 1 JKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@H](C)Cl 2356585038 BCHIOUHGRHUBMI-RODWMJHOSA-N 478.693 5.758 50 1 JKGF CC1=C(CCCCCCCCCCCCCCCCC=C(CC(=O)O)C(=O)O)C(=O)OC1=O 2356823267 GKNNTXDVAXOZMU-UHFFFAOYSA-N 464.599 6.114 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3cccc([N+](=O)[O-])c3)ccc2O)N1c1ccc(Cl)cc1 28702209 UGZWWRYBRWMYCV-QQIVJABXSA-N 457.273 6.065 50 1 JKGF C=C(c1ccccc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 95580239 UHRJFSUAULCNDP-FKGKZAISSA-N 478.673 6.991 50 1 JKGF CC[C@@H]1Oc2oc(cc(=O)c2Br)CCC#CC/C=C\C/C=C/C[C@H]1Br 238755838 TXUVKVIZMJASCN-PWTPUJLKSA-N 470.201 5.556 50 1 JKGF CC(C)(Br)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324188 XAAHWQFZXRUGSP-LPHOPBHVSA-N 472.148 5.197 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337235 UZMBINDYUOFOCH-SSALJHAZSA-N 477.276 5.847 50 1 JKGF CCOP(=O)(C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC 587360696 PCZZPFAQPPUEHA-FPOVZHCZSA-N 456.834 5.134 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)CC2=O 587461966 VLJMXNSOEXQQQE-SANMLTNESA-N 467.949 5.580 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O 587493792 GQRQMJMUHFPLDS-UUOWRZLLSA-N 452.963 5.718 50 1 JKGF CCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538844 RUQBCUQGHSUOSK-URXFXBBRSA-N 453.332 5.597 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587543898 MLWDSWKKMXRYEB-LBNVMWSVSA-N 473.956 6.204 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)n1 587609097 BOZMQDNDUXKLSP-OFVILXPXSA-N 480.973 5.661 50 1 JKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685609 AGJMGCAPQACCSC-JBEBIEQOSA-N 491.832 6.021 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 587712500 BBEQVWLGHZVFHM-MLCYQJTMSA-N 479.134 5.362 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 587852080 JYXWISOWSNKUPG-LSERJLMQSA-N 496.858 5.688 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(NCCc3cccc(-c4ccccc4)c31)c1ccccc1C2=O 962664754 POYZUIRWXQFGFV-RQZFFVEVSA-N 493.006 5.901 50 1 JKGF Clc1ccc2oc([C@@]3(CBr)c4ccsc4CCN3Cc3cccnc3)cc2c1 963007804 JYKPZWNRPKDMRR-JOCHJYFZSA-N 473.823 6.240 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1sc2nc(C)cc(C)c2c1NC(=O)CCl 963238182 HZKXYKUHTDNSQC-CRICUBBOSA-N 456.055 6.011 50 1 JKGF C[C@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857533724 UCZPBGSOBSGSRH-INIZCTEOSA-N 465.362 6.131 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2CCCCCC)C1=O 1857774918 XLYHLGURXMKMSU-LJQANCHMSA-N 456.627 6.436 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@]2(CO1)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356535448 AIKJBFPXVYAIKI-KLFPRNLRSA-N 470.694 6.406 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)[C@H](C)Cl 35245276 JUYPKXVIXYIXAU-AFMDSPMNSA-N 480.008 5.178 50 1 JKGF O=S1c2ccc(N(CCCl)CCCl)cc2-c2cc(N(CCCl)CCCl)ccc21 43649544 MMIWBCYICVDQSH-UHFFFAOYSA-N 480.288 5.402 50 1 JKGF Cc1ccc2c(COc3ccc([C@@H]4[C@@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)cc(=O)oc2c1 45299861 FQIRNWLBTUZKIT-JWQCQUIFSA-N 480.347 6.029 50 1 JKGF O=C(CCNCCSSCCNCCC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 66251742 UEKJIDKEHKNPLE-UHFFFAOYSA-N 497.560 5.523 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(-c2noc(CCCC[C@@H]4CCSS4)n2)c1-3 72178102 IRSVAHXNDMRBLH-ZJSXRUAMSA-N 491.726 7.135 50 1 JKGF Cc1ccc(-c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)o1 586903549 QXLVWEQSSUKULR-UHFFFAOYSA-N 479.268 8.218 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3cccc(Cl)c3F)nc3ccc(O)c1c23 586987115 AGIIEZKQOQVOIB-MRXNPFEDSA-N 482.736 6.623 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 587325661 GLTNDYCQXDRBOJ-BDYUSTAISA-N 476.935 5.827 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 587338636 XVZFXTGLFPFCBN-IRLDBZIGSA-N 463.249 5.459 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O 587422246 CKZLGKJYQLVJNS-NBGIEHNGSA-N 473.903 5.586 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541283 AMBFHUQEVBIWBD-ATVOGRQSSA-N 464.989 6.999 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccccc12)[C@@H](Cl)c1ccccc1 587543131 JDWXVBOQHJQKSR-OWPQXHQJSA-N 481.935 6.711 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587686721 DMENLVABDZCMLK-MYYSRTQBSA-N 475.833 6.321 50 1 JKGF CCCC[C@@H]1C(C#N)=C(C)NC2=C1[C@]1(CC(C)(C)C2)NCCc2cnc3c(OC)cccc3c21 963055642 KJXMIIQFVRCLTD-ACSYHNTCSA-N 456.634 5.866 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(F)c(C)cc1F)N(C(=O)c1ccccc1N)CC2 963152905 IWKSCRWHBOEPFS-AREMUKBSSA-N 486.946 5.054 50 1 JKGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccc(Cl)cc1 17526778 ZCRXQKLDJOQCIH-AZZGVMCLSA-N 487.006 5.434 50 1 JKGF C[C@](Cl)(/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br)C(Br)Br 44281088 SULCBXDYEPVPKS-FOZLDROZSA-N 478.277 6.170 50 1 JKGF Clc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 299866436 OZMBEEXTIVZRNQ-OAQYLSRUSA-N 484.456 7.238 50 1 JKGF CC1(C)COc2c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc21 586910888 CFLXOIXKJZRVDJ-UHFFFAOYSA-N 469.273 7.320 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 587322102 GCILBHPKSATBFF-PKXQUSJVSA-N 458.916 6.766 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)CC2=O 587464907 YZBJIORPHUKSQX-NRFANRHFSA-N 465.859 5.044 50 1 JKGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587673940 RTVLOWXFUQMISJ-YPMLDQLKSA-N 477.599 5.423 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 587710349 FWHTWLYZZQDXCN-XYZCENFISA-N 499.115 5.919 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587746297 MHQQPMBNQQOKOG-WJKHFQGYSA-N 498.396 5.128 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(Cc3cccs3)c1C)N(C)[C@@H](C)C2 962639466 QCZDBRWBMKLFQN-IVCQMTBJSA-N 459.055 5.591 50 1 JKGF CN1C(=O)C[C@@H]2CN[C@](c3ccccc3Cl)([C@H](Cl)C(=O)c3ccccc3Cl)c3cccc1c32 963017670 CEXUHXRHWXUTEP-XKJCANCBSA-N 499.825 5.781 50 1 JKGF CC(C)(C)N(C(=O)c1ccccc1)N(SOc1ccc(Cl)cc1)C(=O)c1ccccc1 103293580 ZEBNOMNISJXNLX-UHFFFAOYSA-N 454.979 6.280 50 1 JKGF CC(C)=CC[C@H](C)/C=C/C[C@@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238780218 PAQLRHWWLDIBHD-JULPTIALSA-N 474.726 6.468 50 1 JKGF CC[C@@H](C)Sc1nc(NCc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135205 GNWBUALGSADGLT-UTKZUKDTSA-N 452.027 6.309 50 1 JKGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319610 CHHCYHUGNWOURX-QQKQFIJSSA-N 499.332 5.332 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 587324009 VLPDPEVXCRKTIS-IFMALSPDSA-N 461.714 5.834 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OCc4ccccc4)c1)[C@@H](C2)C3=O 587413404 OEFPOLCZKBROHD-SQJMNOBHSA-N 465.343 5.312 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O 587421322 PBTIEIHTAQDYKD-UGSOOPFHSA-N 461.661 5.405 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587504758 JYDPELWIGDLTON-HXUWFJFHSA-N 455.270 5.720 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cccc1Cl 587539935 YTWHANQJVMPPEX-WIYYLYMNSA-N 480.141 5.951 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541718 DFPYGKPQQGBWQP-HKFAVZMWSA-N 455.938 5.114 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587671933 BOICPZUHHIWTSS-NYHFZMIOSA-N 496.262 5.751 50 1 JKGF N#CC1=C(c2cccc(C#N)c2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772600581 KDHFTCKNVBCJED-JOCHJYFZSA-N 493.407 5.534 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 299832977 HBBMLSMHWYRBQF-UMALJDHNSA-N 462.634 5.968 50 1 JKGF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCCCBr)[nH]c2c1 586972114 GRQUJGBZGPVPNK-UHFFFAOYSA-N 476.318 5.100 50 1 JKGF Nc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)sc2cc(Br)ccc12 587030644 HCLARKJIUOBNMN-UHFFFAOYSA-N 470.286 7.447 50 1 JKGF Oc1ccc2scc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2c1 587033053 QEYGHYXSZDXDBO-UHFFFAOYSA-N 471.270 7.570 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056295 OPSJPOYJHVSEKV-OQLLNIDSSA-N 475.301 7.360 50 1 JKGF COc1cccc(-c2cc([C@@H](Cc3ccccc3)NC(=O)CCl)nc3c2oc2ccccc23)c1 587356903 BXCOTTQRMSHLMK-HSZRJFAPSA-N 470.956 6.295 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O 587418787 CQXVCBYONBAQDY-BBATYDOGSA-N 463.196 5.030 50 1 JKGF O=C1C[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587508673 QELKINBHUVSDHS-NDEPHWFRSA-N 459.948 6.952 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537239 BZAQGRJCXUZWEH-RDGATRHJSA-N 467.359 5.843 50 1 JKGF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCCl 587541311 AUAFSBFTZHROOE-DHLKQENFSA-N 454.906 5.286 50 1 JKGF C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543127 JDVGGFVISMYWCO-WIOPSUGQSA-N 451.906 5.227 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587669625 FNYBXQZUDCIIGB-PVUDRZGPSA-N 487.207 5.167 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587671393 RLGWFEWAAJKPJG-KIMHZCHSSA-N 483.263 6.348 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587681753 ALIIOYFEUWIFHN-HOGDKLEQSA-N 458.158 5.445 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(S(F)(F)(F)(F)F)c1 587894861 DVBFYEFTGRVUKE-UHFFFAOYSA-N 458.279 6.556 50 1 JKGF COc1ccc2c(c1OC)[C@H](CCCO[Si](C)(C)C(C)(C)C)N(C(=O)c1ccccc1N)CC2 963137961 HZCJJSXRSQIDMW-QFIPXVFZSA-N 484.713 5.828 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CCC=C(C)C[C@@H](O)[C@@H]1OC1(C)C 2356455928 MDMHPISVCFYXMN-QLWYNGESSA-N 490.725 5.823 50 1 JKGF C[C@@H]1C(C=O)=C[C@H](O)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 2356519997 VPUGJHCMFDNBBF-SNMGEYDJSA-N 456.711 6.175 50 1 JKGF CCCCCCCCCCCCCC(=O)Nc1ccc([C@H](Br)P(=O)(O)O)cc1 72105302 YYBRWSJBBCQSST-OAQYLSRUSA-N 476.392 6.897 50 1 JKGF O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1cccc(C(F)(F)F)c1 95719654 KEUDYNSIGHFSQH-UHFFFAOYSA-N 495.133 5.521 50 1 JKGF CCOc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321658 KHFSXEDAOVREPE-VWNXMTODSA-N 471.322 5.579 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324616 RXBLBZOJWYSLFN-SVEHJYQDSA-N 498.893 5.757 50 1 JKGF O=C1C[C@@](CBr)(c2cc(F)ccc2Br)Oc2c1ccc1c2CCCC1 587507980 WSSZTTYSGNWQHK-HXUWFJFHSA-N 468.160 5.723 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587725184 CAAAOTRSYUOTBV-JCQPUDPBSA-N 479.796 6.151 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@](CCCCCCCl)(c2ccc(C(F)(F)F)cc2)N1)C(F)(F)F 962727797 AXDBVIADCTYKHR-IRLDBZIGSA-N 491.903 6.784 50 1 JKGF CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)cc1 1911586606 SLZJILDAYNHBFS-DEOSSOPVSA-N 464.521 5.681 50 1 JKGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 100834817 CFAGZVWUNVZOHJ-PUHABZHSSA-N 460.639 6.352 50 1 JKGF CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O[C@@H]1C=CCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 195516169 PXCNNYUYKNYPFN-DSNGMDLFSA-N 479.693 6.200 50 1 JKGF CCCCCCCCCCCC(=O)NNC(=O)[C@@H]1Sc2ccccc2N(Cc2ccccc2)C1=O 299838317 QCEODKGDWMHPLW-SANMLTNESA-N 495.689 5.762 50 1 JKGF N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587154026 BPXQGTCWLGSXFL-QLJPJBMISA-N 472.252 6.463 50 1 JKGF C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319067 ABCSVBNBIVLIHI-HAYMFARLSA-N 499.420 6.629 50 1 JKGF C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325858 HCBPINFANBDPQD-AHWVRZQESA-N 467.924 5.763 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852501 LWCZILDJWQQGKG-PVRYLHDCSA-N 489.838 5.057 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 963227652 JZZMHWLDZUJSMZ-DNOBIOAJSA-N 492.044 5.798 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccc(F)cc2F)cc(C(F)(F)F)c1 1857652186 GYGSTQXBECSDMQ-UHFFFAOYSA-N 476.873 5.532 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356479633 XNRQWWCTSMJFJI-NGDRWEMDSA-N 472.710 6.389 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802412 WHMKSCJYJAAYLF-REKMQVHASA-N 474.504 5.655 50 1 JKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587327300 OTIFVAFXSRUEKW-AZGAKELHSA-N 465.908 5.823 50 1 JKGF O=C1C[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 587499722 UXXDOKSDQOJUCC-BDYUSTAISA-N 490.943 5.580 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587499819 PGYLQFICYPMRGU-XMMPIXPASA-N 451.364 5.315 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686510 VMNHVXPGUHYEDQ-CYFODOTGSA-N 463.819 5.106 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587690023 YTEXVYDEFIUBLN-JCQPUDPBSA-N 496.251 6.666 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587857792 UXUITDKIEIOOFS-PQSLBSQKSA-N 478.818 5.534 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(-c3ccc(Cl)s3)cc(C(C)C)c1)(C(C)C)C(C#N)=C(N)O2 1772620203 HTEODOOZCLPUPS-DEOSSOPVSA-N 453.011 6.252 50 1 JKGF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C 2356555405 UIBBRXVBQYADRW-YBAJBEGYSA-N 477.571 8.072 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)cc2C3=O)OCC(C)=CCC1 2356800162 PTNYYODJBDDUKA-NGXZDTIWSA-N 479.400 5.749 50 1 JKGF CC[C@H]1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13492711 BLTGLSZGVUVZAS-YJLDXCOUSA-N 477.992 5.296 50 1 JKGF O=C(NC1CCCCC1)[C@H](c1cccnc1)N(C(=O)CCl)c1ccc(Cl)c(Cl)c1 66129633 YNEMZALSULXCTQ-FQEVSTJZSA-N 454.785 5.150 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccco5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916437 XUSAJRXWMGAEAB-KBEVWUFJSA-N 474.601 5.473 50 1 JKGF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587170972 WMAFORDUUIODMN-VIFPVBQESA-N 491.320 8.018 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 587325663 GLTNDYCQXDRBOJ-XNMGPUDCSA-N 476.935 5.827 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2nnc(-c3ccccc3)o2)[C@H]1c1ccc(F)cc1 587326698 MQXODGSALLLLDJ-RDPSFJRHSA-N 450.853 5.075 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(C)cc(C)cc1Br)CC2=O 587456379 NYLZEKAQZDZZKJ-NRFANRHFSA-N 482.212 5.980 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)cc1Cl 587539514 WRBRECFFINWWAX-RXVVDRJESA-N 480.141 5.951 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587681791 ARYXYZUOHFMTOM-WVDJIFEKSA-N 471.153 5.233 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727939 QFRBPHKWQNAXNK-ZLOXQWCVSA-N 479.796 6.151 50 1 JKGF Oc1cccc2c1OCC(c1nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]1)=C2 586907932 KURUNYUUQRLQNR-UHFFFAOYSA-N 469.229 6.621 50 1 JKGF CC(=O)Oc1ccc(C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328915 WOFHVXVFYFWYBQ-ILBGXUMGSA-N 454.881 5.036 50 1 JKGF O=C1c2ccc(O)cc2O[C@](C2CC2)([C@@H](Br)c2ccccc2F)[C@H]1c1ccc(F)cc1 587337734 VPXRRJWXMVKVCQ-HVCNVCAESA-N 485.324 6.314 50 1 JKGF CCCc1c(O)ccc2c1O[C@H](c1coc3c(CCl)cc(Br)cc3c1=O)CC2=O 587456900 CHSWKOYIKNINKG-IBGZPJMESA-N 477.738 5.659 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 587458449 JDLFAXCIRJKLPW-OHZJNBGDSA-N 489.955 5.364 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)CC2=O 587459392 IJENMHNVULXQCB-NDEPHWFRSA-N 495.402 6.437 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)C)cc1 587498361 NHOZCJDGBAZTSS-GDLZYMKVSA-N 462.033 7.196 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539671 XGHKHUCIUGLIBS-URXFXBBRSA-N 469.331 5.431 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587681725 AGGBJBBKUXSIGE-MYYSRTQBSA-N 496.848 5.836 50 1 JKGF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl 587684563 LBBJQTREAUFLSL-ZSEKCTLFSA-N 456.783 5.402 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C 587688690 NDTBAGTUXZNUTE-RKFFSXRUSA-N 483.809 5.145 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 587859674 YFHBRILBWRCGHB-JNHSQIPHSA-N 464.791 5.474 50 1 JKGF COc1cccc([C@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1F 962953999 KTMSUTTYEXWNGT-OAQYLSRUSA-N 488.319 5.143 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2356518072 DTNMLCLEKOLKGE-LSDOSRMUSA-N 498.912 10.028 50 1 JKGF CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(OO)C2)C1=O 238765410 AWDUWDVISOBEPH-NKVKAMTNSA-N 488.621 5.044 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 586974439 WPIGSPUTIQZEPN-SECBINFHSA-N 473.006 6.135 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccccc3)no2)[C@@H]1c1ccc(F)cc1 587323782 UHJVULAOWRCSSH-ILBGXUMGSA-N 494.316 5.836 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O 587416422 ASZKEGUOEHPPDV-GBXCKJPGSA-N 486.793 5.747 50 1 JKGF N#CCCn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587541260 AGINGJPYLOQDQZ-JYFHCDHNSA-N 458.901 5.356 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 587616078 YZIQRXMHARKORV-RPLLCQBOSA-N 494.012 6.211 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2cccc(Br)c2)N1 587679697 NITHGRYPENDCII-BBATYDOGSA-N 461.600 5.562 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 587688315 LGDRPPABMHTICR-OWJWWREXSA-N 475.833 6.071 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@H](Br)c2ccccc2F)N1 587730274 XGPASABIMDNMMI-HDZZMESHSA-N 471.183 6.003 50 1 JKGF COCCCN1CCc2ccc(OC)cc2[C@@]1(C1CC1)[C@H](Br)c1ccccc1F 961324794 OJTDHUYVANDADA-RPWUZVMVSA-N 462.403 5.470 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)CC12CC3CC(CC(C3)C1)C2 961747183 GVQJYCUEPATKLC-CIXIDGMFSA-N 485.112 6.879 50 1 JKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)NCCc3cccc(-c4ccccc4)c32)CC1 962674949 ZIWASUCNYDHDBN-SANMLTNESA-N 485.466 5.737 50 1 JKGF O=C1[C@H](Cl)[C@H](c2ccc(F)c(Br)c2)N1Nc1ccnc2cc(Cl)ccc12 1772640434 AXQYJXLJKWRDKS-SJORKVTESA-N 455.114 5.308 50 1 JKGF C/C(=C\C(=O)O)c1ccc(N(CC(C)C)CC(C)C)c(NC(=O)N/N=C/c2ccc(F)cc2)c1 1857553324 KCEOZITZLBNTHW-JHSGPFQYSA-N 468.573 5.588 50 1 JKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857754927 GDQYGOWANCTVTH-VVFBEHOQSA-N 479.543 5.324 50 1 JKGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356653244 HOEKKUSLHOOASY-UMWCRMBWSA-N 487.779 6.080 50 1 JKGF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587163759 OFHXWRLXJWMNPO-HNNXBMFYSA-N 474.268 6.773 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324942 AZTBLANRKXXGNE-LEAFIULHSA-N 466.980 7.102 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Cl)[C@@H]1c1ccc(F)cc1 587370700 AVBPBCSMAJXRSH-YLJYHZDGSA-N 467.743 5.896 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@@H](C)Cl)CC2=O 587461138 XJMUXUBMVPVFQZ-QUGAMOGWSA-N 472.412 6.894 50 1 JKGF O=C1C[C@](C(Br)Br)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 587503203 XQAUTWSCTMFZGY-AWEZNQCLSA-N 492.076 5.583 50 1 JKGF COc1ccc2cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl 587685229 OOOXWISGOUBQPN-YTEVENLXSA-N 483.208 6.420 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 587715263 XSIRXQUWPZQHOX-VOJFVSQTSA-N 459.306 5.599 50 1 JKGF FC(F)(F)Oc1cc(Cl)cc([C@]2(CBr)NCCc3cccc(-c4ccccc4)c32)c1 962661703 KEQOEILCIFJQAY-QFIPXVFZSA-N 496.754 6.690 50 1 JKGF FC(F)(F)Oc1cccc([C@@]2(CCCCCCl)c3ccsc3CCN2Cc2cccnc2)c1 963000788 XCOKGCQJKRPLFQ-DEOSSOPVSA-N 495.010 7.143 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(-c3cccc(C(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772621221 RNZDFNVWBXUQEE-DEOSSOPVSA-N 482.462 5.131 50 1 JKGF CC(C)=CC[C@H](C)C=CC[C@H](O)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356424048 PAQLRHWWLDIBHD-LJIDESGUSA-N 474.726 6.468 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@@]1(C)[C@H](C2)[C@@](C)(O)[C@@H](O)C[C@H]1Br 2356655988 NMTHADGRZFKZFY-VPPJIXMVSA-N 464.282 5.198 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)C1)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356684090 JKAAEVULEKEQOP-QIYLELGZSA-N 462.310 6.783 50 1 JKGF COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 29126487 CNPVMIWTHSOVPV-RWPZCVJISA-N 466.965 5.824 50 1 JKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(CSc2ccccc2)=N1 40447674 PGIUHBSUSWLCIR-FBNDGMMSSA-N 474.504 5.612 50 1 JKGF O=C(c1ccccc1F)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72178196 ODGGGIUGUHKXEM-WCWDXBQESA-N 478.223 6.295 50 1 JKGF CC(C)=CCC/C(C)=C/C[C@@H](O)[C@]1(C)O[C@H]1CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 138107444 PWIUYVBRAXUOPC-YIRAOQAWSA-N 490.725 5.823 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1Br 587537490 GESAQFVSSOBUDT-GHTZIAJQSA-N 490.147 5.407 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1cccc(Br)c1 587542510 YMYIUERDAUUOGE-DENIHFKCSA-N 459.723 5.337 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 587674208 UQRWIKSKQVJCGP-NOQOFINWSA-N 475.284 6.731 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 587715492 CSMAQANHDIUJCG-CFVCRPCTSA-N 495.152 5.761 50 1 JKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]12)OO 2356675228 LQPSEQWINGOYLK-TVOJBMMCSA-N 484.677 6.527 50 1 JKGF C=C(C)[C@H](O)CCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753870 MUVCLXZNRJJIGV-LHSYOYCCSA-N 497.415 5.053 50 1 JKGF COc1cc2oc3c(c(=O)c2c(O)c1/C=C/C(C)C)C[C@H](C(C)(C)OO)Oc1cc(O)ccc1-3 49881395 UYYZSBJGWJNBMX-HSTAZWAASA-N 468.502 5.121 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587324299 QDPAYXBRAHRFKL-LADGPHEKSA-N 489.768 6.567 50 1 JKGF CC(C)c1ccc(OC[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325595 GBWZMXRXEMOXDX-AHWVRZQESA-N 454.925 6.070 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684003 IWNSVBAZJUKTNJ-WNSKOXEYSA-N 481.837 6.124 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587702733 FQGILYJOKHMZNW-AQQIJUCISA-N 464.684 5.370 50 1 JKGF COc1ccc(C)cc1C(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587786321 FZPBYHXMKMWNIP-UHFFFAOYSA-N 499.299 7.115 50 1 JKGF COc1ccc2c(c1OC)[C@](c1ccc(Br)cc1)([C@H](C)Br)N(C)[C@H](C)C2 962627026 KJLCTAWZUOPNGI-HKZYLEAXSA-N 483.244 5.370 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)C1=O 1857773401 NJGNLISLZUTSFV-NRFANRHFSA-N 483.008 6.287 50 1 JKGF CC1(C)CC(=C[C@@H]2[C@H](O)C[C@]3(C)[C@H](Br)CC[C@](C)(O)[C@H]23)CC[C@@H]1Br 2356551037 YBUXHLOZPRIUQN-QYSKAWQBSA-N 464.282 5.198 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H](C(=C)C)[C@]4(CCC(=O)O)C[C@]34CC[C@@]12C)OO 2356692395 VAVXCVQSOFVUSY-MSAOQKHDSA-N 472.710 7.897 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3nncc3-c3ccccc3C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102075760 WUPOGFDUROAUAN-WRQMCJHHSA-N 479.499 5.344 50 1 JKGF O=[N+]([O-])c1ccn(CCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 587274435 VRRRBXFDNOLDCU-UHFFFAOYSA-N 476.225 5.720 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587326864 NGFPBENOHRFGSZ-GGAORHGYSA-N 465.735 6.721 50 1 JKGF C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327652 QNAWLAITKNMHPG-AZGAKELHSA-N 467.924 5.763 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1oc4ccccc4c1CBr)[C@@H](C2)C3=O 587413787 QGDQVEUAOQLFPS-RXFWQSSRSA-N 475.338 6.028 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C(C)(C)C)cc4)c1C)[C@@H](C2)C3=O 587417017 IHYMQPZCCWUCED-NEKDWFFYSA-N 464.005 6.282 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496753 FHRCICLQFZDQKT-MHZLTWQESA-N 454.994 5.896 50 1 JKGF O=C1C[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)Oc2c1ccc1c2CCCC1 587499794 PFURYMBZJKHYMR-HSZRJFAPSA-N 472.766 6.129 50 1 JKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505814 QEIZQBWQVUMYOQ-MHZLTWQESA-N 498.381 6.444 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539682 XJLMRNBYMNRRDO-PSMUNZOPSA-N 459.723 5.686 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587546328 QFSUNINFYBPHBG-SHQCIBLASA-N 492.911 5.312 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687810 IDTYIKNVGFWWKD-SOHPYSCWSA-N 467.810 5.588 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587705000 KJEGSVCVFFSJFN-AWBWRCJSSA-N 482.674 5.244 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727932 QFRBPHKWQNAXNK-NPMABZOXSA-N 479.796 6.151 50 1 JKGF C[C@@H]1[C@H]2CC[C@@H]3C4=C5CCC[C@@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356507088 WMQCTQIEIFEXIR-GKJDREGRSA-N 459.725 5.156 50 1 JKGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)[C@@H](F)Cl)c(Cl)c1Cl 31500148 SKEPFBUAOCDXAM-CQSZACIVSA-N 493.668 6.453 50 1 JKGF O=C(N/N=C\CCc1ccccc1)c1cc(/C=N/Nc2cccc(C(F)(F)F)c2)nc2ccccc12 95556042 CCCIKIVIMVIKNL-RASKMHIGSA-N 489.501 6.048 50 1 JKGF CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(NC(=O)[C@@H](C)Cl)cc2s1 95590413 MQLPJVUKMSLSTQ-CYBMUJFWSA-N 462.040 5.718 50 1 JKGF Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H](C)Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1 141404892 WKTBMWCHAMDMIB-KRWDZBQOSA-N 486.963 5.409 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)n1-c1cccc(Cl)c1Cl 587058490 ZNROAPUQRLYGDK-CHHVJCJISA-N 478.339 5.672 50 1 JKGF Cc1ccc(/C=C(\C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587187807 KXTGLSSZSJZEBX-WUXMJOGZSA-N 464.257 7.355 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@@H](Cl)CCCCCCCCC[C@@H]2Cl 587548614 OERAMVDTBRMIKF-FKBYEOEOSA-N 463.401 6.832 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554182 JWOJCWJJRDSDPJ-UJOSWYDYSA-N 461.258 5.311 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)s2)N1 587848646 OZDNUVKVYFOMFB-ANRSDYALSA-N 498.053 5.585 50 1 JKGF Cc1cc([C@]2(CCl)c3ccsc3CCN2Cc2cccn2C)c(C)n1Cc1ccccc1 962397646 KMDWGTTUQUJKOC-MHZLTWQESA-N 464.078 6.094 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cccc(OCC(F)F)c1 963186931 HDBYTDBEQFWQRB-AHWVRZQESA-N 497.383 6.092 50 1 JKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc12 1857571505 LBAXOZBHGPONGY-UHFFFAOYSA-N 499.525 7.347 50 1 JKGF Cc1ccc(N[P@@](=O)(Oc2c(F)c(F)c(F)c(F)c2F)N(CCCl)CCCl)cc1 1859091 SNCBPYCYUUWWEV-GDLZYMKVSA-N 477.197 6.069 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C=O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 84688238 YDSMZIDWNGKCHC-SUXCAEKLSA-N 482.705 6.723 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 84690511 RIYAQYSWWBDTAS-SUXCAEKLSA-N 482.705 7.350 50 1 JKGF C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 95561878 QVDQRPBOZUHTCX-CPGXJQKCSA-N 458.727 7.637 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319695 CPVDLZZJAKYQOT-ZCYQVOJMSA-N 480.333 5.970 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587413788 QGSRTOMVLVXVJQ-GBXCKJPGSA-N 451.316 5.525 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587671794 AZLQYFYTKOYEJX-CMJOXMDJSA-N 489.226 6.428 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686910 YBRIPNYBZWPVJN-SIBVEZHUSA-N 494.920 7.898 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587728167 DFIIEOCFJPQMRK-ZAMGYDSWSA-N 479.796 6.151 50 1 JKGF C=C1[C@H]2CC=C3[C@H](CC[C@]4(C)[C@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@]34OO)[C@]2(C)CC[C@H]1O 2356379719 GEAFSGSDFLIGRT-QXAHHVORSA-N 458.727 7.803 50 1 JKGF C[C@@H]1C(=O)OC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(CO)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 2356403604 PAWRHQGDEKISOW-QUYLIATNSA-N 472.710 6.540 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356434856 GXIUUQNLOQDGBR-OOGJMLOMSA-N 474.726 6.774 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299856829 CGDYDLXCPVNCDF-QFFBLSEFSA-N 481.445 6.646 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586892417 WZOSQRRJHDBKFY-SCLBCKFNSA-N 465.285 7.354 50 1 JKGF CC(C)(SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O 586958995 JWPAJILGFMJWBR-UHFFFAOYSA-N 455.268 6.079 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O 587427316 SJMDUFPMKCGLMK-BVZFJXPGSA-N 486.326 5.356 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587682073 BEDBQLHNROCVQB-AMXDTQDGSA-N 465.794 5.225 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587682147 BKRONRDUIKXFBT-OYLFLEFRSA-N 487.800 5.857 50 1 JKGF Cc1cc([C@@]2([C@H](C)Cl)c3ccsc3CCN2Cc2cccn2C)c(C)n1-c1ccc(Cl)cc1 962401036 VBGKJNSOOAOQTN-CCLHPLFOSA-N 498.523 7.077 50 1 JKGF COc1ccc2c(c1OC)[C@](CCl)(c1ccc(Cl)cc1)N(C(=O)c1ccccc1N)CC2 963159041 PHCYYVFJEIIAPS-VWLOTQADSA-N 471.384 5.120 50 1 JKGF COC(=O)[C@H](C)N[P@](=O)(OC/C=C(\C)CO[Si](C)(C)C(C)(C)C)Oc1ccccc1 1857638684 NISFXSWVGDOJOI-VLQUWULSSA-N 457.580 5.309 50 1 JKGF CC(C)=CCOC1=CC(O)=C(C(=O)CO)C(=O)[C@@]1(CC=C(C)C)CC=C(C)CCC=C(C)C=O 2356531538 CGCVGIAAWVMTBA-NDEPHWFRSA-N 470.606 5.414 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4[C@H]5C=C6[C@H](CC[C@H](OO)C6(C)C)[C@@]4(CC[C@]3(C)[C@H]2C1)CO5 2356702585 KULQXGKKVLLNHL-OMJVTKKSSA-N 456.711 7.655 50 1 JKGF CCCCCCCCCCCCCCCCCCOC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 201663125 YGPFXYRLWXBLIE-HHHXNRCGSA-N 488.946 9.336 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1 587320513 FOAIPEKSRRVTGZ-AHWVRZQESA-N 496.376 5.781 50 1 JKGF N#Cc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587323510 RGVCSMOXVJWPGI-FYYLOGMGSA-N 452.279 5.052 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)CC2=O 587464038 HBELZNHWQAFEFX-IBGZPJMESA-N 493.703 6.152 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587681722 ADXQQKHXSZJSGK-WHEQGISXSA-N 467.810 5.589 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587682145 BKRONRDUIKXFBT-MYYSRTQBSA-N 487.800 5.857 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@@H](C)C2 962629573 PGUKNKWUHYGJKC-OYHNWAKOSA-N 457.920 5.741 50 1 JKGF Oc1cc2cc([C@@]3(CCl)c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cc3c2n1CCC3 962634477 HQXKAGBKSJDJPE-YZNIXAGQSA-N 484.043 5.522 50 1 JKGF COc1cccc2ccn(CCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12 1857537756 SBAMQOWLKSPDPT-UHFFFAOYSA-N 478.596 6.814 50 1 JKGF COC(C)(C)[C@@H]1CC[C@]2(C)C[C@@H]1C(C=O)=C1O[C@](C)(OC)C=C1[C@H]2C=COC(=O)C=C(C)C 2356850438 PPXRXBGYJKHNJU-HYPSAWGKSA-N 458.595 5.259 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCc3ccc(C(=O)O)cc3)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100843258 HANVPHIJCTTYQV-GEUJSVTNSA-N 486.483 5.042 50 1 JKGF COc1cc(-c2cc(=O)c3c(O)cc(OC(C)=O)cc3o2)cc(OC)c1O[Si](C)(C)C(C)(C)C 195121365 RHXJOUMSPARZSC-UHFFFAOYSA-N 486.593 5.492 50 1 JKGF C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C 238780876 RKPLHWCOJKGGMT-RDCYMSRKSA-N 458.595 5.124 50 1 JKGF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587266978 RBKHBMOZYOJPLI-ANRSDYALSA-N 483.375 5.571 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321306 CVALEAZDLGEOIY-DFTDMARZSA-N 475.741 6.176 50 1 JKGF N#CSC[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587368843 AJJKDLKAXNSQAC-XNMGPUDCSA-N 455.510 6.153 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498480 HRSXZDXXKHDPCR-CLYVBNDRSA-N 477.398 7.002 50 1 JKGF N#CCCn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587541259 AGINGJPYLOQDQZ-BVAGGSTKSA-N 458.901 5.356 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670313 JSERPKZWLJAWHE-QLEMLULZSA-N 483.263 6.447 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671476 SDXITHODBRYEAL-OITMNORJSA-N 471.208 5.548 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587674568 XOEIAVKFEILIIB-SZNDQCEHSA-N 469.236 5.959 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587710263 RAHMSANDPPSCMW-XYZCENFISA-N 450.657 5.307 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2F)N1 587722754 ZYNSZDMWOFKINY-XTZNXHDOSA-N 479.590 5.897 50 1 JKGF FC(F)(F)c1cccc2c1[C@H](c1ccc(S(F)(F)(F)(F)F)cc1)NCC21CCOCC1 962964089 ZFVLVFMDRAUPBP-SFHVURJKSA-N 473.429 7.104 50 1 JKGF Cc1onc(-c2c(Cl)cccc2Cl)c1[C@@]1(CBr)NCCc2c(C(=O)O)cccc21 963135119 WTZAGCCXTNYIEE-NRFANRHFSA-N 496.188 5.439 50 1 JKGF COc1ccc([C@]2(CCl)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(OC)c1 963842686 ZMGSENJYCTYOLM-DWXRJYCRSA-N 489.996 5.131 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 2356670111 AAEWZCYGFQHOQA-HOBIELMTSA-N 477.173 8.855 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 2356672585 QGDQJFKTMDHPQG-CZDLBQPOSA-N 491.200 9.245 50 1 JKGF CN1C[C@H](Cl)[C@@]23C(=Nc4ccc(Cl)cc42)N(C)CC[C@@]32Cc3cc(Cl)ccc3N=C12 2356808014 YJLJASXTVIZPFC-AJSBUHFISA-N 459.808 5.436 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 13558262 ICFOPLOPLNRVLF-VNNAKPRGSA-N 477.689 7.112 50 1 JKGF CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 210989720 DCPGPJHTNZSLDL-PKTZIBPZSA-N 467.594 5.444 50 1 JKGF CC(=O)N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 586986101 VZCGWARJWIXEIY-OAHLLOKOSA-N 484.288 6.403 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587009474 HHUBSJGEXFAXBE-QHCPKHFHSA-N 460.990 5.834 50 1 JKGF CN(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323393 QYGPGCZLSYZLQO-VWNXMTODSA-N 470.338 5.247 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Cl)ccc(Br)c1F)O2 587380651 BGWSAOXPJADRGH-KRWDZBQOSA-N 477.555 5.388 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1 587547429 LKTRLIDDMTWVSC-NQIIRXRSSA-N 479.248 5.663 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Cl 587571224 ZYLIOZOCFHOSPE-NQIIRXRSSA-N 463.686 5.437 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689016 OQUKJXKNAAEKHM-VVSNUNSYSA-N 471.798 5.115 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)s2)N1 587847935 MXWBZJPVARTGON-BTDLBPIBSA-N 481.656 6.209 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587322545 HMPYKZVCQWKPDI-MJFYNXAESA-N 481.951 6.008 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(SC)c4)c1C)[C@@H](C2)C3=O 587454281 XSSRITHJBKQHAZ-OFVILXPXSA-N 453.991 5.706 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)n1 587609102 BOZMQDNDUXKLSP-SQJMNOBHSA-N 480.973 5.661 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 587670481 KYMLVARSYFREGZ-YRUZYCQGSA-N 461.600 5.803 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3o2)N1 587672847 IMRWXNZATSXQQM-WLRWDXFRSA-N 453.149 5.507 50 1 JKGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587673546 ODGKREYYFYEJHP-MLCYQJTMSA-N 477.599 5.423 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 587859680 YFHBRILBWRCGHB-YZRASEIHSA-N 464.791 5.474 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 963238232 ZSGIDOZZJUZRHX-QYBDOPJKSA-N 474.998 7.252 50 1 JKGF CC1(C)c2ccoc2C[C@@H]2C=C(CSSCC3=C[C@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@H]21 40879638 GSRPFVPTUJOGDD-CJRSTVEYSA-N 494.766 8.527 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCCCCCCCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84671171 YMKLKVDLXADPAF-WSQIUCHASA-N 468.675 6.104 50 1 JKGF COc1ccc2c(c1)c(CC(=O)Oc1ccc([N+](=O)[O-])cc1)c(C)n2C(=O)c1ccc(Cl)cc1 103200658 UIKREBZEDGYYAU-UHFFFAOYSA-N 478.888 5.357 50 1 JKGF CC(C)=CCC[C@]1(C)[C@H]2CC[C@@H]3Cc4cc(C(=O)O)ccc4O[C@@]3(C)[C@]2(C)CC[C@H]1Br 205751810 SPIGDDDVGATBCA-IZDKLJAWSA-N 489.494 7.421 50 1 JKGF C=C([C@H]1CC[C@@](C)(O)[C@@H](Br)C1)[C@H]1[C@H](Br)[C@@H]2[C@@H](CC[C@@]2(C)O)C1(C)C 238756431 ARJJMSRVKBBKMI-BZTAKYQYSA-N 464.282 5.054 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)cc3F)nc3ccc(O)c1c23 586988760 PZGFCODZBZLOMD-KRWDZBQOSA-N 466.281 6.109 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587035878 VKYRJVLIQNLHLZ-GFCCVEGCSA-N 475.302 6.901 50 1 JKGF FC(F)c1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cnc2ncnn12 587128360 LZDYJEHBWVPQEN-UHFFFAOYSA-N 491.190 6.025 50 1 JKGF COc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587148402 FZMVJHHEROLWAU-UHFFFAOYSA-N 461.225 6.721 50 1 JKGF CC[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321340 JANQLQLAQHWTTA-ZDXQCDESSA-N 455.323 5.959 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1ccccc1 587500013 XGPDYSUWEWBPEW-MHZLTWQESA-N 462.977 5.467 50 1 JKGF C[C@@H](Br)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587504527 FCXHEHDEMSCYRP-ASSNKEHSSA-N 453.298 6.228 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3o2)N1 587672845 IMRWXNZATSXQQM-JEOXALJRSA-N 453.149 5.507 50 1 JKGF CSc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587843766 JIJOOHWGBZGAHC-ZMZPIMSZSA-N 459.222 5.483 50 1 JKGF Cc1cc([C@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1-c1cccc(F)c1 963195742 WHKAVTGWWGAGOK-IHLOFXLRSA-N 484.018 6.839 50 1 JKGF C/C(=C\C(=O)O)c1ccc(N(CC(C)C)CC(C)C)c(NC(=O)N/N=C/c2ccccc2F)c1 1857571724 OJOMNUCQWFXKGW-JHSGPFQYSA-N 468.573 5.588 50 1 JKGF CCOC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nn1Cc1cccc(NC(=O)CCl)c1 1857588854 VKSNDMDQFJFPFW-UHFFFAOYSA-N 489.959 5.745 50 1 JKGF O=C(OC[C@@H]1CCCCC12OOC1(CCCC[C@@H]1COC(=O)c1ccccc1)OO2)c1ccccc1 43706648 PGGIGCGCBPRHHI-SIQOOTDXSA-N 496.556 5.383 50 1 JKGF C[C@@H]1C[C@H]1[C@H](C)C[C@@H](O)[C@](O)(CCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 135660813 IDJFQGHMTPJXRG-AHCXHDEUSA-N 495.144 5.198 50 1 JKGF C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OO)CC[C@@]24C)C[C@]13CCC(=O)O 238753477 HPUXNUNPWDBEKO-MUIWPBFXSA-N 472.710 7.897 50 1 JKGF COC(=O)C(C)(C)c1ccc(-c2nc3c(C)ccc4c3c(c2CCCl)-c2ccccc2C4=O)cc1 586994116 VBMACDJUJHKQLV-UHFFFAOYSA-N 483.995 6.654 50 1 JKGF CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319784 CZWFDSLMAZXJBN-WMZHIEFXSA-N 479.342 5.003 50 1 JKGF COc1cccc(OC)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324490 ZRIGNOMVHIDJNH-XUZZJYLKSA-N 487.321 5.198 50 1 JKGF CC(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 587330010 ZMXOMZXQGDNANZ-XCZPVHLTSA-N 466.980 7.271 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)O2 587374667 PJVZXPZIWGSMOS-FATZIPQQSA-N 460.368 5.173 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)O2 587383359 SHABETNRYOECFA-DEOSSOPVSA-N 495.353 6.339 50 1 JKGF O=C1C[C@](CBr)(c2ccc(F)c(Br)c2)Oc2c1ccc1c2CCCC1 587506003 NGMDMIPJQKOXAH-FQEVSTJZSA-N 468.160 5.723 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)ccc1Cl 587537178 BOCJCWUQRFJJIP-RXVVDRJESA-N 480.141 5.951 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 587546456 JXOYNOHZPQEOMQ-WIYYLYMNSA-N 497.238 5.802 50 1 JKGF CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611583 GPKAELUILBAAAP-NLFFAJNJSA-N 485.989 5.212 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587712632 PVJYPFCWTYLDNS-HUTHGQBESA-N 499.115 5.919 50 1 JKGF Cc1cc([C@@]2([C@@H](C)Cl)c3ccsc3CCN2Cc2cccn2C)c(C)n1-c1ccc(Cl)cc1 962401049 VBGKJNSOOAOQTN-NFQMXDRXSA-N 498.523 7.077 50 1 JKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21NCCc2cccc(Cl)c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biogenic,in-vitro CN1Cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2NC1=O 587328821 VYDSGEXXOAESPV-DHLKQENFSA-N 466.896 5.002 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)O2 587384771 PAAQVXPXYVKITK-VBZTYIPLSA-N 453.945 5.080 50 1 JKGF COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)[C@@H](C2)C3=O 587448615 KMJXONKCBOTAGB-SUYBVONHSA-N 478.528 5.559 50 1 JKGF CCCCCCCCC(=O)CCSSCCC(=O)C[C@@H](CCCCCC)SO 2356801223 QNDONVAVJCBHCY-JOCHJYFZSA-N 450.776 7.972 50 1 JKGF CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC(C=O)=C23)[C@@H](O)O1 2356858330 SYUSWGHONLYYEF-YSWCTJKKSA-N 468.678 5.741 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587540069 ZUKJSAJZGBYKAI-PXDATVDWSA-N 467.359 5.942 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl 587547112 ZGAQRHGJMJNKFW-NZQKXSOJSA-N 456.281 5.328 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685206 OJDSNXGHNDGZIR-FPTDNZKUSA-N 467.810 5.589 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962626952 DPEUKPBDITXIKC-WMZHIEFXSA-N 469.931 5.789 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O 2356326253 VQGRARXMDOEPFR-YAKRCETHSA-N 470.694 5.808 50 1 JKGF Nc1c2c(nc3cc(Cl)ccc13)C[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)CC2 13607698 YNUALVMKORREBG-GOEBONIOSA-N 450.073 5.406 50 1 JKGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)[C@H](F)Cl)c(Cl)c1Cl 31500151 SKEPFBUAOCDXAM-AWEZNQCLSA-N 493.668 6.453 50 1 JKGF COc1ccc(-c2csc(C3=C(C)[C@@H]4CC[C@@H](C)[C@@H]5CC[C@@]6(C)OO[C@@]45[C@H](O3)O6)n2)cc1 49802405 ITUYUKILWPTXFZ-HAUNOENPSA-N 455.576 5.796 50 1 JKGF CC(=O)Oc1cc(Cl)c(OC(C)=O)c2c(OC(C)=O)c(C)c(O[Si](C)(C)C(C)(C)C)cc12 195417218 ZBBTZXXMGSKHPA-UHFFFAOYSA-N 481.017 5.962 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 587322082 LKADCBQEUWIUSD-AOYPEHQESA-N 477.329 6.334 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O 587455871 HBSZTYGBDOTEQQ-LJAQVGFWSA-N 499.404 7.498 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537558 HPTKSIMORYKIJN-VPWGAPMNSA-N 481.386 6.231 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711141 GFIWZXMZTSCQRT-BMLIUANNSA-N 481.125 5.780 50 1 JKGF COc1ccc2c(/C=C(\C)C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCBr)c2c1 653895787 TYFWTUBZAYWQLV-XNTDXEJSSA-N 488.378 5.357 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)CC12CC3CC(CC(C3)C1)C2 961747175 GVQJYCUEPATKLC-BNFWWZGFSA-N 485.112 6.879 50 1 JKGF COC(=O)C[C@@H]1C(C)(C)[C@H](Cl)[C@H]2C[C@@H]3C4=CC(=O)O[C@H](c5ccoc5)[C@]4(C)CC[C@H]3[C@@]1(C)C2=O 2356307629 HOTHINYOYDJGOT-IAYZGZFMSA-N 489.008 5.258 50 1 JKGF COC(=CC(=O)N[C@H](C[C@@H](C)C(Cl)(Cl)Cl)c1nccs1)C[C@@H](C)C(Cl)Cl 2356870180 XOEPHLACOYECHC-CKYFFXLPSA-N 482.688 6.057 50 1 JKGF COc1ccc(C2=NN(C(=O)[C@@H](C)Br)[C@@H](c3c(Cl)cccc3Cl)C2)cc1OC 43074311 RPXNAGLQQNAKMU-BDJLRTHQSA-N 486.193 5.472 50 1 JKGF C[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)c1ccc(C(F)(F)F)cc1 43845652 OIQGKZALYSLNLA-LLTOYDTASA-N 456.501 5.991 50 1 JKGF Cc1ccc(-c2nnc(CSC(SCc3nnc(-c4ccc(C)cc4)o3)=C(C#N)C#N)o2)cc1 71388872 DFBKBXGQIWVDDN-UHFFFAOYSA-N 486.582 5.829 50 1 JKGF CCCC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 101340597 VMEBTROKTJQZRX-FLWNBWAVSA-N 453.346 6.300 50 1 JKGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)Nc1cccc(F)c1 299822680 AZJOEDQAORRDSL-UHFFFAOYSA-N 458.537 5.308 50 1 JKGF N#CSc1c(-c2ccc(Cl)cc2Cl)nc2sc(Cc3ccc(Cl)cc3)nn12 299828498 JOEFNDWJWJZYSB-UHFFFAOYSA-N 451.791 6.582 50 1 JKGF Cn1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587320612 FWCOGSGDECJJOU-NOZRDPDXSA-N 480.333 5.672 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328851 WDXWLSBBDYAGHM-AZGAKELHSA-N 467.924 5.763 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O 587462407 ZFFHIOBBBLKKKA-VWLOTQADSA-N 492.830 7.159 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Cl)cc2c1=O 587542003 HFKDMNFDOYDCJF-YADARESESA-N 469.276 5.594 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@@H](C)C2 962625680 FMRPXFZNKWYOJE-HJPURHCSSA-N 455.948 6.252 50 1 JKGF CC(C)(C)[C@@]1(COc2ccc(C(=O)Cl)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962704842 DIWBBYNTXNEWOR-AVRDEDQJSA-N 453.888 5.032 50 1 JKGF CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C 95563436 BGPDUCDSLDTQPY-NCELDCMTSA-N 450.336 5.344 50 1 JKGF CC(C)(Br)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324190 XAAHWQFZXRUGSP-VQIMIIECSA-N 472.148 5.197 50 1 JKGF N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587327349 PJRBDGLXILVVLC-XNMGPUDCSA-N 474.919 6.158 50 1 JKGF COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O 587333272 MYNVPHQLFDOIIH-JTHBVZDNSA-N 491.284 5.034 50 1 JKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2NC(C)=C(CCCl)C(=O)N2CC3)c1 587359241 WJTBTWROUULPKT-SANMLTNESA-N 473.960 5.546 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541865 DPZGEBSAFBWRRK-RYGOHARKSA-N 487.335 5.409 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587542353 GTBROEZXEGBNBA-SQHAQQRYSA-N 459.929 5.896 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567192 FYNGXUHTVBGODK-SXWKCWPCSA-N 457.295 5.258 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Cl 587615590 YTJXXLVSWRBEEZ-DNVCBOLYSA-N 451.725 5.359 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587672911 IWQHZXTXEHTRDH-CMJOXMDJSA-N 495.274 6.809 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587685065 RYXSIWPWWSZTNJ-OIRASMEMSA-N 484.752 5.338 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(C(=O)CBr)c1Cl 587891513 ACPHRZBICROASS-UHFFFAOYSA-N 491.571 5.074 50 1 JKGF CC/C(=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 587967082 KSGIMCPQWWEJBR-XYOKQWHBSA-N 467.301 8.242 50 1 JKGF CCC[C@@H](SSC[C@@H](NC(C)=O)C(=O)O)c1cc(C)ccc1C=CCCCC(=O)O 2356334535 IZPIIKDCVJWAGQ-WOJBJXKFSA-N 453.626 5.075 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@]3(C)[C@@H]2C1 2356495173 IJLWXMAZQWVPRJ-QMTPRLQZSA-N 458.727 8.273 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 2356667428 MBNPUBINSDBIMB-LZTDOANESA-N 454.695 6.864 50 1 JKGF [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321345 JBBDFOYPFMAOQE-IRLDBZIGSA-N 468.282 6.122 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587325450 FSXAQVQWCMLNGY-XCZPVHLTSA-N 475.947 6.432 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325895 HLWDGEODDHANSC-KCWPFWIISA-N 481.951 6.009 50 1 JKGF N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370468 XBRDDVMBDLUJAJ-JTHBVZDNSA-N 474.340 6.307 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1ccccc1 587500005 XGPDYSUWEWBPEW-HHHXNRCGSA-N 462.977 5.467 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 587541654 CORUVKSBFZCJRU-POURPWNDSA-N 499.994 6.384 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674623 YFBSHNFSMXSXSE-SPLOXXLWSA-N 469.236 5.959 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 587681940 YNSWFRFZMVNNBD-YXYNZYKKSA-N 493.218 5.098 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)s2)N1 587849878 WUWNIRXVSCSREN-VXJOIVPMSA-N 453.602 5.476 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2csc3ccccc23)N1 587857717 MTMRFIUEEASGPG-NSPYISDASA-N 469.217 5.976 50 1 JKGF Cn1cc([C@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)cc1C(=O)C(Cl)(Cl)Cl 962671248 TXKIYEKGBTUYJD-QFIPXVFZSA-N 482.238 5.873 50 1 JKGF Cc1sc2c(c1C)CCN[C@]2(CBr)c1c(F)ccc(Br)c1Cl 963009228 KUZLKGYKNHKMKB-MRXNPFEDSA-N 467.629 5.704 50 1 JKGF Cc1cc([C@@]2(CCCCCCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963188730 WHAVKTMFBLVRJN-IFMALSPDSA-N 492.340 6.448 50 1 JKGF C[C@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857582974 TZDRJLMYMKRMGB-INIZCTEOSA-N 465.362 6.131 50 1 JKGF COc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3C[C@@H](Cl)c2ccccc2)cc1 13675521 JLAFLFSIZKEYGK-XMMPIXPASA-N 493.007 5.640 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CCl 44032180 XTUJPBGFAFIANJ-RASRKNKNSA-N 478.117 7.265 50 1 JKGF Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98084013 GGJDQCUZFUGHFG-VWLOTQADSA-N 465.553 6.095 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 587328651 JUEMBZWODPFJMJ-IFMALSPDSA-N 495.266 6.199 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(SC(F)(F)F)c1)CC2=O 587463857 CWOZWPPAGFNOSZ-IBGZPJMESA-N 475.326 6.212 50 1 JKGF N#CSC[C@@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612314 JEANVWNOVMISKB-OXQOHEQNSA-N 474.357 5.288 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 587672088 CVXVHBFXJTXMNK-ASSNKEHSSA-N 467.220 5.640 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587703466 GVPDKZVSMUITTM-YMBBQFJWSA-N 482.674 5.244 50 1 JKGF C=C[C@](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)(OO)C(C)C 2356526977 RBCZOQQEGCYPRX-FSEGCFSWSA-N 458.683 6.592 50 1 JKGF ClCCN(CCCl)CCCCOc1cccc(Nc2c3ccccc3nc3ccccc23)c1 43077565 XJBSRUXFVZVVJB-UHFFFAOYSA-N 482.455 7.070 50 1 JKGF CC(=N/NC(=O)COc1ccc2ccccc2c1)/C(Cl)=N\Nc1ccc(Br)cc1 82154157 JCGNAXZOFHYKAT-QVJLQZFISA-N 473.758 5.138 50 1 JKGF CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC(C)C)c1=O 205281641 FJMBJZNFDPARJP-UHFFFAOYSA-N 457.615 5.045 50 1 JKGF Fc1cc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(F)c1F 587138615 NFUIJRQWZKPBAK-UHFFFAOYSA-N 481.206 7.185 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr 587455413 BOLANZLWLCTLFB-FVXHZLDESA-N 486.244 5.643 50 1 JKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587537367 DLXIHVFCZORURF-RCZVLFRGSA-N 491.341 5.138 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C(CCl)(CCl)CCC2(CCl)CCl 587546810 XWFZKUSZHWFREP-KRWDZBQOSA-N 490.210 5.814 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Cl 587558671 SUCDJSFWMVXVKS-SIKLNZKXSA-N 477.713 5.745 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)s1 587614418 SKFHLTPJOSBFCX-WIYYLYMNSA-N 479.779 6.092 50 1 JKGF COc1cc2c(cc1OC)[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(C(=O)c1ccccc1N)CC2 963145759 VOBKOSBCOALIAI-HSZRJFAPSA-N 484.713 5.828 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1coc2c(CCl)cc(Br)cc2c1=O 963234730 VPRBWHZNSOHSMC-QKKBWIMNSA-N 460.799 6.040 50 1 JKGF CC(=O)Oc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2c(Cl)cc(Cl)c(OC(C)=O)c2n1 1857565924 NJINLWGHFAYKHB-ONEGZZNKSA-N 461.257 5.471 50 1 JKGF CCCCC[C@H](NC(=O)CCC)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](CCCCC)NC(=O)CCC 36330297 NMRBYFIBVCAQJV-VXKWHMMOSA-N 496.733 5.839 50 1 JKGF Fc1ccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)cc1 96272499 MEFXUBVFUNBNFN-SFHVURJKSA-N 460.738 5.320 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C#N)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933841 NDGFFPFPGDXKOP-DIUBKPNJSA-N 495.623 5.963 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587320941 BWDWGHFNUXKOOJ-GMAHTHKFSA-N 475.741 5.873 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 587322100 GCILBHPKSATBFF-MYKRZTLLSA-N 458.916 6.766 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 587674123 SYEQIZXQSULFAE-NPMXOYFQSA-N 489.226 6.428 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(F)(F)F)c1CBr 587893159 VJSCGHMFPJUVIC-UHFFFAOYSA-N 479.123 5.618 50 1 JKGF Fc1cccc([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962645130 SBQVWEHAVQNIJM-UKILVPOCSA-N 451.383 5.211 50 1 JKGF COc1ccc(C2([C@H]3CC(=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)SCCCS2)cc1OC 1772645123 RLHUTOGLAZWVIM-FXAWDEMLSA-N 484.756 5.680 50 1 JKGF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](c2ccccc2)[C@@H](Br)C(=O)O)cc1 13756138 ULXYLNLYZUYLJG-XZOQPEGZSA-N 492.417 5.639 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 36089188 ICFOPLOPLNRVLF-LZGWYTSBSA-N 477.689 7.112 50 1 JKGF C=C1CC[C@@H](C)C(C)(C)[C@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238738858 MBNLFFHRULJOPH-ZMSFEEFJSA-N 486.737 6.325 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587054773 IRAKNOFYUDVCJO-QPEQYQDCSA-N 477.277 6.102 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587321325 DAQYSUTVUMUXNJ-KNQAVFIVSA-N 486.153 6.896 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCO2 587495869 AOGIZKHBEXRHMW-HHHXNRCGSA-N 463.961 5.801 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCCC2 587539041 UTBMWWYBMKAPGP-RCZVLFRGSA-N 465.343 5.523 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686899 XXTJXIRTCNTKBE-ASSNKEHSSA-N 453.783 5.343 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587709583 BADLKTRIFMTPRY-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 587716082 DIIJAZMFHGMYIX-XOGXVMKQSA-N 495.152 5.761 50 1 JKGF COc1ccccc1[C@]1(CCCCCCCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962767669 PYORMRHITYZBOV-NFBKMPQASA-N 453.932 5.774 50 1 JKGF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)(c1cc(S(F)(F)(F)(F)F)ccc1N)NCC2 962917044 KILVYUGMDUFUBI-JOCHJYFZSA-N 472.527 6.221 50 1 JKGF BrCCc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963816630 GCQHXMVJVJVSDJ-RUZDIDTESA-N 461.403 5.919 50 1 JKGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1Cl 1857607403 HLULTZRXKIQNBX-ZIAGYGMSSA-N 476.172 5.484 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@](C)(CO)[C@@H](O)CC[C@]43C)[C@H]12 2356804462 QFMLBJPCQONEAF-ILIMSQGGSA-N 486.693 5.241 50 1 JKGF C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N/NC(=O)c1cc2ccccc2cc1O 6014145 NLBYKFPTYDZELL-NVJOKUIPSA-N 463.843 5.352 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)[C@H](C)Cl 35246483 GNLMRVPBBDXJBL-AVRWGWEMSA-N 484.427 5.823 50 1 JKGF in-vivo COc1ccc2c(c1)c(/C=N\NC(=O)c1cn(C)c3ccccc13)cn2Cc1ccc(Cl)cc1 73224967 YXFSKWWVIRQDBC-NUJZUDFISA-N 470.960 5.607 50 1 JKGF Cc1sc2nc3c(c(NCCCCNC(=O)CCCC[C@H]4CCSS4)c2c1C)CCCC3 98084417 VSAQYDUAMVZEBL-IBGZPJMESA-N 491.792 6.814 50 1 JKGF COc1ccccc1NC(=S)NNC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 299838521 UXNOPVUBUGENJI-UHFFFAOYSA-N 489.707 5.247 50 1 JKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587056442 OKUCVESAQBDIGR-UHFFFAOYSA-N 485.261 8.366 50 1 JKGF O=C(Cl)c1ccc(-c2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)cc1 587276253 KSZAWTAHOGVHKD-UHFFFAOYSA-N 470.706 5.360 50 1 JKGF COc1cccc(-c2cc([C@H](Br)Cc3ccc(F)cc3F)nc3c2oc2ccccc23)c1 587359770 HQUPBXCQDQIEPN-OAQYLSRUSA-N 494.335 7.614 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)CC2=O 587458357 ARZCPTZQENFQOL-GDLZYMKVSA-N 480.048 7.149 50 1 JKGF Cc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587673552 ODNHICZFDVGCEV-ZMZPIMSZSA-N 461.600 5.723 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682184 BWIUEODZUDGJER-CMJOXMDJSA-N 450.823 6.653 50 1 JKGF CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587959383 LUDSNBGYOCKPTP-MDZDMXLPSA-N 468.730 7.917 50 1 JKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)c4cc(OC)ccc4CCN3C(C)C)c2C)cc1 962095481 ZBXLKDRQSBDNFD-NDEPHWFRSA-N 467.053 6.250 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 13733138 MQOUPVQZLSJCNN-PMWCCKDCSA-N 483.656 5.771 50 1 JKGF COc1cccc([C@@H]2C(C#N)=C(NC(=O)NCc3ccccc3)Oc3ccc4ccccc4c32)c1 38141947 XNIWPEIKVYXQKN-AREMUKBSSA-N 461.521 5.607 50 1 JKGF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)o1 586930459 FAPDLNATGFETIZ-UHFFFAOYSA-N 496.277 5.493 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054266 DOMXVTZVZAEJMS-AUWJEWJLSA-N 476.289 6.755 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 587322097 GCILBHPKSATBFF-KZQOYIJHSA-N 458.916 6.766 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 587373761 SFAWLBVNOUKKNF-WHDAMIPWSA-N 495.362 5.250 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558161 QUUFXOLUUGRHRP-IEGUWTFLSA-N 493.275 5.536 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Cl 587571230 ZYLIOZOCFHOSPE-WIYYLYMNSA-N 463.686 5.437 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587674566 XOEIAVKFEILIIB-QKKBWIMNSA-N 469.236 5.959 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 587689310 RQHIOFHFKXFBLC-XQLUGIRFSA-N 483.812 6.827 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1([C@H](Cl)C(=O)c1ccc(F)cc1)C(F)(F)F 962368363 AMOIYDUATGAKTE-RTWAWAEBSA-N 470.919 5.532 50 1 JKGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CCCCCl)(c2ccc(C(F)(F)F)cc2)N1 962646051 WBDQJCCPJKMKGJ-OXQOHEQNSA-N 495.847 5.856 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)[C@@H](C#N)c1ccccc1 963196839 RNYVTPHHJOGPKO-NXCFDTQHSA-N 456.387 5.707 50 1 JKGF CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1 2178319808 ADGLZSCHFPDFII-MYDTUXCISA-N 481.826 5.005 50 1 JKGF C[C@@H](CC=CC(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356375126 QVDQRPBOZUHTCX-IHVWMDIFSA-N 458.727 7.637 50 1 JKGF C=C(C=CC=C(CC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 2356558761 LCTUPPDJKLEUIE-HYKJKDMVSA-N 484.721 6.388 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 58689572 HGXHYZGOSKSNTQ-AJNNAGPSSA-N 484.721 7.429 50 1 JKGF N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 96933468 IUAUQYQJLPKKHM-RPBOFIJWSA-N 475.939 5.859 50 1 JKGF COc1ccc([C@@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934100 OBUVQOKGWJVHLZ-YIOBJHAYSA-N 456.494 5.000 50 1 JKGF CCCCCCCCNC(=O)OC[C@@H](OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170167414 FAQROORDHIPZBC-SANMLTNESA-N 485.741 5.622 50 1 JKGF COC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1OC 587054400 FRQLTVXDRIRIKL-WJDWOHSUSA-N 495.366 6.137 50 1 JKGF O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1 587217356 CLIQPIWTQHCYHS-IBGZPJMESA-N 453.436 6.740 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587325931 IBACDCSUKMKBQN-IXCJQBJRSA-N 464.964 7.072 50 1 JKGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587329061 WWCDDBMSMZBWNH-ZEQKJWHPSA-N 479.891 5.292 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@H](Br)CC)CC2=O 587454383 XAYVZDWGFDFGEP-GGAORHGYSA-N 460.368 5.337 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(Cl)c1 587538136 NTFITCUGGSDSED-GHTZIAJQSA-N 480.141 5.951 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542011 FFTMATUJKCWLSC-SQJMNOBHSA-N 451.906 5.083 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587687720 HJVOTDGYVQAZAB-DMZKTXOQSA-N 465.794 5.664 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(F)cc2)N1 587728844 FZDJGZJTHYJABS-BLVKFPJESA-N 459.172 5.680 50 1 JKGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1NC(=O)CCCCl 587880112 DHTXFUGGVOYZNY-UHFFFAOYSA-N 465.808 5.278 50 1 JKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]2(CCCCCCl)c1ccccc1Cl 962962843 VOPIAKQSIBIJMP-XMMPIXPASA-N 486.405 7.053 50 1 JKGF O=C(N/N=C/c1ccc(O)c(Br)c1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857771759 ILKNWIRHULEIEG-KBKYJPHKSA-N 484.285 5.070 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356628675 BDSKDSKGSUVYFT-DTXPUJKBSA-N 474.726 6.613 50 1 JKGF Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 9035720 YCLFNFMIGLHWRQ-IOTHUQLXSA-N 453.347 5.307 50 1 JKGF CCOc1cc2nc(CCCCl)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC 13490824 AYOJFONFAZWCIP-UHFFFAOYSA-N 483.037 6.774 50 1 JKGF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(CNC(=S)CCCC[C@H]2CCSS2)c1-3 299809511 UQEISUKMQDWLIR-ZCYQVOJMSA-N 496.811 7.350 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)ccc(Cl)c1Cl)CC2=O 587465040 FOLNSCDSKNVFEY-IBGZPJMESA-N 462.142 6.046 50 1 JKGF N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587542669 IBCPPATWVKYMDD-OZXSUGGESA-N 458.901 5.621 50 1 JKGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCCCl)(c2cccc(C(F)(F)F)c2)N1 962630165 JOLUYQKOMVHLDN-MJGOQNOKSA-N 481.820 5.466 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCCl)(c2ccccc2)N1 963202348 YXWCCKWZTZPXJK-IFMALSPDSA-N 474.350 6.391 50 1 JKGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](C)CC[C@H]1[C@]3(C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356500804 CBRNIVWTBUBBKT-CPOMRAPASA-N 474.638 5.411 50 1 JKGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)s1 13584655 LDJXXXIGJUMYDF-DEDYPNTBSA-N 470.554 5.387 50 1 JKGF C(/C=C/c1ccccc1)=N/c1ccc(SSc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 100892701 UTZIQCCOURHJMP-ZMGMQPIASA-N 476.670 9.317 50 1 JKGF CCCCCCCCOc1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2cc1Br 587188843 XROFGZBGGZVHKM-ZHZULCJRSA-N 466.423 7.437 50 1 JKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CCC2=O 587208608 VYONPHDOGKVDSE-SAPQWYKQSA-N 476.458 6.458 50 1 JKGF COc1cccc(-c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)nc3c2oc2ccccc23)c1 587358624 AMFQZWIOGRXQEK-UHFFFAOYSA-N 477.454 8.981 50 1 JKGF O=C1C[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587503608 HXNBAZLUQZPYGK-FQEVSTJZSA-N 461.224 5.517 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683843 IGFRTHIPISIUCW-MYYSRTQBSA-N 487.800 5.592 50 1 JKGF COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684976 NFYGKAADZSWMSP-WVDJIFEKSA-N 454.723 5.065 50 1 JKGF CC(C)=CC=CC(C)=CC=CC(C)=C[C@@H]1C[C@@]2([C@@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@H](O)O1 2356535659 GRUFCNNJWIBQMG-PMPPGDGWSA-N 484.677 5.500 50 1 JKGF CCCCCCCCCCCCCCCCC=C(C=O)CCCCCCCCCCCCC 2356721213 YATMVCAGKFBFQY-UHFFFAOYSA-N 462.847 11.684 50 1 JKGF C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCCC=C[C@H]1C2 195517238 KXYJMXIMQSTFBJ-QQKQFIJSSA-N 486.773 6.245 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325977 IZJIGEHGGVYSLO-XTEPFMGCSA-N 495.978 6.543 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)CC2=O 587460673 OONFFMMDPYCXQB-MHZLTWQESA-N 486.439 6.759 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Cl 587566968 CORSTZCGRVZGPN-RXVVDRJESA-N 463.686 5.437 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587673904 RHIVODJGZUSWRQ-ZSEKCTLFSA-N 469.236 6.058 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685681 RGVCTYIRGNJGKS-ZINOCKGTSA-N 463.819 5.106 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 587853319 PQQIXAZOXBHWKT-JPGZBRLGSA-N 486.410 5.325 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(NCCc3cccc(-c4ccccc4)c31)c1ccccc1C2=O 962664721 POYZUIRWXQFGFV-FZYZMVIOSA-N 493.006 5.901 50 1 JKGF COc1ccc([C@]2(C(Br)Br)c3c(F)cccc3C[C@@H]3CCCN32)cc1OC 963098299 GKKHVOCLLODJMK-YCRPNKLZSA-N 499.218 5.223 50 1 JKGF Fc1cccc2c1[C@@H](c1ccc(Br)c(F)c1CBr)N1CCC[C@H]1C2 963101625 LKXQYIFWUXJOEQ-HXPMCKFVSA-N 457.156 5.732 50 1 JKGF CCCCCc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857752739 IDZNSYNRIHRJEK-UHFFFAOYSA-N 451.785 6.151 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 2356495170 IJLWXMAZQWVPRJ-CBIRHZAISA-N 458.727 8.273 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl 1660615 MNJGKVUCKBAOIV-LSDHHAIUSA-N 490.999 6.653 50 1 JKGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2 13151898 BGFCFSUMQMMXNS-LFCPLDRDSA-N 479.001 6.836 50 1 JKGF O=C(N/N=C(/c1ccccc1)c1ccc(O)cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 53229231 AJZHZADQJVVOCX-JVCXMKTPSA-N 479.496 5.082 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccc(-c4cccc5ccccc45)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105455 SJCYSZQOHYQIBP-CYEQIVNKSA-N 486.608 7.094 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@@H]1c1ccc(F)cc1 587325465 FURKIZBYBBOJHV-PXJZQJOASA-N 470.927 6.596 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)CCC2 587498839 PJOGQMKZXJWJAG-GDLZYMKVSA-N 460.017 6.561 50 1 JKGF COc1ccc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Cl 587541441 BDKKBKHJZSTXJU-NVQXNPDNSA-N 481.331 6.303 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544197 NBTPLSCLDSMVCO-BZNJZZLASA-N 465.933 5.471 50 1 JKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 587616971 IFIUWSHJLKZJMD-RDPSFJRHSA-N 481.367 6.167 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2O)N1 587672786 HUPYUCSSCIRRAB-XYZCENFISA-N 463.572 5.120 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2Br)N1 587680312 PIOAFRXHSCLPMB-VPTHRUTESA-N 483.006 5.416 50 1 JKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)NCCc2nc3ccccn3c21 962989223 ZKCAMCAOIHWVDQ-DEOSSOPVSA-N 485.802 5.256 50 1 JKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccn3)nc12 1857647460 GCPSNCBVMHGOAN-UHFFFAOYSA-N 482.523 6.603 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CCC1)CO4)C3=O 2356381840 CGYXUANFCZTNCN-WDNCENIBSA-N 477.384 5.285 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@H]1C 2356476540 KWJCZFYAVGCCMW-JXQOEZKUSA-N 458.727 7.737 50 1 JKGF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@]34CC[C@H]5[C@@H]6OO[C@H]6CC[C@]5(C)[C@H]3[C@H](OO4)C(=O)[C@]12C 2356625809 AMDQNMUODBOOSA-OGAMKIBFSA-N 458.639 5.681 50 1 JKGF COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641211 TZUGBDLFDFMPKW-HNSNBQBZSA-N 489.619 6.628 50 1 JKGF C=C(c1ccc(F)cc1)[C@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84652945 QUSFRWBCEGVWGG-YPNMQLSXSA-N 482.504 5.681 50 1 JKGF Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@H]3c3ccccc3)c2C#N)c1 96933507 ZNMLHRMEJMKBPU-CLJLJLNGSA-N 489.966 6.167 50 1 JKGF C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 257377471 ALBRPHJUQRKZLQ-QZFDHQAGSA-N 454.695 6.837 50 1 JKGF endogenous,in-man Cc1nc(Br)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587010971 KLNZHVMHUUPZDZ-UHFFFAOYSA-N 499.122 7.177 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587319495 BXSPJSCTVLMKFN-IFMALSPDSA-N 472.266 5.089 50 1 JKGF CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(COCCCCCBr)n12 1857752635 KPOJVOWMOXWDKT-UHFFFAOYSA-N 473.436 6.697 50 1 JKGF CC(C)=CCCC(C)=CCC[C@]1(C)[C@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356450998 QVXPDENFBGGWAY-HYZYYIOASA-N 487.478 7.856 50 1 JKGF C[C@](Cl)(C=C[C@@H](Cl)[C@@](C)(Cl)C=CBr)C(Br)Br 2356629874 SULCBXDYEPVPKS-JEZHCXPESA-N 478.277 6.170 50 1 JKGF C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 153228513 KICRJBQYQISQJK-PKNYFFNPSA-N 458.727 6.709 50 1 JKGF CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 255273341 VNMYLOSUYWAAHM-XVGAYARYSA-N 476.742 6.998 50 1 JKGF O=C(c1coc2ccc(Cl)cc12)[C@@H](Br)CC[C@@H](Br)C(=O)Cl 587275572 BQQSMEQQWLUZIQ-WDEREUQCSA-N 456.945 5.342 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587322790 OSXMFQZKGSGNOV-UNMCSNQZSA-N 461.714 5.834 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)c2ccccc2)N1 587673665 PAWJUQQDFGPGAQ-RBZFPXEDSA-N 455.209 5.690 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587683435 HCMFULMKFCHLDV-CMJOXMDJSA-N 452.839 6.683 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587713621 TWAIJXRESFNLQB-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1)C(F)(F)F 962730136 LXCWTWWTUIMBLP-AHKZPQOWSA-N 489.477 5.180 50 1 JKGF CC[C@H](C)CN(C(=O)CCl)c1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1 1857766738 OHAXDBFAEZEBSO-LBPRGKRZSA-N 462.299 5.624 50 1 JKGF COc1cc2c(cc1C(=O)Nc1ccccc1OC(F)(F)F)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857774808 VAKQRPPGQHUYPM-BKMJKUGQSA-N 498.501 5.725 50 1 JKGF COc1cc(N2C(N)=C(C#N)[C@@H](/C=C/c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45260598 VYLUCRHNOYXIPM-YVNCXZRQSA-N 485.584 5.199 50 1 JKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 95557284 YKSBFBSHBBLBBW-APVPOVLKSA-N 495.012 5.559 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068169 JTMGVGWGCYYSPW-UHFFFAOYSA-N 486.853 7.986 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 587324122 WCLAQFGSAWTZRF-IRLDBZIGSA-N 496.159 6.487 50 1 JKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418655 UUJPIKVDJRGISK-NYMACZPPSA-N 450.918 5.335 50 1 JKGF O=C1C[C@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 587499724 UXXDOKSDQOJUCC-VPUSJEBWSA-N 490.943 5.580 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(Cl)cc1Cl 963203036 JMOUATQFNAXMIW-ZEQRLZLVSA-N 486.240 6.755 50 1 JKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@H]1c1ccc(Br)cc1 1911572227 RRBCOXIAGAHGNK-NRFANRHFSA-N 487.309 5.146 50 1 JKGF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 587245876 AGLNMVMYKRKMKP-SFHVURJKSA-N 498.315 6.334 50 1 JKGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587538612 QAWLEKDBHNMVAH-UGKGYDQZSA-N 475.722 5.306 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1 587538724 BHWZAKVWPWNVDY-SIKLNZKXSA-N 459.723 5.641 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 587541215 DXLMPNTWSYZTGG-CUBQBAPOSA-N 468.892 5.581 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587546271 VKVJBVPSQBUEII-NQTLKNRLSA-N 477.944 5.936 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br 587671978 CDNYBIKYVRRCQX-SWHYSGLUSA-N 498.072 5.809 50 1 JKGF COCCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688359 LZJXLGOPAPNFII-LRTDBIEQSA-N 457.815 5.060 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 587724285 GQDJULKNWSKPRZ-IRKUAANASA-N 493.617 6.136 50 1 JKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(CCCCCl)c1ccc(Cl)cc1Cl 962699490 IJZRNEIJJOTLHS-HXOBKFHXSA-N 472.884 7.149 50 1 JKGF Cc1sc2c(c1C)CCN[C@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@@H](C)Br 963016903 CSNTUUKTNRDXIB-QRQCRPRQSA-N 450.442 5.489 50 1 JKGF COc1ccc2c(ccn2CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c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c1ccccc1)OC(N)=C5C#N 49777754 QAHDXDBTHWJKAG-NPPKLKBASA-N 486.656 6.333 50 1 JKGF O=C(O)/C=C\c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586880859 TWNMHSUQVTVMGH-WAYWQWQTSA-N 469.229 6.748 50 1 JKGF OCCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586894368 BJDGGECQOPUIKD-UHFFFAOYSA-N 493.380 8.029 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586973405 JUSRWMYATRWFDM-SECBINFHSA-N 462.107 6.391 50 1 JKGF Cc1cc(C)c2c(NC(=O)CCl)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)sc2n1 586993782 OTHWMWSLNTUSCK-UHFFFAOYSA-N 499.979 6.223 50 1 JKGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320688 GLJHQJWPQLWXFI-VTZPFEBOSA-N 499.332 5.112 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCc3ccccc3)cc1)CC2=O 587455904 HMSXNWDBFZNDOA-AREMUKBSSA-N 481.386 6.179 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-c3ccccn3)s1)CC2=O 587495227 PVABIIUNLVIDOT-JOCHJYFZSA-N 458.377 5.724 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 587573798 XTPPRJMCRAPDSM-LBNVMWSVSA-N 491.946 6.094 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 963240658 KZLOIIKCJSNLMH-HMILPKGGSA-N 465.037 6.004 50 1 JKGF COc1ccc(/C=C2\CC[C@@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@H]32)cc1OC 5844873 NHTZNOQMXDOAAM-OSPRVQRHSA-N 474.557 5.081 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299814816 HGXHYZGOSKSNTQ-NNSPOHCASA-N 484.721 7.429 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)n1-c1cccc(Cl)c1Cl 587055100 JWCMXORLCYGYML-VGOFMYFVSA-N 487.293 6.663 50 1 JKGF NNC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 587077800 YCTKWHWSTMFXLR-DTQAZKPQSA-N 465.944 5.522 50 1 JKGF CN(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323389 QYGPGCZLSYZLQO-LADGPHEKSA-N 470.338 5.247 50 1 JKGF COc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324214 XEDZWUCYVNPVEA-JTHBVZDNSA-N 457.295 5.189 50 1 JKGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325837 ZRKFYBGOVMLWCI-FQICASNESA-N 481.951 5.092 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 587338587 XODKEONRTWROER-UGKGYDQZSA-N 463.249 5.459 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 587500217 YWICFLWCQHFAPW-AREMUKBSSA-N 488.842 7.379 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCCC2)cc1 587537497 GFXMWBMOPIJVGQ-OZXSUGGESA-N 494.385 5.635 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1 587537564 HRUCMJZPKVXBRS-NQIIRXRSSA-N 490.147 5.407 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 587671330 QVDKHOOQYGXPSD-CRRGMUIASA-N 485.279 6.318 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)c2ccccc2)N1 587672957 JCDMVFNYRSSWJP-XCLFUZPHSA-N 455.209 5.690 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 587673094 KGALSUOZPQSVRA-QABPDZFRSA-N 489.226 6.502 50 1 JKGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587680689 VDTMQLBOYTWDRP-YPMLDQLKSA-N 477.599 5.376 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587683718 HTGISBRURCLCCW-BZQUYTCOSA-N 483.812 6.753 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587688564 MIJZEIMMJHZBPY-WGXRPPGPSA-N 472.829 6.963 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689456 SONASZJZZTVVGZ-NPMXOYFQSA-N 452.839 6.852 50 1 JKGF Cc1c(C(=O)c2ccc(N=C=S)c3ccccc23)c2ccccc2n1CCN1CCOCC1 13755919 WDWPXUWEUYFBSD-UHFFFAOYSA-N 455.583 5.400 50 1 JKGF O=c1oc(OCCBr)c(Cl)c2ccc(NC(=S)Nc3ccccc3)cc12 27630441 UEWSYBNXPNDECY-UHFFFAOYSA-N 453.745 5.029 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCc3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44053185 IXAFRYYRXFNCHJ-DSLAENGQSA-N 464.602 6.121 50 1 JKGF COc1ccc(/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C 195289577 LBOGQWYUXKSHIF-XDHOZWIPSA-N 483.637 5.895 50 1 JKGF N#CSC[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587368842 AJJKDLKAXNSQAC-VPUSJEBWSA-N 455.510 6.153 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 587377013 ZUJGTJMVFZOHNH-LADGPHEKSA-N 483.358 6.395 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587497500 ITPNPMDMEPPPSX-DNOBIOAJSA-N 468.424 7.114 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)(F)F)cc1 587558902 YCIFFMOJUQSWHV-WIYYLYMNSA-N 495.247 5.543 50 1 JKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568445 LWPGGHSLOXCQHI-SFYKDHMMSA-N 491.740 5.911 50 1 JKGF CC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@@H]21 2356451001 QVXPDENFBGGWAY-RMDSEJHCSA-N 487.478 7.856 50 1 JKGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=C[C@H](C)C[C@H](C)CC)CC[C@H]2C(=O)O 2356478580 JNXDHAJFIDNOLG-JJZMNFKESA-N 470.606 5.244 50 1 JKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2ccccc2Cl)C(N)=C1C#N 103950511 YZMUCJIVCFDIED-KRWDZBQOSA-N 499.804 6.165 50 1 JKGF Oc1cccc(CCCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586896052 HWMIWHDPEJMHTF-UHFFFAOYSA-N 471.289 7.254 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586973108 FLBBWEYKTYIFOF-VIFPVBQESA-N 478.106 6.271 50 1 JKGF CC(C)(F)[C@@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587087566 RPAWDONROIXTKU-INIZCTEOSA-N 456.153 6.089 50 1 JKGF COC(=O)Nc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587243203 FRYQAUXGUIQTCW-UHFFFAOYSA-N 472.233 6.828 50 1 JKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499508 UHHODHDFALYTDP-IGKIAQTJSA-N 470.009 5.849 50 1 JKGF COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686869 XUHADLQHWAGDQZ-WSVYEEACSA-N 451.767 5.403 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(F)c2F)N1 587719354 PTGRPQKNGLSVAQ-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF CSc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O 587845083 MTKHIFDADPPZHX-GIPWTMENSA-N 471.823 5.285 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1(C(Br)Br)C(C)(C)C 962402056 YXGMMRURLACQRK-SFHVURJKSA-N 460.279 5.502 50 1 JKGF COc1cc2c(cc1OC)[C@@H](c1ccc(CBr)c(C(F)(F)F)c1)N(C)[C@@H](C)C2 962570095 NDOZRHUFFFHPGD-FKIZINRSSA-N 458.318 5.583 50 1 JKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)NCCc4c(Cl)cc(Cl)cc43)c2C)c1 963122247 NYAYXJVMAJCZBC-QHCPKHFHSA-N 465.877 6.751 50 1 JKGF C[C@@H]1CC2=C([C@@H](c3ccc4ccccc4c3)C(C#N)=C(N)O2)[C@]2(C1)NCCc1cc(Cl)ccc12 963390857 NQJLYIITKFERIG-LVCBDQGFSA-N 468.000 6.026 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1ccc2c(c1)Cc1ccccc1-2 963603295 CFBJOQFVOJICLM-QMTYFTJSSA-N 464.403 5.448 50 1 JKGF CCCCCC[C@@H]1CC[C@H]2CC3=C4CCC[C@@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356376884 ZAKAKJOGFKHZJF-IKOQJJOSSA-N 477.784 6.456 50 1 JKGF CC[C@@H]1O[C@@H]2C[C@H](Cl)[C@H](Cl)C[C@H](C=C=CBr)O[C@@H]2C[C@@H]1Br 2356493716 DLWCNRZNBKQLBS-KJNIREJUSA-N 463.037 5.144 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 263591838 IJLWXMAZQWVPRJ-WTYRFYNUSA-N 458.727 8.273 50 3 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]2(C)O 33831940 UYSHRHKOHCLBCE-JRFMIZDWSA-N 486.693 5.724 50 1 JKGF biogenic,in-vitro CC1=C(CCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 84617676 FVWLXEMGTPBQRK-UHFFFAOYSA-N 489.575 6.547 50 1 JKGF Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1cc(Cl)ccc1C(=O)NC1CCCCC1 472780189 QHESDWVTBUEMIO-UHFFFAOYSA-N 498.414 5.314 50 1 JKGF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587087767 GUQUEKYZWVTAML-SSDOTTSWSA-N 468.236 6.733 50 1 JKGF CCCCCCCCOc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br 587187638 KEXBSWSKOHWDNG-RGEXLXHISA-N 452.396 7.129 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321338 JANQLQLAQHWTTA-WPFOTENUSA-N 455.323 5.959 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 587324019 VOZNFKVUGZQJEZ-IFMALSPDSA-N 472.266 5.089 50 1 JKGF Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587330796 ILJDJLQPJOSQFC-GGAORHGYSA-N 459.286 5.628 50 1 JKGF COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587372077 DUKTWHMZWYITPR-UGKGYDQZSA-N 491.334 5.029 50 1 JKGF O=C1C[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 587506650 KVMALNSUPDZNRY-FQEVSTJZSA-N 473.716 6.493 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539673 XGHKHUCIUGLIBS-ZJSXRUAMSA-N 469.331 5.431 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671582 URNOXNMZQUFWSY-DFFLPILJSA-N 483.263 6.348 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 587680303 PIOAFRXHSCLPMB-BCTVWOGZSA-N 483.006 5.416 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682167 BPQYSQBHYQRPPV-SHACYNPGSA-N 456.786 6.176 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587685051 NMZVNKICVAVGFR-FATZIPQQSA-N 489.772 6.180 50 1 JKGF COc1cccc2cc3c(nc12)[C@](c1ccc(CBr)cc1)(C(F)(F)F)NCC3 963040245 VHPJIAQLGSZMHP-HXUWFJFHSA-N 451.286 5.090 50 1 JKGF CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC(C=O)=C23)[C@H](O)O1 2356858328 SYUSWGHONLYYEF-KOGSQHESSA-N 468.678 5.741 50 1 JKGF Cc1ccc(CCNc2c(C(=O)OCC3CC3)cnc3c2cnn3C[C@@H](Cl)c2ccccc2)cc1 13675589 IWQXSZVGOYWAGJ-RUZDIDTESA-N 489.019 5.941 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2ccc(C(C)C)cc2)c1OC 29126326 FEJPIZUOABLPHH-CCVNUDIWSA-N 482.964 5.529 50 1 JKGF O=C1C=C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 95562317 NVZMPRCUMSWHAD-UHFFFAOYSA-N 477.520 5.350 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685274 PFPWSRNRJUFPTL-ASSNKEHSSA-N 453.783 5.199 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587689979 YHPUDOJDQYHNRK-CPJLOUKISA-N 489.860 6.629 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 963238225 ZSGIDOZZJUZRHX-DWXRJYCRSA-N 474.998 7.252 50 1 JKGF CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 5945438 QASMAWBJQKNMRM-AREMUKBSSA-N 493.394 5.065 50 3 JKGF COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=O)[C@@]3(C)CC[C@H]21 28825502 XCWQDUIKQDWONL-RPZUDJBVSA-N 496.644 5.477 50 1 JKGF CC(C)(C)[Si](C)(C)Oc1cccc(/C(=N\NC(N)=S)c2cccc(Br)c2)c1 170136047 MLYGCIOQVXWABG-NKFKGCMQSA-N 464.505 5.419 50 1 JKGF Fc1cc(Br)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587143141 XSWTWCSAPGQLMM-UHFFFAOYSA-N 496.068 7.551 50 1 JKGF N[C@H](Cc1ccc(I)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587185161 YIOPKCARNVWIGQ-GFCCVEGCSA-N 489.251 6.067 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)CC2=O 587461961 VLJMXNSOEXQQQE-AREMUKBSSA-N 467.949 5.580 50 1 JKGF O=C(CCl)Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587496945 GYDKOZXQUREPSA-NDEPHWFRSA-N 471.940 5.196 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545962 UHZXCEKFSKUYFX-QDPGVEIFSA-N 482.875 5.221 50 1 JKGF CCOc1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672155 DEMZTEPSTAALPX-BLVKFPJESA-N 457.181 5.160 50 1 JKGF COc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1OCCCCl 962639156 PUIJDEXASBGCMY-CUBQBAPOSA-N 463.021 5.539 50 1 JKGF C=C1CC[C@@H]2[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 1857762650 JKLHOVFBFXYZJQ-NQPHJXKUSA-N 488.741 6.368 50 1 JKGF Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@@H]3c3ccccc3)c2C#N)cc1 96933510 SWIVPPUYUJQGAY-UIOOFZCWSA-N 489.966 6.167 50 1 JKGF CC(C)[C@H]1C(=O)N[C@@H](CO)Cc2c[nH]c3c(CCCCO[Si](C)(C)C(C)(C)C)ccc(c23)N1C 195250450 YOEOCEPUKGKVEH-BWKNWUBXSA-N 487.761 5.006 50 1 JKGF COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl 587058513 ZNWVYXWVKFMDMF-OVCLIPMQSA-N 471.775 7.003 50 1 JKGF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587072819 XPKSSFGLAAUABC-UHFFFAOYSA-N 475.664 7.062 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(Cl)cc3F)nc3cccc1c23 587102746 FFJKNVQXMUPHPQ-IBGZPJMESA-N 466.737 6.917 50 1 JKGF CSc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609888 ARSVTESFVKMYMQ-DENIHFKCSA-N 457.345 5.366 50 1 JKGF Fc1cccc2c1[C@](CCCCCCCl)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1C2 963102585 NBFVHPCGCLTIAR-QPPBQGQZSA-N 453.951 7.298 50 1 JKGF NCCCCCCCCCCNCCSSCCNCCCCCCCCCCN 169331934 RANVXGGQPHSIBF-UHFFFAOYSA-N 462.858 5.706 50 1 JKGF CCc1ccccc1NC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299827746 RHVWCIZZFDOLEZ-UHFFFAOYSA-N 484.669 5.896 50 1 JKGF CCS(=O)(=O)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586922747 SECQKTHYHABHSP-UHFFFAOYSA-N 491.301 6.443 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4ccccc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057293 VBAWWFLFJQUOQR-JAIQZWGSSA-N 457.364 7.495 50 1 JKGF CCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321783 KQVRMNWWNBKJOV-NOZRDPDXSA-N 469.350 6.133 50 1 JKGF C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573593 ZZKALJSOSBODGE-NQIIRXRSSA-N 458.404 6.927 50 1 JKGF CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(SC#N)cc3)c(=O)c3ccccc23)c(O)c1 587666486 TXXXVOJTOVPCMA-UHFFFAOYSA-N 498.652 6.738 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 587857579 SCJYLDMRXHVVGT-NBMAIGHMSA-N 499.236 6.163 50 1 JKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CBr 26742726 NJULPAVJMURXJB-VGQDLNPGSA-N 488.260 5.198 50 1 JKGF COc1ccc(C2=NN(C(=O)[C@H](C)Br)[C@@H](c3c(Cl)cccc3Cl)C2)cc1OC 43074308 RPXNAGLQQNAKMU-MEDUHNTESA-N 486.193 5.472 50 1 JKGF C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 255270233 TXUMQRMGEPNFCA-IVBAYRGLSA-N 458.727 7.947 50 1 JKGF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587274088 MTFQZMFASXSXKI-ZETCQYMHSA-N 476.225 5.891 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587319438 BENJVBNDVMAFKT-QQFWFLOESA-N 489.768 6.531 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(-c3ccccc3)n(CC)c3ccccc13)CC2=O 587461699 SGFSKGFYAPKVHO-LJAQVGFWSA-N 474.000 7.086 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1COc2ccccc2O1 587499124 RXMSUMOKXBDLIT-LGGPFLRQSA-N 492.015 5.923 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(SC#N)c2c1 587620745 ZSXZVSZBCASTIG-UHFFFAOYSA-N 498.517 5.265 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2N)N1 587676198 CUIDSBJZZIIMGT-MGNBDDOMSA-N 476.615 5.340 50 1 JKGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587680686 VDTMQLBOYTWDRP-MGNBDDOMSA-N 477.599 5.376 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 587685192 OCKGTBHCHJEDIX-OWJWWREXSA-N 487.800 5.857 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(OC(F)F)cc2)NCCc2cccc(-c3ccccc3)c21 962671193 STTKQPSTQVZASM-FYSMJZIKSA-N 458.346 6.128 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)n1-c1ccon1 963192209 IXVKQRPYCOEPOP-AHKZPQOWSA-N 456.977 5.688 50 1 JKGF CC(=O)N/C(=C/c1ccccc1)c1sc2ccccc2[n+]1CCCCI 36381208 LTRXKPWXRVWKEE-OBGWFSINSA-O 477.391 5.038 50 1 JKGF CC1(C)CC[C@]2(C#N)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 38145621 VKTPMWHWKXESHY-KBQWGZMMSA-N 472.673 6.730 50 1 JKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](Br)C(C)(C)O 473123222 LGDQHJXARMHVRI-ORZNMBHWSA-N 466.298 5.754 50 1 JKGF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(O)c1 587239888 AECAMKCYAWUYRM-UHFFFAOYSA-N 483.462 7.083 50 1 JKGF CCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321784 KQVRMNWWNBKJOV-UKILVPOCSA-N 469.350 6.133 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@H]1c1ccc(F)cc1 587328959 WROUPYCIPDNPJY-RPLLCQBOSA-N 477.919 5.631 50 1 JKGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332505 RBBZRPMPKPWUEL-DFCYXGNASA-N 462.908 5.408 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587509909 YGJGWPWUXGQOJT-HHHXNRCGSA-N 485.958 6.674 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537796 KIVUTHNQVBIGSU-SQJMNOBHSA-N 492.325 5.608 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569755 JEGPJARUYFRHDR-RPLLCQBOSA-N 477.919 6.035 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)s1 587611090 FHYTXPURBUZYIO-APWZRJJASA-N 496.176 5.468 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587724897 MFZYOQQLLZDVIC-JJQCHNSYSA-N 463.135 5.428 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(I)cc2)N1 587738348 NLDPVMJPDQAFDU-BMLIUANNSA-N 494.573 5.209 50 1 JKGF Fc1cccc([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962645125 SBQVWEHAVQNIJM-ILBGXUMGSA-N 451.383 5.211 50 1 JKGF CC1(C)Oc2cc(C34C[C@H]5C[C@@H](CC(CN=C=S)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 299860407 JGIIYHSPDBHDIX-CFAPIQJMSA-N 453.648 5.749 50 1 JKGF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586879987 VZXOCOAUIMBKGP-UHFFFAOYSA-N 452.448 7.735 50 1 JKGF Cc1c(Cl)ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587055755 MOEQBQDCDVJYMS-MHWRWJLKSA-N 455.776 7.303 50 1 JKGF Cc1ccc(-c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083515 XUYAODXQSIXCCA-UHFFFAOYSA-N 485.865 8.657 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 587324011 VLPDPEVXCRKTIS-RBBKRZOGSA-N 461.714 5.834 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(F)c2F)[C@@H]1c1ccc(F)cc1 587339333 YVCFLDQTYCBEED-DENIHFKCSA-N 463.249 5.459 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(NC(=O)OCc3ccccc3)cc1)O2 587376945 ZCZPVDHGSJOUGK-RUZDIDTESA-N 495.373 5.582 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)O2 587382103 NWOJJDZLVYMVEO-KRWDZBQOSA-N 482.218 5.870 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F 587547416 LIZNHTNTXYGPFZ-DENIHFKCSA-N 465.855 5.469 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587684761 MCIHSMILIISTNU-RKNYENMMSA-N 470.769 5.698 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587715378 CIAZDKQWKXQYSH-SNFQMMDSSA-N 481.125 5.567 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Cl)N1 587725362 CTJSMOSVZFWRMN-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)n1-c1cccc(F)c1 963195745 WHKAVTGWWGAGOK-XZWHSSHBSA-N 484.018 6.839 50 1 JKGF CCCNC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 27989737 LCQQCSZUBVXWDG-KTMFPKCZSA-N 468.361 6.092 50 1 JKGF CCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCBr 43260003 KXVNEBHXCKBZCY-HXUWFJFHSA-N 465.493 5.244 50 1 JKGF O=C(N/N=C/c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 45340216 GFNMQVGJHNRAKI-VPUKRXIYSA-N 470.348 5.766 50 1 JKGF C=CCCC1(C[C@@H](Sc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)OCCO1 73315384 IXPNUUDYPSCIGN-AREMUKBSSA-N 464.567 6.218 50 1 JKGF C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 85973939 KMWGWTNMXOQIAG-OLYQEQHRSA-N 466.662 6.224 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586885491 VFJKZMWOKDTLQE-OXKORPGDSA-N 457.306 7.451 50 1 JKGF Oc1ccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 586897938 ALPNKVRJZIPNLV-UHFFFAOYSA-N 455.246 6.768 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 587670479 KYMLVARSYFREGZ-PJYBLOJUSA-N 461.600 5.803 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587689403 SADWMMFTOQMJQK-MQJDWESPSA-N 466.782 5.309 50 1 JKGF CC(C)c1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962923014 LTQSDFSFVSFZGF-AHWVRZQESA-N 496.401 5.545 50 1 JKGF CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 263590422 CJWJOUAXIFARGB-UHFFFAOYSA-N 477.593 5.720 50 3 JKGF C/C(C=O)=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 257394336 CFBBUWFXWSYJHB-HIVQQRJNSA-N 454.695 6.837 50 1 JKGF endogenous,in-man O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)c1 587048743 DYQBEBQYKWLYKZ-UHFFFAOYSA-N 458.839 8.020 50 1 JKGF Cc1ccc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587146797 WYPOROQFKYZLEP-SNAWJCMRSA-N 457.237 7.601 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324156 WPWIJDPWRBAXNE-RSXGOPAZSA-N 498.392 6.027 50 1 JKGF CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 587326844 NFADUXUAKSXISK-BKMJKUGQSA-N 465.908 5.254 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587546619 WZFVMEKZUUYZLB-IGKIAQTJSA-N 494.374 6.549 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](Cl)CCCCCCCCC[C@@H]2Cl 587704643 KECIVEYRDOYSPL-JLSDUUJJSA-N 465.278 7.057 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2csc3ccccc23)N1 587857719 MTMRFIUEEASGPG-WYRIXSBYSA-N 469.217 5.976 50 1 JKGF Cc1c([C@@]2(CBr)NC3(CC3)Cc3ccc(Br)cc32)cnn1-c1ccccc1 961751729 UBBMYSKBNFXDPI-QFIPXVFZSA-N 487.239 5.260 50 1 JKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CCCCCCl)(c2ccc(C(F)(F)F)cc2)N1 963238738 WFPUUQGEOOQTBR-LADGPHEKSA-N 476.926 5.895 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 2356616357 UNYVZURFRUMMAD-GTEMXYPASA-N 492.741 5.969 50 1 JKGF CCn1c2ccccc2c2cc(NC(=O)/C=C(\C)NNC(=O)Cc3cccc4ccccc34)ccc21 33921301 JKDRMABZGBNNGB-LVZFUZTISA-N 476.580 5.673 50 1 JKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CSc2ccccc2)=N1 34802420 BBNXZTOQBFTZPU-KXZZPGAFSA-N 472.532 7.028 50 1 JKGF O=C(C[C@@H]1CCSS1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 40846073 MFUUYCMEELSIJK-HNNXBMFYSA-N 461.410 5.618 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586974376 VSYZOOWACRPMTG-VIFPVBQESA-N 478.106 6.271 50 1 JKGF Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587260980 NVFICMIQHLRKFY-UHFFFAOYSA-N 458.206 6.866 50 1 JKGF N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321255 IMTCPPROYQCPQJ-FYYLOGMGSA-N 452.279 5.052 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 587324733 UBVVWNUYALDTAJ-ZDXQCDESSA-N 453.307 5.495 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587333524 WGLOAMOXLHKIST-UNMCSNQZSA-N 495.266 6.199 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)cc1Cl 587539512 WRBRECFFINWWAX-GHTZIAJQSA-N 480.141 5.951 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569328 PZNAIZFTIDJCSB-MIZPHKNDSA-N 475.285 5.397 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587674240 VHIAHIINQMSTEC-BBATYDOGSA-N 461.600 5.723 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Cl)N1 587734777 VPMFJVUSNDYOEN-XYZCENFISA-N 465.563 5.553 50 1 JKGF CSc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587848482 WQIUVPIDPVPILM-BBATYDOGSA-N 459.222 5.483 50 1 JKGF C[C@@H]1CC2=C([C@@H](c3ccc4ccccc4c3)C(C#N)=C(N)O2)[C@@]2(C1)NCCc1cc(Cl)ccc12 963390856 NQJLYIITKFERIG-KXAQDJTBSA-N 468.000 6.026 50 1 JKGF Cc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)S/C2=N\NC(=O)c2cc3ccccc3oc2=O)c1 1857620063 DRPQWESDZCGEOR-XRRXZQNGSA-N 499.523 5.062 50 1 JKGF CCCCCC=CCC=CCCCCCCC=C(C=O)CCCCCC=CCCCCCCCC 2356720916 NPIDKEOAAZWFLB-UHFFFAOYSA-N 484.853 11.792 50 1 JKGF CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 103202269 JZWDGQJBGHNOGZ-YDJIHCHBSA-N 468.556 5.763 50 1 JKGF COc1cccc(-c2c(CCCl)c(-c3ccc(Cl)s3)nc3c2oc2ccccc23)c1 587364811 HZLBBYXBVZCIRM-UHFFFAOYSA-N 454.378 7.820 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)O2 587372990 KDBYTPZJFCXQNE-GKVSMKOHSA-N 466.375 5.800 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)CC2=O 587464325 OEMXITJCLQGJJV-HSZRJFAPSA-N 493.572 6.685 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)ccc1Br)CC2=O 587466089 IPOOSQPSQYSIQJ-IBGZPJMESA-N 472.148 5.502 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587546910 YWKVXBJEWZHGCN-BKMJKUGQSA-N 465.933 5.372 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587681790 ARYXYZUOHFMTOM-SBKAZYGRSA-N 471.153 5.233 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F 587725879 SJTRKFCFDDHDSP-SHACYNPGSA-N 493.823 6.460 50 1 JKGF CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/c4ccc(O)c(O)c4)n3)c2C)c1 587924299 QKFNHGYWRYIGBA-VCHYOVAHSA-N 459.596 6.415 50 1 JKGF Cc1c([C@]2(CBr)NCCc3cccc(-c4ccccc4)c32)cnn1-c1ccccc1 962664926 ILVPROLSLCEXEW-SANMLTNESA-N 458.403 5.632 50 1 JKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCCl)(c2ccccc2C(F)(F)F)N1 962695598 IVVMUDVXBKGSCQ-IEBWSBKVSA-N 483.811 5.725 50 1 JKGF CC(C=O)=CC[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356325527 YFYWSGKZEZRVCN-MQVXEBTISA-N 456.711 6.629 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OCc3ccccc3)cc1)O2 587370795 BVLPEEGVURGTOS-DEOSSOPVSA-N 452.348 5.412 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)CC2=O 587456616 SGGGYAHGMYPQRD-QLXKLKPCSA-N 481.386 6.781 50 1 JKGF CC[C@@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496426 CTDIUGLONARNDD-FIBWVYCGSA-N 475.028 7.238 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587673079 KAOYGKVKIUFTLW-HUTHGQBESA-N 482.018 6.068 50 1 JKGF O=C(O)[C@@H]1Cc2occc2[C@]2(CCC[C@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963187246 CHVZDHBPDJEYTF-LLGBQNBKSA-N 477.944 5.527 50 1 JKGF CC1(C)C(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C(=S)N1c1cccc(C(F)(F)F)c1 1857592547 AZYBEACSJBLIBH-UHFFFAOYSA-N 490.441 7.280 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2C2CCCCC2)C1=O 1857769350 NMSBZPCNQUSKKI-NRFANRHFSA-N 454.611 6.046 50 1 JKGF CCCCCCCCCCn1cc(/C=C/C(=O)c2ccc(NC(=O)CBr)cc2)nn1 1911575160 BIWUQTDORYWRJB-CCEZHUSRSA-N 475.431 5.648 50 1 JKGF C=C(CCC(C)=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)C(C)C 2356544833 FNYATHKWPGEORD-OLUZHXLYSA-N 472.754 7.887 50 1 JKGF CC1(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)C2(C)CCCCC2)CCCCC1 13813292 CPHKBJBFYKJFHT-UHFFFAOYSA-N 496.742 8.304 50 1 JKGF O=C(O)c1cc2[nH]c([C@@H](Cl)CCl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587009135 XCKFIHYXOLKEAE-INIZCTEOSA-N 469.280 5.364 50 1 JKGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324838 AIRVHTQLMJLCKH-DHLKQENFSA-N 455.913 5.426 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Cl)c1Cl 587538271 OMUJAJONUSENJH-LAUBAEHRSA-N 480.141 5.951 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2coc3ccccc23)N1 587672708 HFPVDZZKPXHIFU-WYRIXSBYSA-N 453.149 5.507 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356404992 CUWJDZXEDIUEEW-MBTOSLSFSA-N 486.737 6.325 50 1 JKGF COc1ccc(C2=NN(C(=O)[C@@H](C)Br)[C@H](c3c(Cl)cccc3Cl)C2)cc1OC 43074305 RPXNAGLQQNAKMU-BZNIZROVSA-N 486.193 5.472 50 1 JKGF CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 138171876 GRUFCNNJWIBQMG-BXARQGEXSA-N 484.677 5.500 50 1 JKGF CCOc1ccc(-c2ccc([C@]3(C(F)(F)F)CC(c4ccc(C)cc4)=C(C#N)C(=O)N3)cc2)cn1 223905432 GQFDCKCMLZTMAS-SANMLTNESA-N 477.486 5.711 50 1 JKGF CC(C)(/C=C/C[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OO 255276655 WKQMXHFMAPGWJI-FWOGVYLZSA-N 474.726 6.920 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299814950 NLJZUEBZNDLTIT-AORDTYNOSA-N 496.732 7.438 50 1 JKGF Fc1nc(Cl)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587177388 GZLZPANBADUVQK-UHFFFAOYSA-N 452.605 6.837 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(SC)c3)c1C)CC2=O 587495118 ZUSKFZAYIZOWSV-AREMUKBSSA-N 470.034 6.574 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587496839 GDNAGHKIIIMMTM-GUNSETOZSA-N 485.967 5.585 50 1 JKGF O=C1C[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587501582 CHKYWQRAMOAVIW-FQEVSTJZSA-N 489.715 6.373 50 1 JKGF Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540903 RTVLANMCPZZEEC-DENIHFKCSA-N 474.738 5.223 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3o2)N1 587672791 HWTCIBGZDMGIEZ-JEOXALJRSA-N 453.149 5.507 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 587674649 YLLKVVYABRENKU-ASSNKEHSSA-N 467.220 5.640 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 587680310 PIOAFRXHSCLPMB-PWJLMRLQSA-N 483.006 5.416 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587747338 PVEQJXYSCXQANB-NEFMBNPPSA-N 498.396 5.128 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849523 AIIMKJZXPUHWJA-ZLKPTVAKSA-N 489.838 5.057 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957537 OUEDKAYBGSLBBG-SIKLNZKXSA-N 468.357 5.774 50 1 JKGF O=C(NN=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(F)cc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c1cccc(OC)c1C)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103220865 ZGIDNITVFSFTRI-UHFFFAOYSA-N 474.692 6.625 50 1 JKGF O=C(O)/C=C/c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586880855 TWNMHSUQVTVMGH-AATRIKPKSA-N 469.229 6.748 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587101475 HEAFXOHAJZZUDB-VWLOTQADSA-N 485.381 6.471 50 1 JKGF C[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130823 XKLUOQWBEHUDFV-RXMQYKEDSA-N 472.764 7.555 50 1 JKGF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587163761 OFHXWRLXJWMNPO-OAHLLOKOSA-N 474.268 6.773 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329262 CPNLAXMUAFFHHQ-YZCBWUASSA-N 459.286 5.708 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 587335934 RWGPRSDUTINGDS-KNQAVFIVSA-N 479.704 5.973 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl 587547110 ZGAQRHGJMJNKFW-NFBKMPQASA-N 456.281 5.328 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672578 GLSAOFHMFCIVIB-XCLFUZPHSA-N 471.208 5.548 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587674185 UHCSFGQAVRSFAB-OYHNWAKOSA-N 483.263 6.494 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962671737 UXBRRPMCBPGFKE-AREMUKBSSA-N 466.965 5.018 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1)C(F)(F)F 962730141 LXCWTWWTUIMBLP-XNMGPUDCSA-N 489.477 5.180 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=Nc2ccc(C#N)c(C(F)(F)F)c2)nc2sccc12 1857570402 VHNHXMLEPMLWMW-ONEGZZNKSA-N 491.498 6.693 50 1 JKGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@]2([C@@H]2c3ccccc3-c3nc4ccccc4nc32)NC1=O 1857758879 HXQRLDNODFOIHK-AYWVHJORSA-N 499.961 5.669 50 1 JKGF O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN/C=C1\C=Nc2ccccc21 135984847 VOAUJQKODFRFIQ-NBVRZTHBSA-N 473.989 5.208 50 3 JKGF O=S(=O)(c1ccccc1)N1CCC2(CC1)OOC1(CCCCCCCCCCC1)OO2 44145957 BPHCPDVROSYUQO-UHFFFAOYSA-N 453.601 5.078 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587319442 BGOABNVCOMIOMZ-GGAORHGYSA-N 491.740 5.843 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325382 YCQPMTOLMQUTIG-OGEURKDJSA-N 481.007 7.536 50 1 JKGF N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587378770 WNCQBNNDORJBQJ-PZJWPPBQSA-N 458.308 5.114 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)CC2=O 587463305 WIJTVOZDSFYXBE-ZDUSSCGKSA-N 496.064 5.362 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587687974 JFVLNYDNGBQZSK-CPJLOUKISA-N 489.860 6.629 50 1 JKGF CSc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O 587843091 GQYAUNVUYNPNIN-GIPWTMENSA-N 471.823 5.285 50 1 JKGF C=C1[C@H](OO)C[C@]2(C)[C@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C 2356510838 NOPDNDHQMGCGJR-WNNHXKJYSA-N 474.726 6.464 50 1 JKGF Cc1c(Br)cc2c(c1Br)O[C@@]1(CBr)CC[C@@]2(C)[C@H]1C 2356639325 MHTVVQOHWMXHOQ-TURNYIBQSA-N 453.012 5.734 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587414794 OOKWRJYYZDELEP-SIBVEZHUSA-N 487.434 6.034 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 587458141 GRCWUEBABUZYCU-WQIZZMQYSA-N 489.955 5.364 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587670961 NADUCZWMSQVCME-CLUVUEOHSA-N 475.627 6.111 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(Br)cc2)N1 587676474 DWICDMADGXREIT-VOJFVSQTSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711142 GFIWZXMZTSCQRT-BTDLBPIBSA-N 481.125 5.780 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)NC2(CC2)Cc2ccc(Br)cc21 961750907 QCMFOKKDOJSFLR-HXUWFJFHSA-N 485.647 5.736 50 1 JKGF C=C(CCC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)C(C)C 2356544834 FNYATHKWPGEORD-YPKYBTACSA-N 472.754 7.887 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)[C@@H](C)CCC(=C(C)C=O)[C@@H]1CCCO 2356652639 KGNYOYQNEUDLHE-ZSEJKAPFSA-N 458.727 7.497 50 1 JKGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1)c1ccncc1 64573506 QTEIZCYPMXQUAV-WAPCQROESA-N 479.411 5.976 50 1 JKGF CCc1ccc(CN(SN2CCCCC2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103169214 QGCPZYXSKOIUSL-UHFFFAOYSA-N 453.696 6.573 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587322170 GIROHUULCBVGGU-KNQAVFIVSA-N 451.708 6.243 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 587323524 RNTLRQYBHOEJMR-OFNKIYASSA-N 467.294 5.057 50 1 JKGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324843 AIRVHTQLMJLCKH-RDGATRHJSA-N 455.913 5.426 50 1 JKGF N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327242 FSNHBLXYZXUDEN-JTHBVZDNSA-N 473.447 6.019 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)CC2=O 587457680 ANSYSTRSSGACSZ-WJOKGBTCSA-N 496.990 7.300 50 1 JKGF CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)CC2=O 587490888 ZKECOHIGCSKLRQ-NDEPHWFRSA-N 466.517 5.809 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683122 FMKHNJMQPREEIP-OWJWWREXSA-N 487.800 5.592 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587685798 BFUCTKLZCNANBC-WHEQGISXSA-N 467.810 5.488 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 587688208 JRGDMOXMPQMUIH-DNHWONOYSA-N 463.822 5.868 50 1 JKGF O=C(CCl)Nc1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1CCc1ccccc1 1857769739 UPPOSJMSZZQZTP-UHFFFAOYSA-N 496.316 5.969 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]3(C)CC[C@]23C[C@@]13CCC(=O)O 2356433595 OGLJBMBPKNBOON-RKUCUOLRSA-N 468.678 6.787 50 1 JKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=CC=O)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O 2356485357 DCAWWGHVIJZCKX-ZZSSMYIZSA-N 482.617 5.389 50 1 JKGF O=N[C@@H](C[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 169691386 PMOLDZYUSXRAKJ-LEWJYISDSA-N 472.275 5.114 50 1 JKGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320685 GLJHQJWPQLWXFI-NMVJMZGASA-N 499.332 5.112 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)O2 587373610 MHESLYBKRMYGDW-VOIUYBSRSA-N 452.348 6.014 50 1 JKGF COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O 587417762 PXIOSQVRFJJVSI-PUAZMWONSA-N 456.369 6.026 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587454702 ZTULJWIVCLWUBM-UZTOHYMASA-N 494.012 5.504 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546933 YXIAQOGNBANCJD-KCWPFWIISA-N 454.865 5.657 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587670956 MYSDALQEKMJDEU-UFYHVXEKSA-N 457.181 5.158 50 1 JKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356646015 NBTVKSMHLQISOW-PUQQANLQSA-N 475.768 6.208 50 1 JKGF O=S(c1ccc(N(CCCl)CCCl)cc1)c1ccc(N(CCCl)CCCl)cc1 841229 HRZZQGMVOOZVOO-UHFFFAOYSA-N 482.304 5.421 50 1 JKGF COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587098102 RAGIYKCBQLABSF-UHFFFAOYSA-N 497.205 7.677 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587322830 PDYVYEOSQFSEKQ-DTNWAODDSA-N 483.377 6.693 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1csc2ccccc12 587619335 RWGDGGNJRJYXSH-NFBKMPQASA-N 467.340 5.859 50 1 JKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O 1857749749 KTVBVTNYECVIHP-LKWMMUANSA-N 462.703 5.200 50 1 JKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802418 HGQUYUYVUYMWQJ-FBNDGMMSSA-N 490.503 5.321 50 1 JKGF Cc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)/C(C#N)=C/C=C/c1ccccc1 71329776 VQUJWAFYWRWZCT-IRMYMQKMSA-N 498.546 5.390 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 137623033 CASWDFLWXWLZCX-OZTGUVMPSA-N 480.985 5.471 50 1 JKGF CCc1cccc(CC)c1NC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299830829 PRPVMDQNLOOSBH-UHFFFAOYSA-N 496.655 6.294 50 1 JKGF NNC(=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 586884719 YBMOKOCICYTYAO-UHFFFAOYSA-N 472.504 5.505 50 1 JKGF COC(C)(C)[C@H](Br)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586971614 VVJHGGZJOQLLOQ-MRXNPFEDSA-N 488.279 5.834 50 1 JKGF CCOc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1OC(F)F 587130940 RLVXSBKABUAVBR-YWEYNIOJSA-N 456.383 7.391 50 1 JKGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587324686 STLAVXBRALXYPL-TZXNOFHWSA-N 471.912 5.145 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)cc1 587332339 SAJLULKTFSBXMP-OFNKIYASSA-N 493.275 5.782 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587616961 IDEYMHRHGAEQCN-GBXCKJPGSA-N 466.946 5.352 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2Br)N1 587674668 YUTUWHZFDJOCRY-QGHHPUGFSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Br)cc2)N1 587845875 OOBGCHAPPGBBES-VOJFVSQTSA-N 470.205 5.343 50 1 JKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@@]2(C)c3ccsc3CCN2Cc2ccco2)c1 962705878 FXMNGXBQZSRLRQ-VWNXMTODSA-N 487.463 6.021 50 1 JKGF Cc1cc([C@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1-c1ccon1 963192239 IXVKQRPYCOEPOP-VPUSJEBWSA-N 456.977 5.688 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963194117 SNBRVRXXAVVVTC-ZNZIZOMTSA-N 459.387 5.381 50 1 JKGF NNC(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 26742794 FAYZFXYNZAPSSY-AREMUKBSSA-N 497.555 5.100 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccn2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802461 POFXSIUSYWVOOB-IOGCOABSSA-N 475.492 5.050 50 1 JKGF O=C(NNC(=S)NCCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299822672 BVDZJSDBZZYPLR-UHFFFAOYSA-N 484.669 5.054 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587028996 DWYCSXFERKWYFZ-UHFFFAOYSA-N 457.453 6.742 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587541618 CMODXZXHJPVOKO-SQHAQQRYSA-N 494.374 6.549 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)c2cccc(F)c2CCN1[C@H]1CCSC1 962708806 KXZWRUKAMDMAQD-VUCVNMQBSA-N 474.361 5.634 50 1 JKGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 963260592 ZEOWBMDYPIKUCV-DEOSSOPVSA-N 459.373 5.113 50 1 JKGF Cc1cccc2c1[C@](CBr)(c1ccccc1F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862990 LQYWROIXPQGLAX-OSPHWJPCSA-N 492.385 5.409 50 1 JKGF O=C(CCl)Nc1ccc(-n2nc(OCc3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857750689 FNZLCUSBFSJNKU-UHFFFAOYSA-N 487.774 5.997 50 1 JKGF CC1=CC[C@@H]2C(C)(C)[C@H](Br)CC[C@@]2(C)[C@H]1Cc1cc(O)c(CC(=O)O)cc1O 2356438908 XKOLGDSEOPITRU-RLBWGYBJSA-N 451.401 5.440 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4[C@H]5C=C6[C@H](CC[C@H](OO)C6(C)C)[C@@]4(CC[C@@]3(C)[C@@H]2C1)CO5 2356702584 KULQXGKKVLLNHL-JQMIMYQESA-N 456.711 7.655 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 32302244 VVGUCLDOXVGZMK-CNRMHUMKSA-N 454.695 6.384 50 1 JKGF FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(S(F)(F)(F)(F)F)cc4)n23)cc1 103303404 JRUPFXIUMYRPCH-UHFFFAOYSA-N 480.365 6.842 50 1 JKGF O=C(COc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccccc1F 587155499 ZQHOBELAKMBPFA-UHFFFAOYSA-N 487.425 7.044 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2Cc3ccccc32)[C@@H]1c1ccc(F)cc1 587323285 QOULYIVRLFWWNH-KIFXHHALSA-N 453.307 5.364 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324621 RZRVBFKMGCKIBN-HVKUTMBPSA-N 453.897 5.371 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)O2 587371189 DSHVEZDFMVHUPF-QHCPKHFHSA-N 463.792 6.391 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 587372686 FXBCDHMJZIGLCI-YLJYHZDGSA-N 467.743 5.849 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C 587546757 XNYROAMGAZCYJK-LITSAYRRSA-N 487.983 6.512 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587674239 VHIAHIINQMSTEC-ADLMAVQZSA-N 461.600 5.723 50 1 JKGF Cc1cccc2c1[C@@](C1CC1)([C@H](C)Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842222 WAEHKQBOIJWFDC-ORHBMQHOSA-N 452.389 5.020 50 1 JKGF Cc1ccc(C(=O)N(N=C2C(Cl)=C(Cl)C(Cl)=C2Cl)C(=O)c2ccc(C)cc2)cc1 1772656808 YLQSYGKUCFOBNZ-UHFFFAOYSA-N 468.167 6.334 50 1 JKGF CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@@H](C=Cc2ccccc2)C1(OCC)OCC 1857626293 ICXWWOOXSACVDA-RUZDIDTESA-N 463.574 5.777 50 1 JKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 34802487 HBSAMLCXJDHQEJ-QGWGWZPUSA-N 492.384 5.004 50 1 JKGF O=C(N/N=C/CCc1ccccc1)c1cc(/C=N/Nc2cccc(Cl)c2)nc2ccccc12 95553731 LQHIGZFIXMWHTO-RNXXLJRESA-N 455.949 5.683 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)cc3F)nc3cccc1c23 587103204 HPJXUFHONXSDHH-LJQANCHMSA-N 450.282 6.403 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324857 VBKUECIIUQCBQC-BKHJTQGXSA-N 486.970 7.383 50 1 JKGF N#CSC[C@@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612313 JEANVWNOVMISKB-OXJNMPFZSA-N 474.357 5.288 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2sccc2c1 587618608 OVPYZUCDFMIMED-REWPJTCUSA-N 467.340 5.859 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587671935 BOICPZUHHIWTSS-QRQCRPRQSA-N 496.262 5.751 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688248 JZDCBLUZNKZZKY-OYLFLEFRSA-N 475.833 6.321 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 587715376 CIAZDKQWKXQYSH-OOSSNNJISA-N 481.125 5.567 50 1 JKGF Cc1c(C(=O)Nc2ccc(-c3ccsc3)cc2)nn(CCCCCCl)c1-c1ccccc1 98084462 GKGNNZNHKIBWOJ-UHFFFAOYSA-N 464.034 7.248 50 1 JKGF COC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2CCCCc1ccc(N=C=S)cc1 253645712 MIAOJBAWGZZMRM-RCTAOEEJSA-N 469.050 6.207 50 1 JKGF C=C(CC/C=C(\C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@H](O)C[C@]12C 255202918 CPCXHJGLQHAOKZ-NBHGOMHUSA-N 454.695 6.693 50 1 JKGF CC(C)COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973761 OBUIIZDSWLGGIR-CYBMUJFWSA-N 466.217 6.407 50 1 JKGF Cc1ccc(/C=C(\C#N)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 587187835 LLHMIYKUZRPLES-LFIBNONCSA-N 464.422 6.346 50 1 JKGF N#CCCn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587329104 XDJXZFUUTIBJKS-AHKZPQOWSA-N 474.919 5.893 50 1 JKGF N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370467 XBRDDVMBDLUJAJ-GMAHTHKFSA-N 474.340 6.307 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)O2 587382422 PQNOLAFXCJBYPN-KRWDZBQOSA-N 493.117 5.614 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587545660 RZRFLUPJOJPXHM-GJZUVCINSA-N 463.917 5.108 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Cl)N1 587725363 CTJSMOSVZFWRMN-XYZCENFISA-N 465.563 5.553 50 1 JKGF COc1ccc2c(c1OC)[C@@]1(CCCC[C@@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962721897 XVEHRXNYCPYVRG-CVDCTZTESA-N 467.915 5.798 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23N[C@H](C(=O)O)Cc2cccc(F)c23)N1 962897808 LISYNSLENALQCW-ZKOMGTKCSA-N 475.539 5.018 50 1 JKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@H]1c1cccc(Br)c1 1911580225 UXFZGRURCZHLBQ-NRFANRHFSA-N 487.309 5.146 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40877789 VDSHKVZXKLNIOW-RHGYLGJDSA-N 479.115 5.147 50 1 JKGF Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)o1 64700402 AMEKFZSDKNRZRL-FCEKVYKBSA-N 484.536 5.100 50 1 JKGF COc1cccc(-c2cc(-c3ccccc3NC(=O)[C@H](C)Cl)nc3c2oc2ccccc23)c1 587357836 MZVYWALMXAOCHX-INIZCTEOSA-N 456.929 6.889 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2sccc2Br)[C@H]1c1ccc(F)cc1 587372666 FXBCDHMJZIGLCI-FXAWDEMLSA-N 467.743 5.849 50 1 JKGF C[C@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537816 KONBYSFVTNEPQI-NZQKXSOJSA-N 455.304 5.043 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 587672189 DXQSGVREVUHVTQ-CWTRNNRKSA-N 475.627 6.195 50 1 JKGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587673548 ODGKREYYFYEJHP-YPMLDQLKSA-N 477.599 5.423 50 1 JKGF CSc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587846231 PJCNNAASCNYNKG-YBTHPKLGSA-N 471.823 5.285 50 1 JKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587852791 JATWQCDAHBDEHK-YBTHPKLGSA-N 483.244 6.284 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCCCCl)(c1cccc(Br)c1)N(C)[C@H](C)C2 962640631 WXEREAATLHKOLF-IQGLISFBSA-N 494.901 6.776 50 1 JKGF COc1ccc2c(c1OC)[C@@](C)([C@H](Cl)C(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674694 YMYZGUZASJPNCK-GGAORHGYSA-N 469.931 5.900 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1scc(Br)c1Br 963222769 CUCKPDCKWOLOOW-KPZWWZAWSA-N 477.693 6.412 50 1 JKGF O=C(c1ccncc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 1772631893 HQMCKNCZINYUPZ-GHVJWSGMSA-N 461.221 5.551 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@@H]1CC[C@H]([C@@]23C=C[C@@]4(C[C@H](O)CC[C@]4(C)C2=O)OO3)[C@@]1(C)CCO 2356800329 PYCSWFKPEPDESO-YHMCWMGRSA-N 488.709 5.485 50 1 JKGF CC1(C)CC[C@]2(C(N)=O)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 38145609 JPNPFOBFOUTUHR-UQMAOPSPSA-N 490.688 5.691 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447643 JMRSKSDTQRQDGN-CTMHJSJUSA-N 488.531 5.964 50 1 JKGF C=C[C@@]1(C)C[C@@H]1C(=O)CC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I 195286009 ASGUHKPNUIEPOF-ZNLUXHQJSA-N 484.494 6.916 50 1 JKGF CC1=CC[C@H](C[C@H](C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC1 195415429 RYYKMHUDIBFBDK-RPBOFIJWSA-N 462.747 6.799 50 1 JKGF N#C/C(=C\c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587188901 WQVKWSBTXJEQAF-IZZDOVSWSA-N 450.230 7.047 50 1 JKGF O=C1C[C@](CBr)(c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 587497340 CBFUCFBTKIBABN-NRFANRHFSA-N 464.197 5.716 50 1 JKGF CCn1c(-c2ccccc2)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587498395 NRSHVEDDYBTRET-SSEXGKCCSA-N 470.012 7.307 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539237 VAQOZIPVKXBPRK-JCVZSFDNSA-N 465.343 5.521 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCC2 587539534 WXYQVOZPCTUCOP-XUZZJYLKSA-N 451.316 5.133 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542006 FFCCYBFJRGLZIU-OFSOJUDTSA-N 493.043 7.781 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542007 FFCCYBFJRGLZIU-POURPWNDSA-N 493.043 7.781 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671574 UITPJALMHDIKOT-ZKTNFTSUSA-N 475.627 6.111 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587709995 DNPOREAGCHOXAR-HUTHGQBESA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587709996 DNPOREAGCHOXAR-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF Cc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587718344 MZRRDJQTHJNHKC-XTZNXHDOSA-N 479.590 5.862 50 1 JKGF CS/C(Nc1ccccc1)=C(\C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957849895 MSFPATCQLAOVKF-ZZIIXHQDSA-N 462.578 6.031 50 1 JKGF C[C@@H]1CC2=C([C@@H](c3cccs3)C(C#N)=C(N)O2)[C@]2(C1)c1ccsc1CCN2Cc1cccn1C 962372955 KLKBXBWEPGDXKF-ZVNQEMBASA-N 488.682 5.594 50 1 JKGF COc1ccc2c(c1OC)[C@](C)([C@@H](Cl)C(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674700 YMYZGUZASJPNCK-JTHBVZDNSA-N 469.931 5.900 50 1 JKGF Cn1c(O)cc2cc([C@]3(CCl)NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)ccc21 963816554 DRSFTDGJBBFQGT-NDEPHWFRSA-N 471.988 5.572 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O)CCC=C(C)CC[C@H]1OC1(C)C 2356387044 FLUNPFSKRUNRAS-XQQPTAJKSA-N 474.726 6.852 50 1 JKGF C=C(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OC(C)=O)CC[C@]12C)OO3 2356799734 UUEPVSUUMBOSHU-OOVOSTDYSA-N 468.678 6.965 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 13607690 QVGXTQPZHCDXRZ-GOSISDBHSA-N 478.127 6.399 50 1 JKGF in-vivo O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1cccc(Cl)c1 95719679 NAXCZPWMFMOBLL-UHFFFAOYSA-N 461.581 5.155 50 1 JKGF N#C/C(=C(/O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc2ccccc2[nH]1 101726622 JICXZFARRJOTLN-UZYVYHOESA-N 476.631 5.897 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587009398 DCMXUNQDXIFURU-KRWDZBQOSA-N 478.874 6.340 50 1 JKGF Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587338594 XOIDDKVOXLXESK-JTHBVZDNSA-N 459.286 5.628 50 1 JKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587417365 LYQZNWJFYKIWGU-ATIYNZHBSA-N 451.950 5.383 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587681789 ARYXYZUOHFMTOM-FVINQWEUSA-N 471.153 5.233 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2Br)N1 587683266 WBXZKEKOJHZLNT-VPTHRUTESA-N 483.006 5.416 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686905 YBRIPNYBZWPVJN-AFMDSPMNSA-N 494.920 7.898 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587705006 KJEGSVCVFFSJFN-MTHQLEKQSA-N 482.674 5.244 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 587850463 YZUPXJGLFLGGBF-MPBGBICISA-N 496.243 5.884 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(F)c1N=C=S 587891868 HEZSZOLTCRGKPR-UHFFFAOYSA-N 472.166 5.340 50 1 JKGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 13779073 PDHMYNMLZUBRGQ-UHFFFAOYSA-N 454.317 5.150 50 1 JKGF CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 40614060 CYNIEYDHVYABKK-JJMMYFGJSA-N 493.221 6.391 50 1 JKGF CCc1ccc(C(=O)N(N(SOc2cccc(C)c2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293589 LYCCDUZMYKBHRG-UHFFFAOYSA-N 490.669 7.115 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3nc(Br)c[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587055669 MCLFSXHJPICSCG-NTUHNPAUSA-N 488.176 5.846 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183081 QYTKYFJMXMBKTB-UHFFFAOYSA-N 480.627 7.145 50 1 JKGF Nc1cc(C(=O)O)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587249538 NSUUMVQVGZFZKG-UHFFFAOYSA-N 458.206 5.930 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)O2 587372393 IMPYKDLKWRAIKE-HHHXNRCGSA-N 470.366 6.730 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 587372522 MCRHJCVKUOYGHK-SRGMZFCMSA-N 495.362 5.250 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccc(Cl)cc4Cl)no1)[C@@H](C2)C3=O 587414735 WXUSAADICNOAOP-LHSJRXKWSA-N 495.156 5.695 50 1 JKGF Fc1cc(Br)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCl 587625301 ASHGRPGEPJOVOO-UHFFFAOYSA-N 474.601 7.513 50 1 JKGF Cc1cccc([C@]2([C@H](C)Br)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961778789 SEBWDZJIMFWSSY-HFJWLAOPSA-N 485.466 6.173 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@H](C)C2 962625689 FMRPXFZNKWYOJE-WAIKUNEKSA-N 455.948 6.252 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753167 BCPWMPCOEAOEDD-BTZRARBUSA-N 481.416 6.082 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccc(C)cc1 13675443 RIRXINSSSSGINV-QHCPKHFHSA-N 462.981 5.551 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccc(Cl)cc1 13675535 XHZPZEQUPBCDRQ-QHCPKHFHSA-N 497.426 6.285 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CC3C4CC5CC(C4)CC3C5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101141365 MMARTRPWPSIUJW-HESZIPHJSA-N 460.611 5.200 50 1 JKGF Cc1cc(Cl)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)CCl 103210177 GQHCLAFUCHOPCH-UHFFFAOYSA-N 476.326 5.305 50 1 JKGF C=C([C@H]1[C@H](Br)[C@@H]2[C@@H](CC[C@]2(C)O)C1(C)C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 136977587 ARJJMSRVKBBKMI-AVVGUTAWSA-N 464.282 5.054 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1ccc(Br)cc1 299816737 OBTZBPSCLOQDLR-UHFFFAOYSA-N 479.403 5.241 50 1 JKGF CC(=O)N/N=C1/CC[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(C)C 299848979 RCFQMFZAFWOVMT-RZFPDHOFSA-N 468.770 8.156 50 1 JKGF COC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587054778 ITWAFTVNENQXMW-LICLKQGHSA-N 465.340 6.128 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(F)cc2Br)Oc2c1ccc1c2CCCC1 587504717 NDBVUCTWGZMSFD-HXUWFJFHSA-N 468.160 5.723 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 587711318 JWLDBTZVBDDIFF-BMLIUANNSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 587725345 PVRAGJASNAYEBI-VVVCHXIZSA-N 465.563 5.506 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962720021 ZNDWLDIMMRNEQS-QFQXNSOFSA-N 475.073 6.191 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@@](CCCCCCCl)(c2ccc(C(F)(F)F)cc2)N1)C(F)(F)F 962727798 AXDBVIADCTYKHR-RBBKRZOGSA-N 491.903 6.784 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1 963223502 BFDLXUBBDBQNRW-IPEONRORSA-N 459.977 5.112 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCCCl)c1cccc(OC(F)(F)F)c1 963235564 XAEKJBJQEOOLCA-NTKDMRAZSA-N 453.976 7.285 50 1 JKGF CCCCCN(C(=O)CCl)c1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1 1857769115 VCSBBAJWHKLYEQ-UHFFFAOYSA-N 462.299 5.768 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2356502054 VVGUCLDOXVGZMK-NTCNNDGISA-N 454.695 6.384 50 1 JKGF C=C(C)[C@H](Cc1c2c(c3oc4c(O)c5c(cc4c(=O)c3c1O)C=CC(C)(C)O5)C=CC(C)(C)O2)OO 85995918 ZKKHVRUAUFZRAN-SFHVURJKSA-N 492.524 5.703 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056644 QIAKNEMVQINSKV-ATVHPVEESA-N 458.352 6.890 50 1 JKGF CCc1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O 587324951 BBUYUUNEGXMUER-WIOPSUGQSA-N 455.913 5.426 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnc(N3CCCCC3)s2)[C@H]1c1ccc(F)cc1 587377175 QTIBEFTZIYFWQK-URXFXBBRSA-N 472.969 5.471 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O 587421671 QXMAFJAACDIGIP-KBXCAEBGSA-N 495.213 5.771 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1cccc(Cl)c1F)CC2=O 587465457 DWOASNFWRPYBSC-WIYYLYMNSA-N 455.751 5.867 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674097 STAUKGFVZRTLCW-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)NCC2 962928087 GMRCVCJSFDUZEP-UKILVPOCSA-N 483.837 5.567 50 1 JKGF Cc1cc([C@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)c(C)n1-c1ccccc1Br 963113052 YXQIFHYSIJMMKM-NLFFAJNJSA-N 487.844 6.499 50 1 JKGF Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(=O)N/N=C/c3ccc(Cl)cc3)c12 1772589379 JXWIVEBEUAGFTP-KKMKTNMSSA-N 457.843 5.165 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O 2356410416 KZOBOICRKKYGAQ-HWTLPYPISA-N 452.679 7.045 50 1 JKGF CC(C)=CCCC(C)=C[C@@H]1C=C(CO)[C@@H]2CC[C@@]3([C@H]2O1)[C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O 2356859989 UAIWZHQILBAHGX-RTAFTSLYSA-N 486.693 5.211 50 1 JKGF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](c2ccccc2)[C@H](Br)C(=O)O)cc1 13756142 ULXYLNLYZUYLJG-GOTSBHOMSA-N 492.417 5.639 50 1 JKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2ccccc2Cl)C(N)=C1C#N 103950508 YZMUCJIVCFDIED-QGZVFWFLSA-N 499.804 6.165 50 1 JKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324383 YFDSCILFJQJXIN-ZKMPZPQNSA-N 469.350 6.205 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(F)c2)[C@H]1c1ccc(F)cc1 587330991 GSSQNUUUVGUJQD-RBBKRZOGSA-N 463.249 5.459 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccccc1 587542723 IJIMRKJKPHHFQY-WSHBGFIESA-N 485.923 5.495 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC(C)C 587546801 XRBMYVNJBTVACC-ZEQKJWHPSA-N 453.966 5.953 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)cc1F 587554736 FEKHOIWPLKKYOE-GHTZIAJQSA-N 465.221 5.062 50 1 JKGF C[C@]1([C@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567194 FYNGXUHTVBGODK-ZRCGQRJVSA-N 457.295 5.258 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669203 BHJGHIJZLJBXRG-UFYHVXEKSA-N 457.181 5.158 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670178 IJWRAEMSRJJLAN-JTBRQZTESA-N 471.208 5.548 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587683423 HAPUQTVRAPGBSD-MQJDWESPSA-N 465.750 5.309 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Br)cc2)N1 587845848 OKZVLASRSQABLF-ZMZPIMSZSA-N 470.205 5.343 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587959208 MFTZGQXEENAEKX-UHFFFAOYSA-N 489.307 8.241 50 1 JKGF Cc1cc([C@]2(CCl)NCCc3cccc(-c4ccccc4)c32)c(C)n1-c1ccc(F)c(Cl)c1 962662613 LJSIBEPDYIMVBU-NDEPHWFRSA-N 479.426 7.182 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2c(F)cccc2CBr)N1 963185890 QKUZFUVVJUWAEP-GOEBONIOSA-N 466.656 5.081 50 1 JKGF COc1ccc(-c2nc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc3c2[nH]c2ccccc23)cc1 45258760 VBTDHTSMEPCFFE-STBIYBPSSA-N 463.541 5.222 50 1 JKGF CC(=O)O[C@H]1C[C@H]2OO[C@@H]3C=C4[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]4(C)CC[C@@H](C1(C)C)[C@@]2(C)[C@H]34 95908925 POHSXZIZHBZVSD-LKSRLTNQSA-N 498.748 7.514 50 1 JKGF biogenic,in-vitro COC(=O)c1cc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1OC 587056355 PLAPYRHYDOCECX-SXGWCWSVSA-N 495.366 6.137 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@@H](C)Br)CC2=O 587456599 RVAIEZNWGFAQSQ-ODXCJYRJSA-N 468.185 5.751 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)c(F)c1 587559404 XCZMGXJKUPZXOV-LAUBAEHRSA-N 465.221 5.062 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671044 ODOQUODDCRFSSY-IOSSYPJHSA-N 498.234 5.498 50 1 JKGF COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684962 NFYGKAADZSWMSP-CFMSYZGJSA-N 454.723 5.065 50 1 JKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12)OO 2356460092 JOMWQAFTYLTZSF-HEDCKHFSSA-N 498.660 5.706 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356679215 KWHXMASXPBOSRE-JBOQNHBVSA-N 458.727 7.641 50 1 JKGF CCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12 42890923 SCBJRQCIOUCKHN-DARPEHSRSA-N 450.671 6.065 50 1 JKGF CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 64549475 CYVNIVQCBPNSMZ-GUDVDZBRSA-N 451.445 6.185 50 1 JKGF C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319069 ABCSVBNBIVLIHI-HXRXSLIWSA-N 499.420 6.629 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325967 IQMPXTYJEHSLEZ-KJWPAHLWSA-N 477.960 5.417 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)O2 587372994 KDBYTPZJFCXQNE-SSOJOUAXSA-N 466.375 5.800 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674633 YIPHJBBSXLBHNG-LHSJRXKWSA-N 484.251 5.607 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2)N1 587684108 VVKVOCZPTWANNI-VOJFVSQTSA-N 461.600 5.757 50 1 JKGF C[C@H](Cl)[C@]1(/C=C2/N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689175 QMGFQHSDPBCEIO-STMWARIASA-N 477.849 6.257 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1ccc(CC(=O)O)s1 961782826 ZVCHGOGFSNJTPI-DEOSSOPVSA-N 477.026 5.009 50 1 JKGF Cc1cc([C@@]2(CCCCCCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963188732 WHAVKTMFBLVRJN-RBBKRZOGSA-N 492.340 6.448 50 1 JKGF C[C@@H]1[C@H]2CC[C@H]3C4=C5CCC[C@@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356507089 WMQCTQIEIFEXIR-RYKIWMGLSA-N 459.725 5.156 50 1 JKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 26272960 SMYHXVUYHYXRCN-FQIKLQBFSA-N 463.544 7.970 50 1 JKGF CO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40685649 KESSVMVGVYXMGU-VMKHFOLLSA-N 460.477 5.265 50 1 JKGF Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 169310627 MAMUEOOYZSGSGW-HSZRJFAPSA-N 484.991 5.170 50 1 JKGF O=C(CBr)Nc1ccccc1CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 169346299 AWRQOULTPSHKGX-BBVWWWHTSA-N 483.450 5.027 50 1 JKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324380 YFDSCILFJQJXIN-HVCNVCAESA-N 469.350 6.205 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(Cl)c1 587539009 TZKLIEABULRJLJ-WIYYLYMNSA-N 480.141 5.951 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587539537 WYRVDOYVNIGXKL-MXMTWJBOSA-N 489.749 5.695 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539983 ZELVRJIDEHHNEO-HFMPRLQTSA-N 469.331 5.431 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 587687969 JFQUXYIKIHROAQ-IVCQMTBJSA-N 493.892 6.914 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 587689855 XHJJVBJBWPSPTJ-IVCQMTBJSA-N 493.892 6.914 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711755 LTAHEZQQCGMNAE-XYZCENFISA-N 499.115 5.919 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@](CCCCCCCl)(c2ccccc2Cl)N1)C(F)(F)F 962775992 ZRGSXOBYDHDJJJ-RBBKRZOGSA-N 458.351 6.419 50 1 JKGF C=CCn1c(-c2ccccc2)c([C@@]2(CCl)NCCc3cnc4c(OC)cccc4c32)c2ccccc21 963059711 UAHFLJCOOGBECC-HKBQPEDESA-N 494.038 6.679 50 1 JKGF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@H](C(=O)O[Si](C)(C)C)[C@@H]1[C@@H]3C(=O)O[Si](C)(C)C 2356448509 FYBDWRRBWHRIAY-FQGAVKAWSA-N 476.762 5.337 50 1 JKGF O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1)c1cccc(Oc2ccccc2)c1 66102225 HIASCBOWQLSHQR-UHFFFAOYSA-N 499.508 5.067 50 1 JKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cccc(OCCN2CCCCC2)c1 66251540 JCBFLXAXTUPKQT-UHFFFAOYSA-N 479.452 5.479 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933830 KWOUFFHVYBGHFT-HURDLCFYSA-N 491.676 6.143 50 1 JKGF C=C[C@]1(C)CC[C@@H](Br)[C@](C)(CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]2(C)O)O1 166569558 PDQDDLBSSJBQNO-QPIKJRODSA-N 466.298 5.995 50 1 JKGF C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 255224541 KXEPOJYGPBBQJS-VRSJKSLRSA-N 472.710 6.982 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NC[C@@H](O)CNc1c2c(nc3cc(Cl)ccc13)CCCC2 299867305 QCXDJUMPSGXJCM-QZTJIDSGSA-N 494.126 5.370 50 1 JKGF COc1cc([C@H](c2ccccc2)N(CCCl)CCCl)c(O)c2c1C(=O)c1ccccc1C2=O 473085959 ZJMBBCSEKPLCNC-QHCPKHFHSA-N 484.379 5.045 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586885494 VFJKZMWOKDTLQE-WOLPVMLTSA-N 457.306 7.451 50 1 JKGF FC(F)(F)c1cc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(C(F)(F)F)c1 587109615 HNNOOGDBNPFPAS-UHFFFAOYSA-N 470.307 7.849 50 1 JKGF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587181672 ZHGPFISXVBXIRW-MRVPVSSYSA-N 492.255 6.659 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320881 HLRPXHJFGBLHBX-WPFOTENUSA-N 489.768 6.613 50 1 JKGF COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587327622 QKRSZGJIITXEMY-RSXGOPAZSA-N 485.939 5.006 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Oc3ccccc3)cc1)CC2=O 587456293 MNBQRYXYQCYLQR-VWLOTQADSA-N 467.359 6.393 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501249 WSLCYDBOXPIPRH-HMILPKGGSA-N 491.425 6.789 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587672625 GRBOHQSKYQZSMD-BTDLBPIBSA-N 454.141 5.703 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587684747 LZARDIQNQSXVPL-ZSEKCTLFSA-N 453.783 5.343 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587687721 HJVOTDGYVQAZAB-MCMMXHMISA-N 465.794 5.664 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C 587689024 ORCVZKMMAALMBM-YTEVENLXSA-N 485.825 5.220 50 1 JKGF Nc1c(C(=O)NN=Cc2ccc(Cl)cc2Cl)oc2nc(-c3ccco3)cc(-c3ccco3)c12 957589334 UGXOHZOJSMGCGI-UHFFFAOYSA-N 481.295 6.001 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1Cc1ccco1 962698291 GRMGFQQNIROXDI-BKAZIGDYSA-N 498.904 5.374 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)c3c[nH]c4ccc(Cl)cc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857589442 PGQXUTPHDCNPPI-UHBMRLSRSA-N 461.942 5.186 50 1 JKGF C[C@@H]1[C@@H]2C3=C[C@H](O)[C@@H]4[C@](C)(CC[C@@]56OO[C@@H](CC(=O)C5(C)C)[C@]46C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 2356428518 OCQVIAYBPXDENN-KWZKDDAKSA-N 470.694 6.267 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 1660607 IDWKHNRJAGCQDC-JKSUJKDBSA-N 456.554 5.999 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(/C=N/NC(=O)c3ccccc3OC)c2c1 42887351 RPNFLCMZWBDHAY-RDRPBHBLSA-N 455.558 5.959 50 1 JKGF CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587322655 HUUDUKDFIXAFMQ-NBCYMOSYSA-N 455.913 5.561 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328479 URWSGQFWMMUWQI-QVEIXBDLSA-N 495.978 5.482 50 1 JKGF CN1Cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2NC1=O 587328825 VYDSGEXXOAESPV-WIOPSUGQSA-N 466.896 5.002 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1C(F)(F)F)O2 587383347 WHLRDSYUUIFEHW-QGZVFWFLSA-N 493.117 5.614 50 1 JKGF Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587719663 QYNGRZGZDRVAMT-JEOXALJRSA-N 493.161 5.671 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2csc3ccccc23)N1 587857716 MTMRFIUEEASGPG-JEOXALJRSA-N 469.217 5.976 50 1 JKGF Cc1ccc(/C=N/NC(=O)c2cn(C3CC3)c3cc(N/N=C/c4ccc(C)cc4)c(F)cc3c2=O)cc1 1911583281 UCZQAAWCWOBPBW-IHXWQEJPSA-N 495.558 5.302 50 1 JKGF C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 20158396 RMFKBUTWFJHGHS-UXHLAJHPSA-N 455.945 5.828 50 1 JKGF O=C(N/N=C/c1cccc2c1ccn2Cc1cccc(C(F)(F)F)c1)c1ccc(O)c(Cl)c1 29126325 ZNEXIGLGMWGMLN-VFLNYLIXSA-N 471.866 5.831 50 1 JKGF CC(C)=CCC/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 95635673 QPKNTQUMMSIKLQ-YMWARTTESA-N 482.752 10.391 50 1 JKGF in-vitro FS(F)(F)(F)(F)c1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587020410 AJXQCWYHLKIRKE-UHFFFAOYSA-N 495.502 8.149 50 1 JKGF CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587087274 NRSLDCOFGNXOFB-HNNXBMFYSA-N 494.308 5.567 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325409 DZHMNYILDSPXJM-RPLLCQBOSA-N 481.951 5.908 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)C(C)(C)CCC4(C)C)[C@@H](C2)C3=O 587412973 LBEIFWLKMAAWJW-FNZWTVRRSA-N 469.419 6.082 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687920 JADVLZQCAVUPLH-UAVUOLJFSA-N 466.866 7.116 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587719887 MCXWTCOBYFYROG-RBHXEPJQSA-N 455.557 6.051 50 1 JKGF CC(C)(CCl)c1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)no1 587883256 CQWLCSVLWODPOX-UHFFFAOYSA-N 476.791 5.270 50 1 JKGF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587951297 HBHZOEGKAWHNPX-HFAKWTLXSA-N 477.337 8.029 50 1 JKGF FC(F)(F)Oc1ccccc1[C@@]1(CCCCCCCl)NCCc2cccc(-c3ccccc3)c21 962659445 GXQCWNUJKANDNO-HHHXNRCGSA-N 487.993 7.831 50 1 JKGF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587271013 WQNPRRHPHKBJPI-LBPRGKRZSA-N 487.248 6.134 50 1 JKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587673172 LAAYPTVRMHYDPD-ZSEKCTLFSA-N 493.218 5.255 50 1 JKGF COc1ccc2cc([C@@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587673234 LPWGJUWOJZXDID-MCMMXHMISA-N 493.214 5.923 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685751 RPGDBTXNDJPPFO-YEJXKQKISA-N 453.783 5.343 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2c(F)cccc2F)N1 587716968 FCVJENRSTJFPTF-HDMZQJPESA-N 477.162 5.622 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccsc3CCN2Cc2cccn2C)c(C)n1Cc1ccccc1 962397645 KMDWGTTUQUJKOC-HHHXNRCGSA-N 464.078 6.094 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(F)c(OC(F)(F)F)c1)N(C)[C@@H](C)C2 962637002 OEPBVGDNCVCXHL-FKIZINRSSA-N 492.307 5.256 50 1 JKGF CC(C=O)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356567112 HOEAACPBPFPKCY-MRETXTMBSA-N 470.694 6.723 50 1 JKGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 13779075 KNQMNBLPELATGX-UHFFFAOYSA-N 454.317 5.150 50 1 JKGF COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3c2)cc1 586973595 MAAAVQRGTLAMNR-HNNXBMFYSA-N 465.347 6.189 50 1 JKGF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587028599 TYOYMVPVBPSTBE-UHFFFAOYSA-N 485.301 7.410 50 1 JKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382615 QPMSVTGGBDGMRE-OAQYLSRUSA-N 464.534 5.918 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539984 ZELVRJIDEHHNEO-IMSXRSKXSA-N 469.331 5.431 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544829 PCNTUMQHUVJDOF-FIPFOOKPSA-N 494.971 5.719 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1 587547431 LKTRLIDDMTWVSC-RXVVDRJESA-N 479.248 5.663 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 587551038 XKYSQSBYKRQQOB-RXVVDRJESA-N 497.238 5.802 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 587688406 MGMHFZOLDGSLRE-CSTKLKAISA-N 481.837 5.978 50 1 JKGF FC(F)(F)Oc1cc(Cl)cc([C@@]2(CBr)NCCc3cccc(-c4ccccc4)c32)c1 962661700 KEQOEILCIFJQAY-JOCHJYFZSA-N 496.754 6.690 50 1 JKGF Fc1cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)ccc1CBr 962963184 WGRAMGDGLAJQNI-IBGZPJMESA-N 458.293 5.480 50 1 JKGF COc1ccc([C@@]2(CCCCCCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963135251 DQUJTMAKXQLSSW-CYFREDJKSA-N 495.041 5.441 50 1 JKGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@]3(C)CC[C@@]12CBr 2356592847 MLLBLQBCKASCLO-KVEOIYGPSA-N 462.266 5.120 50 1 JKGF O=C1[C@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 1660604 IDWKHNRJAGCQDC-CVEARBPZSA-N 456.554 5.999 50 1 JKGF ClCCN(CCCl)CCOc1cccc(Nc2c3ccccc3nc3ccccc23)c1 28373645 KSZYDUPDXZONPP-UHFFFAOYSA-N 454.401 6.290 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4ccccc4F)C(=O)O[C@@H]3[C@H]21 206972414 QAUQKOKQGOQXRR-BPHRFMKVSA-N 456.674 7.052 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)([C@@H](C)Br)N1 587672125 XZMLGYFEGASDDP-YRUZYCQGSA-N 461.600 5.803 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711753 LTAHEZQQCGMNAE-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2sccc2Br)N1 587844416 NSVFEMMWNXIQJW-GLEZIHRCSA-N 453.602 5.429 50 1 JKGF Cc1c(C)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c(C)c1CBr 587875470 UWJIKWMLCGLVAX-UHFFFAOYSA-N 481.261 6.027 50 1 JKGF CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962668813 PWBIOBBALCCUAI-HOFKKMOUSA-N 462.666 5.807 50 1 JKGF Cc1ccncc1-c1cc(C(F)(F)F)cc([C@@]2(C(C)C)C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 1772601796 YWPWYEXHUQGFAN-QHCPKHFHSA-N 453.468 5.136 50 1 JKGF O=C(N/N=C/c1ccnc2cc(Cl)ccc12)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28639410 LCCZNGNQQLQEBP-ATZGPIRCSA-N 495.026 6.668 50 1 JKGF CSc1nc(NCCc2ccccc2)c2cnn(C[C@@H](Br)c3ccccc3)c2n1 40405563 HPCOKDADORLSHM-LJQANCHMSA-N 468.424 5.339 50 1 JKGF CC1=CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(O)c(CC(=O)O)cc1O 95605220 XKOLGDSEOPITRU-KNLNXMFASA-N 451.401 5.440 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(OCc3ccc(-c4ccccc4)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308396 NGGOEYRQOXOJEE-ZZVFUPHRSA-N 463.574 5.479 50 1 JKGF CC1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@]3(C(=O)O)CC[C@]21C 255275841 WHXSEQZSHBSMSL-XENLZXDWSA-N 468.678 6.189 50 1 JKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587101205 FBNDXUNNCUXXDV-VVMYJBMMSA-N 497.230 6.371 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587530160 CYKXPSXZYHJCBQ-XMMPIXPASA-N 475.994 5.170 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539680 XJLMRNBYMNRRDO-MCVWCKRISA-N 459.723 5.686 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587969451 SWBGMWAQUGTMIM-HJWRWDBZSA-N 475.280 8.306 50 1 JKGF COc1cccc([C@@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1F 962953996 KTMSUTTYEXWNGT-NRFANRHFSA-N 488.319 5.143 50 1 JKGF Cc1cc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1-c1ccc(Br)cc1 963136103 YDHXPEVXNGJVPZ-HSZRJFAPSA-N 473.798 5.183 50 1 JKGF O=C(O)CN1CCC(Oc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 1857578196 OMXDTNRBKFIPGD-UHFFFAOYSA-N 497.632 5.099 50 1 JKGF CCC[C@H](SSC[C@H](NC(C)=O)C(=O)O)c1cc(C)ccc1/C=C/CCCC(=O)O 1857628923 IZPIIKDCVJWAGQ-IECUYZFFSA-N 453.626 5.075 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCc3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101446783 LWIFTRVERDVFFU-BNYBQHFUSA-N 450.575 6.078 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)C3c4ccccc4-c4ccccc43)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101488769 FOGRHBCBVYXUIQ-RPUOIDLUSA-N 476.569 5.550 50 1 JKGF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587202280 DRXZNPSQDNHXMQ-UHFFFAOYSA-N 462.444 6.737 50 1 JKGF COc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587320646 GCZRQJQDNQATLG-ZCYQVOJMSA-N 485.349 5.806 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587326528 LSBKCYYWUNPVAX-XRKRLSELSA-N 489.974 6.740 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327287 ORWJANHEXQEVPN-RPLLCQBOSA-N 452.953 6.712 50 1 JKGF O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543182 JUJARCMEKLOXNL-UHSQPCAPSA-N 499.950 5.865 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)no1 587546838 YCGXOFZBAHLMGB-WIOPSUGQSA-N 464.905 5.192 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 587671375 RFWGMWGUDAWKGX-SQHYZVFZSA-N 467.220 5.638 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587672915 IWQHZXTXEHTRDH-NPMXOYFQSA-N 495.274 6.809 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587687855 IXGDLGBQXXLROU-ZLOXQWCVSA-N 496.251 6.666 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(I)cc2)N1 587737730 GWUNVIGTPGKVBX-DYZYQPBXSA-N 494.573 5.209 50 1 JKGF CCn1cc(C(=O)N/N=C/c2ccc(F)cc2)c2cc(-c3nc(CN4CCCCC4)cs3)ccc21 1911570871 ZMHVDTUBXTXFLD-WKULSOCRSA-N 489.620 5.674 50 1 JKGF C=C(C=CC=C(CC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1OC)CCC=C(C)C 2356731192 FJMSYPZPFIHYMV-VYDZHMBASA-N 498.748 7.042 50 1 JKGF CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802444 ZFOBWSPROMAXAK-SQYHMDOVSA-N 459.493 6.035 50 1 JKGF O=C(N/N=C/c1ccccn1)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 197971617 YZPGNGXZFKFZOP-ZEELBVAPSA-N 476.565 5.438 50 1 JKGF C[C@]12CC[C@@H]3[C@H](CNC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 299808244 MQOUPVQZLSJCNN-LAFJJXLXSA-N 483.656 5.771 50 1 JKGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1cccc(C(F)(F)F)c1 299826953 NZOZWHRECMDGNN-UHFFFAOYSA-N 493.529 5.796 50 1 JKGF O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(-c2nc3ccccc3s2)cc1 299864126 LZZQSTVLPSPZPJ-FSJBWODESA-N 452.333 5.195 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586968595 BAKDODDKTVTOSZ-UHFFFAOYSA-N 478.424 6.291 50 1 JKGF CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](Br)C1 586985043 FJLIMGGKCJOGOR-BLLLJJGKSA-N 495.373 5.427 50 1 JKGF O=C(/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1 587244263 MWFOMKJZBTUSSB-VOTSOKGWSA-N 468.245 6.635 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 587323966 OKHYFCSWFQSOEM-CIBNZWBHSA-N 481.007 7.660 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587324302 QDPAYXBRAHRFKL-VWNXMTODSA-N 489.768 6.567 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc(Cl)sc2Cl)[C@H]1c1ccc(F)cc1 587370776 BEABPIOESFJWMN-PXNSSMCTSA-N 457.737 6.393 50 1 JKGF O=C1C[C@](CBr)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 587529683 AZMBWFIVUQVNGZ-SFHVURJKSA-N 456.199 5.645 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)(F)F)cc1 587558900 YCIFFMOJUQSWHV-RXVVDRJESA-N 495.247 5.543 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCBr)cc2)N1 587672683 HCKAKJDTYSSZGS-BLVKFPJESA-N 457.181 5.376 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587678834 DDWNDYSFNNLOOZ-SPSFWMDKSA-N 456.742 5.774 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 587689857 XHJJVBJBWPSPTJ-PUAOIOHZSA-N 493.892 6.914 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc(C)cc(Br)c1OCc1ccc(C(=O)NN)cc1 587899448 DBOKPESPPBGXSR-UHFFFAOYSA-N 499.792 5.002 50 1 JKGF CC(C)(C)[C@]1(/C(C#N)=C/c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963190885 GGKXBAMVKBJTIX-HSNGHCKHSA-N 475.592 6.387 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccc(Cl)s3)cc(C(C)C)c1)(C(C)C)C(C#N)=C(N)O2 1772620204 HTEODOOZCLPUPS-XMMPIXPASA-N 453.011 6.252 50 1 JKGF CC[C@@H]1Oc2oc(cc(=O)c2Br)CCC#CCC=CCC=CC[C@H]1Br 2356736835 TXUVKVIZMJASCN-AEFFLSMTSA-N 470.201 5.556 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)O2 587376814 YDTPIDMAOUSFOM-FQEVSTJZSA-N 482.161 5.795 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)CC2=O 587461782 SXBZOTHGFTUQEA-GDLZYMKVSA-N 489.999 6.037 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587671934 BOICPZUHHIWTSS-OYHNWAKOSA-N 496.262 5.751 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccccc3c2)N1 587674711 ZQVZFKXMVVUDBT-ASSNKEHSSA-N 463.188 5.914 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2F)([C@@H](C)Br)N1 587722669 ZNNQTTRYNJNQRR-CLFVBBPSSA-N 463.135 5.428 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587740165 XAGGFIOPKSKZKL-BMLIUANNSA-N 460.281 7.043 50 1 JKGF Oc1cc2cc([C@]3(CCl)c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cc3c2n1CCC3 962634440 HQXKAGBKSJDJPE-FREGXXQWSA-N 484.043 5.522 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 963238235 ZSGIDOZZJUZRHX-WXTAPIANSA-N 474.998 7.252 50 1 JKGF CCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c2cc(-c3nc(CN4CCCC4)cs3)ccc21 1911581282 PJRXLZLLZSBMSM-CCVNUDIWSA-N 492.048 5.798 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]12C)OO 2356616360 UNYVZURFRUMMAD-XCVRWLROSA-N 492.741 5.969 50 1 JKGF O=C(Nc1ccc(OCCN2CCCCC2)cc1)Nc1ccc(N(CCCl)CCCl)cc1 66166911 PYANKSNDRUDSLT-UHFFFAOYSA-N 479.452 5.479 50 1 JKGF CN(C)/C=C/C(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71318107 CZUUROTUBCMVAT-BQYQJAHWSA-N 464.610 5.510 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587040952 KMBMTIGIPPMCIS-UHFFFAOYSA-N 454.511 7.278 50 1 JKGF COc1c(F)cccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330791 IKZGMSYWFVFRBO-REWPJTCUSA-N 475.285 5.328 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587333520 WGLOAMOXLHKIST-RBBKRZOGSA-N 495.266 6.199 50 1 JKGF O=C1C[C@@](CBr)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 587506928 QYJJIBVABMOMPP-HXUWFJFHSA-N 468.160 5.723 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587681726 AGGBJBBKUXSIGE-OWJWWREXSA-N 496.848 5.836 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(CBr)c1F 587894460 KYRIDWFVKOBXEF-UHFFFAOYSA-N 463.561 5.391 50 1 JKGF Nc1cc(S(F)(F)(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N 587895855 XGBAZIGZQBRRSZ-UHFFFAOYSA-N 474.282 5.526 50 1 JKGF C[C@@H]1CC2=C([C@@H](c3cccs3)C(C#N)=C(N)O2)[C@@]2(C1)c1ccsc1CCN2Cc1cccn1C 962372943 KLKBXBWEPGDXKF-GRMVFTJISA-N 488.682 5.594 50 1 JKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](CCCCCl)(c1ncco1)N2C(=O)OC(C)(C)C 962701374 CIWKNRCIYHWGJU-RPBOFIJWSA-N 492.975 5.118 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1)C(F)(F)F 962730139 LXCWTWWTUIMBLP-VPUSJEBWSA-N 489.477 5.180 50 1 JKGF FC(F)(F)c1cccc2c1[C@@](CCCl)(c1ccc(C3OCCO3)s1)NCC21CCOCC1 962952070 HBYPXUKHVLVPFV-JOCHJYFZSA-N 487.971 5.336 50 1 JKGF C[C@H](CC/C=C(/C=O)CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 1857757539 AIDURBXQXUIJRK-SLAXMQODSA-N 456.711 6.320 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CCC=C(C)C[C@H](O)[C@@H]1OC1(C)C 2356455929 MDMHPISVCFYXMN-VOXZARHYSA-N 490.725 5.823 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O 40587702 KZMOSVHCAINXLS-IFYRGQQWSA-N 488.709 5.409 50 1 JKGF COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(OC)cc3)n2)cc1 45286904 BSJOXNWUKCQKLX-LQKURTRISA-N 450.498 5.164 50 1 JKGF CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 101000452 PYENPPCJTKAHBP-GPVRXJBBSA-N 456.554 5.701 50 1 JKGF C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C/CC1)CO4)C3=O 169657257 CGYXUANFCZTNCN-SYDPDMOYSA-N 477.384 5.285 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587545170 QCBTWEGOENPHTQ-DUGSBNIKSA-N 477.900 5.581 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1 587557244 QWASNJNHADPTCM-GCJKJVERSA-N 477.257 5.246 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587723297 WPEWQVJBHDQGBX-QPFGOUBPSA-N 455.557 6.051 50 1 JKGF Cc1c(-c2ccc(Cc3ccc(S(F)(F)(F)(F)F)cc3)cc2)[nH]c2cccc(F)c2c1=O 1857564106 IYFWADSGMILBOI-UHFFFAOYSA-N 469.450 7.891 50 1 JKGF COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 40380393 ATCSTSBZCZZTLM-UXHLAJHPSA-N 482.584 5.374 50 1 JKGF COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 169304512 YCWNSSLCHYTWSQ-ZXCBWOCBSA-N 478.557 5.045 50 1 JKGF CC(C)(F)[C@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587087070 LOCSKZZBOIJTLJ-SECBINFHSA-N 476.078 7.167 50 1 JKGF CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587087473 QPOQFJYZSQNRPP-OAHLLOKOSA-N 460.756 5.201 50 1 JKGF COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587327619 QKRSZGJIITXEMY-AOYPEHQESA-N 485.939 5.006 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC(F)(F)CC2)[C@@H]1c1ccc(F)cc1 587331418 JLPHCHRAWVWNAJ-KNQAVFIVSA-N 469.297 5.849 50 1 JKGF O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(F)cc2N1 587332807 KAHSCMRKVGEVQJ-UKILVPOCSA-N 469.871 5.048 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 587377017 ZUJGTJMVFZOHNH-VWNXMTODSA-N 483.358 6.395 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538089 NDVATVNYBQOOSH-ZJSXRUAMSA-N 453.332 5.768 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1 587557242 QWASNJNHADPTCM-AVRDEDQJSA-N 477.257 5.246 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccccc3c2)N1 587674712 ZQVZFKXMVVUDBT-LRTDBIEQSA-N 463.188 5.914 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 587710343 FWHTWLYZZQDXCN-HUTHGQBESA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587719785 LSIJWUUIYSWMLP-BMLIUANNSA-N 497.124 5.660 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587856012 LNQIISCNSQNPIL-ZOQWBOTESA-N 464.791 5.509 50 1 JKGF O=C(NNc1ccccc1)c1nc(Nc2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1 653742692 SARXKYAICXTUFH-UHFFFAOYSA-N 466.332 5.423 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@H](C)C2 962625686 FMRPXFZNKWYOJE-MWTRTKDXSA-N 455.948 6.252 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2ccc(F)c(Br)c2)N1Nc1ccnc2cc(Cl)ccc12 1772640431 AXQYJXLJKWRDKS-DLBZAZTESA-N 455.114 5.308 50 1 JKGF CC1=C(CCCO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C(=O)C(C(C)C)=CC1=O 1857745022 QTZSHOWUXYMALR-BMKTWLKUSA-N 488.621 5.042 50 1 JKGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@@H]2c4ccccc4-c4nc5ccccc5nc42)NC(=O)C(C#N)=C31 1857763206 RCBSZEKIDJELBW-OOWIMERYSA-N 479.543 5.324 50 1 JKGF CC(=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO 2356709909 ADDJEJWGIYLORW-PNTFMKQHSA-N 497.415 5.055 50 1 JKGF CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](OC(C)=O)[C@]21C 238780072 GMQPHYOAPGYWOA-UMNWJQNBSA-N 458.639 5.654 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587319577 CDRVZINRTNKNSQ-LADGPHEKSA-N 489.768 6.614 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587325922 HXVJNJYKFXCOKI-XCZPVHLTSA-N 474.915 6.817 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 587335935 RWGPRSDUTINGDS-SIKLNZKXSA-N 479.704 5.973 50 1 JKGF O=C1C[C@](CBr)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587497484 CLJYIAMLEBIVAF-FQEVSTJZSA-N 450.170 5.584 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(F)c(Br)c2)Oc2c1ccc1c2CCCC1 587506004 NGMDMIPJQKOXAH-HXUWFJFHSA-N 468.160 5.723 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 587670316 JSERPKZWLJAWHE-XDEPDNQISA-N 483.263 6.447 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 587716083 DIIJAZMFHGMYIX-ZEBPJJPWSA-N 495.152 5.761 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587716307 ZQARKMMQXXUBOH-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cccc(OCCN2CCCC2)c1 66251539 BUSZBTLKKUMGGU-UHFFFAOYSA-N 465.425 5.089 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933833 OWPSSBLQDKMTEO-UMALJDHNSA-N 471.601 5.486 50 1 JKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 103206960 UEZGWDQBBCJFJV-NRFANRHFSA-N 488.385 6.048 50 1 JKGF N[C@@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270552 NAEGMTHWFDTKAM-ZDUSSCGKSA-N 465.404 5.027 50 1 JKGF Cc1ccc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587319450 BTTCJXKOVYCOQH-ISKFKSNPSA-N 455.323 5.797 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1 587329709 YZKRIZIMTWNPGW-NOOLENRPSA-N 483.967 5.622 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O 587455868 HBSZTYGBDOTEQQ-GDLZYMKVSA-N 499.404 7.498 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587457253 XAUFRLOPNRJIEG-IQMFZBJNSA-N 482.415 5.091 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500989 VVHGXGUJSZDPGU-LADGPHEKSA-N 456.380 5.558 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1sccc1Br 587612585 JZYWRZMDPIMXHC-DNVCBOLYSA-N 451.725 5.312 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2O)N1 587672038 CPEHGYPIWYJUAR-VVVCHXIZSA-N 463.572 5.120 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711749 LSLFDICDVSJKIL-BTDLBPIBSA-N 481.125 5.780 50 1 JKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CCCCCl)(c3ccnc(Cl)c3)N12 962657324 BJIWQOSSGFFUHL-ZEQRLZLVSA-N 458.389 5.035 50 1 JKGF CCC[C@@]12C=C(C#N)C(=O)[C@H](C)[C@H]1CCc1c(-c3ccccc3F)nc(-c3ccnc(C4CC4)c3)nc12 1911583671 FWKSAZKIHQOSIJ-IEEYFSLBSA-N 492.598 6.491 50 1 JKGF CC(C)(C=CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3)OO 2356411003 WKQMXHFMAPGWJI-KEEXXOBTSA-N 474.726 6.920 50 1 JKGF 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](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 2356686575 KLCUUHOIEJZJNQ-STJRWGIKSA-N 498.748 7.095 50 1 JKGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45257462 VWGOFNVXZMURPY-HSZRJFAPSA-N 493.991 5.307 50 1 JKGF Fc1cccc(Cn2nnc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2Cl)c1 587160490 CREGQVXRGXBEIN-UHFFFAOYSA-N 453.799 6.320 50 1 JKGF N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cccc2ccccc12 587259160 XZPQYISWZXYRLL-INIZCTEOSA-N 492.311 7.379 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320938 HQSIBBRGWIXFAV-DFTDMARZSA-N 475.741 6.223 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)CC2=O 587467917 TXVPSQSQAIJGIQ-SANMLTNESA-N 455.957 6.050 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539240 VAQOZIPVKXBPRK-PZQJFTFDSA-N 465.343 5.521 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587545225 QELCPWNWJCVMTN-LEAFIULHSA-N 473.956 6.204 50 1 JKGF C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546045 UVLYNAJUTRMRAS-RDGATRHJSA-N 451.906 5.227 50 1 JKGF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3Br)c(CCl)[nH]c2c1 587625083 AQHOULMJSNZJNC-UHFFFAOYSA-N 456.611 7.374 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccccc3c2)N1 587672853 INQLBSFBHHDIAK-ASSNKEHSSA-N 463.188 5.914 50 1 JKGF Cc1cc(F)c([C@@]2(CCl)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1F 963863567 ZJVOLRIAJSTMLB-NSYGIPOTSA-N 479.951 5.701 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@@H](O)CC[C@]12C 2356420885 QXIPAZAGBRHLNR-FLZWTDAQSA-N 456.711 7.110 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356691387 HYJRGCBMQQQTHM-ZXYZSCNASA-N 490.725 5.584 50 1 JKGF C[n+]1ccc(Nc2ccc(C(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 38148127 OJFVOBHNKOEXSB-UHFFFAOYSA-O 479.431 5.923 50 1 JKGF COc1ccc2cc([C@@H](C)C(=O)NNC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 103190131 QVLQHVXMZZJHPD-QZTJIDSGSA-N 456.542 5.065 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)cc1 169317619 RQWDXQLIDQZPMV-CXSMSNRLSA-N 460.528 5.135 50 1 JKGF CC(C)(Cl)[C@H](Br)CC[C@](Br)(CCl)[C@@H](Cl)CBr 195509022 WABYMNUXOPLVSB-WEDXCCLWSA-N 482.309 5.922 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016843 OOGNZEFDFQJRSF-LLVKDONJSA-N 476.290 6.958 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587326255 BFGBGDRCCZDDJE-ZJSXRUAMSA-N 468.267 5.892 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC(C)C 587328949 WRLQYNSLZBONGL-AHKZPQOWSA-N 469.984 6.489 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3cccs3)c1C)CC2=O 587496459 XWSLWKYCZJWBEP-VWLOTQADSA-N 458.023 6.167 50 1 JKGF O=C1C[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 587503214 XQAUTWSCTMFZGY-CQSZACIVSA-N 492.076 5.583 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)c(F)c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c1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1 587018812 AUVYDKXNZHRMQF-UHFFFAOYSA-N 456.462 6.615 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O 587460352 MEHBYDPJDMILAA-RUZDIDTESA-N 458.385 6.505 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587683480 HJJJQRBEZRYHTN-AFMDSPMNSA-N 494.920 7.898 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccccc2F)N1 587729434 VKLVTVLEGHASOY-XNPNBVRTSA-N 459.172 5.483 50 1 JKGF O=C(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587782278 RJYHXLPHFMCRGF-UHFFFAOYSA-N 471.245 6.269 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962915723 BBFHXPKNWJODCS-LMSSTIIKSA-N 494.031 6.389 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]21C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C#N)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 963004387 CIFPSGDJSQYGHJ-ULCUKZTLSA-N 450.692 5.923 50 1 JKGF COc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772619400 QEMIMKHKUITFJX-JOCHJYFZSA-N 498.423 5.671 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356679216 KWHXMASXPBOSRE-OCBJUFRSSA-N 458.727 7.641 50 1 JKGF Cc1c(C(=O)NNCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 13474271 OBZZFGRUAYSGAD-UHFFFAOYSA-N 451.785 5.698 50 1 JKGF O=C(Nc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 27632177 NOUCBQBZTFYQQV-UHFFFAOYSA-N 451.704 5.254 50 1 JKGF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(F)(F)(F)(F)F)cc3F)c2F)cn1 224557065 XHHUULWASMDPEI-UHFFFAOYSA-N 493.448 7.508 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)cc1F)CC2=O 587464501 RPPHYNUIYZTKMP-IBGZPJMESA-N 461.249 5.758 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 587543844 LVBZWMSZKAMSFE-SHQCIBLASA-N 450.962 6.735 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688246 JZDCBLUZNKZZKY-MYYSRTQBSA-N 475.833 6.321 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 587850461 YZUPXJGLFLGGBF-FKIZINRSSA-N 496.243 5.884 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963199294 XKZKLPGJFFLKLU-YPAAYVHUSA-N 475.386 5.565 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc2cc(CO[Si](C)(C)C(C)(C)C)oc2c1 963613820 WAEBDKTVARTAAA-IVCQMTBJSA-N 468.670 5.990 50 1 JKGF O=[P@@](Nc1ccccc1)(Oc1c(F)c(F)c(F)c(F)c1F)N(CCCl)CCCl 2028048 IWBODMDHAICZHD-NDEPHWFRSA-N 463.170 5.761 50 1 JKGF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCBr)cc23)C1(C)C 14975854 OGLYPVVVWXXRJW-UHFFFAOYSA-N 490.482 6.487 50 1 JKGF C=CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802480 QGSXPBIALXIRPA-KXZZPGAFSA-N 470.516 6.806 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 64446490 NFNFVIZTHQMHJC-JVKOYPPFSA-N 477.604 7.823 50 1 JKGF CC(C)(Cl)[C@@H](Br)CC[C@@](Br)(CCl)[C@@H](Cl)CBr 195509014 WABYMNUXOPLVSB-OYNCUSHFSA-N 482.309 5.922 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 587326284 KBTDGFXKLJRCEM-ILBGXUMGSA-N 454.881 5.186 50 1 JKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554480 DLCOFVAPGASKIS-UJOSWYDYSA-N 461.258 5.311 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(I)cc1 587572909 XKZROWVXURDLDS-WIYYLYMNSA-N 492.696 5.093 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 587683260 WBXZKEKOJHZLNT-BCTVWOGZSA-N 483.006 5.416 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587685215 OLNQZSAEOJCXAB-IPQOISQHSA-N 463.778 5.211 50 1 JKGF Cc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587719547 PXXIYQHLZPANLF-MGNBDDOMSA-N 479.590 5.862 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587729908 DYYDTYNMUDUWOH-JCQPUDPBSA-N 479.796 6.151 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Br)N1 587846591 UYTHHIHMWOSOTR-GLEZIHRCSA-N 498.053 5.585 50 1 JKGF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587958310 DTQHVWHRYZTTEM-UUQHCRCUSA-N 460.666 7.021 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]12C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 963227649 JZZMHWLDZUJSMZ-CLYVBNDRSA-N 492.044 5.798 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1Cl 13675527 PPMWRRMPIHGEFC-QHCPKHFHSA-N 497.426 6.285 50 1 JKGF COc1ccc(CC[C@@H](C)CCC[C@@](CN=C=S)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 29473431 OHOGPFWBUZMESP-ZTOMLWHTSA-N 499.717 7.157 50 1 JKGF COc1ccc(-c2nc(C(=O)N/N=C/c3ccccc3Cl)cc3c4ccccc4n(C)c23)cc1 73164289 HHCGFCIZWHOCPU-MUFRIFMGSA-N 468.944 5.819 50 1 JKGF COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98084574 SFPCIGZXMBNMOL-VWLOTQADSA-N 497.551 5.495 50 1 JKGF C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc(-n2c(C)ccc2C)cc1 103238074 XDPDUXCGQXCYHS-CVKSISIWSA-N 464.780 5.974 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)CC(C#N)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103557271 YTXFWWUYCLBPKV-UQMAOPSPSA-N 493.688 6.997 50 1 JKGF in-vitro FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080225 LJNSOKJCOIMEEP-CYBMUJFWSA-N 475.664 7.312 50 1 JKGF COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587372072 DUKTWHMZWYITPR-KNQAVFIVSA-N 491.334 5.029 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)cc1)CC2=O 587455374 BDPPHHROIKFEAH-LJQANCHMSA-N 454.158 5.363 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O 587461771 STLQDQQPDUWESM-HHHXNRCGSA-N 481.976 5.638 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(CC)c1C 587544523 OAGPZDPHJMAOHU-BKMJKUGQSA-N 483.948 5.103 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Oc2ccccc2)cc1 587545290 QMULILMZYCEXTG-RPLLCQBOSA-N 458.897 6.280 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587687308 ZWIRISGSEVLZGC-DYBLOJMWSA-N 471.153 5.710 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(F)cc2)N1 587727472 BDUJDZZYNOHIMV-BUXKBTBVSA-N 459.172 5.680 50 1 JKGF Fc1ccc(CBr)c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962962308 XDJCWAVUNVWSIZ-IBGZPJMESA-N 458.293 5.480 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518867 XNJGHKPDJWENKV-NCSBTVFWSA-N 468.477 5.291 50 1 JKGF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587068750 CXMOLSKIQAQJCC-SNVBAGLBSA-N 490.723 6.921 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324742 UCQJJTVHXJGAOO-FIXSFTCYSA-N 469.306 5.114 50 1 JKGF COCCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587326302 KNDBBWPKVHQFAG-AZGAKELHSA-N 471.956 5.479 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](Cl)c1ccc(OC)cc1)CC2=O 587457745 CDTOCWZZZAMDFJ-KAYWLYCHSA-N 466.961 6.203 50 1 JKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497295 ITHMIXDSNSIQON-NSOVKSMOSA-N 462.973 6.423 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 587611348 IDEPPUCEWMHLJN-BVAGGSTKSA-N 479.985 6.016 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2Cl)N1 587723328 WZGODMIJPMSRTH-HUTHGQBESA-N 465.563 5.553 50 1 JKGF CCCC[C@H]1C(C#N)=C(C)NC2=C1[C@]1(CC(C)(C)C2)NCCc2cnc3c(OC)cccc3c21 963055644 KJXMIIQFVRCLTD-AFJIDDCJSA-N 456.634 5.866 50 1 JKGF C=C[C@@](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 2356526979 RBCZOQQEGCYPRX-LQQGSBALSA-N 458.683 6.592 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356679214 KWHXMASXPBOSRE-IDZRBWSNSA-N 458.727 7.641 50 1 JKGF C/C(=N\NC(=O)c1sc(=S)n(-c2ccccc2)c1N)c1cc2c(ccc3ccccc32)oc1=O 103291493 ZCQHLFPCBYYJEL-MZJWZYIUSA-N 486.578 5.264 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299814815 HGXHYZGOSKSNTQ-HAUCMDCVSA-N 484.721 7.429 50 1 JKGF CCOc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322023 LCMUWEJYEBKWIP-VWNXMTODSA-N 471.322 5.579 50 1 JKGF CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326490 LQHXUFIXYBROLJ-AHWVRZQESA-N 467.924 5.003 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587541617 CMODXZXHJPVOKO-SHQCIBLASA-N 494.374 6.549 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587544520 NZEGGDJADCHQPJ-TVIOGVOPSA-N 473.956 6.284 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2)N1 587673663 OZGGCKSSKJYCRW-DYZYQPBXSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587712635 PVJYPFCWTYLDNS-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](OC(=O)NN)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 1772598450 HXPUTFNVIZGAQR-GVTWKZPFSA-N 474.686 5.401 50 1 JKGF C(=C/c1ccc(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1 1857538239 DUODXKMWAGJZAX-GHVJWSGMSA-N 499.614 7.620 50 1 JKGF CC1(C)Oc2cc(C3(CCCCCBr)CCC3)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21 64539404 CYVNIVQCBPNSMZ-IPMKNSEASA-N 451.445 6.185 50 1 JKGF COc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98084014 VESIAJMNCTYTHP-RUZDIDTESA-N 481.552 5.795 50 1 JKGF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586940813 GQXKOQGETXUTDH-HJWRWDBZSA-N 453.458 5.619 50 1 JKGF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587069685 DXHVEVUFEKTRJS-IXMVKTJZSA-N 483.333 8.893 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)CC2=O 587457395 YCZQJBFKHDPWOI-MHZLTWQESA-N 485.462 6.949 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)cccc1C(F)(F)F)CC2=O 587460782 JPKNKDHIFKIENQ-IBGZPJMESA-N 461.249 5.758 50 1 JKGF COc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c(C)c1[N+](=O)[O-] 587497863 DNGLPYWVTKSKST-JOCHJYFZSA-N 494.769 5.700 50 1 JKGF CSc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609892 ARSVTESFVKMYMQ-SIKLNZKXSA-N 457.345 5.366 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673681 PHYDOGDWGZOKRH-GTJPDFRWSA-N 494.202 5.724 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)[C@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963241909 OQOJCZZRTFZUDY-WHPKCEERSA-N 477.004 5.562 50 1 JKGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(C)cc3)O2)cc1O 1772613434 WCHKAXVEGQNFGH-MUUNZHRXSA-N 473.525 5.334 50 1 JKGF CSc1nc(NCCc2ccc(Cl)cc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 43120286 JDNVJUSNBIBSPF-IBGZPJMESA-N 458.418 5.836 50 1 JKGF C=CCN1C(=O)S[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1=O 587040033 YZEAGZQVAFKBIT-JTQLQIEISA-N 492.289 5.775 50 1 JKGF CC[C@H](Oc1ccccc1F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587155538 LZVKJNPEPRJVCA-ZDUSSCGKSA-N 475.252 7.652 50 1 JKGF CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320300 FGSBJUCYMOMCPC-UPVQGACJSA-N 484.321 5.139 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 587722512 SBFLJIWKHWLTTG-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587855055 TWYFJGYESBNDFQ-BIBXISHDSA-N 468.823 5.469 50 1 JKGF CSc1ccc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1 587924797 JUNPNRKCXCALGT-XDHOZWIPSA-N 462.684 7.897 50 1 JKGF COc1ccc([C@]2(CCCCCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963150707 SAQNTWHJWNWTLO-FDDCHVKYSA-N 481.014 5.051 50 1 JKGF CSc1cc([C@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)ccc1NC(C)=O 963194004 MULBLRNBGZNDOP-AHKZPQOWSA-N 476.045 5.972 50 1 JKGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CCCCCCl)(c2ccc(C(F)(F)F)cc2)N1 963238736 WFPUUQGEOOQTBR-ISKFKSNPSA-N 476.926 5.895 50 1 JKGF O=C(NNCCCN1CCC(N2c3ccccc3Sc3ccc(Cl)cc32)CC1)c1ccncc1 1857757770 OFVCMKJWCUZHJX-UHFFFAOYSA-N 494.064 5.127 50 1 JKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 34802486 HBSAMLCXJDHQEJ-ABDBUPHLSA-N 492.384 5.004 50 1 JKGF C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 40951799 CFBBUWFXWSYJHB-HEYXRKOXSA-N 454.695 6.837 50 1 JKGF CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 49068079 WZPGEXOTYOVAPL-ZWTRZYDUSA-N 456.590 5.948 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325428 FMJYPELEWVDORE-HOFKKMOUSA-N 481.951 6.009 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 587543810 LLGPTNVQPFLRCB-GGXMVOPNSA-N 492.015 6.797 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587544512 NZEGGDJADCHQPJ-ATVOGRQSSA-N 473.956 6.284 50 1 JKGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1 653765590 GPZSSJQNVNBLIR-CCVNUDIWSA-N 464.312 5.095 50 1 JKGF COc1cc2c(cc1OC)[C@](CCCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@H](C)C2 962638672 XGAYTNCGRSVWTR-OSPHWJPCSA-N 469.975 6.642 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cc(F)ccc1F)[C@@H](Br)CCCl 963225739 FXECMLSVQJZGLH-KBJGYGKASA-N 456.802 6.257 50 1 JKGF Cc1cccc([C@]2(CBr)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963841116 HLWDQFAVBFEVTF-CJFMBICVSA-N 488.422 5.578 50 1 JKGF C(/C=C/c1ccccc1)=N/c1ccc(SSc2ccc(/N=C\C=C\c3ccccc3)cc2)cc1 16958797 UTZIQCCOURHJMP-CTWHSODTSA-N 476.670 9.317 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc2c(c1)Cc1ccccc1-2 95809028 LQKIRFGVOWUDED-VUTHCHCSSA-N 455.558 5.393 50 1 JKGF C[C@H](C#N)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587187296 FUVPPYFYMQBOPB-SECBINFHSA-N 452.246 7.277 50 1 JKGF Cc1ccc(/C=C(/C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587187804 KXTGLSSZSJZEBX-SDQBBNPISA-N 464.257 7.355 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587321036 BZQCJSNZDSTUDP-FVOQVYQESA-N 493.918 6.118 50 1 JKGF CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587322656 HUUDUKDFIXAFMQ-UNGHYCQRSA-N 455.913 5.561 50 1 JKGF O=C1C[C@](CBr)(c2ccc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 587531900 NJDUAWKVVARYMJ-QHCPKHFHSA-N 454.389 5.945 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 587545769 PKJHIMFPGMTGEE-YWEHKCAJSA-N 468.892 5.581 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962626572 BWORVUMUAIFTOH-NBTVYNQOSA-N 459.077 6.602 50 1 JKGF CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962668844 PWBIOBBALCCUAI-YIXXDRMTSA-N 462.666 5.807 50 1 JKGF CCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(C)C)CO[P@@](C)(=O)F 1857603079 KAMDIPZCMWRTLU-QUWZIRPCSA-N 464.599 7.780 50 1 JKGF COC[C@H](CO)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCC(Cl)Cl 2356326212 VKISHKUYLSSBSY-SFTDATJTSA-N 486.952 6.491 50 1 JKGF O=C(Nc1ccc(OCCN2CCCC2)cc1)Nc1ccc(N(CCCl)CCCl)cc1 66166508 AKZWEPLALKSPGC-UHFFFAOYSA-N 465.425 5.089 50 1 JKGF CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118921741 NUVDETAVXDNNIF-IXAIYCPLSA-N 452.639 6.203 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586983986 BIUVBHCZKJXXSD-KRWDZBQOSA-N 482.316 7.168 50 1 JKGF O=[N+]([O-])c1cccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587270894 WDSNGTOMLKJDFM-UHFFFAOYSA-N 472.233 6.676 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323770 TZKAHFPLTBEXMB-SOPLCPCWSA-N 459.355 5.850 50 1 JKGF C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325859 HCBPINFANBDPQD-AOYPEHQESA-N 467.924 5.763 50 1 JKGF CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587325925 HXWAPRJJKYPEOB-OAQYLSRUSA-N 459.945 5.047 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587423942 LUOBQJMEJHDMKG-ZXKWBQDJSA-N 487.930 5.974 50 1 JKGF C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543125 JDVGGFVISMYWCO-RDGATRHJSA-N 451.906 5.227 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 587719393 LEJZVHYABMYNDS-CXNNERTKSA-N 481.125 5.567 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587967984 QWYJSHYNCDRVRI-UHFFFAOYSA-N 469.317 7.822 50 1 JKGF C[C@]1(c2cccc3nc(CCl)oc23)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962951009 FMJKYDFHQCHELM-OAQYLSRUSA-N 450.888 5.500 50 1 JKGF O=C1c2ccccc2[C@]2(c3cc(CBr)ccc31)c1c(F)cccc1C[C@H]1CCCN12 963113310 SYKLIBDIIKEYRB-DWXRJYCRSA-N 462.362 5.577 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O 2356733701 PIOYBULRRJNPSG-VOOBWTCMSA-N 454.695 6.837 50 1 JKGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1 45353411 XVUAIZLAHGBGTO-XODNFHPESA-N 475.902 5.636 50 1 JKGF COC(=O)c1ccc(C#C[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 64700479 WTVGFQYPMZWXAL-MUUNZHRXSA-N 465.489 5.085 50 1 JKGF COc1ccc(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324482 ZOJMNUJZMGZQCP-LADGPHEKSA-N 471.322 5.498 50 1 JKGF C[C@@]1([C@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507191 UUUIXECKRVOEGU-KNQAVFIVSA-N 451.763 6.088 50 1 JKGF O=C(Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 587547267 ZMOSBHRMJHGTGL-YWEHKCAJSA-N 485.923 5.740 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)c2ccccc2)N1 587672951 JCDMVFNYRSSWJP-RBZFPXEDSA-N 455.209 5.690 50 1 JKGF CCCCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CBr 587874765 GDNXTTOSYXPGPQ-UHFFFAOYSA-N 497.260 6.168 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@H]4[C@@]5(C)[C@@H]6CC(=O)C(C)(C)[C@@]5(C[C@@H](O)[C@@]43C)OO6)[C@H]12 2356388835 UBKYFSBPSQKPIB-FKWNSDKOSA-N 486.693 5.238 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CCC=C(C)C[C@H](O)[C@H]1OC1(C)C 2356455926 MDMHPISVCFYXMN-BTLFQFMLSA-N 490.725 5.823 50 1 JKGF CCOC(=O)[C@H]1C(/C=C(\O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802406 LREMCCGOSRYIOI-VFRRKDQGSA-N 454.448 5.820 50 1 JKGF CCCCCCCCCCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299829222 ZLNNOHVULMPECV-UHFFFAOYSA-N 489.704 6.994 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cccc(C(N)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054552 GCWQMVQTGWOSSB-XNTDXEJSSA-N 450.329 5.440 50 1 JKGF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 587071839 QPVYXHTUFLQBTH-MRXNPFEDSA-N 497.917 7.682 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080236 LJNSOKJCOIMEEP-ZDUSSCGKSA-N 475.664 7.312 50 1 JKGF COc1cccc(-c2cc(-c3ccc(NC(=O)[C@H](C)Cl)cc3)nc3c2oc2ccccc23)c1 587359672 ZVRDSMXUKCFCIC-INIZCTEOSA-N 456.929 6.889 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc(Cl)sc2Cl)[C@@H]1c1ccc(F)cc1 587370779 BEABPIOESFJWMN-YLJYHZDGSA-N 457.737 6.393 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cnc(N3CCCCC3)s2)[C@@H]1c1ccc(F)cc1 587377181 QTIBEFTZIYFWQK-ZJSXRUAMSA-N 472.969 5.471 50 1 JKGF O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499425 STMPAYIPRFLHNY-MUUNZHRXSA-N 459.973 6.042 50 1 JKGF N#CSC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609473 VXTXTTSPAWXNRL-UGKGYDQZSA-N 468.328 5.226 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)s1 587611148 FQCBOSAHTOIKLC-LPHOPBHVSA-N 451.725 5.359 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671987 CDQAHKICHVRCNX-WLRWDXFRSA-N 491.626 5.731 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCCBr)N1 587674571 XOVTZCLMGFCPAI-CWTRNNRKSA-N 457.181 5.160 50 1 JKGF C[C@H](Cl)[C@]1(/C=C2/N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587688663 MYCWCCYEVOXJKC-PDGRSRKJSA-N 477.849 6.257 50 1 JKGF N#Cc1ccc([C@@]2(CCCCCCCl)c3ccsc3CCN2Cc2cccnc2)cc1 962997739 TWGCZXQKLMVNAL-SANMLTNESA-N 450.051 6.506 50 1 JKGF CCN(CCCl)c1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963186407 KUPVIYJKVABYID-RBUKOAKNSA-N 461.311 5.112 50 1 JKGF COc1ccc(-c2nc(SC(F)(F)[C@H](F)Br)[nH]c2-c2ccc(OC)cc2)cc1 28220230 MRWZBCIIRHRSTA-KRWDZBQOSA-N 473.314 6.136 50 1 JKGF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc12 587037986 ONCNFQRLGOLGKM-VIFPVBQESA-N 465.473 5.968 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070660 YYGABLNAOUORGI-JXAWBTAJSA-N 484.921 9.047 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 587320293 FFDMWNQSKRGYPI-RSXGOPAZSA-N 481.361 6.059 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 587544821 PBMGRHUDJBPTRF-LBNVMWSVSA-N 473.956 5.955 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587681800 AWDCROZMNBQDMB-OZAJXLCCSA-N 470.769 5.698 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587687265 ZMPCBUBQYKUFIV-WNSKOXEYSA-N 460.774 6.397 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587737461 FKMNIDYCMCTXAB-QGHHPUGFSA-N 460.281 7.043 50 1 JKGF O=C(Nc1cc(Cl)ccc1Cl)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621431815 OQCOQLFPHFQFMM-IKKMQRSDSA-N 468.377 6.312 50 1 JKGF Cc1cccc([C@@]2([C@@H](C)Br)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961778788 SEBWDZJIMFWSSY-DWXRJYCRSA-N 485.466 6.173 50 1 JKGF Cc1ccc(CCNc2c(C(=O)OC(C)C)cnc3c2cnn3C[C@H](Cl)c2ccccc2)cc1 13675520 YSKPNHYKNAVNFS-DEOSSOPVSA-N 477.008 5.940 50 1 JKGF CSC[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 43871819 DULSNRKMESAJMW-KRWDZBQOSA-N 496.268 5.775 50 1 JKGF C[C@H]1C[C@@H]1[C@H](C)C[C@@H](O)[C@](O)(CCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 49878751 IDJFQGHMTPJXRG-ABQXLVMOSA-N 495.144 5.198 50 1 JKGF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)c5ccc(CBr)cc5)[nH]c4c3)o2)cc1 586973552 LKEJIELNTZWUHN-HNNXBMFYSA-N 489.373 6.335 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2)[C@H]1c1ccc(F)cc1 587329147 KQDPYGFKPXIFBF-REWPJTCUSA-N 493.275 5.782 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496358 CMEGGSWGYXRGLO-OFJJUDJNSA-N 485.967 5.585 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 587543596 COMRFQQAGYDQBM-WIYYLYMNSA-N 497.238 5.802 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686907 YBRIPNYBZWPVJN-BCHFMIIMSA-N 494.920 7.898 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1NC(=O)CCl 587900449 PXTJJGRTEZPBHB-UHFFFAOYSA-N 491.994 5.451 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962564783 HLVYOEJLQZCPHW-CWTRNNRKSA-N 453.473 6.336 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(c1ccc(F)cc1F)[C@@H](C)Cl 963833280 UCABYFODHQTNJZ-LNJIKXCHSA-N 479.951 5.781 50 1 JKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1ccc(Cl)cc1Cl 1772607471 MYQITXDXEDNHFB-XODNFHPESA-N 469.759 6.703 50 1 JKGF COC(=CC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C[C@H](C)C(Cl)Cl 2356870182 XOEPHLACOYECHC-JBLDHEPKSA-N 482.688 6.057 50 1 JKGF O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN/C=C1\C=Nc2ccccc21 38178403 VPEKUYXWBFXMAQ-OBGWFSINSA-N 486.988 5.058 50 3 JKGF COc1ccc(N(C(=O)[C@@H](C)Cl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 66128872 ZCIKDMRJHJYGNA-ZHRRBRCNSA-N 491.440 5.471 50 1 JKGF C=C(C)C(=O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 144301608 YAMAETJPGJWVHQ-PNKDXEPVSA-N 495.399 5.261 50 1 JKGF CC1=CC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 170113631 LOQZXJRMCXAAID-UWJYYQICSA-N 484.494 7.060 50 1 JKGF Cc1ccc([C@@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1C 473082024 FHZJFKJUZSGYRT-DEOSSOPVSA-N 498.406 5.359 50 1 JKGF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586971961 CJPJBXHYMAQCME-KRWDZBQOSA-N 451.486 6.331 50 1 JKGF Cc1onc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080265 SQGDPASLFVNYGH-UHFFFAOYSA-N 484.794 5.990 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587319433 BENJVBNDVMAFKT-FKIJXQQXSA-N 489.768 6.531 50 1 JKGF CSc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587377618 SIRBCJYQVTYQJK-GGAORHGYSA-N 473.363 5.903 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541720 DFPYGKPQQGBWQP-ZYBREQRGSA-N 455.938 5.114 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587547195 ZHXGTUWUKLYZTG-QDPGVEIFSA-N 482.875 5.221 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl 587558669 SUCDJSFWMVXVKS-DENIHFKCSA-N 477.713 5.745 50 1 JKGF N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609386 VHNHVMJLMZTOAB-SIKLNZKXSA-N 458.322 5.770 50 1 JKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615739 XROHYGJIDVLOOB-WTSFKKHRSA-N 488.952 5.762 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962564763 HLVYOEJLQZCPHW-BLVKFPJESA-N 453.473 6.336 50 1 JKGF Cc1[nH]c2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c(C(C)C)cc(/C=C/C(=O)c3cccs3)cc21 1857629480 ZLYDNSQUVCLQRU-JZILDOMLSA-N 479.605 6.776 50 1 JKGF CC(C)=CC[C@H](C)C=CC[C@H](O)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356424050 PAQLRHWWLDIBHD-VLYBHXKQSA-N 474.726 6.468 50 1 JKGF CCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)OCCCl)cc1 43422731 NWTRHOJEACKORN-DYTRJAOYSA-N 451.091 8.342 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100780098 CASWDFLWXWLZCX-ZBWUAFSASA-N 480.985 5.471 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](C#N)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 102999763 XHCQQXDIZNDAGY-JIGCFXDGSA-N 478.383 5.238 50 1 JKGF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587069649 DXHVEVUFEKTRJS-FOFINAFOSA-N 483.333 8.893 50 1 JKGF O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322064 LIMLQPUPQGCPRN-ODGPQVTHSA-N 485.305 5.024 50 1 JKGF C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322392 MAAFLCJFLQOEQZ-UPVQGACJSA-N 484.321 5.139 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@@H]1c1ccc(F)cc1 587328962 WROUPYCIPDNPJY-SHQCIBLASA-N 477.919 5.631 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Cl)ccc(Br)c1F)O2 587380653 BGWSAOXPJADRGH-QGZVFWFLSA-N 477.555 5.388 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N(CC)CC)CC2=O 587465426 CQKHOLWCIRGBIA-LJHMRTFOSA-N 470.972 5.703 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587682669 NBGLULWXEDSKJZ-MCFWBGNESA-N 484.752 5.338 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587688206 JRDRKXVVHFFNMO-VNAOBRGMSA-N 475.833 6.401 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(F)c1C(=O)CBr 587894608 QWRZULZHOZLHSB-UHFFFAOYSA-N 491.571 5.074 50 1 JKGF CC(=O)Oc1cccc([C@@]2(CCCCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c1 963197220 YRMATSBVKKZLHV-IZLXSDGUSA-N 458.989 5.997 50 1 JKGF Nc1ncnc2[nH]c(-c3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc12 8034774 GJZPZDIRYQLPCG-UHFFFAOYSA-N 486.539 5.096 50 1 JKGF Cc1c(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc(OCc2ccc(C(C)C)cc2)c1C 13439056 ASGOMALKAXVFRD-CCVNUDIWSA-N 450.966 6.129 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C=N/NC(=O)c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 118921377 OIUFDODUDVNCEN-UUSHJFFASA-N 463.622 5.308 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057699 UENIENPULOANGE-OQLLNIDSSA-N 487.368 5.588 50 1 JKGF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263464 MXVUAZAXPWFGAU-QNSHHTMESA-N 492.264 5.643 50 1 JKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587498369 NLOLWCHILZTBJH-MUUNZHRXSA-N 477.988 5.859 50 1 JKGF CN(C)/C=C(\C#N)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506334 XDKCONATEJMFHD-VUNQTZOZSA-N 451.364 5.158 50 1 JKGF O=C1C[C@](CBr)(c2c(F)ccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587508970 URTUYGWAGXPZSZ-FQEVSTJZSA-N 458.154 6.267 50 1 JKGF N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609382 VHNHVMJLMZTOAB-DENIHFKCSA-N 458.322 5.770 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587674567 XOEIAVKFEILIIB-SPLOXXLWSA-N 469.236 5.959 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587687262 ZMPCBUBQYKUFIV-NPMXOYFQSA-N 460.774 6.397 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587689402 SADWMMFTOQMJQK-FIKIJFGZSA-N 466.782 5.309 50 1 JKGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 1772655959 BKWGBOHRIXIHPW-FSJBWODESA-N 469.979 5.438 50 1 JKGF CN(CC#Cc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@@H]23)cc1)C(=O)CCl 13557700 PACNIOVMLSCHFH-KRKMKJCFSA-N 492.059 5.052 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl 299856827 CGDYDLXCPVNCDF-GCZOIYMFSA-N 481.445 6.646 50 1 JKGF CCCCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973371 IUVWYZIWYZVQQR-CYBMUJFWSA-N 466.217 6.551 50 1 JKGF COc1ccc2nc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)sc2c1 587034924 JTOHIQNGTHYVOW-UHFFFAOYSA-N 486.285 7.268 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325750 HAJYJPTZMBIORW-JRWZBITLSA-N 471.956 5.650 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@H](C)Cl)CC2=O 587461136 XJMUXUBMVPVFQZ-MRDQGFSESA-N 472.412 6.894 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 587542298 GLDNKSRCYDQWFJ-QJGUAIBQSA-N 464.989 7.123 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587544534 OAYPGQNTKSLVML-BVAGGSTKSA-N 463.917 5.548 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711754 LTAHEZQQCGMNAE-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(CBr)ccc2ccccc12 587874579 CAVVRTUINUJYOS-UHFFFAOYSA-N 461.186 5.752 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccccc1Br 962374882 MSRVRRXOIPKFNP-FQEVSTJZSA-N 480.269 5.546 50 1 JKGF 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)OO4 2356534036 VVDFOIZUJIWFEH-YMJSHPDHSA-N 470.694 7.044 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)[C@@H](C)Cl 35246476 GNLMRVPBBDXJBL-CJAUYULYSA-N 484.427 5.823 50 1 JKGF in-vivo CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)CCCC[C@H]2CCSS2)c1-3 299807591 JCKSBFDVTFRZJP-GMAHTHKFSA-N 467.700 6.838 50 1 JKGF COc1ccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(F)c2)c(F)c1 587149727 AIDBBVWHGOUARH-UHFFFAOYSA-N 462.390 7.841 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)O2 587373162 QFRXWNDRNYWFKS-RUZDIDTESA-N 457.401 5.991 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N(CC)CC)CC2=O 587465433 CQKHOLWCIRGBIA-LMQQTYEVSA-N 470.972 5.703 50 1 JKGF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCCl 587541314 AUAFSBFTZHROOE-WIOPSUGQSA-N 454.906 5.286 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1F 587545731 HJKZIAYTMCHPHR-UTKZUKDTSA-N 497.238 5.802 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1C(F)(F)F 587550103 STKHAIZWYADVCD-WIYYLYMNSA-N 497.238 5.802 50 1 JKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)NCCc4cccc(-c5ccccc5)c43)c2C)cc1 962673166 ZWASJFGOPDHBQP-WJOKGBTCSA-N 485.071 6.651 50 1 JKGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2cc3ccccc3s2)N1 962968611 CXNQXMMLIIIWIK-DJJJIMSYSA-N 472.738 5.070 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447645 JMRSKSDTQRQDGN-RLGYRFERSA-N 488.531 5.964 50 1 JKGF C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)COC(=O)CBr 87613199 HZDZLOAWXHMZSL-QEMMCALDSA-N 451.445 5.731 50 1 JKGF CCO/C(O)=C/C1=N[C@]2(CCC1)CCC[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195093850 AFJSJJQOJUISJH-WUILFJRESA-N 491.748 6.163 50 1 JKGF C[C@@H]1CCc2sc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2C1 587032840 BPNORHXMJNAWJY-MRVPVSSYSA-N 473.330 7.836 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058318 YFASINUKBDHPAZ-GDNBJRDFSA-N 486.200 7.104 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325245 CZMBPELVGGSPRP-SQJMNOBHSA-N 471.912 5.146 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1 587537563 HRUCMJZPKVXBRS-GHTZIAJQSA-N 490.147 5.407 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 587611350 IDEPPUCEWMHLJN-JYFHCDHNSA-N 479.985 6.016 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 587670988 NFXDYRMFMMHIED-ZSMADZGOSA-N 496.218 5.347 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 587672964 JFYOFTOMNJWPEK-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587689220 QXXMHXCPAMSNDX-SZWQSWPASA-N 489.212 5.526 50 1 JKGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 962646134 WQCDPBDXCHQCDF-PAJRKTROSA-N 457.920 5.225 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCl)(c2nc3ccccc3s2)N1 963172054 CIYARKQYUDAXHR-KSSFIOAISA-N 461.292 5.050 50 1 JKGF CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@@]3(C)O)[C@@](C)(OO)C2)C1=O 2356445419 AWDUWDVISOBEPH-SWPHERFASA-N 488.621 5.044 50 1 JKGF CN1CC[C@@]23Cc4cc(Cl)ccc4N=C2N(C)C[C@H](Cl)[C@]32C1=Nc1ccc(Cl)cc12 2356808017 YJLJASXTVIZPFC-WWPVKYPJSA-N 459.808 5.436 50 1 JKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](I)[C@@H]1CCC(=O)O1 28337142 XAUVUVPAWZOGHZ-SNCLRWGNSA-N 468.419 7.027 50 1 JKGF O=P(NCc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1ccccc1)c1ccccc1 95596686 BFJXIEWOFRIOQH-UHFFFAOYSA-N 453.309 6.074 50 1 JKGF C=C(C)[C@@H](OO)[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255281752 XSBBXSMODSRERW-MSZKPETMSA-N 474.726 6.608 50 1 JKGF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586931800 KNDQCTMTGXNCHS-UHFFFAOYSA-N 457.446 5.050 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586973121 FOIUMQWGNXWWAN-VIFPVBQESA-N 462.107 6.391 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057634 VVPGNMJVYIHMST-ZHZULCJRSA-N 499.401 8.134 50 1 JKGF Cc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 587501254 WTHDUJMPXYVXQS-DEOSSOPVSA-N 451.364 5.315 50 1 JKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587544706 OVQLMHLUTXWWHR-LBNVMWSVSA-N 489.955 5.904 50 1 JKGF O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545911 SOFTXPBADBCISJ-LEAFIULHSA-N 485.923 5.475 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 587672093 CVXVHBFXJTXMNK-ZSEKCTLFSA-N 467.220 5.640 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587841625 BQIUQAIELNMHIU-WNSKOXEYSA-N 453.380 6.149 50 1 JKGF N#C/C(=C/c1ccccc1Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885147 WXWRQDLLMHZRIB-HMAPJEAMSA-N 479.794 6.421 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c(C(F)(F)F)c1 587893334 ZOWILGZYLQGYDO-UHFFFAOYSA-N 479.123 5.618 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 962375317 RZEBJWNPICZDHB-AREMUKBSSA-N 478.017 6.203 50 1 JKGF Clc1cc(Cl)c2c(c1)[C@@](CBr)(c1ccc(I)cc1)NCC2 963100469 BBHJCQLMKHSGKH-MRXNPFEDSA-N 497.001 5.382 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cccc(C#N)c1)C(Br)Br 963229617 OJKCPPYOFCTIBZ-BTYIYWSLSA-N 462.229 5.574 50 1 JKGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](Cl)C[C@H]2Cl)[C@@H]1Cl 2356419391 QMDYPTUSBYRIAW-NOSVAZHHSA-N 497.482 5.361 50 1 JKGF C=C(C)[C@H](OO)[C@@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356455625 BEXKXFSUDVVSFA-QAGQZSDTSA-N 460.699 6.218 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3=O 2356733698 PIOYBULRRJNPSG-BHYXGAGOSA-N 454.695 6.837 50 1 JKGF Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2)c1C#N 96933502 QHLDEQIQJPJJJX-UIOOFZCWSA-N 489.966 6.167 50 1 JKGF O=[S@](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 586959609 KKVHBVJXNFNGCT-SSEXGKCCSA-N 472.504 7.259 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036680 JLPJNUFNUARJGO-CYBMUJFWSA-N 477.343 7.423 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@H]1c1ccc(F)cc1 587329320 XSXZZASYPLEZIS-UPVQGACJSA-N 472.299 5.865 50 1 JKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587537369 DLXIHVFCZORURF-WIOPSUGQSA-N 491.341 5.138 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587681801 AWDCROZMNBQDMB-RKNYENMMSA-N 470.769 5.698 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2)N1 587684106 VVKVOCZPTWANNI-BBATYDOGSA-N 461.600 5.757 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587685300 PMVGCPIUOWZDPH-UGZDLDLSSA-N 458.158 5.445 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cc(F)cc2F)N1 587722513 SBFLJIWKHWLTTG-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF C[C@H](Cl)C[C@@H](Cl)[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833528 WNUOZYIBLYMHEZ-QBLOJZIGSA-N 479.451 6.761 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1CCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356761617 RQLMZJMQAUSPIT-XGPOCZNESA-N 472.754 7.577 50 1 JKGF COc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1 1637752 AVSKNWGVQREKEE-UHFFFAOYSA-N 483.405 8.109 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(F)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439085 CEMWFAKZKSWOAF-CCVNUDIWSA-N 466.509 5.015 50 1 JKGF CC(C)C1=C[C@H]2OC3(CCC(NCCNc4ccnc5cc(Cl)ccc45)CC3)OO[C@H]2CC1 49878058 VHOQQEYWTRNHBM-WGUWSQJSSA-N 472.029 5.620 50 1 JKGF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2CCCCc1ccc(N=C=S)cc1 136722132 MIAOJBAWGZZMRM-NDBXHCKUSA-N 469.050 6.207 50 1 JKGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 169328945 CFAGZVWUNVZOHJ-GCFVYEKYSA-N 460.639 6.352 50 1 JKGF Cc1ccc(-c2cnc(Cl)c(Cn3cc(/C=N/NC(=O)c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 299863960 QOYJPYPYNBXHOM-PNQUVVCRSA-N 498.896 5.133 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 587325289 DHTNEOCRQIXRMT-ILBGXUMGSA-N 466.896 5.420 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329259 CPNLAXMUAFFHHQ-VKCVVMHYSA-N 459.286 5.708 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)O2 587371766 MRRFCCXNZZLCAQ-QHCPKHFHSA-N 473.798 5.847 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 587498652 ISWAXQOPPXDWSZ-LFPIHBKWSA-N 454.364 5.407 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 587543346 KIFOHFMBZUYBML-JYFHCDHNSA-N 460.917 5.291 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 587671322 QVDKHOOQYGXPSD-AYWWYZEGSA-N 485.279 6.318 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587674042 SFNZMNLZJKRKIF-QPFGOUBPSA-N 497.033 5.650 50 1 JKGF N#C/C(=C/c1cccc2ccccc12)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884209 IHINWPPMTMXBCC-ONUIUJJFSA-N 495.409 6.921 50 1 JKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(F)c(C)cc1F)N(C(=O)c1ccccc1N)CC2 963152916 IWKSCRWHBOEPFS-SANMLTNESA-N 486.946 5.054 50 1 JKGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4cccc(Br)c4)cc3)[nH]c2cc1C 1857590981 PSFPMWYBERJACW-UHFFFAOYSA-N 494.418 5.241 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C 2356447760 CQYCAQYQKRBNHY-JTUOTVDWSA-N 452.679 6.613 50 1 JKGF CCN(CC)CCC(=O)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 222651783 SYSJAUOGPOZPOJ-UHFFFAOYSA-N 494.467 5.285 50 1 JKGF C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322390 MAAFLCJFLQOEQZ-LADGPHEKSA-N 484.321 5.139 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(SC#N)c2c1 587621587 WJXORQWOPOIBDD-UHFFFAOYSA-N 498.517 5.265 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587687311 ZWIRISGSEVLZGC-NIVTXAMTSA-N 471.153 5.710 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587688908 OISHIEQJEDSGSH-MCMMXHMISA-N 467.810 5.488 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781595 XKMGDGZMFAPCAP-DAXSKMNVSA-N 469.273 7.213 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 587852083 JYXWISOWSNKUPG-XEUCDGFVSA-N 496.858 5.688 50 1 JKGF Fc1cccc(F)c1[C@@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953905 KJRUKMFKTKSFMO-FQEVSTJZSA-N 476.283 5.274 50 1 JKGF Fc1ccc([C@@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)c(Br)c1F 963107334 MHQOGQPYUPZDOT-MRXNPFEDSA-N 485.981 5.818 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 1857636219 QFMLBJPCQONEAF-JWWFTRONSA-N 486.693 5.241 50 1 JKGF C[C@@H]1[C@@H]2C3=C[C@H](O)[C@H]4[C@@]5(C)[C@@H]6CC(=O)C(C)(C)[C@@]5(C[C@@H](O)[C@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C)OO6 2356388836 UBKYFSBPSQKPIB-JIIPSGGVSA-N 486.693 5.238 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518869 XNJGHKPDJWENKV-UNODNZEWSA-N 468.477 5.291 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)CC2=O 587458359 ARZCPTZQENFQOL-LJAQVGFWSA-N 480.048 7.149 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O 587460819 PMXOLKFECJUGBZ-CLJLJLNGSA-N 490.427 5.869 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587498905 JYOMNHNDDDSHRU-JBEBIEQOSA-N 454.364 5.094 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587685201 OELLEEINNQJHMW-ZQWRNJAYSA-N 477.846 5.496 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 587686970 FAHNXJQBVSKIJW-PRWKNARSSA-N 452.755 5.000 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 587688741 NTFIAASQSDCJLZ-RJBYIMOVSA-N 483.812 6.827 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587712648 PYQJMLIDEWWSCR-DDBGAENHSA-N 495.152 6.168 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Br)c(F)c2)N1 587725347 PVRAGJASNAYEBI-XYZCENFISA-N 465.563 5.506 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(S(F)(F)(F)(F)F)cc3)N12 962662791 ISANWDQKDFJXEI-WIYYLYMNSA-N 458.452 6.080 50 1 JKGF Fc1cccc2c1[C@@](CBr)(c1ccc(Br)c(F)c1F)N1CCC[C@@H]1C2 963108736 YBCCOEIWFQYPAX-CWTRNNRKSA-N 475.146 5.525 50 1 JKGF C=C1[C@@H](C)[C@@H]2[C@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(C)C[C@H]1OO 2356510836 NOPDNDHQMGCGJR-KNMDQDJFSA-N 474.726 6.464 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N/NC(=O)c3ccc(Cl)cc3)c2c1 45498026 CQCODZGGVFMBSP-KPGMTVGESA-N 497.948 7.614 50 1 JKGF CCOCCOSN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103214440 LEKWUGPMXQBUCT-UHFFFAOYSA-N 472.651 5.780 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587039202 AZSLLDIUVBITEP-UHFFFAOYSA-N 459.263 6.283 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325049 WJLWKXPHTLJUPJ-LBNVMWSVSA-N 470.883 6.193 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2=O 587461179 QHUSFMXIEWLCPU-NDEPHWFRSA-N 466.021 6.975 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)cc2)N1 587680100 NYIVBHLVQSJCBJ-BLVKFPJESA-N 475.627 6.148 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587684901 MVBZXGSPZNYTGV-YEBMWUKDSA-N 470.769 5.698 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@]23c2ccsc2CCN3C(N)=O)N1 962703615 DLZCIBZXHOBKSZ-NVQXNPDNSA-N 462.594 5.278 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCCCCCl)c1cccc(Br)c1 963579269 HSEMRVIXZHUFBV-QMHKHESXSA-N 466.847 6.043 50 1 JKGF CC1=CCC(=C(C)C)C[C@@]2(O)C(=O)c3cc(cc(O)c3C(=O)[C@@]2(C)Cl)OC(C)(C)[C@@H](Cl)CC1 2356716502 OGKULKCQQIVNDI-GKBBYZSKSA-N 495.443 6.121 50 1 JKGF CC(C)C1=C[C@@H]2OC3(CCC(NCCNc4ccnc5cc(Cl)ccc45)CC3)OO[C@@H]2CC1 49878056 VHOQQEYWTRNHBM-VRIOTGKESA-N 472.029 5.620 50 1 JKGF O=N[C@H](C[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 169691385 PMOLDZYUSXRAKJ-RTWAWAEBSA-N 472.275 5.114 50 1 JKGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325250 DAWATAVEFQNBDZ-PXDATVDWSA-N 471.912 5.146 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O 587423939 LUOBQJMEJHDMKG-KCMSVQPVSA-N 487.930 5.974 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587539702 XOKPDLWGTZFCLE-QIAKTKIMSA-N 485.330 5.050 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCBr)cc2)N1 587673917 RLHUPPMWBQAGPY-BLVKFPJESA-N 457.181 5.376 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687107 FLLNSVZXAJMJPJ-QLEMLULZSA-N 467.810 5.732 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 587719886 MCXWTCOBYFYROG-QPFGOUBPSA-N 455.557 6.051 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 587856648 YIRZTVUBNWVIKN-DMZKTXOQSA-N 481.862 6.133 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/CCBr)cc1 587875367 STOXJVLCJRJTTK-DAFODLJHSA-N 451.191 5.502 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1([C@@H](Cl)C(=O)c1ccc(F)cc1)C(F)(F)F 962368351 AMOIYDUATGAKTE-LEWJYISDSA-N 470.919 5.532 50 1 JKGF Fc1cccc([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962645128 SBQVWEHAVQNIJM-NOZRDPDXSA-N 451.383 5.211 50 1 JKGF COc1ccc([C@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962700120 FRJNOCVIVSGNOU-HFZDXXHNSA-N 462.074 6.631 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(OC(F)(F)F)cc(-c3ccc(Cl)s3)c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c1ccccc1)c1coc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1 49793861 KJJQWGJUDOEOEO-UHFFFAOYSA-N 479.472 5.338 50 1 JKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl 84724536 LNHOFAWCXTYPKG-QHCPKHFHSA-N 487.966 5.791 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2nnc(-c3ccccc3)o2)[C@@H]1c1ccc(F)cc1 587326695 MQXODGSALLLLDJ-HYBUGGRVSA-N 450.853 5.075 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 587335299 QMPSKZFBUOGIHB-RBBKRZOGSA-N 479.704 5.926 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587499915 WORGVQCCGWPRRP-BCOMRZATSA-N 485.967 5.585 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 587542657 HZIRPIGINOSOLX-NAKRPHOHSA-N 489.955 5.535 50 1 JKGF COc1cc2c(cc1OC)[C@](c1cccc(CBr)c1)(C(F)(F)F)N(C)[C@H](C)C2 962564448 GUFBPMJUCBNARR-ZUOKHONESA-N 458.318 5.281 50 1 JKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@@H](C)C2 962638666 XGAYTNCGRSVWTR-BXKMTCNYSA-N 469.975 6.642 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963199291 XKZKLPGJFFLKLU-QFMFQJCFSA-N 475.386 5.565 50 1 JKGF CCCCCC=CCC=CCCCCC=CN(NC(=O)COC)C(=O)CCCCCCCCC 2356561109 PTGPQHFNNAPOOT-UHFFFAOYSA-N 476.746 7.790 50 1 JKGF CCC[C@@H]1C[C@@]1(CCC)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 49881803 MAQBVAPOWAFDSU-XTBZXYEFSA-N 466.005 7.506 50 1 JKGF Cc1c(Br)cc2c(c1Br)O[C@@]1(CBr)CC[C@]2(C)[C@H]1C 197342092 MHTVVQOHWMXHOQ-DFKRKDTASA-N 453.012 5.734 50 1 JKGF CCCCCCCOC[C@H]1O[C@H](OO)C[C@@H](OCCCCCCC)[C@H]1OCCCCCCC 473127272 VMVYZBWNPMPQBH-FPCALVHFSA-N 474.723 7.289 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 473170674 QSCHAOOXBCYUJU-VFUWXHBOSA-N 498.748 6.747 50 1 JKGF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587043342 PSWMKEODUQXKPL-KRWDZBQOSA-N 479.496 6.507 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cncc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056886 SJFFHPBLKJZABA-AUWJEWJLSA-N 487.188 6.499 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321661 DTYUJPPMPGBODF-HVKUTMBPSA-N 453.897 5.371 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O 587493789 GQRQMJMUHFPLDS-MHECFPHRSA-N 452.963 5.718 50 1 JKGF CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587498953 KIGCJKXXSWZHDV-NDEPHWFRSA-N 481.474 7.170 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541284 AMBFHUQEVBIWBD-MTICYMICSA-N 464.989 6.999 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 587715221 XIVIJLLMCSEKIG-HUTHGQBESA-N 499.115 5.919 50 1 JKGF COc1cc2c(cc1OC)[C@H](c1ccc(CBr)c(C(F)(F)F)c1)N(C)[C@@H](C)C2 962570101 NDOZRHUFFFHPGD-YUNKPMOVSA-N 458.318 5.583 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(C(=O)OC3CC3)cc2)N1 962945955 HQEZVGLFKHSIEN-OSPHWJPCSA-N 453.380 5.050 50 1 JKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccccc1 1857583916 YUTUHCHAAAMMQL-XQLFCTNNSA-N 450.583 5.737 50 1 JKGF N#CC(=C(O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 1857622990 CHLGGFOIIALNAM-UHFFFAOYSA-N 454.958 5.217 50 1 JKGF C[C@@H]1C(=O)CC[C@@]2(C)[C@H]1C[C@H]1O[C@]13[C@]21CC[C@]2(C)[C@@H]([C@@H](C)CC=CC(C)(C)OO)CC[C@]32C(=O)O1 2356845101 OBHBMOJWJPZWOF-NUXTZFCMSA-N 486.649 5.492 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43382146 UYVDOKQPXXNEHL-ZZLMAXIOSA-N 457.611 5.007 50 1 JKGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1)c1ccncc1 64548890 LAGLZTPENDRQHY-WAPCQROESA-N 479.411 5.976 50 1 JKGF Fc1cccc2c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)n[nH]c12 587176758 QRYGCULTLBYWST-UHFFFAOYSA-N 457.197 6.665 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O 587493788 GQRQMJMUHFPLDS-KOSHJBKYSA-N 452.963 5.718 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 587498649 ISWAXQOPPXDWSZ-JBEBIEQOSA-N 454.364 5.407 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 587537468 FTBXNMIUYMCMPS-LBNVMWSVSA-N 499.360 6.215 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Cl)cc2c1=O 587541995 HFKDMNFDOYDCJF-CYFREDJKSA-N 469.276 5.594 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546936 YXIAQOGNBANCJD-WNCULLNHSA-N 454.865 5.657 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587683441 HCMFULMKFCHLDV-WNSKOXEYSA-N 452.839 6.683 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C 587690164 ZTDIVLDDCZSOIN-PEBXRYMYSA-N 455.843 6.069 50 1 JKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccc3)nc12 1857762952 XCIKVOLMAWADCU-UHFFFAOYSA-N 481.535 7.208 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(OC)cc1)OO2 64446941 MWIVCZJGBHGMMQ-MSZVURJFSA-N 481.592 7.318 50 1 JKGF Cc1ccc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587146796 WYPOROQFKYZLEP-PLNGDYQASA-N 457.237 7.601 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587320942 BWDWGHFNUXKOOJ-JTHBVZDNSA-N 475.741 5.873 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)-c1cc(C(=O)CCl)ccc1C4)[C@@H](C2)C3=O 587417419 MKBRLYSUYFIBTR-WXVAWEFUSA-N 479.359 5.570 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(F)(F)F)ccc1Cl)CC2=O 587463514 BICSBOYEKATTKH-IBGZPJMESA-N 477.704 6.273 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1 587537565 HRUCMJZPKVXBRS-RXVVDRJESA-N 490.147 5.407 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 587546349 WDKLGFLAGTWDJV-WNJJXGMVSA-N 487.983 6.149 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587681765 ANKHYHRXTMVHFQ-IQMFZBJNSA-N 477.805 5.444 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)[C@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963241910 OQOJCZZRTFZUDY-YPLOMLCWSA-N 477.004 5.562 50 1 JKGF CCC[C@@H](SSC[C@H](NC(C)=O)C(=O)O)c1cc(C)ccc1/C=C/CCCC(=O)O 1857628925 IZPIIKDCVJWAGQ-XCBOUCJHSA-N 453.626 5.075 50 1 JKGF COc1cc2oc3c(c(=O)c2c(O)c1C=CC(C)C)C[C@@H](C(C)(C)OO)Oc1cc(O)ccc1-3 2356469619 UYYZSBJGWJNBMX-NRFANRHFSA-N 468.502 5.121 50 1 JKGF Nc1c2c(nc3cc(Cl)ccc13)C[C@H](CNC(=O)CCCC[C@@H]1CCSS1)CC2 13607696 YNUALVMKORREBG-GDBMZVCRSA-N 450.073 5.406 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(Cl)cc1)OO2 64454320 NTYWCVJPGHXUIH-ZWKHSQGSSA-N 486.011 7.963 50 1 JKGF COc1ccc(/C=N/NC(=O)Cn2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)cc1 66078663 HBRXXOIBXSPJDN-STKMKYKTSA-N 485.587 6.648 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587071749 PWFLERSYGZBYEJ-UHFFFAOYSA-N 466.262 8.256 50 1 JKGF Nc1cc(Br)ccc1[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320246 FBLADRYKYYOYJQ-GMAHTHKFSA-N 490.756 5.759 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542210 GAJXVLMHXHBBLQ-RPLLCQBOSA-N 479.960 6.007 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 587718359 NSJYCZBUNNVZCI-YPMLDQLKSA-N 479.134 5.362 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845111 MWZRPNQOGLYINZ-MLCYQJTMSA-N 460.199 5.887 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 587855314 UMSFMWXEAKFCEU-HXPMCKFVSA-N 458.828 5.052 50 1 JKGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc(CCl)cc1 653778060 LQVQNZGCLHVUEU-WKULSOCRSA-N 478.339 5.181 50 1 JKGF Cc1ccc2c([C@]3(CCl)N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)c(C)n(C)c2c1 962925991 RZBVDMVMAVQOJO-RBJSKKJNSA-N 490.987 5.374 50 1 JKGF Cc1cc2c(cc1O)[C@](CCCCCCCl)(c1ccccc1Br)N[C@H](C(=O)O)C2 963506103 FMOXXOHNYJVBQO-REWPJTCUSA-N 480.830 5.495 50 1 JKGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(F)cc1C(F)(F)F 1772629589 WBLAAOYAEKZCRC-ZRZAMGCNSA-N 455.455 5.796 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)C1=C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@@H](C)CC[C@@H](Cl)C1(C)C)C2=O 2356341356 MJOKCTHXYZUZPK-QVYYVPJFSA-N 495.443 5.936 50 1 JKGF CCCCCCCCC=CCCCCCC(C=O)=CCCCCCCCCCCCCCC 2356606792 DNSHVKWARJXHJJ-UHFFFAOYSA-N 460.831 11.460 50 1 JKGF ClCCN(CCCl)c1ccc(CCCCCNc2c3ccccc3nc3ccccc23)cc1 26823168 IMFGGYMFQQRZID-UHFFFAOYSA-N 480.483 7.497 50 1 JKGF N#C/C(C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)=C(/O)c1ccc(C(F)(F)F)cc1 34493765 XOGSILQKYCKRBG-UZYVYHOESA-N 493.268 7.236 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)cc1 299847806 RQWDXQLIDQZPMV-OJJQZRKESA-N 460.528 5.135 50 1 JKGF Clc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3C[C@H](Cl)c2ccccc2)c1 299866435 OZMBEEXTIVZRNQ-NRFANRHFSA-N 484.456 7.238 50 1 JKGF O=S(=O)(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 586924622 SGJPYTIYKQYORY-UHFFFAOYSA-N 469.295 5.840 50 1 JKGF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Cl)c1 587157628 AXRWSWJYSYVLKH-IBGZPJMESA-N 478.845 8.181 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C 587688218 JSKKNAZJPBLOGC-JLCFBVMHSA-N 455.843 6.069 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587844958 PSNTYJKFNXMERC-CMJOXMDJSA-N 453.380 6.149 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 587854161 QHPNNWJMYXCSPF-DHZVRSILSA-N 490.829 5.987 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(N=C=S)c1 587895720 GDLBBCCNLDLEQL-UHFFFAOYSA-N 454.176 5.201 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c(I)c1 587917502 LGWCLPDJDYJJSV-UHFFFAOYSA-N 461.524 5.248 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(I)c(CBr)c1 587917522 LRLUTFLCTOJCEJ-UHFFFAOYSA-N 461.524 5.248 50 1 JKGF Fc1cccc2c1[C@H](c1ccc(Br)c(F)c1CBr)N1CCC[C@@H]1C2 963101598 LKXQYIFWUXJOEQ-BLVKFPJESA-N 457.156 5.732 50 1 JKGF O=S(=O)(Nc1cc(S(F)(F)(F)(F)F)ccc1O)c1cc(Br)ccc1O 1857595008 ATCYNRMRQJYXTG-UHFFFAOYSA-N 470.235 5.319 50 1 JKGF CC(C=O)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 2356667181 KICRJBQYQISQJK-OBBMHDNPSA-N 458.727 6.709 50 1 JKGF CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356722167 ZNDFZMMMAFAVDM-OUTSHDOLSA-N 488.744 7.611 50 1 JKGF CC(C)C1=C[C@H]2OC3(CCC(NCCNc4ccnc5cc(Cl)ccc45)CC3)OO[C@@]2(C)CC1 42923469 WBYWBGNDHPSABG-CSMFHKJKSA-N 486.056 6.011 50 1 JKGF COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(CCl)c2)cc1 96271933 QCGJHTNANNMGKX-XMMPIXPASA-N 481.976 5.270 50 1 JKGF CN(c1ccncc1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 102990449 LKVSKJATYABJLS-HDICACEKSA-N 453.608 5.450 50 1 JKGF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587159674 SKMHMBBCNUVBFM-UHFFFAOYSA-N 454.399 7.365 50 1 JKGF COc1ccc(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587322793 OUGUAPVVDROECK-LADGPHEKSA-N 487.321 5.198 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325125 WQLFPPUQHPKBIQ-WKAWXIHRSA-N 485.939 5.535 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 587328120 SYWANUCNHAKVPJ-WNJJXGMVSA-N 484.910 6.117 50 1 JKGF COc1cccc(-c2cc(-c3ccc(OCCCCl)cc3O)nc3c2oc2ccccc23)c1 587358544 RTKGZYFRJUTQFB-UHFFFAOYSA-N 459.929 7.037 50 1 JKGF CCOP(=O)(C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC 587360697 PCZZPFAQPPUEHA-PZJWPPBQSA-N 456.834 5.134 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587414210 LRXFACIWTCYTFG-ICBNKOFZSA-N 473.363 5.073 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O 587468382 WUWXNQNYIWZODU-AREMUKBSSA-N 489.946 6.453 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccccc3)c2c1 587618498 STEYEWFLFUEWNO-UHFFFAOYSA-N 471.922 5.291 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674621 YFBSHNFSMXSXSE-LHSJRXKWSA-N 469.236 5.959 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587714638 WGODEHROOOYRML-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 587722511 SBFLJIWKHWLTTG-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc(S(F)(F)(F)(F)F)c1 962624210 BGRCEIOXFCYSSS-BBRMVZONSA-N 477.373 6.239 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 963270594 PXBJCFYQZDLHSW-XMMPIXPASA-N 483.247 6.147 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1C 1772612473 GSLXULZJVUBYKZ-HSZRJFAPSA-N 496.451 6.280 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)COc2ccccc2)c1NC1CCCCC1 13491848 MBFLNNJLGAYLME-QGZVFWFLSA-N 456.974 5.039 50 1 JKGF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1ccc(Br)cc1 29123184 SWUHISXMVUXOBQ-DHRITJCHSA-N 477.189 6.192 50 1 JKGF Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)CCCCl)nc2c1 34688687 FUUUOLMFQAXOAU-UHFFFAOYSA-N 456.030 6.861 50 1 JKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 64447199 GTCCWQYUSKUNTB-MCEGXLGASA-N 477.604 7.823 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587702056 DGWHLHZKHONNJV-LANCPOTRSA-N 482.674 5.509 50 1 JKGF CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C\c4ccc(O)c(O)c4)n3)c2C)c1 587924300 QKFNHGYWRYIGBA-ZDLGFXPLSA-N 459.596 6.415 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(C)(C)CC2=C1[C@@H](c1cccnc1)C(C#N)=C(C)N2 963608557 LIOWVHILAVMAJY-KIMHHRBCSA-N 470.617 5.087 50 1 JKGF CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299831075 IUZRFBJVUDOICO-AKJBCIBTSA-N 496.563 5.797 50 1 JKGF CCCCCCCCOc1cc2nc(CCCCBr)[nH]c2cc1Br 586972046 DDKGDTNVSZQDLR-UHFFFAOYSA-N 460.254 6.782 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321730 KMWMSFGGEZLVEN-BZKWKZGKSA-N 485.305 5.298 50 1 JKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)sc2n1 587537311 CSWHCJXTNQBMLA-RUZDIDTESA-N 469.006 5.850 50 1 JKGF N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609384 VHNHVMJLMZTOAB-KNQAVFIVSA-N 458.322 5.770 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616558 DUUQQKYRNSOARD-QQQUVDROSA-N 462.914 5.248 50 1 JKGF CCCCCc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674230 VDEXUBJYCMOJKG-QRQCRPRQSA-N 483.263 6.494 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 587676593 HOMGKIQRAHQGSM-YXYNZYKKSA-N 493.218 5.098 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587683405 GVSYYZNJDWGDGB-YYSFKGJASA-N 471.153 5.710 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587686302 CFOPJDUVEOHZFD-VUCVNMQBSA-N 457.815 5.231 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H](Cl)CCCCCCCCC[C@H]2Cl 587704645 KECIVEYRDOYSPL-ZTFGCOKTSA-N 465.278 7.057 50 1 JKGF COc1ccc2c(c1OC)[C@@]1([C@@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676560 KZPPSFDMNLLKEE-NBGIEHNGSA-N 495.969 6.434 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@]34O[C@@H]4C[C@]12C 2356531081 YMOPKZYYURKDKI-MGCBCSSOSA-N 454.695 6.645 50 1 JKGF C=C(CCC=C(C)C=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@H](O)C[C@@]12C 2356540587 CPCXHJGLQHAOKZ-YWHGBEEXSA-N 454.695 6.693 50 1 JKGF C=C(Cl)[C@@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br 1639187 NPRTWFMPAGYFEZ-SCZZXKLOSA-N 490.299 5.985 50 1 JKGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)N(C)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 13823184 IAHDJDYXXOYJJQ-JXNPFXPLSA-N 488.531 5.157 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(C=O)=CC[C@]4(C)CC[C@]23C)C1(C)C 165982735 CXBKIDKNBGHPIU-RQDVQWIDSA-N 482.749 7.775 50 1 JKGF C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O 257377472 ALBRPHJUQRKZLQ-SMTWTYMFSA-N 454.695 6.837 50 1 JKGF endogenous,in-man Brc1ccc(/C=C/CSSC/C=C/c2ccc(Br)cc2)cc1 473113332 FTEQFNKDVGEQIA-ZPUQHVIOSA-N 456.268 7.320 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)c(C)n1-c1cccc(Cl)c1Cl 587056312 OTQFQHZZKNMZHB-YVLHZVERSA-N 479.367 6.503 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2coc3ccccc23)[C@@H]1c1ccc(F)cc1 587321555 KCXZYOCFHAXXLZ-ISKFKSNPSA-N 467.290 5.927 50 1 JKGF C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338374 PUYATAHQQFXOMB-IFMALSPDSA-N 474.422 7.463 50 1 JKGF COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587496689 JUFFKVCRSJUAMQ-IAPPQJPRSA-N 475.972 5.681 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587682672 NBGLULWXEDSKJZ-OIRASMEMSA-N 484.752 5.338 50 1 JKGF C[C@H](Cl)[C@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2ccc(F)c(Br)c21 587688765 NZMSTJXVTIYMKK-SMDDFHAHSA-N 461.766 5.218 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 587719304 KYYWNYUOKWZLPS-DYZYQPBXSA-N 497.124 5.660 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@](CCCCl)(c1ccccc1F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626516 KDPHRNTZILJDHS-BKMJKUGQSA-N 489.971 5.537 50 1 JKGF COc1ccc2c(c1OC)[C@@]1([C@@H](Cl)CCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680137 SBPONDHBGIYXIQ-YADARESESA-N 481.942 6.044 50 1 JKGF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356495612 XEWVATFZTBNDCF-WMOVJJSGSA-N 486.901 9.884 50 1 JKGF 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](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 2356686574 KLCUUHOIEJZJNQ-RKERVZIKSA-N 498.748 7.095 50 1 JKGF Cc1c(C(=O)NCC23CC4CC(CC(C4)C2)C3)nn(CCCCCCl)c1-c1ccccc1 3936485 YCSPWMPBFWQFTH-UHFFFAOYSA-N 454.058 6.214 50 1 JKGF CC(C)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N/N=C/c1ccc(Cl)cc1 12971213 FJTSPNNKJFEJEL-BUSZIJHZSA-N 489.044 6.664 50 1 JKGF COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(=O)OCC(C)C)c1ccccc1 36311300 ZFWLGOHBPDLTBB-UHFFFAOYSA-N 469.541 5.854 50 1 JKGF Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84723175 QAUVEPFNEIDDJI-RUZDIDTESA-N 498.030 6.268 50 1 JKGF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]34CC[C@H]5[C@@H]6OO[C@@H]6CC[C@]5(C)[C@H]3[C@@H](OO4)C(=O)[C@]12C 255194878 AMDQNMUODBOOSA-DKFCSTFKSA-N 458.639 5.681 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015309 LFUCTMUGQKYBQG-UHFFFAOYSA-N 472.291 8.318 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(C#N)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055835 NNJFLDGIUSYIFI-CXUHLZMHSA-N 466.759 6.867 50 1 JKGF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587266210 ZDIRRZLRQOPHED-JTQLQIEISA-N 481.399 6.480 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O 587457936 DQDMYCOEHIABFA-XNMGPUDCSA-N 479.960 5.460 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538674 RCQBBMWTXSNOJI-SGIRGMQISA-N 496.357 5.381 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587672913 IWQHZXTXEHTRDH-IQMFZBJNSA-N 495.274 6.809 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587672991 JJPUVTJKEOCFEE-GIGQVBGESA-N 487.594 6.161 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587674069 SLAKHCXMAQTTIF-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587683910 IITQTJLRBJZLFD-XMHCIUCPSA-N 467.810 5.589 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587683918 IJCZGGWKRFZFAC-WNSKOXEYSA-N 477.805 5.444 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C 587690163 ZTDIVLDDCZSOIN-JLCFBVMHSA-N 455.843 6.069 50 1 JKGF Fc1ccc([C@]2(CCCBr)NC3(CC3)Cc3ccc(Br)cc32)cc1 961615570 PTCSGNOSNHMLRW-FQEVSTJZSA-N 453.193 5.685 50 1 JKGF Fc1ccc([C@@]2(CCCCl)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1F 962627593 HAJCGTQOWBXSBW-KCWPFWIISA-N 452.976 5.974 50 1 JKGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 962646137 WQCDPBDXCHQCDF-ZWWIOARJSA-N 457.920 5.225 50 1 JKGF FC(F)(F)C(F)(F)[C@]1(CBr)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648779 YIAQWGMCEMUZJP-HKUYNNGSSA-N 475.299 5.221 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCCCCCCCC[C@@H]2Br)N1)C(F)(F)F 962729657 IVYXNJCCGBQPTP-IRFCIJBXSA-N 460.378 6.206 50 1 JKGF COc1ccc2c(c1)[C@](CBr)(c1ccc(C#N)cc1)N(Cc1ccc(F)cc1)CC2 963300865 INPPYICTUKWQEB-VWLOTQADSA-N 465.366 5.403 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356445736 MBNLFFHRULJOPH-SMPOVXKUSA-N 486.737 6.325 50 1 JKGF O=[N+]([O-])c1ccc(/C(=N/c2ccccc2)SS/C(=N\c2ccccc2)c2ccc([N+](=O)[O-])o2)o1 1656515 FGDWBXDDXYLZBU-SXAUZNKPSA-N 494.510 6.927 50 1 JKGF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCCCCN=C=S 27431230 MUVARIKITYVRFW-ZEQRLZLVSA-N 462.707 6.242 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 38151422 ICFOPLOPLNRVLF-JTPHAACNSA-N 477.689 7.112 50 1 JKGF C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](OO)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)OC 44431438 SQJJCDOVGAFFCH-MDAHNZKBSA-N 488.709 6.566 50 1 JKGF biogenic,in-vitro C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(C)cc1)OO2 64453818 AVHNAAMBEMLLDE-QVRFIUBNSA-N 465.593 7.618 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(CC)c1C 587326013 JDTLDWRWNLYRKS-SQHAQQRYSA-N 499.966 5.639 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@H](C)Cl)CC2=O 587459249 NNQWJUQRYLWWGL-XXAQJILISA-N 451.346 5.365 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(C=C(CCl)OC=C1OCc1cccc(OC)c1)CC2=O 587460706 OWJNWHGWMMPOHO-VWLOTQADSA-N 456.922 5.268 50 1 JKGF O=C1C[C@](CBr)(c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587507426 MBZOTRONYQXZBY-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587643645 HXVPVAXPCDFAEJ-UHFFFAOYSA-N 465.303 5.786 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587672626 GRBOHQSKYQZSMD-DYZYQPBXSA-N 454.141 5.703 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 587672935 JAJVDIFLESRTQS-MGNBDDOMSA-N 477.599 5.639 50 1 JKGF COc1ccc2cc([C@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587673238 LPWGJUWOJZXDID-XMHCIUCPSA-N 493.214 5.923 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 587715501 CSMAQANHDIUJCG-WIRUYUOASA-N 495.152 5.761 50 1 JKGF CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)cc1 1911586607 SLZJILDAYNHBFS-XMMPIXPASA-N 464.521 5.681 50 1 JKGF Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2)c1C#N 96933501 QHLDEQIQJPJJJX-IZZNHLLZSA-N 489.966 6.167 50 1 JKGF Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@@H]3c3ccccc3)c2C#N)c1 96933506 ZNMLHRMEJMKBPU-UIOOFZCWSA-N 489.966 6.167 50 1 JKGF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587194746 AODWDPFZPVWSJP-JTQLQIEISA-N 470.305 7.201 50 1 JKGF Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl 587685866 BLEICVWKOIRPEN-MCMMXHMISA-N 487.240 5.952 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 587689177 QMGFQHSDPBCEIO-XPJRNTNOSA-N 477.849 6.257 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccccc2F)N1 587727894 PWAIEZYIJGEJSX-ZBJVWZGCSA-N 459.172 5.483 50 1 JKGF Cc1c(F)ccc2c1[C@](CCl)(c1scc(Br)c1Br)NCC2 962092101 LTVXROCRCXVWEP-OAHLLOKOSA-N 453.602 5.349 50 1 JKGF COc1cc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)ccc1OCCCCl 962930610 WGMGTAYARQRCHU-HOFKKMOUSA-N 497.975 5.063 50 1 JKGF COC(=O)c1sc(-c2ccccc2Br)nc1C(Br)Br 72171791 MBBVFSHERAUHPQ-UHFFFAOYSA-N 469.980 5.148 50 1 JKGF CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc1 82052520 RJTNIBPASYBGPL-HXUWFJFHSA-N 478.443 5.893 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056715 QQVSSQRDWUIZFI-NTUHNPAUSA-N 477.182 7.043 50 1 JKGF CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587087711 SYFFVJJRYFEMMU-OAHLLOKOSA-N 460.756 5.201 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2([C@@H](Cl)CCCCCCCCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587334255 YGNNKKOFCGHWGO-OUJSJNLKSA-N 479.419 7.368 50 1 JKGF CCc1cccc2c([C@@]3([C@@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587418213 SSCMDOWLMJHDGD-MHWRTBLVSA-N 457.957 6.362 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3cc(OC)ccc3c1)CC2=O 587457422 ZBHAKMKEACUJCK-XMMPIXPASA-N 455.348 5.762 50 1 JKGF O=C1C[C@](CBr)(c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587504425 IYMOSWJHYZACHB-FQEVSTJZSA-N 455.270 5.720 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 587712650 PYQJMLIDEWWSCR-PJYBLOJUSA-N 495.152 6.168 50 1 JKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCl)CCCCl)nc(Cl)nc21 963929791 XJMSGKYUDMGGSP-NRFANRHFSA-N 468.816 5.282 50 1 JKGF CCNC(=O)c1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(/C=C/C#N)cc1C 1772575220 QJUWJRSXPZSQJW-AATRIKPKSA-N 451.530 5.580 50 1 JKGF CC(C)=CC[C@H](C)C=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356753418 VWZKPZARAHDCMM-LOIHPRHOSA-N 458.727 7.497 50 1 JKGF C[C@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1ccccc1 27632626 YRCPCOSXYNOMNI-LBPRGKRZSA-N 465.731 5.103 50 1 JKGF CCSC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71317607 RERARLBAXSBBHG-UHFFFAOYSA-N 455.624 6.145 50 1 JKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc(-c2ccccc2)c1 95590096 WGURLSBABPNOFC-FOKLQQMPSA-N 490.151 5.054 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 587497983 LRTSWPWECAOTQE-NDEPHWFRSA-N 477.988 5.844 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(Cl)c1 587538138 NTFITCUGGSDSED-RXVVDRJESA-N 480.141 5.951 50 1 JKGF Cc1cc([C@]2(CCCCCCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963188731 WHAVKTMFBLVRJN-IRLDBZIGSA-N 492.340 6.448 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356723772 TXUMQRMGEPNFCA-KEEXXOBTSA-N 458.727 7.947 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N/NC(=O)c3ccncc3)c2c1 40940209 OCDDLKFAOVWAAE-WCMJOSRZSA-N 464.491 6.355 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 59796546 IJLWXMAZQWVPRJ-XUVVAKCHSA-N 458.727 8.273 50 1 JKGF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCI 169361670 KOHVJRAXSGONGW-AVHBIOJASA-N 457.440 6.683 50 1 JKGF COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@@H](Cl)CCCCCCCl 473085016 VFUSKSIAISUKGN-QTTKRLLDSA-N 466.490 5.716 50 1 JKGF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586939404 NYZHZQLZOZNLNI-LLVKDONJSA-N 455.474 5.964 50 1 JKGF Fc1ccc2c(c1)C[C@@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)O2 587174740 RXVYIFOVESBRPI-ZDUSSCGKSA-N 459.209 6.798 50 1 JKGF CCCCCCCCOc1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2cc1Br 587188839 XROFGZBGGZVHKM-XSFVSMFZSA-N 466.423 7.437 50 1 JKGF CN(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323391 QYGPGCZLSYZLQO-UPVQGACJSA-N 470.338 5.247 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 587323830 UPUXTPHZLUNSHY-KNQAVFIVSA-N 496.159 6.487 50 1 JKGF COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325423 FITIOXXDPRFYHL-ZCYQVOJMSA-N 468.864 5.485 50 1 JKGF O=C1c2ccc(O)cc2OC2([C@H](Cl)CCCCCCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587334265 YGNNKKOFCGHWGO-SMIHKQSGSA-N 479.419 7.368 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)O2 587382911 PQRDPJAIMCPNBQ-HSZRJFAPSA-N 462.899 6.103 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Cl)c1Cl 587552910 CNZABAOODBCDBQ-LAUBAEHRSA-N 498.131 6.090 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2sccc2Br)N1 587844373 NLXKXJKTIMJBQO-XXFAHNHDSA-N 476.234 5.404 50 1 JKGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CCCCCl)(c2ccc(C(F)(F)F)cc2)N1 962646049 WBDQJCCPJKMKGJ-OXJNMPFZSA-N 495.847 5.856 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)N1 962945767 KMOQOQOIFYZBGT-CLYVBNDRSA-N 482.455 6.644 50 1 JKGF Cc1ccc([C@]2(CCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962960522 UZNRMMHWDSXXGY-DEOSSOPVSA-N 451.960 6.318 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O 2356467809 GKUSRUNEHWJUSA-LTKMKZFDSA-N 472.710 7.126 50 1 JKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)[C@@H](C)Cl 2356585037 BCHIOUHGRHUBMI-HCDMYHGNSA-N 478.693 5.758 50 1 JKGF CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O 14556880 CMKAMRUVQONAPO-HZLFSWPCSA-N 474.726 6.612 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 34741167 XNRQWWCTSMJFJI-CLPZTGEKSA-N 472.710 6.389 50 1 JKGF CCn1c2ccccc2c2cc(/C=N/NC(=O)CCCCCC(=O)Nc3ccccc3O)ccc21 95808330 IVOKWDIOLHXNGW-VUTHCHCSSA-N 470.573 5.559 50 1 JKGF CCc1ccc(C(=O)N(N(SOc2ccccc2C)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103294872 DBPBMXKHWGNIQA-UHFFFAOYSA-N 490.669 7.115 50 1 JKGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\NC(=O)c4ccncc4)[C@@](C)(CC[C@@H]21)C3 169654205 VXMRFFVJZYHXJS-UPEFADBOSA-N 451.611 5.143 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586973218 GWRQGPQYRLJSRE-SECBINFHSA-N 478.106 6.271 50 1 JKGF CCOC(=O)[C@@]1(CCBr)CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 586994384 ZCTDQQXSGCLWOS-RUZDIDTESA-N 464.359 5.287 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587084874 JBLBDTBZMUAUKD-UHFFFAOYSA-N 484.675 7.851 50 1 JKGF Cn1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587538799 RTZUXBMDZYGQIK-ZJSXRUAMSA-N 464.315 5.136 50 1 JKGF [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538987 TVHZEHAORUZFQK-NQIIRXRSSA-N 452.264 5.586 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549023 PJELKQRRZDEJRE-PSMUNZOPSA-N 493.275 6.052 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)c2ccccc2)N1 587674064 SKHGNARVIBGIIJ-DURYTUKUSA-N 489.226 6.502 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 587674525 XKYCRVGBKMHCDQ-FKIZINRSSA-N 480.175 5.416 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](Cl)CCCCCCCCC[C@@H]2Cl 587702588 DRIKZRLAFKBHLM-UAOJZALGSA-N 465.278 7.057 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)cc1F)CC2=O 587464502 RPPHYNUIYZTKMP-LJQANCHMSA-N 461.249 5.758 50 1 JKGF CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497678 KKSSRCBKNNGGNV-KAYWLYCHSA-N 486.439 6.090 50 1 JKGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCCl)cc1 587621355 BOEJNIJNWCTUQH-UHFFFAOYSA-N 474.786 5.706 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587688410 MGMHFZOLDGSLRE-XMQCVEROSA-N 481.837 5.978 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]21C=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@]4(O)C#N)[C@@]2(C)CC1 963004385 CIFPSGDJSQYGHJ-BNVYAAAMSA-N 450.692 5.923 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1cccc(F)c1 13675453 ANTKSEOWKXCTTM-JOCHJYFZSA-N 466.944 5.382 50 1 JKGF Cc1ccc(CC(=O)c2ccc(CC(=O)CCl)cc2)cc1Cc1nccc(-c2cccnc2)n1 96177465 UOPTWPXOTHDBOK-UHFFFAOYSA-N 469.972 5.214 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4ccc(F)cc4)C(=O)O[C@@H]3[C@H]21 206984882 RXPQTMRTZAHSPB-PANFYNLRSA-N 456.674 7.052 50 1 JKGF CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928968 PBLIYELCLRKRCI-UHFFFAOYSA-N 461.865 5.694 50 1 JKGF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586964788 DSKNGKKXCFZKQW-UHFFFAOYSA-N 479.504 5.677 50 1 JKGF CC(C)Oc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973322 HORJUWDBJNXRSI-GFCCVEGCSA-N 452.190 6.159 50 1 JKGF Oc1ccccc1-c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2cccc(Cl)c2n1 587082436 ODJVJALMJGNLFQ-UHFFFAOYSA-N 497.876 8.462 50 1 JKGF COc1ccc(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587322794 OUGUAPVVDROECK-UPVQGACJSA-N 487.321 5.198 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537461 FQORMIRUEKEYES-NZQKXSOJSA-N 489.749 5.615 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540390 ODXNXNZXDGCKRH-NCNFXNTHSA-N 459.723 5.639 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546202 UWAAPWQHHMBDMT-DRWOTAJISA-N 479.960 5.861 50 1 JKGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCCl)cc1 587625355 GYTJENBLISVHRC-UHFFFAOYSA-N 491.859 7.104 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682485 CMGKSKFHOWOYRI-LFPIHBKWSA-N 456.786 6.176 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587716309 ZQARKMMQXXUBOH-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587846040 GIRSKFUNPSCWMP-QKVFXAPYSA-N 487.866 5.329 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCC4CCCC4)cc3)(C(F)(F)F)C2)cc1 1772609704 BSYIEGGHVGXRTL-AREMUKBSSA-N 468.519 6.209 50 1 JKGF C[C@@H]1C(C=O)=C[C@H](O)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 2356519996 VPUGJHCMFDNBBF-HIVZRJGISA-N 456.711 6.175 50 1 JKGF CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 1858691 GPRXWDOJSMVDHQ-HNNXBMFYSA-N 462.893 5.171 50 1 JKGF CSc1nc(NCCc2ccccc2Cl)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 28862016 KJWCAGAIQICXKK-LJQANCHMSA-N 458.418 5.836 50 1 JKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Br)cc2)c2ccc(N(CC)CC)cc2O1 66074266 NQJLAHXJHKNLFM-WGLQLPMYSA-N 454.368 5.620 50 1 JKGF CC(C)=CCC[C@H](C)/C=C/[C@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238756583 BIXXDPOEXJMBRN-VKVMCOPCSA-N 474.726 6.468 50 1 JKGF COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1F 587054565 GGLBSQPKSORAES-NVNXTCNLSA-N 455.320 6.489 50 1 JKGF Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc2n1 587253228 DKFVMXYRPKUYDD-UHFFFAOYSA-N 465.245 6.780 50 1 JKGF C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327019 ODSSDNMDBIEUSB-BKMJKUGQSA-N 479.891 5.729 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587328435 UMQVNAWPGKULOY-IAPPQJPRSA-N 458.916 6.692 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587669305 CRUVBEOQZOTGRQ-ADWYPQAOSA-N 491.626 5.811 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674735 ZUSLSSIJCQDSAJ-GIPWTMENSA-N 466.192 5.551 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587683863 IGKBKPKNEVECLJ-WHEQGISXSA-N 460.778 5.738 50 1 JKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12)OO 2356675227 LQPSEQWINGOYLK-KGAGCJNRSA-N 484.677 6.527 50 1 JKGF C=C[C@](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3)(OO)C(C)C 2356732290 KTUQYPNOLWLYHP-ZABKGVNTSA-N 474.682 6.476 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)[C@H](C)Cl 35245274 JUYPKXVIXYIXAU-SIBVEZHUSA-N 480.008 5.178 50 1 JKGF CC(=O)O[C@@H]1C[C@@H](Br)C(C)(C)O[C@]1(C)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 44386899 PVGGMHHFCWKSQT-BUJMLFLGSA-N 474.661 5.200 50 1 JKGF Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 169310624 PVWMJURKZHBAEB-QFIPXVFZSA-N 491.382 5.187 50 1 JKGF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1 587013752 ATTAIFLJZWNJCU-UHFFFAOYSA-N 456.462 6.369 50 1 JKGF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587033931 KMSVIQMPFVYGIV-HNNXBMFYSA-N 475.508 7.706 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058546 ZXKKLCFABARMFX-VGOFMYFVSA-N 463.328 5.923 50 1 JKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 587187299 DKRBQEPPPZKPOK-BOPFTXTBSA-N 482.487 5.755 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)CC2=O 587466912 QHEUPRZIKACFLI-UTKZUKDTSA-N 457.286 5.492 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(F)cc1 587510138 UYKABDLGRUXRBF-MUUNZHRXSA-N 465.996 6.465 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674584 XQUUHQXTMPHSCV-WYRIXSBYSA-N 491.626 5.731 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C 587689265 RIUSBLNGMKEGOY-SAHAZLINSA-N 483.809 5.145 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587709579 BADLKTRIFMTPRY-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF Cc1cc2c(cc1F)[C@@](C)(c1cc(OCc3ccccc3)cc(NC(=O)CCl)c1O)NCC2 962304354 ZOKKUWBMVVXJIX-SANMLTNESA-N 468.956 5.005 50 1 JKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CCCCCl)(c3ccnc(Cl)c3)N12 962657321 BJIWQOSSGFFUHL-RPWUZVMVSA-N 458.389 5.035 50 1 JKGF COc1cc2c(cc1OC)[C@]1(CCC[C@@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672580 KFVYWTRWGBEFJR-UNMCSNQZSA-N 453.888 5.408 50 1 JKGF O=[P@@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@@H](C(Cl)(Cl)Cl)O1 1855888 CNHAOASKKIUHJG-RULNZOCKSA-N 461.924 6.048 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447634 VBONCXOBVCFWSB-HFVLIPCGSA-N 492.494 5.794 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccc2ccccc2c1 64448867 LHCWGOJOMBWANE-VWLOTQADSA-N 463.587 6.819 50 1 JKGF CC(=O)Oc1ccc(/C=C/C(=O)N(/N=N/c2cccc(F)c2)c2cccc(F)c2)cc1OC(C)=O 72178122 OHYMJZAAXCBICH-BEMFQAOKSA-N 479.439 5.561 50 1 JKGF C=CC(=O)Nc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587244038 KZQSBDKCAQELRO-UHFFFAOYSA-N 468.245 6.774 50 1 JKGF COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br 587319197 AQCBNDAOPDICFZ-GMAHTHKFSA-N 491.740 5.796 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 587323828 UPUXTPHZLUNSHY-DENIHFKCSA-N 496.159 6.487 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 587332799 JYDSEOVBWDLTBX-XCZPVHLTSA-N 493.937 6.571 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1oc3ccccc3c1CBr)O2 587377654 OQHCPVNZQGZVSD-RUZDIDTESA-N 462.343 6.127 50 1 JKGF CCC(C)(C)c1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587565131 XSVPPTQOMYSOIZ-UHFFFAOYSA-N 499.343 8.249 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587711303 JTYDNIDGEFKKGZ-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Br)cc2)N1 587845846 OKZVLASRSQABLF-BBATYDOGSA-N 470.205 5.343 50 1 JKGF CC(=O)c1ccc2c(c1)[C@](C)([C@H](Cl)c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962630623 PPHQYKJYXAVCGN-BPYKYCOYSA-N 457.954 5.331 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)c(C)n1-c1ccccc1Br 963113045 YXQIFHYSIJMMKM-CJFMBICVSA-N 487.844 6.499 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 963240661 KZLOIIKCJSNLMH-VKGTZQKMSA-N 465.037 6.004 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356482955 CFBBUWFXWSYJHB-MYXWZSRTSA-N 454.695 6.837 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43911283 QBDZNAOQIOKONC-NVQFFLNSSA-N 471.638 5.397 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 58689786 RIYAQYSWWBDTAS-AJNNAGPSSA-N 482.705 7.350 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100780100 CASWDFLWXWLZCX-IPSCFRKDSA-N 480.985 5.471 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 587085699 BNBSZSWRUSUDLY-UHFFFAOYSA-N 484.675 7.851 50 1 JKGF CN(C)/C=C(/C#N)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506329 XDKCONATEJMFHD-SFZZKXPISA-N 451.364 5.158 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2F)([C@@H](C)Br)N1 587724895 MFZYOQQLLZDVIC-CLFVBBPSSA-N 463.135 5.428 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1ccc(CC(=O)O)s1 961782834 ZVCHGOGFSNJTPI-XMMPIXPASA-N 477.026 5.009 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962714546 PCNJBZMLBSUVHV-UQBPGWFLSA-N 461.046 5.555 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OO 2356345993 GMYOLHJETWNFPY-OBXDRSCESA-N 472.710 6.982 50 1 JKGF CC(=O)OC(=O)[C@]12CC[C@H](C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 2356555193 LHQBHRRRKUSSIK-MNGHPZKYSA-N 484.721 6.849 50 1 JKGF O=S(=O)(O)c1cc(/N=N\c2ccc3cc(SOOO)ccc3c2)c(O)c2ncccc12 261094296 FDAOCMJKYALUBB-DQRAZIAOSA-N 459.461 5.184 50 1 JKGF C[C@H](Cl)C(=O)Nc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 586987093 ZZRNQJKRRAQYDG-ZDUSSCGKSA-N 468.896 6.131 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCO4)c(C)n1-c1cccc(Cl)c1Cl 587053760 AAKMVXCMSZVNIH-VIZOYTHASA-N 451.313 6.070 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056293 OPSJPOYJHVSEKV-DHDCSXOGSA-N 475.301 7.360 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(F)c2F)[C@H]1c1ccc(F)cc1 587339340 YVCFLDQTYCBEED-SIKLNZKXSA-N 463.249 5.459 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)ccc(Cl)c1Cl)CC2=O 587465041 FOLNSCDSKNVFEY-LJQANCHMSA-N 462.142 6.046 50 1 JKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498846 IUVXIEQXONMHKI-NRFANRHFSA-N 470.190 6.136 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542005 FFCCYBFJRGLZIU-FIBWVYCGSA-N 493.043 7.781 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544844 PCNTUMQHUVJDOF-QDPGVEIFSA-N 494.971 5.719 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587687072 YQNLXNXPJRNBCO-RCDICMHDSA-N 464.762 5.529 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587689981 YHPUDOJDQYHNRK-LMKMVOKYSA-N 489.860 6.629 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCCCl)c1cccc(OC(F)(F)F)c1 963235567 XAEKJBJQEOOLCA-YADARESESA-N 453.976 7.285 50 1 JKGF COOC[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CCc5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@H]2C1 1857544515 ZDVIRCPVYBNXLF-PBYRCBEBSA-N 456.667 6.909 50 1 JKGF CCCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCc1ccccc1 13675555 HCKGKOPVDDDNKI-QHCPKHFHSA-N 462.981 5.980 50 1 JKGF N#CC(=C(/N)Sc1ccc2ccccc2c1)/C(C#N)=C(\N)Sc1ccc2ccccc2c1 40701306 OBSMHBCQVDROIH-OGGGYYITSA-N 450.592 6.265 50 1 JKGF CCCCCCCCCCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195345677 ULZLQAWMWUNYHY-XODMJMLQSA-N 464.687 7.466 50 1 JKGF COc1cccc(-c2c(CC3CCCC3)c(CBr)nc3c2oc2ccccc23)c1 587361500 VCLHGAOUAIXAQY-UHFFFAOYSA-N 450.376 7.284 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672300 ZKMYKQRMNHRNFY-YPENRWOSSA-N 469.236 6.273 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(Br)cc2)N1 587676473 DWICDMADGXREIT-BBATYDOGSA-N 461.600 5.562 50 1 JKGF COCCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587686313 CHYVOKSZGJUKPN-LRTDBIEQSA-N 457.815 5.060 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587688202 JRDRKXVVHFFNMO-DOLBFCBYSA-N 475.833 6.401 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 587688766 NZMSTJXVTIYMKK-ZSMADZGOSA-N 461.766 5.218 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23c2ccccc2CCN3[C@@H](C#N)c2ccccc2)c1 963187106 HQSFSUSLGNRLEM-JDXGNMNLSA-N 499.010 6.225 50 1 JKGF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@H](Cl)c1ccccc1 40520435 MRCDCNKAWBERBK-OAHZSBPYSA-N 457.035 5.528 50 1 JKGF COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCc2ccccc2)c2cccs2)cc1Cl 66124587 GIBZAOFBSLISKF-OAQYLSRUSA-N 463.386 5.040 50 1 JKGF O=C(CBr)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586984012 FXABQNIHYPAQOH-UHFFFAOYSA-N 459.299 5.152 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3c(O)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057992 YPPGSNQKIRFWJS-GHXNOFRVSA-N 457.346 5.126 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324365 YBVATBIRHZBVFR-JBRSBNLGSA-N 485.349 5.968 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@H]2Br)[C@@H]1c1ccc(F)cc1 587375438 SKSHZQNECSRRJT-SJBKTWHCSA-N 459.336 5.557 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O 587423966 MGPJJAHKVYUXRL-YPMLDQLKSA-N 490.550 5.288 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1cccs1 587531799 MHBODDNGHARCGK-SANMLTNESA-N 454.035 6.387 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(I)cc1 587572907 XKZROWVXURDLDS-RXVVDRJESA-N 492.696 5.093 50 1 JKGF Oc1cc2cc([C@@]3(CCl)c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)cc3c2n1CCC3 962634472 HQXKAGBKSJDJPE-VIZCGCQYSA-N 484.043 5.522 50 1 JKGF COc1cc2c(cc1OC)[C@]1([C@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683436 YLDVIHVCEFOCFZ-RCZVLFRGSA-N 495.969 6.434 50 1 JKGF CC(C)(Cl)[C@@H](Br)CC[C@@](C)(Br)[C@@H](Br)CBr 1637291 VQJJUSUYXITRKY-OYNCUSHFSA-N 492.315 5.860 50 1 JKGF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(CBr)c2)CCCC1 13736865 SEEUFCOYSBFVRU-UHFFFAOYSA-N 471.483 7.462 50 1 JKGF CCCCCCCCCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 44031598 VTGIRCOZXQCYQR-GDLZYMKVSA-N 475.677 7.270 50 1 JKGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C#N)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 95592947 VKPIMMGEDIQMAJ-KAVFERFBSA-N 456.674 7.471 50 1 JKGF O=C(CBr)Nc1ccc(CCN2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1 169346301 RNEBLSDKNRCSLH-GGBSJPMNSA-N 483.450 5.027 50 1 JKGF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Br)C(C)(C)OC)[nH]c4c3)o2)cc1 586970605 CUQNXMSBJWPDRZ-QGZVFWFLSA-N 457.328 5.150 50 1 JKGF Cc1ccc2c(ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c32)n1 587054210 CZUZYQVFHWELBA-LDADJPATSA-N 472.379 7.198 50 1 JKGF COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587320065 DNBJUOBOSRALRP-GMAHTHKFSA-N 457.295 5.189 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)CC2=O 587462273 XBFVXYVEJAIBSG-VWLOTQADSA-N 451.906 6.019 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)nc2ccccc12 587877099 UGKHXJBHZCYPPM-UHFFFAOYSA-N 462.174 5.147 50 1 JKGF O=C(Cl)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963191899 ZVSCCYFTAJCBFP-SJKOYZFVSA-N 486.195 5.143 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C=C(C)CC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356768038 JEBJCDBLMSBFNC-ZYVKACNBSA-N 474.726 6.612 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC(C=O)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 169642014 VXZTXFXSMDRRRU-QROXQBBHSA-N 496.732 7.582 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)cc1Br 587322736 OCMVJMONJSXNPZ-VWNXMTODSA-N 489.768 6.404 50 1 JKGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587328788 VOJDGEWUGWQLSZ-XNMGPUDCSA-N 499.966 5.396 50 1 JKGF COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F 587337880 WEYSKWQANUXWRQ-NFBKMPQASA-N 475.285 5.328 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@@H](C)c3ccccc3)c1C)CC2=O 587458805 FPKVQYKVDOFQED-MYUZEXMDSA-N 451.994 6.472 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587673947 RVFXCFJFZRDXLN-NPMXOYFQSA-N 495.274 6.809 50 1 JKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587719671 QYNGRZGZDRVAMT-WLRWDXFRSA-N 493.161 5.671 50 1 JKGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCCCCC(=O)NN 587858947 QOBPYEDZGWUVTI-UHFFFAOYSA-N 455.386 5.007 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OC(F)(F)F)c1CCl 587892064 XIJSBVTXHNPMAT-UHFFFAOYSA-N 450.671 5.341 50 1 JKGF Fc1cc(Br)c(F)c([C@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)c1 963117270 YEWJWVPGYJLWSB-BFUOFWGJSA-N 475.146 5.525 50 1 JKGF O=[N+]([O-])c1ccc2c(ccn2CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 1857537997 PBFPGXFHLSVGCM-UHFFFAOYSA-N 465.513 5.934 50 1 JKGF CCCCCCN(CCC)NC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 1857550278 PBQSLUYWKMMNQB-ISLYRVAYSA-N 474.693 6.145 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CCC=C(C)CC[C@@H]1OC1(C)C 2356387041 FLUNPFSKRUNRAS-JJILFORISA-N 474.726 6.852 50 1 JKGF N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@H]1c1ccc(Br)cc1 103216949 DIKWFFMAOQJVDP-KOGVQQCSSA-N 498.355 6.525 50 1 JKGF C=C(C)[C@H](Cl)CC/C(=C/CC/C(C)=C\CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 238753160 AQCCYRBRVYHDDZ-BJBHUKSESA-N 459.026 7.346 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 299835098 KJMWENAFWHKSFP-HURDLCFYSA-N 476.661 6.358 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 587329568 DXLKAHVTRKJZLR-GGAORHGYSA-N 493.731 6.316 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587332352 KXVZOYRQYSPDFC-IRLDBZIGSA-N 479.704 5.973 50 1 JKGF COc1cccc(-c2cc(-c3cccc(NC(=O)C(C)(C)CCl)c3)nc3c2oc2ccccc23)c1 587358524 RNZUUMVEOWXIPM-UHFFFAOYSA-N 484.983 7.527 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539050 UTSPAABUAOHKEL-XUZZJYLKSA-N 464.315 5.434 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682838 DTDXAUNFPXWHIW-OWJWWREXSA-N 496.848 5.836 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587685299 PMVGCPIUOWZDPH-HOGDKLEQSA-N 458.158 5.445 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2Cl)N1 587723329 WZGODMIJPMSRTH-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Cl)N1 587843820 KMMCZCNQMONEFV-ANRSDYALSA-N 453.602 5.476 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)s2)N1 587846158 GXYMPXWNRKOTTC-QGHHPUGFSA-N 481.656 6.209 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23c2ccccc2CCN3[C@H](C#N)c2ccccc2)c1 963187101 HQSFSUSLGNRLEM-DGPALRBDSA-N 499.010 6.225 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1CCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356761615 RQLMZJMQAUSPIT-HFSBEXJSSA-N 472.754 7.577 50 1 JKGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(F)cc1 45357158 QCFUUKMJPOATSO-LUOAPIJWSA-N 450.823 5.709 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 64446488 NFNFVIZTHQMHJC-MCEGXLGASA-N 477.604 7.823 50 1 JKGF O=c1c(-c2ccc(OCCCBr)cc2)coc2cc(OCCCBr)ccc12 96927394 RLGJWBKEIGLVHY-UHFFFAOYSA-N 496.195 5.788 50 1 JKGF CCCCCCCCCCCCCCN(NC(=O)COC)C(=O)CCCCCCCCC 96940447 SVSXISFILAPXOR-UHFFFAOYSA-N 454.740 7.334 50 1 JKGF C/C(C=O)=C1\CC[C@](C)(O)[C@@](C)(CC/C=C(\C)CC/C=C(\C)C[C@H](O)[C@H]2OC2(C)C)[C@@H]1CCCO 238754499 MDMHPISVCFYXMN-BRZXFTPQSA-N 490.725 5.823 50 1 JKGF C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4)C(C)C 255200027 BJONRBZQRQKREG-AMKNCNQKSA-N 470.694 7.189 50 1 JKGF COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O 299846587 VJVIFHBSLBEDDT-ZZLFSMTOSA-N 482.649 6.531 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 587379597 YXDLQVZSOQJCNG-BDYUSTAISA-N 496.003 6.553 50 1 JKGF C[C@@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537817 KONBYSFVTNEPQI-OFNKIYASSA-N 455.304 5.043 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCCBr)N1 587674316 WABMRLIFGGTWJY-BUXKBTBVSA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587681745 AJXHXLRYJCXUHJ-MQJDWESPSA-N 465.750 5.309 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H](Cl)CCCCCCCCC[C@H]2Cl 587702577 DRIKZRLAFKBHLM-JSNMRZPZSA-N 465.278 7.057 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]2(CCl)c1cc(C)n(C(c2ccccc2)c2ccccc2)c1C 963012969 RWDPFHKJADHMSM-LJAQVGFWSA-N 475.101 7.049 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccc(F)cc2)cc(C(F)(F)F)c1 1857652177 DSSCDTGLMNGESA-UHFFFAOYSA-N 458.883 5.392 50 1 JKGF CC(C=O)=CC[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356325525 YFYWSGKZEZRVCN-MGRRESPMSA-N 456.711 6.629 50 1 JKGF CC(=O)O[C@@H]1C(C)=C2CC[C@](C)(Cl)[C@H](Br)C[C@]2(C)[C@H](C)[C@H]1Br 2356503540 LCWJRZIFKUXWLD-IJDVMUIZSA-N 456.646 5.599 50 1 JKGF CC1=C[C@@H]2c3c(c(C(=O)NC[C@@H]4CC[C@H]5C[C@H]4C5(C)C)nn3CCCCCCl)O[C@@H]2S1 2356543668 QKKYERABQUMCPY-RJYKNLHPSA-N 464.075 5.547 50 1 JKGF N#C/C(=C\c1ccccc1Cl)C(=O)NCCCCCCNC(=O)/C(C#N)=C/c1ccccc1Cl 13676764 QDLLSAUPGXUKBW-YHARCJFQSA-N 495.410 5.300 50 1 JKGF Cc1ccc(CC(=O)c2ccc(CC(=O)[C@@H](C)Cl)cc2)cc1Cc1nccc(-c2cccnc2)n1 96177466 FSYWOHPACGDSLH-HXUWFJFHSA-N 483.999 5.602 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc3ccc(O)c1c23 586987163 UCHGBJOXCHKZIH-HNNXBMFYSA-N 484.271 6.248 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(COc2ccccc2)[C@@H]1c1ccc(F)cc1 587321117 IJWYSLOTTLXLMK-GGAORHGYSA-N 457.295 5.103 50 1 JKGF CC[C@@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496417 CTDIUGLONARNDD-BHBYDHKZSA-N 475.028 7.238 50 1 JKGF O=C1C[C@](CBr)(c2cccc(I)c2)Oc2c1ccc1c2CCCC1 587504739 KYFYUAQJEBUCMY-FQEVSTJZSA-N 497.170 5.426 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671042 ODOQUODDCRFSSY-ALHNEKMOSA-N 498.234 5.498 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672226 FEZNAYWXVMDJEE-SPLOXXLWSA-N 484.251 5.607 50 1 JKGF COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587688320 LHDNNJVEEOGQAZ-SHACYNPGSA-N 491.832 6.021 50 1 JKGF C[C@H](Br)[C@]1(c2c[nH]c3ccccc23)c2ccsc2CCN1Cc1cccnc1 962995214 MNRCLGXMHAAOLQ-QMHKHESXSA-N 452.421 5.710 50 1 JKGF COc1cc2c(cc1OC)[C@@](CCl)(CC(C)(C)C1CC1)N(C(=O)c1ccccc1N)CC2 963149357 URZFPTWKWSOKBU-SANMLTNESA-N 457.014 5.245 50 1 JKGF CCCCCCCCCCCCCC[C@]1(CBr)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963612576 SLMFCVHKWCUBIG-WXVAWEFUSA-N 496.574 7.919 50 1 JKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N(C)C)c3ccccc43)[nH]c2c(OC)c1OC 5581555 JYLCAMDFFFVDAY-MRXNPFEDSA-N 493.991 5.396 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 13834908 ICFOPLOPLNRVLF-GBAXGDPSSA-N 477.689 7.112 50 1 JKGF N#Cc1ccc(C(F)(F)F)cc1/N=N\N(C(=O)CCl)c1cc(C(F)(F)F)ccc1C#N 100987062 ORMPMFMRLNBBRW-ZIADKAODSA-N 459.737 5.738 50 1 JKGF Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320228 FBLADRYKYYOYJQ-FYYLOGMGSA-N 490.756 5.759 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1 587329339 XVLPCVLKEFTHSX-CZVUXVKSSA-N 454.969 6.474 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587333045 UWYATZGUUVGEQK-IRLDBZIGSA-N 450.815 6.043 50 1 JKGF C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538550 PLVLVROMCSLRJT-HXDIBALQSA-N 483.402 6.092 50 1 JKGF CC(C)c1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587689896 XRMKDOIRZDERMB-JRLRZGBRSA-N 466.866 7.240 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 587859878 YOKOBOFINIYDOG-STYXZAMGSA-N 464.791 5.474 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@@](CCCCCCCl)(c2ccccc2Cl)N1)C(F)(F)F 962775990 ZRGSXOBYDHDJJJ-IRLDBZIGSA-N 458.351 6.419 50 1 JKGF CCCSc1nc(NCc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 66058925 DFFVHOAXGOUFSU-HXUWFJFHSA-N 472.445 6.574 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587024207 YOWLLFPIRIMMMK-UHFFFAOYSA-N 482.297 7.773 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324378 YDBLSCHZONBQCV-GMAHTHKFSA-N 457.295 5.189 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328872 WFJNSRZGMABRBJ-OZXSUGGESA-N 467.924 5.619 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr 587455412 BOLANZLWLCTLFB-FLVLUOKASA-N 486.244 5.643 50 1 JKGF O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 587499716 UXXDOKSDQOJUCC-AHKZPQOWSA-N 490.943 5.580 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C 587546760 XNYROAMGAZCYJK-UHSQPCAPSA-N 487.983 6.512 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552655 BOLOVBSVVGREGU-MIZPHKNDSA-N 491.740 5.911 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 587672501 GJFOLWWUNSZHMZ-LHSJRXKWSA-N 482.235 5.361 50 1 JKGF ClCCC[C@@]1(c2ccccc2Cl)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831532 GZFZHCKMGHHPQX-MHZLTWQESA-N 465.424 6.809 50 1 JKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356476371 CKYPHBIOFUNLLX-RULDIGERSA-N 470.694 5.998 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1CCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356761616 RQLMZJMQAUSPIT-LIUKAWEGSA-N 472.754 7.577 50 1 JKGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(C(F)(F)F)cccc12)c1ccccc1 40584477 RNMPWSVBGGMIMS-UHFFFAOYSA-N 495.457 5.847 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334743 PTWNFXVCGRLRLW-STUMBDSJSA-N 495.266 5.986 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587539703 XOKPDLWGTZFCLE-WVRMYWEISA-N 485.330 5.050 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C 587541921 DTPKUZHLKOLLNR-ATIYNZHBSA-N 483.948 5.274 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 587676586 HOMGKIQRAHQGSM-IUPYPOTJSA-N 493.218 5.098 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(CBr)c1 587874748 FYDVPFJNPASWJI-UHFFFAOYSA-N 490.022 5.361 50 1 JKGF COc1cc2c(cc1OC)[C@@](CCl)(C1CC1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679023 OZFONEKPVFCVOF-JOCHJYFZSA-N 453.888 5.265 50 1 JKGF Fc1cccc([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963830913 DSTAIGVSCNIBCI-RUZDIDTESA-N 465.366 5.670 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 58650203 SAAHLUQXYDKDNX-HUHZZDJHSA-N 496.663 7.130 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299814944 NBQKNTHBFZEQQO-HAUCMDCVSA-N 479.705 7.047 50 1 JKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 299867257 QAGILAWDKXYSMJ-SMIHKQSGSA-N 497.551 5.947 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1 587319837 DDHVOFJDJDXYST-UNMCSNQZSA-N 496.159 6.487 50 1 JKGF Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl 587324142 WIILDDMPNLUGPW-GGAORHGYSA-N 475.741 6.142 50 1 JKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324382 YFDSCILFJQJXIN-VJTSUQJLSA-N 469.350 6.205 50 1 JKGF COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587327616 QKRSZGJIITXEMY-AHWVRZQESA-N 485.939 5.006 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 587372763 GGCNNMZCBVWGPW-AZUAARDMSA-N 467.743 5.896 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@H](C)c3ccccc3)c1C)CC2=O 587458786 FPKVQYKVDOFQED-CLYVBNDRSA-N 451.994 6.472 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542546 HKWPHNJZRYYOQJ-LVXARBLLSA-N 465.933 5.473 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545361 RASRPWMBBYCZAJ-YIXXDRMTSA-N 450.962 6.566 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OC=C2OCc1ccccc1 587548845 YDZKWLUPDLOLDA-ZEQKJWHPSA-N 462.885 5.304 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 587724286 GQDJULKNWSKPRZ-RSULWSAWSA-N 493.617 6.136 50 1 JKGF CCOc1ccccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587779730 GBSKOZGOUCWDTL-UHFFFAOYSA-N 473.261 6.961 50 1 JKGF COc1ccc2c(c1)[C@@](CBr)(c1ccc(C#N)cc1)N(Cc1ccc(F)cc1)CC2 963300864 INPPYICTUKWQEB-RUZDIDTESA-N 465.366 5.403 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(=Nc2ccc(C#N)c(F)c2F)[nH]c2ccsc12 1857560703 NQDGJKICENNXNF-ONEGZZNKSA-N 459.481 5.953 50 1 JKGF O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc([S@](=O)c2ccc(O)cc2)cc1 1857649454 AEVACEZQFUWZJX-LJAQVGFWSA-N 463.449 6.469 50 1 JKGF CCCCCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751875 FMKMQFIKMYUGQM-UHFFFAOYSA-N 481.811 6.378 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]3(C)CC[C@]23C[C@]13CCC(=O)O 2356433594 OGLJBMBPKNBOON-MAQVLFJCSA-N 468.678 6.787 50 1 JKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C 2356632751 RGRCZGBEYSJVDE-LBCMIMDZSA-N 471.711 5.337 50 1 JKGF Cc1ccc2c(CCC(=O)O)c(SSc3[nH]c4cc(C)ccc4c3CCC(=O)O)[nH]c2c1 13832600 FBTLWPVPMRFARV-UHFFFAOYSA-N 468.600 6.100 50 1 JKGF O=C(C[C@H]1CCSS1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 40846075 MFUUYCMEELSIJK-OAHLLOKOSA-N 461.410 5.618 50 1 JKGF CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N/N=C/c2ccccc2O)cc1 40863343 JGZQWVDBFWRPIT-OCSSWDANSA-N 487.003 6.019 50 1 JKGF CCCCCCCCCCCCCCCCOc1ccc(/C=C/C2=[N+](CCCl)CCO2)cc1 73369196 LWLFLQZVCSUNGI-DYTRJAOYSA-N 477.153 8.240 50 1 JKGF CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CC(=O)N2CCC(C)CC2)c2ccccc12 95593974 BIVUHNSDMXTICZ-LYBHJNIJSA-N 476.665 5.592 50 1 JKGF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)o1 586923744 UCONHQHZPNNUKK-UHFFFAOYSA-N 494.467 5.807 50 1 JKGF CCN1C(=O)C[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060664 CFCVQJYLBSHLMK-ACJLOTCBSA-N 465.875 6.951 50 1 JKGF CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331971 QLDNDEXWSVLUCJ-PDKNCWFGSA-N 462.908 5.408 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 587334536 OZIZAJDOMGBASN-JTHBVZDNSA-N 475.285 5.328 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(F)c2F)[C@@H]1c1ccc(F)cc1 587339335 YVCFLDQTYCBEED-KNQAVFIVSA-N 463.249 5.459 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N=Nc3ccccc3)cc1)O2 587370464 BRMKLBJTKYHHTA-QHCPKHFHSA-N 450.336 6.248 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2O)N1 587672040 CPEHGYPIWYJUAR-XLFHBGCDSA-N 463.572 5.120 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 587685240 OQZJERBLEIJLAG-YEJXKQKISA-N 453.783 5.343 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 587852082 JYXWISOWSNKUPG-QNYJKUAFSA-N 496.858 5.688 50 1 JKGF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356542483 SZLWSWKRZSAHBC-DSWQCVPHSA-N 484.885 9.660 50 1 JKGF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356628875 JHCXJIRLSJUGJL-DEYHBHQDSA-N 463.102 5.778 50 1 JKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2n1NC(c1ccccc1)=C(c1ccccc1)S2 28826934 CIBYULXUPNERCM-UHFFFAOYSA-N 480.018 5.668 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1ccc(C(F)(F)F)cc1 254200979 SATSVPAVQNGNHE-UHFFFAOYSA-N 468.504 5.498 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3c(F)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056993 SVXXDVXUKWFUAD-NTUHNPAUSA-N 460.727 6.529 50 1 JKGF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587167222 IOIDXUAFIFFIFZ-MRXNPFEDSA-N 450.408 6.728 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587700288 AFIJTIUHOJUWLH-LANCPOTRSA-N 482.674 5.509 50 1 JKGF Fc1cccc2c1[C@](CBr)(c1ccc(Br)c(F)c1F)N1CCC[C@@H]1C2 963108734 YBCCOEIWFQYPAX-BLVKFPJESA-N 475.146 5.525 50 1 JKGF CC(C)=CC[C@H](C)C=CC[C@H](O)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356424047 PAQLRHWWLDIBHD-KHFKTTBFSA-N 474.726 6.468 50 1 JKGF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@@H]4[C@]3(C)CC[C@@]35OO[C@@H](CC(=O)C3(C)C)[C@]45C)[C@@H]2[C@@H]1C 2356428517 OCQVIAYBPXDENN-KPAQKGFGSA-N 470.694 6.267 50 1 JKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@](=O)c2ccccc2)=N1 34802440 KMIWFCOEGVYEOS-CBRWNTNRSA-N 488.531 6.044 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 36089194 ICFOPLOPLNRVLF-PZEVSAETSA-N 477.689 7.112 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3cc(Cl)cc(Cl)c3)CC2)OO1 43967571 OTOSONGNEXTYRO-QLADNINMSA-N 496.434 7.772 50 1 JKGF COc1ccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3ccc(OC)c(F)c3)c2)cc1F 95559781 MSJXMZCZRQUBDN-UHFFFAOYSA-N 452.284 6.058 50 1 JKGF C[C@H](Sc1ncccn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586963056 XRDFPWCCYWTNPG-ZETCQYMHSA-N 461.279 6.626 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(Cl)ccc(Br)c1F)[C@@H](C2)C3=O 587427283 RVZQUOFIGZOSGF-XTZNXHDOSA-N 490.550 5.288 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1c(Cl)ccc(Br)c1F)[C@@H](C2)C3=O 587427284 RVZQUOFIGZOSGF-YPMLDQLKSA-N 490.550 5.288 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccccc12)[C@H](Cl)c1ccccc1 587543134 JDWXVBOQHJQKSR-RFYMFKDESA-N 481.935 6.711 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(Oc3ccccc3)c2c1 587617793 JXRHGTGWUPNFBH-UHFFFAOYSA-N 487.921 5.417 50 1 JKGF COCCCN1CCc2ccc(OC)cc2[C@]1(C1CC1)[C@H](Br)c1ccccc1F 961324792 OJTDHUYVANDADA-DNQXCXABSA-N 462.403 5.470 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c(C)n1[C@@H](C)c1ccccc1 963005320 HUPMAJDYTOIWIU-RBTNQOKQSA-N 476.089 6.711 50 1 JKGF Cc1nn(-c2ccccc2)c2nc(-c3ccc(C#N)cc3)cc(C(=O)N/N=C\c3ccc(F)cc3)c12 28641109 WQUQRTCYIZSLFZ-LJUMEUDFSA-N 474.499 5.171 50 1 JKGF COc1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c2ccccc12 28641394 RMQGWNLHNJXPEH-HNSNBQBZSA-N 489.619 6.628 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53293400 GLUCKWKLAVSGBT-FCHUYYIVSA-N 460.946 5.095 50 1 JKGF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587121236 YRQIQEYQDHHXIV-UHFFFAOYSA-N 487.376 5.644 50 1 JKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554477 DLCOFVAPGASKIS-SAWWVNKFSA-N 461.258 5.311 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 587674650 YLLKVVYABRENKU-LRTDBIEQSA-N 467.220 5.640 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682651 DENRZXAHAWLLMK-NPMXOYFQSA-N 450.823 6.653 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587687310 ZWIRISGSEVLZGC-LZVRBXCZSA-N 471.153 5.710 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587690154 ZOVUYOPJRJHOSU-BSGVFPLJSA-N 479.821 6.053 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587707994 ZDQPQEATNVPKRP-KTTLUUMZSA-N 464.684 5.370 50 1 JKGF ClC[C@@]1(c2ccc(I)cc2)c2ccsc2CCN1Cc1ccco1 962711586 UBHWKKXHWQOTSV-LJQANCHMSA-N 469.775 5.486 50 1 JKGF CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(CC=CC(C)(C)OO)[C@@H](C=COC(=O)C=C(C)C)[C@]32O1 2356625199 DIEFFKCJCDUOGU-UQCWTDEESA-N 462.583 5.097 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(C(F)(F)F)cc3)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38152983 LIRMRMPTCHYOPM-KGMQJHTOSA-N 456.501 5.209 50 1 JKGF CCOC(=O)NC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 101343374 OACREECPZNMZEK-NVQSTNCTSA-N 498.343 5.839 50 1 JKGF CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OCc3ccccc3)OO2)C(C)(C)CCC1 138984701 UIDHZKHZBWBCMB-DNMSSEQISA-N 482.705 8.269 50 1 JKGF CCS(CC)(CC)C[C@@H]1CCCC2=CC[C@@H](P(=O)(c3ccccc3)c3ccccc3)C[C@@H]21 263606301 QSMSZCUPJSORMZ-OYFGVDPJSA-N 468.687 7.370 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084697 RKLJSOBYZQMPDP-UHFFFAOYSA-N 474.680 7.111 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587326059 JKTHTGJYYYZWMK-IFMALSPDSA-N 451.708 6.331 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 587327987 AEFAMKATXFWXMU-UGKGYDQZSA-N 481.239 5.598 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@H](C)Br)CC2=O 587456597 RVAIEZNWGFAQSQ-FKIZINRSSA-N 468.185 5.751 50 1 JKGF O=C1C[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510788 YKNLUICDMSMTHD-FQEVSTJZSA-N 473.716 6.493 50 1 JKGF CC[C@H](C)c1ccc2[nH]c(CI)c(N3C(=O)c4ccccc4C3=O)c2c1 587640067 BLVWRGZQBJRVMT-LBPRGKRZSA-N 458.299 5.417 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587673554 OEUQCTXBRICHRQ-NYHFZMIOSA-N 496.262 5.751 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587688645 MUCXNYCSTOONED-CQLKUDPESA-N 472.012 6.477 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 587844889 CNPWIQNJVOOROI-FKIZINRSSA-N 496.243 5.884 50 1 JKGF CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C(C)(C)C)c1O 587920886 PQNCPCOSHNXLDO-VCHYOVAHSA-N 451.035 7.828 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1coc2c(CCl)cc(Br)cc2c1=O 963234733 VPRBWHZNSOHSMC-SPLOXXLWSA-N 460.799 6.040 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3=O 2356467811 GKUSRUNEHWJUSA-MQRLBJEXSA-N 472.710 7.126 50 1 JKGF COc1ccc(/C=C2\CC[C@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc1OC 1652467 NHTZNOQMXDOAAM-MSPRPXPNSA-N 474.557 5.081 50 1 JKGF CC(C)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(O)c(C(C)C)c1 586896915 UNTYURWTFIEQIO-UHFFFAOYSA-N 499.343 8.602 50 1 JKGF O=[S@@](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 586959604 KKVHBVJXNFNGCT-PMERELPUSA-N 472.504 7.259 50 1 JKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586973220 GWRQGPQYRLJSRE-VIFPVBQESA-N 478.106 6.271 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 587325758 HBELRPXAHCWXOB-RPLLCQBOSA-N 479.935 5.644 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)CC2=O 587462308 XSIHXAVVUXADIT-MUUNZHRXSA-N 464.005 6.340 50 1 JKGF O=C1C[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)Oc2c1ccc1c2CCCC1 587498599 IPUQOKWEAMKQGX-HHHXNRCGSA-N 459.383 6.392 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Cl 587615592 YTJXXLVSWRBEEZ-KXBFYZLASA-N 451.725 5.359 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 587737330 XCLRGCVDBHYGDK-BSEYFRJRSA-N 493.823 6.211 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962720013 ZNDWLDIMMRNEQS-HFZDXXHNSA-N 475.073 6.191 50 1 JKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccc(C)cc1 1857620789 HBGDVZIIODMQJO-AKQFGKIESA-N 464.610 6.045 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356434855 GXIUUQNLOQDGBR-KOEHIPAVSA-N 474.726 6.774 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 169356060 SAAHLUQXYDKDNX-OKKKAGAFSA-N 496.663 7.130 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587323822 UOPGJFRMNYVFEX-IRLDBZIGSA-N 461.714 5.834 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 587329975 ZCUPOXCQLRPEFM-UHSQPCAPSA-N 484.910 6.117 50 1 JKGF CSc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1NC(C)=O 587377718 SPTIAACMBCLVJF-UKILVPOCSA-N 485.964 5.705 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cnn(-c3ccccc3)c1C)CC2=O 587455539 CPTMFRHZJPQRBN-HSZRJFAPSA-N 455.352 5.094 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C3CCCCC3)cc1)CC2=O 587456045 JGTZKYYOXQQLCA-VWLOTQADSA-N 457.408 6.648 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(Cl)c1 587539006 TZKLIEABULRJLJ-GHTZIAJQSA-N 480.141 5.951 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587709998 DNPOREAGCHOXAR-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF CSc1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587846683 QPZKXVCUZXQHAP-ZMZPIMSZSA-N 459.222 5.483 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O)CCC=C(C)CC[C@@H]1OC1(C)C 2356387043 FLUNPFSKRUNRAS-RGTFROLJSA-N 474.726 6.852 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356445734 MBNLFFHRULJOPH-BSLQLIBWSA-N 486.737 6.325 50 1 JKGF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@]34CC[C@H]5[C@@H]6OO[C@H]6CC[C@]5(C)[C@H]3[C@H](OO4)C(=O)[C@]12C 2356625808 AMDQNMUODBOOSA-KPSSFXPVSA-N 458.639 5.681 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 2356667180 KICRJBQYQISQJK-DHMZUTBSSA-N 458.727 6.709 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@@]34C)[C@H]12 2356804465 QFMLBJPCQONEAF-YZXNYJNOSA-N 486.693 5.241 50 1 JKGF Cc1cccc(P(CCP(c2cccc(C)c2)c2cccc(C)c2)c2cccc(C)c2)c1 43242455 UKUUBCNAEWDBHU-UHFFFAOYSA-N 454.534 6.486 50 1 JKGF CC1=C(CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)OCc3ccccc3)OO2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 135957797 IODNQAVLYBTAGS-BKCNHHOMSA-N 482.705 7.958 50 1 JKGF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 587030249 BWXIIOIFZBLWEW-UQDQQJHMSA-N 496.552 7.347 50 1 JKGF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587159252 OCQWIGAGXNEFJP-UHFFFAOYSA-N 458.427 7.626 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324120 WCJVINPWCZYGKW-PPYUERFYSA-N 455.323 5.878 50 1 JKGF CCCc1c(O)ccc2c1OC1(CC2=O)[C@@H](Br)CCCCC[C@@H]1Br 587456596 RUWYEBIZQRYFLS-IRXDYDNUSA-N 460.206 5.540 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C)ccc1OC(F)F)CC2=O 587466494 OAXPZQTXFCWZFN-NRFANRHFSA-N 455.295 5.510 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 587541876 DQBMERHAFJUEHF-SVEHJYQDSA-N 481.935 6.636 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)s2)N1 587846149 GXYMPXWNRKOTTC-BMLIUANNSA-N 481.656 6.209 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1 1857650729 JYMJQJAGSKZBSN-UHFFFAOYSA-N 494.863 6.594 50 1 JKGF CCOC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587056819 RWGJACIWDMTXCW-WOJGMQOQSA-N 479.367 6.518 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323412 REJJXWAYMPKBEN-AOYPEHQESA-N 483.377 6.379 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O 587461147 PRVFRAWPBLNSND-MHZLTWQESA-N 481.976 5.623 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O 587461819 UKUGMZBQAFDBAI-BKMJKUGQSA-N 473.997 5.424 50 1 JKGF C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587501137 WEOKZLHGWNUJAZ-CLMCDVRKSA-N 482.256 5.864 50 1 JKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](CCl)(Cc1ccc(F)cc1)N2C(=O)OC(C)(C)C 962703346 GMXAVJDVJGJAFA-FTJBHMTQSA-N 491.962 5.293 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(-c3ccc(Cl)s3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772579370 OWYXRTXSAXDLSV-NRFANRHFSA-N 478.927 6.147 50 1 JKGF CCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320349 FNMOTTSOLUJMQR-ISKFKSNPSA-N 455.323 5.743 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCCN4C(=O)c1ccccc1)[C@@H](C2)C3=O 587421919 OFHBHHZIDLWVEJ-DWACAAAGSA-N 473.956 5.170 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 587458447 JDLFAXCIRJKLPW-HBIPHATFSA-N 489.955 5.364 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497376 CEFAQQDKGCSTPD-ZSEKCTLFSA-N 464.197 5.972 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 587503720 CLPZFHLXGDAOPD-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587616963 IDEYMHRHGAEQCN-RDPSFJRHSA-N 466.946 5.352 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(Cl)cc2)N1 587672187 DXQSGVREVUHVTQ-BLVKFPJESA-N 475.627 6.195 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@H](C)c1ccccc1 587690129 ZIAXIYGVNWHISN-XMJUDYLUSA-N 489.860 6.632 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587714514 ABXFXXIZPCMCFQ-BTDLBPIBSA-N 497.124 5.660 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 587733778 LYTRVINWPWIGEL-BSEYFRJRSA-N 493.823 6.211 50 1 JKGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CCCCCCl)(c2ccc(C(F)(F)F)cc2)N1 963238742 WFPUUQGEOOQTBR-VWNXMTODSA-N 476.926 5.895 50 1 JKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)NCCc2c(OC)ccc(Cl)c21 963256164 AUOZKKVCXMQLBS-YIXXDRMTSA-N 470.440 6.549 50 1 JKGF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCNC(=O)N(CCCl)N=O)c1ccc(O)cc1 29325330 XEPINZQVGNQGHM-VWNXMTODSA-N 461.990 5.651 50 1 JKGF [C-]#[N+][C@@H](C)C/C=C(C)/C=C(\C)[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC)OC 85598421 ZPVKYVUDKSAXRS-GKAJUAEBSA-N 465.675 5.788 50 1 JKGF C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)OO 255235520 MNBULVJBKRSNLP-MDAHNZKBSA-N 458.727 7.637 50 1 JKGF CCc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1CC 586879799 RKMFPMBHNXZCGX-UHFFFAOYSA-N 455.290 7.775 50 1 JKGF CC(C)Oc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009667 OWUDDVFPEBABDL-IBGZPJMESA-N 489.801 5.233 50 1 JKGF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)c21 587030473 FGIWQSGCQLBXAS-GFCCVEGCSA-N 459.509 8.179 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054326 FGMWGAUMHJGESN-AUWJEWJLSA-N 470.291 6.389 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O 587428132 WZVNCRIJVCSWOY-XTZNXHDOSA-N 490.550 5.288 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686427 VDDXGNUZHWJQSI-RNODOKPDSA-N 460.218 5.496 50 1 JKGF COCCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688360 LZJXLGOPAPNFII-YEJXKQKISA-N 457.815 5.060 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587740168 XAGGFIOPKSKZKL-QGHHPUGFSA-N 460.281 7.043 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21NCCc2ccc(F)c(C)c21 962298391 LLJPKWKTCUZRHD-ABYGYWHVSA-N 467.975 6.086 50 1 JKGF COc1cc2c(cc1OC)[C@H](CCCO[Si](C)(C)C(C)(C)C)N(C(=O)c1ccccc1N)CC2 963145761 VOBKOSBCOALIAI-QHCPKHFHSA-N 484.713 5.828 50 1 JKGF CC(C)=CCCC(C)=CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356805947 VLDCWRGHDGBLAQ-CWDLOFLHSA-N 473.451 7.466 50 1 JKGF N#C/C(=C1\S[C@H](/N=N/c2ccc(Cl)cc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 73331895 YJVNPNMWADWFFI-ZCFQLJRVSA-N 470.945 6.298 50 1 JKGF Cc1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(C)cc4)cc3)cc2)cc1 95547529 IAVXUWCIWAEICM-NAZWXXJZSA-N 452.648 8.604 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(-c2noc(CCCC[C@H]4CCSS4)n2)c1-3 299809151 IRSVAHXNDMRBLH-XUZZJYLKSA-N 491.726 7.135 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586973102 FLBBWEYKTYIFOF-SECBINFHSA-N 478.106 6.271 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 587050512 ORDKKKPYLCFUFE-UHFFFAOYSA-N 498.702 8.094 50 1 JKGF FC(F)(F)c1nn(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C2CC2)c1Cl 587116288 BSYSVMFPPFOYLA-UHFFFAOYSA-N 480.812 7.209 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)CC2=O 587457342 XVDHAQMXRZWVED-JCQPUDPBSA-N 458.352 5.186 50 1 JKGF O=C1C[C@](CBr)(c2ccc(OCc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587497875 DNIUXQKYMZVRSQ-MHZLTWQESA-N 477.398 6.400 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587546912 YWKVXBJEWZHGCN-GJZUVCINSA-N 465.933 5.372 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587721868 QWXWRWLDHLLQNW-BMLIUANNSA-N 497.124 5.660 50 1 JKGF COc1ccc2c(c1)C[C@@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)CC2 587946057 IVPSZSBYHMSTHH-NSHDSACASA-N 483.300 7.264 50 1 JKGF N#CC(C#N)=Cc1cccn1C[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962713982 XRUVDFYAXDMMMZ-MHZLTWQESA-N 450.567 5.575 50 1 JKGF CC1(C)CC2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@]2(C1)c1ccc(F)cc1C[C@@H]1CCCN12 963110118 MMBHZAXTYQGEJG-TXOCWCCNSA-N 490.022 6.277 50 1 JKGF CSCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751758 RJQYVOBTASRANG-UHFFFAOYSA-N 471.797 5.160 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)[C@]1(C)O[C@@H]1CC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356475119 PWIUYVBRAXUOPC-KWKLTRBOSA-N 490.725 5.823 50 1 JKGF CC(C)=CC=CC(C)=CC=CC(C)=C[C@@H]1C[C@]2([C@H](O)O1)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356535660 GRUFCNNJWIBQMG-VDFIJDOYSA-N 484.677 5.500 50 1 JKGF Cn1ccc(=Nc2ccc(C(=O)Nc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 377406477 PCODPPHBSUYYRG-UHFFFAOYSA-N 493.438 5.947 50 1 JKGF Oc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 586897779 JJEGADYLWQJREM-UHFFFAOYSA-N 491.279 8.022 50 1 JKGF Cc1ccc2c3c(cc([C@@H](Br)Cc4ccc(F)c(F)c4F)nc13)-c1ccccc1C2=O 586995528 LWJOVDSNFGZIKS-SFHVURJKSA-N 482.299 6.851 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320960 HQSIBBRGWIXFAV-VKCVVMHYSA-N 475.741 6.223 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 587328111 SYWANUCNHAKVPJ-GGXMVOPNSA-N 484.910 6.117 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)cc2F)[C@@H]1c1ccc(F)cc1 587329941 FXJNETZLYBSXSB-IFMALSPDSA-N 481.239 5.598 50 1 JKGF Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587330798 ILJDJLQPJOSQFC-GMAHTHKFSA-N 459.286 5.628 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)CC2=O 587457900 DABWYLDCOHIMDA-AOYPEHQESA-N 494.931 5.360 50 1 JKGF O=C1C[C@](CBr)(c2cccc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587504753 JYDPELWIGDLTON-FQEVSTJZSA-N 455.270 5.720 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587538075 MZFVVCONXZSEPH-JOGUKUGOSA-N 473.750 5.995 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(I)cc1 587572903 XKZROWVXURDLDS-GHTZIAJQSA-N 492.696 5.093 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl 587683388 GRGQZFUDWUHRIN-LLVKDONJSA-N 492.087 6.040 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@](CCCl)(c1cccc(F)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962617263 BVJAMJOOUWHOQD-SQJMNOBHSA-N 475.944 5.147 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(c1ccccc1)[C@H](Cl)C(=O)Nc1ccccc1 963269937 MYPNAZYRTRPXPO-ISKFKSNPSA-N 469.810 5.427 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCc4ccccc4)cc3)(C(F)(F)F)C2)cc1 1772583739 GWYUTJRXSWJAAZ-MUUNZHRXSA-N 490.525 6.262 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(C)C(=O)C1=C(C2=O)[C@@H](N=N)C(=O)C=C1O 2356843923 NQTFQLKDNBYGBP-WDIKJVDASA-N 489.012 5.493 50 1 JKGF CN(C)c1cc[n+]([C@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 95594685 KYTXECUUMFOJRX-JOCHJYFZSA-N 472.981 5.038 50 1 JKGF Cc1onc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076347 QJOLVKLVEVQYBJ-UHFFFAOYSA-N 465.831 7.416 50 1 JKGF CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320299 FGSBJUCYMOMCPC-LADGPHEKSA-N 484.321 5.139 50 1 JKGF CCOC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321297 IQTBCTFCFVTWQW-WIOPSUGQSA-N 499.332 5.357 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323288 JMPGTHOLVGZDLB-KBOJRLNKSA-N 454.881 5.040 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]2Br 587325784 ZGEISMAKSFNIFD-IJOSHRKSSA-N 459.355 5.849 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587332113 IYOQXXRNVVVFQX-GGAORHGYSA-N 459.286 5.710 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 587672628 GRGQWSUSGOQGQS-HUTHGQBESA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 587688225 JTRPJHULXMLFKA-ZRUHOGSISA-N 479.777 5.698 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2noc(C(Cl)Cl)n2)c1 587882424 ZHMHSOCOKLJJBF-UHFFFAOYSA-N 469.155 5.230 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)N1 962946180 KMOQOQOIFYZBGT-MYUZEXMDSA-N 482.455 6.644 50 1 JKGF FC(F)(F)c1ccccc1[C@]1(CCCCCCl)NCCc2c(Cl)cc(Cl)cc21 963102391 CURNADWYMLZYSE-FQEVSTJZSA-N 450.759 7.201 50 1 JKGF CC(C)(C)[C@]1(/C(C#N)=C\c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963190887 GGKXBAMVKBJTIX-MOXIRNLJSA-N 475.592 6.387 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccnc3)CC2)nc2ccsc12 1772642969 RTUZYZMEIYLNIT-HWKANZROSA-N 496.640 6.109 50 1 JKGF [C-]#[N+]COc1nc2ccc(OC)cc2cc1Cc1cnc(CCC)c2cc(OC)c(OC)cc12 1772656926 JVJKEHVXSPAIRT-UHFFFAOYSA-N 457.530 5.608 50 1 JKGF O=C(N/N=C/c1cccn1CCCN1CCCCC1)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857775106 IIPWQWXASGMWDZ-TWKHWXDSSA-N 485.592 5.140 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 2356498267 OTNMMCVDNMEIGO-YFDKKRJXSA-N 470.694 6.269 50 1 JKGF C[C@H]1C[C@@]2(CC(C)(C)OO2)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@]46CC[C@]3(C)[C@H]12 2356686869 WJZVKNGHNMFBJT-RZZYSJJJSA-N 470.694 6.856 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccc(C)cc1 13675441 RIRXINSSSSGINV-HSZRJFAPSA-N 462.981 5.551 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C 587325853 HBZWTZYHEXNJQB-SQHAQQRYSA-N 497.950 5.564 50 1 JKGF COc1ccc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332089 IPXUFLOXMIMWLH-GGAORHGYSA-N 475.285 5.328 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(F)c(Cl)c4)c1C)[C@@H](C2)C3=O 587427347 SRVVGRDEJPFWLR-UUOWRZLLSA-N 460.332 5.777 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685208 OJDSNXGHNDGZIR-PEBXRYMYSA-N 467.810 5.589 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711750 LSLFDICDVSJKIL-DYZYQPBXSA-N 481.125 5.780 50 1 JKGF COc1cc2c(cc1OC)[C@](c1cccc(CBr)c1)(C(F)(F)F)N(C)[C@@H](C)C2 962564439 GUFBPMJUCBNARR-RNODOKPDSA-N 458.318 5.281 50 1 JKGF O=C1c2ccccc2[C@]2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2ccc(CCl)cc21 962707113 KIKBGUWQVVKKQX-QPPBQGQZSA-N 489.852 5.019 50 1 JKGF O=[N+]([O-])c1ccc([C@@]2(CCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962962502 VVEPRRCCONVUSM-HSZRJFAPSA-N 482.930 5.918 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(-c3cccc(CC(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772606411 DBCDVNKPJCGLLK-RUZDIDTESA-N 496.489 5.059 50 1 JKGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2 13151897 BGFCFSUMQMMXNS-WBPROUHESA-N 479.001 6.836 50 1 JKGF COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)C(Cl)Cl)c2ncccc2c1 49710719 SWYCUGOWYUPUNN-KRWDZBQOSA-N 490.431 5.665 50 1 JKGF CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@]15CC(c1c(Cl)cccc1Cl)=NO5)[C@]42OO3 473152730 VUCCPXSMJANWAO-WYRHNONJSA-N 484.376 5.075 50 1 JKGF O=C1OC(=O)c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc21 586906738 PJWHXCHMQDEMOK-UHFFFAOYSA-N 469.185 5.960 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 587325292 DHTNEOCRQIXRMT-UKILVPOCSA-N 466.896 5.420 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587325871 HEWQHDAWSMBCMW-KCWPFWIISA-N 481.951 6.009 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325896 HLWDGEODDHANSC-WNCULLNHSA-N 481.951 6.009 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)c(F)c2)[C@H]1c1ccc(F)cc1 587339327 YUVGYXZOTFXVFO-SIKLNZKXSA-N 481.239 5.598 50 1 JKGF Cc1cc(C)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587497063 BUVOZZMWXXFECG-QFIPXVFZSA-N 478.224 6.200 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(F)c1F 587557841 PBRMFQQUUMSEDT-UTKZUKDTSA-N 465.221 5.062 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Cl)c2Cl)N1 587673809 QFEMAJVWUPQRLV-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587685222 OOGVXGJQLPDHFK-FATZIPQQSA-N 494.788 5.537 50 1 JKGF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl 587686750 XDKWMJJPHBTSJC-ASSNKEHSSA-N 456.783 5.402 50 1 JKGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1F 1772636257 IPRSNMLWTNXASL-GOTSBHOMSA-N 455.455 5.796 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5C[C@@H]5[C@@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356493882 JTWUHDUABHMRCG-ILGRYLJGSA-N 484.721 7.124 50 1 JKGF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356628876 JHCXJIRLSJUGJL-IAEWJPHXSA-N 463.102 5.778 50 1 JKGF CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356722168 ZNDFZMMMAFAVDM-PWUYWRBVSA-N 488.744 7.611 50 1 JKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802419 HGQUYUYVUYMWQJ-JSMIYBGHSA-N 490.503 5.321 50 1 JKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2)nc2ccccc12 49756773 IQXFUYFXCOQWBK-UHFFFAOYSA-N 479.411 6.830 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 84706748 UTUUDDODKUTNLS-ROUWMTJPSA-N 456.711 6.176 50 1 JKGF CCN(CC)CCC(=O)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 221782644 BMMKUBRYBPPBQF-UHFFFAOYSA-N 494.467 5.285 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054486 GCIAXZZWLOOTIE-QPEQYQDCSA-N 477.182 7.043 50 1 JKGF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587189572 CWLYNEDMLKXDMA-QGZVFWFLSA-N 463.472 7.177 50 1 JKGF O=C1CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 587322002 LAHJEDHMYJEHDW-ZCYQVOJMSA-N 496.332 5.065 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O 587493787 GQRQMJMUHFPLDS-HOYKHHGWSA-N 452.963 5.718 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587672142 DAOOZTBRYOHEQG-WNWIJWBNSA-N 497.033 5.650 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587690040 YYJCERKAKXIRMB-LFVRLGFBSA-N 461.806 6.012 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 587720110 MQOVXRBGZKTRTJ-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](Br)c2ccccc2F)N1 587727842 PMGKNISMFUUZPM-WFRWYCSKSA-N 471.183 6.003 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Br)N1 587847827 YQEXPTRFGKHURK-VXJOIVPMSA-N 498.053 5.585 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 587859876 YOKOBOFINIYDOG-GIQGCJHYSA-N 464.791 5.474 50 1 JKGF CCCCCCCCCCCCCC[C@@]1(CBr)c2ccccc2C[C@@H](C)N1CCC 963236675 GMVQYUSZVZIGSL-LEAFIULHSA-N 478.603 9.025 50 1 JKGF Cc1cccc2c1[C@@](CCl)(c1ccc3[nH]c(O)cc3c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841916 SOZSYEAHPVTVRW-NIYFSFCBSA-N 484.980 5.301 50 1 JKGF O=C1[C@@H](Cl)[C@H](c2ccc(F)c(Br)c2)N1Nc1ccnc2cc(Cl)ccc12 1772640433 AXQYJXLJKWRDKS-IRXDYDNUSA-N 455.114 5.308 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@]3(C)[C@H]2C1 2356495171 IJLWXMAZQWVPRJ-IXVZCXMISA-N 458.727 8.273 50 1 JKGF CC1=C[C@@H]2c3c(c(C(=O)NC[C@@H]4CC[C@H]5C[C@H]4C5(C)C)nn3CCCCCCl)O[C@H]2S1 2356543667 QKKYERABQUMCPY-OWHDLTKUSA-N 464.075 5.547 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 195518508 QUSFRWBCEGVWGG-RZCTXUQJSA-N 482.504 5.681 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586885493 VFJKZMWOKDTLQE-RVOMIOKESA-N 457.306 7.451 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319838 DDJDABRLIMLZLC-CDAVKZRYSA-N 481.361 6.058 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 587326286 KBTDGFXKLJRCEM-UKILVPOCSA-N 454.881 5.186 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)O2 587384772 PAAQVXPXYVKITK-YUZQFGPVSA-N 453.945 5.080 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 587542656 HZIRPIGINOSOLX-LSYYVWMOSA-N 489.955 5.535 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587550437 AWLSJZXIYDKWKT-XXBNENTESA-N 452.249 5.356 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685370 PTVJCQACTIMKMU-WAIKUNEKSA-N 452.839 6.728 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 587686295 CDXSSYUCMFOSKY-PUAOIOHZSA-N 489.860 6.266 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnc3cc(CO[Si](C)(C)C(C)(C)C)oc3c2)N1 962943858 DDJUPKIMUUXVHQ-VKGTZQKMSA-N 475.709 7.019 50 1 JKGF N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)[C@]1(CCC2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188282 AJMYZDWUSLYSNX-UMZKNKDHSA-N 484.603 5.951 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963194506 NAAMLMVWWCIOAE-SSKOMTKWSA-N 487.485 7.134 50 1 JKGF Cc1cccc2c1[C@](C1CC1)([C@H](C)Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842225 WAEHKQBOIJWFDC-WTBBCNCBSA-N 452.389 5.020 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1OC)C(=O)[C@@H](C)Cl 40973528 VTSHXSINHSWXOP-NIYFSFCBSA-N 480.008 5.178 50 1 JKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325131 WSWCOKWRGYWDIB-KXGNNRADSA-N 455.913 5.561 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@H]1c1ccc(F)cc1 587325467 FURKIZBYBBOJHV-YTMVLYRLSA-N 470.927 6.596 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587333515 WGLOAMOXLHKIST-IFMALSPDSA-N 495.266 6.199 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587433320 QLGURFCAPGEKBQ-MFCLUPKDSA-N 490.559 5.014 50 1 JKGF COc1ccc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587539215 UWTLYSOAKMVMRO-BVAGGSTKSA-N 491.337 5.806 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673687 PHYDOGDWGZOKRH-QKVFXAPYSA-N 494.202 5.724 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587687813 IHIWBNWFUXKYRI-MYYSRTQBSA-N 475.833 6.321 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587689961 YCYOEQHJKLZIBW-NPALWHDTSA-N 475.833 6.401 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587700286 AFIJTIUHOJUWLH-AHBCHLHISA-N 482.674 5.509 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@]3(CCCCCCCl)c1cccc([N+](=O)[O-])c1 963046968 NJIXPTBWMGDNQI-RUZDIDTESA-N 453.970 5.730 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299814945 NBQKNTHBFZEQQO-NNSPOHCASA-N 479.705 7.047 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1ccc(Cl)c(Cl)c1 299816473 AUXVKJNKJDOPAO-UHFFFAOYSA-N 469.397 5.786 50 1 JKGF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 587014164 HWICTKBVKQZDCE-QMMMGPOBSA-N 492.333 7.512 50 1 JKGF FC(F)(F)c1nn(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Br 587118316 LVFOKIHXRUPXIA-UHFFFAOYSA-N 485.198 6.441 50 1 JKGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587329054 WWCDDBMSMZBWNH-BVAGGSTKSA-N 479.891 5.292 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 587537470 FTBXNMIUYMCMPS-LSYYVWMOSA-N 499.360 6.215 50 1 JKGF Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl 587537546 HMGINJPSUGQDGH-UGKGYDQZSA-N 459.723 5.606 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCCBr)N1 587674317 WABMRLIFGGTWJY-CWTRNNRKSA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587682082 BEDBQLHNROCVQB-YTEVENLXSA-N 465.794 5.225 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689013 OQUKJXKNAAEKHM-BHIGOGECSA-N 471.798 5.115 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 587689166 QLMCXNFZCDEVIH-BIBXISHDSA-N 452.755 5.000 50 1 JKGF Cc1cc(C)c(C)c([C@@]2(CCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1C 963200739 RYDGFHHTSYBLSF-NQIIRXRSSA-N 460.323 5.674 50 1 JKGF CC(=O)OC(=O)[C@]12CC[C@H](C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 2356555191 LHQBHRRRKUSSIK-DQWPIEMASA-N 484.721 6.849 50 1 JKGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@]3(C)CC[C@]12CBr 2356592849 MLLBLQBCKASCLO-ZONMUQKMSA-N 462.266 5.120 50 1 JKGF CCOc1cc2nc(CCl)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC 13490822 YRJQRWYFLBAOCI-UHFFFAOYSA-N 454.983 6.342 50 1 JKGF CCOc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321652 KHFSXEDAOVREPE-UPVQGACJSA-N 471.322 5.579 50 1 JKGF O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543184 JUJARCMEKLOXNL-WNJJXGMVSA-N 499.950 5.865 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2Br)N1 587683268 WBXZKEKOJHZLNT-ZKANADHPSA-N 483.006 5.416 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689291 RMLGNMVGJZIBHC-IZHWHUGBSA-N 475.833 6.321 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587849348 SZKGVGBXPVWLOM-QKVFXAPYSA-N 487.866 5.329 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)c(C)n1-c1ccc(OC(F)F)cc1 963099422 PLDDGJWXPMFELX-CLQOQPCJSA-N 488.981 6.726 50 1 JKGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(CCCCN=C=S)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1772628671 HBICDQXTSMXINT-AQXIMQTBSA-N 471.688 8.017 50 1 JKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3cccs3)O2)cc1O 1772648467 XMSUZKDVTXOFFX-VWLOTQADSA-N 465.527 5.087 50 1 JKGF COc1ccc(N[C@]2(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 1857539912 AWDHRXBPSMEKSE-GNUDFCTQSA-N 457.489 5.248 50 1 JKGF C[C@@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857546504 HKTZWSOVZCTVCO-MRXNPFEDSA-N 481.430 6.845 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(C#N)cc2)C1=O 1857654160 AVLDLTYFCNCMQG-QFIPXVFZSA-N 473.573 5.505 50 1 JKGF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@@H](O)CC[C@]12C 2356420887 QXIPAZAGBRHLNR-VXQTWWTJSA-N 456.711 7.110 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)CC(C)=CCC1)C3=O 2356527849 JBVAFOMCWIFYSA-WDNCENIBSA-N 479.400 5.619 50 1 JKGF CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC(C=O)=C23)[C@H](O)O1 2356874239 YUCDKZUPUMMPGQ-ISYGPEPUSA-N 466.662 5.950 50 1 JKGF Cc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)o1 8019073 AMEKFZSDKNRZRL-HZFUHODCSA-N 484.536 5.100 50 1 JKGF CCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc(F)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 28641301 QQZNEALXONMKKO-MNBJERMJSA-N 493.542 5.698 50 1 JKGF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCOCCOCCOCCCl)c1ccc(O)cc1 29328340 QENLXBMZTNRANH-SXOMAYOGSA-N 479.057 6.008 50 1 JKGF Brc1ccccc1/C=C/CSSC/C=C/c1ccccc1Br 40402890 URDBKUCRECFQSG-NXZHAISVSA-N 456.268 7.320 50 1 JKGF CCCCC(=S)N(NC(=O)CC(=O)NN(C(=S)CCCC)c1ccccc1)c1ccccc1 103147603 NQJJXSPAMSZNOQ-UHFFFAOYSA-N 484.691 5.487 50 1 JKGF CC(C)C(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 253638434 QPGXVBIEYYWPND-UHFFFAOYSA-N 453.346 6.155 50 1 JKGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277231 RBIVRGJGLLESQQ-LPMFXHHGSA-N 472.439 7.263 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324620 RZRVBFKMGCKIBN-GACAWOKJSA-N 453.897 5.371 50 1 JKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CBr)CC[C@H]3C2(C)C)c1 587358411 DBBMLERQIPIURF-DWXRJYCRSA-N 462.387 7.207 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1cccc(Br)c1 587542513 YMYIUERDAUUOGE-UGKGYDQZSA-N 459.723 5.337 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587689562 UNIIJDDDTMLFIY-OKHZJLECSA-N 467.810 5.732 50 1 JKGF CSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccc(Cl)cc3)c2n1 653907633 SZYKMWKWJJORRW-QGZVFWFLSA-N 464.809 6.579 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)c1ccccc1NC(=O)C(C)(C)CCl 963604957 GEGAFVRIKMSCAZ-SLQAJWMNSA-N 493.047 5.733 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(c1ccc(F)cc1F)[C@H](C)Cl 963833281 UCABYFODHQTNJZ-ZCWUUALQSA-N 479.951 5.781 50 1 JKGF CC(=O)c1csc([C@@]2(CCl)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c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biogenic,in-vitro C=CCn1c(COc2ccc(CC)cc2)nnc1SC/C(O)=C(/C#N)c1nc2ccccc2[nH]1 102517433 RZULJYJONFBDGU-ZBJSNUHESA-N 472.574 5.067 50 1 JKGF aggregator CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(-c2noc(CCCC[C@H]4CCSS4)n2)c1-3 299809150 IRSVAHXNDMRBLH-URXFXBBRSA-N 491.726 7.135 50 1 JKGF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586890835 PJHNHULEVPPMNQ-HWPZZCPQSA-N 471.289 7.128 50 1 JKGF O[C@@H]1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586905170 YVQNMBGZVMMUKX-SMDDNHRTSA-N 455.246 6.552 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 587338761 VIKGZOUVTBAJKO-XCZPVHLTSA-N 493.937 6.571 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(Br)c1)CC2=O 587467968 VHUWXQODPJHQOI-LJQANCHMSA-N 472.148 5.502 50 1 JKGF COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684973 NFYGKAADZSWMSP-SBKAZYGRSA-N 454.723 5.065 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587687138 FWUYKPQECZHKCQ-WHEQGISXSA-N 465.794 5.664 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 587726474 IUXLGBOTXZDZFV-RSXSOOJNSA-N 493.617 6.136 50 1 JKGF CC(C)c1ccc(/C=C(\C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 587884133 GMOYRJBZZMUXJF-WGOQTCKBSA-N 487.430 6.891 50 1 JKGF CCOC(=O)c1ccccc1[C@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962662622 FFHJTDLYCKBYCW-RUZDIDTESA-N 450.376 5.315 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356628677 BDSKDSKGSUVYFT-NGDRWEMDSA-N 474.726 6.613 50 1 JKGF CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(=O)OC)cc1 8020325 TWXOQDGTUYIOBA-JEBMXCGPSA-N 489.596 6.640 50 1 JKGF O=C(N/N=C/c1ccc2c(ccn2Cc2ccc(OC(F)(F)F)cc2)c1)c1ccc(O)c(Cl)c1 13492734 SEOUCVXDVSSFGI-VFLNYLIXSA-N 487.865 5.711 50 1 JKGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1Nc1cccc(C(F)(F)F)c1 45348860 ZKDQWELWHDXHSA-KKMKTNMSSA-N 452.263 6.520 50 1 JKGF O=C(N/N=C/c1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 73297171 PYTJVMYMPURDSY-XKJRVUDJSA-N 486.309 5.342 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 84690780 HGXHYZGOSKSNTQ-SUXCAEKLSA-N 484.721 7.429 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 95580339 SAAHLUQXYDKDNX-WNUOPADZSA-N 496.663 7.130 50 1 JKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 194959146 YCWNSSLCHYTWSQ-IISNYHHCSA-N 478.557 5.045 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 587335305 QMPSKZFBUOGIHB-UNMCSNQZSA-N 479.704 5.926 50 1 JKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587501864 ZDXBICAJQKPNDQ-XMMPIXPASA-N 478.427 5.311 50 1 JKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587540055 ZPQVLFONPOXIQY-GBXCKJPGSA-N 465.299 5.699 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(Cl)ccc(F)c1Cl 587553065 DKGMKVRCYGZDJQ-UTKZUKDTSA-N 453.680 5.934 50 1 JKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(-c3ccc(Br)cc3)[nH]c2c1 587626260 RMVASIWALFDNHF-UHFFFAOYSA-N 456.611 7.374 50 1 JKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587673876 RAPWDODPTVXXHX-YBTHPKLGSA-N 467.176 5.816 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587683437 HCMFULMKFCHLDV-IQMFZBJNSA-N 452.839 6.683 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3sccc3c2)N1 587856848 JDCCFKGWINLHGR-NSPYISDASA-N 469.217 5.976 50 1 JKGF CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587959376 LUDSNBGYOCKPTP-KTKRTIGZSA-N 468.730 7.917 50 1 JKGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 653778051 HPKYZQVAOARAOL-CCVNUDIWSA-N 464.312 5.095 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc(Br)ccc1OCC[C@@H]2Br 962955221 XSJTZQLLYGCLDN-VQUVXCFPSA-N 490.239 5.644 50 1 JKGF CCCCCCC(C)(C)c1cc(OCCBr)c2c(c1)OC(C)(C)c1cn(CC)nc1-2 1857600184 ZJXZAWIOQMNPJK-UHFFFAOYSA-N 477.487 7.219 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC)CO[P@@](C)(=O)F 44418332 CDHQVIDRFGTHFA-DPYDXMLLSA-N 450.572 7.391 50 1 JKGF CC1(C)COC2(CCC(N[C@H]3CC[C@H](Nc4ccnc5cc(Cl)ccc45)CC3)CC2)OO1 102810555 TZTRMWSUUKFQAY-ODYYKVCPSA-N 460.018 5.597 50 1 JKGF Cn1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587320609 FWCOGSGDECJJOU-ILBGXUMGSA-N 480.333 5.672 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587326296 KLNSSWZPVJUEAH-FREGXXQWSA-N 497.953 7.173 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686909 YBRIPNYBZWPVJN-NIYFSFCBSA-N 494.920 7.898 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cc(Br)ccc2Cl)N1 962965255 ZWZPRXYOMGFWIL-ZUOKHONESA-N 482.647 6.147 50 1 JKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356476369 CKYPHBIOFUNLLX-PCPRHZMTSA-N 470.694 5.998 50 1 JKGF CC1(C)C[C@@](O)(C[C@@H]2CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@@H]1Br 147042799 WORGNGGMSOIQIY-UMTOMPLCSA-N 466.298 5.422 50 1 JKGF COc1ccc(NC(=O)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 299831780 RREZIWXYXARUDS-UHFFFAOYSA-N 470.573 5.178 50 1 JKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(F)c(Cl)c3)c(-c3ccc(F)cc3)c2C)ccc1O 473088725 JTPVXQAVPNXAQS-VFLNYLIXSA-N 496.901 5.257 50 1 JKGF Cc1ccc(-c2nnc(SCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)n2C)cc1 586965861 SPOWVYOEUMFAEU-UHFFFAOYSA-N 461.485 6.617 50 1 JKGF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 586972690 AFHHWTQIQQUHSM-NSHDSACASA-N 466.173 5.549 50 1 JKGF CCOc1ccccc1[C@@](N)(c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(F)(F)F 587093590 VJCHVKWFDZHJFJ-MRXNPFEDSA-N 461.378 6.384 50 1 JKGF C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541594 CJKNKCJXCPNHLD-NBGIEHNGSA-N 463.873 5.193 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccc(Br)cc1 587549025 WHMLMLXELHWLSY-SIKLNZKXSA-N 459.723 5.337 50 1 JKGF O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587628444 STHMPMWVZCKQOQ-UHFFFAOYSA-N 472.741 6.670 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2csc3ccccc23)N1 587858462 QVXSILGWFSYFNQ-WLRWDXFRSA-N 469.217 5.976 50 1 JKGF CC(C)=CC[C@]1(C)[C@H](Br)CC[C@]2(C)CC([C@@H]3Cc4cc(C(=O)O)ccc4O3)=CC[C@@H]12 2356801859 QXAUXPFZNRBTMA-ODXKGFOESA-N 473.451 6.951 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]34C)[C@H]12 2356804463 QFMLBJPCQONEAF-MTGJOFJASA-N 486.693 5.241 50 1 JKGF O=C(NNc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2)nc2ccccc12 49757248 UAPQNAXLVYKKQU-UHFFFAOYSA-N 494.426 6.334 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053877 ARXLMBLSYMPCOL-QPEQYQDCSA-N 461.274 6.759 50 1 JKGF CSc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609895 ARSVTESFVKMYMQ-UGKGYDQZSA-N 457.345 5.366 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685753 RPGDBTXNDJPPFO-ZSEKCTLFSA-N 453.783 5.343 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 587686347 UCHPVYVLVSITFC-FVINQWEUSA-N 471.153 5.233 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(I)cc2)N1 587737731 GWUNVIGTPGKVBX-QGHHPUGFSA-N 494.573 5.209 50 1 JKGF COc1cccc(C(=O)c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1 587932134 NRLMJUVDILSMBP-UHFFFAOYSA-N 454.420 7.127 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)([C@@H]3CCCc4ccccc43)N12 962673462 URNGRYYVTNDIJF-RCXJIHSJSA-N 479.418 5.044 50 1 JKGF O=[N+]([O-])c1ccc2ccn(CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 1857538162 DGFQNCBKOUKUFZ-UHFFFAOYSA-N 465.513 5.934 50 1 JKGF COC(=O)c1coc(Cn2cc(C[C@H]3C[C@H](C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)nn2)n1 1857544284 UKHYVGCZUNVLPD-WSTZPKSXSA-N 476.694 5.106 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356586427 ZLFOHASQVSADOU-JSRBVGTNSA-N 495.443 6.391 50 1 JKGF CCOC(=O)[C@H]1C(/C=C(\O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802404 LREMCCGOSRYIOI-VPXGEFMTSA-N 454.448 5.820 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 84687125 ULNVENSBPPQRER-NXBPGGDHSA-N 493.732 7.136 50 1 JKGF Cc1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905345 LQSHRMGYZZDHHM-NSHDSACASA-N 473.261 6.921 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055045 IXAREQLIZNKFLJ-VGOFMYFVSA-N 476.194 7.648 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)n1-c1cccc(Cl)c1Cl 587055094 JWCMXORLCYGYML-AUWJEWJLSA-N 487.293 6.663 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587325920 HXVJNJYKFXCOKI-IAPPQJPRSA-N 474.915 6.817 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@@H]1c1ccc(F)cc1 587329692 YVKZLZQNDFPBKT-OFNKIYASSA-N 457.288 5.554 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)CC2=O 587449368 ADZMVWIPAZBRMG-LJQANCHMSA-N 499.155 5.230 50 1 JKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587498352 NFWYVTPBAJTHAM-NDEPHWFRSA-N 464.005 6.471 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587687978 JFVLNYDNGBQZSK-PUAOIOHZSA-N 489.860 6.629 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C 587688611 MNHRKVFXAUUBPT-IPQOISQHSA-N 485.825 5.391 50 1 JKGF COc1ccc([C@]2(CCCCCCCl)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1OC 962568934 LUHJADBVNDMXOJ-UZTOHYMASA-N 476.057 6.030 50 1 JKGF O=C(N/N=C/c1ccccc1Cl)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 45347471 PCPWOSSCWXEMSR-VPUKRXIYSA-N 486.803 6.280 50 1 JKGF Cc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC(C=O)=C(n6cccn6)[C@@]5(C)CC[C@@H]43)C2)cc1 96933838 ULVAMRKRKVZJSM-DIUBKPNJSA-N 484.640 6.400 50 1 JKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)/C(O)=C(\C#N)c1c(F)c(F)c(F)c(F)c1F 100764801 ROOWYOSIJSFYCN-RQZLXBNYSA-N 454.395 5.311 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057194 UMBVJHGIOINNEH-QPEQYQDCSA-N 477.729 7.273 50 1 JKGF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](Br)C2 587320801 BGRFHMYSEIDXAH-AKFKNWHVSA-N 469.306 5.114 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 587688316 LGDRPPABMHTICR-OYLFLEFRSA-N 475.833 6.071 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 587689757 VSSKTFGHZYIDAM-XMHCIUCPSA-N 462.794 5.407 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1ccc(Br)c(F)c1 963279883 KOTMLKFSCSIUGG-KRWDZBQOSA-N 492.024 5.477 50 1 JKGF C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356495827 GUPQNHIGLNUBOG-FWWZNUBLSA-N 452.679 7.074 50 1 JKGF Cc1cc(N)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 43524559 VXWZEWQICYNSKD-UHFFFAOYSA-N 483.443 6.181 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101450958 CBXPZEBGBAGAJQ-LPUJSEJOSA-N 464.558 5.718 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(N)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053996 BHTKEXHZBDNZJR-CXUHLZMHSA-N 450.329 5.440 50 1 JKGF C[C@@H](Cl)C(=O)Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 587102456 TZKVEQUNTWCRNG-CQSZACIVSA-N 452.897 6.425 50 1 JKGF COc1cccc(-c2c(CCCl)c(-c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 587357322 GNFXHNGKKVZRRZ-UHFFFAOYSA-N 492.800 7.867 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1 587538124 NSAIKEWTJJNLJJ-RXVVDRJESA-N 490.147 5.407 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587546316 QFSUNINFYBPHBG-IGKIAQTJSA-N 492.911 5.312 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 587673808 QFEMAJVWUPQRLV-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 587715264 XSIRXQUWPZQHOX-ZMZPIMSZSA-N 459.306 5.599 50 1 JKGF COc1ccc(/C=C/Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c1 587929684 OPLGILYDUBQDCO-ONEGZZNKSA-N 499.299 7.256 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962626957 DPEUKPBDITXIKC-XXBNENTESA-N 469.931 5.789 50 1 JKGF C[C@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857574165 IJBOMAUJLRMIMS-INIZCTEOSA-N 497.429 6.724 50 1 JKGF CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@]4(C)O)C3(C)C)[C@@]2(C)CC[C@@H]1O 2356335509 BDNMFPOVAWCGRX-SZPRLWPOSA-N 490.725 5.201 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@](C)(COC(C)=O)C(=O)CC[C@]43C)[C@H]12 2356425771 RSWXPVPZBRSTKP-IEYLEYQLSA-N 496.732 6.955 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O 2356506323 ALBRPHJUQRKZLQ-MHTZZVINSA-N 454.695 6.837 50 1 JKGF CC1=C[C@@H]2c3c(c(C(=O)NC[C@H]4CC[C@H]5C[C@H]4C5(C)C)nn3CCCCCCl)O[C@@H]2S1 2356543665 QKKYERABQUMCPY-GIFQPEHOSA-N 464.075 5.547 50 1 JKGF CC(C=CC=C(C)C=CC=C(C)C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=O 2356706603 MZAJLFGIMGOSAG-UHFFFAOYSA-N 480.692 8.955 50 1 JKGF N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 96933492 RVBWZTPOQQKYOJ-RPBOFIJWSA-N 491.938 5.564 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518731 VWDQEBUKNUUKCP-DIJZJMTMSA-N 464.514 5.461 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998937 SOSLGTNQUDAFDK-UXBLZVDNSA-N 491.279 8.413 50 1 JKGF O=C(Nc1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1)c1cccc(O)c1 587019574 ONPSEACZTDOAIW-UHFFFAOYSA-N 476.452 6.226 50 1 JKGF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587160705 FOSULESXXRAIKA-NWDGAFQWSA-N 457.237 7.393 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322231 LTDSEOHUJSYAQW-PWJBXEHMSA-N 475.741 6.223 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587325449 FSXAQVQWCMLNGY-IXCJQBJRSA-N 475.947 6.432 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2cc(Cl)ccc2o1 587538073 MYOALEVGPAGWCM-REWPJTCUSA-N 485.717 6.044 50 1 JKGF COc1c(C)cc([C@]2(CBr)c3ccsc3CCN2Cc2cccn2C)cc1C 962372578 IYAXWKWVPFKJDT-HSZRJFAPSA-N 459.453 5.409 50 1 JKGF CCCc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963185066 KDMVPWCTGXPZNB-JXFKEZNVSA-N 490.747 5.549 50 1 JKGF CC[C@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI 45370476 RYRCDICIXHBQKE-HNNXBMFYSA-N 458.343 5.707 50 1 JKGF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586982995 SUTLNDDPZOCWHT-CQSZACIVSA-N 483.344 8.355 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321655 DTYUJPPMPGBODF-GACAWOKJSA-N 453.897 5.371 50 1 JKGF CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587422768 RUUVCIADPTYORO-LYZGTLIUSA-N 457.957 6.219 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587544521 NZEGGDJADCHQPJ-XECDKEEKSA-N 473.956 6.284 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 587688742 NTFIAASQSDCJLZ-XQLUGIRFSA-N 483.812 6.827 50 1 JKGF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587783855 BAPZSKUJLXIPNW-OLZOCXBDSA-N 497.283 6.926 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N/NC(=O)c3ccc(OC)cc3)c2c1 40421092 UKADRJFMOYPILZ-VTNSRFBWSA-N 493.529 6.969 50 1 JKGF C[C@]12CC[C@@H]3c4ccc(CCBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 72315176 LSFSILMVQQMGRP-OPRSCSRJSA-N 496.489 5.409 50 1 JKGF CN(C)c1ccc(/C=N/NC(=O)c2cc3c4ccccc4n(C)c3c(-c3cccc([N+](=O)[O-])c3)n2)cc1 73162655 ZVXGKTDDBPDTHO-STBIYBPSSA-N 492.539 5.132 50 1 JKGF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587189568 CWLYNEDMLKXDMA-KRWDZBQOSA-N 463.472 7.177 50 1 JKGF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587202206 GOWXUSAYDMTZPQ-HNNXBMFYSA-N 465.400 5.663 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O 587410992 ARHXUBCEYBZMLI-RBISFHTESA-N 483.361 6.630 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538614 QESLPYPMHGWNQK-RCZVLFRGSA-N 482.374 5.490 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587683722 HTGISBRURCLCCW-ODCWNRFASA-N 483.812 6.753 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2csc3ccccc23)N1 587858463 QVXSILGWFSYFNQ-WYRIXSBYSA-N 469.217 5.976 50 1 JKGF CCS(=O)(=O)[C@H](Cl)[C@@]1(c2ccccc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963194084 SMJIPZNBMZEAIL-KKUQBAQOSA-N 465.018 5.053 50 1 JKGF COc1cc2c(cc1C(=O)Nc1ccc(C(F)(F)F)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857652620 HRAHDDFZUVBNBT-BKMJKUGQSA-N 482.502 5.845 50 1 JKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 1911581732 YKSBFBSHBBLBBW-IISNYHHCSA-N 495.012 5.559 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 2356473142 UTUUDDODKUTNLS-RYIHONRDSA-N 456.711 6.176 50 1 JKGF CC[C@@H](C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675573 UTISTWYMOBJQNI-NTKDMRAZSA-N 477.008 6.021 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 49888683 RAGZMTDDEIUDKB-YOXBCDPKSA-N 459.561 6.994 50 1 JKGF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587242608 XGHPEPVZSUZWNI-UHFFFAOYSA-N 498.315 7.634 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324653 SKMUBMNTWOFUKJ-LEAFIULHSA-N 472.899 6.213 50 1 JKGF O=C1C[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587497338 CAZJDXNVYQHOIH-SANMLTNESA-N 475.386 7.236 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587505746 MKYRMCVNPCKYSM-HXUWFJFHSA-N 473.260 5.859 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCC(F)(F)CC1 587555988 MZQAGLJLUNUUEG-LAUBAEHRSA-N 453.279 5.313 50 1 JKGF COc1cc(C)ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587563356 CGPWOPPLPFWMPZ-UHFFFAOYSA-N 473.261 6.879 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671584 URNOXNMZQUFWSY-HLFMIMNKSA-N 483.263 6.348 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587681727 AGGBJBBKUXSIGE-OYLFLEFRSA-N 496.848 5.836 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587685062 RYXSIWPWWSZTNJ-FNODVLLQSA-N 484.752 5.338 50 1 JKGF Cc1cc([C@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)n1-c1cccc(F)c1 963195743 WHKAVTGWWGAGOK-KYJUHHDHSA-N 484.018 6.839 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(Cl)cc1Cl 963203034 JMOUATQFNAXMIW-DNQXCXABSA-N 486.240 6.755 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3ccc(OC)cc3)CC2)OO1 43393534 ZXOODAKBXJKQOQ-STJKXBAKSA-N 457.570 6.473 50 1 JKGF Cc1cccc([P+](Cc2ccc(Oc3ccccc3)cc2)(c2cccc(C)c2)c2cccc(C)c2)c1 84690916 RABFWAAYXMRHBO-UHFFFAOYSA-N 487.603 7.898 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CC34CC5CC(CC(C5)C3)C4)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101452076 RYFAKYPNJCDCCZ-ONEJMOLXSA-N 460.611 5.344 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238773410 LHIOARNVSADKCD-HXIWEOHLSA-N 474.726 6.852 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056867 SGYSTGAWIBOBLT-GDNBJRDFSA-N 491.300 7.240 50 1 JKGF CCCCCCCCOc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587187639 KEXBSWSKOHWDNG-XMHGGMMESA-N 452.396 7.129 50 1 JKGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587371760 DCHKVHWAVLRRPZ-PZSUSGJMSA-N 473.953 5.111 50 1 JKGF C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573595 ZZKALJSOSBODGE-WIYYLYMNSA-N 458.404 6.927 50 1 JKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670210 JDBYNZRBVZJJIY-CAYVGHNUSA-N 455.209 5.786 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587671390 RLGWFEWAAJKPJG-HLFMIMNKSA-N 483.263 6.348 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587856014 LNQIISCNSQNPIL-ZVRVIFTDSA-N 464.791 5.509 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 587856650 YIRZTVUBNWVIKN-WHEQGISXSA-N 481.862 6.133 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 587857161 ZYRSRDXJMAKCLT-ZOQWBOTESA-N 496.858 5.688 50 1 JKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21NCCc2ccc(F)c(C)c21 962298392 LLJPKWKTCUZRHD-IRPSRAIASA-N 467.975 6.086 50 1 JKGF COc1ccc2[nH]cc(/C=N/NC(=O)C(=O)c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c2c1 1857637225 VXXXCTGCJVMYQV-AMVVHIIESA-N 484.943 5.166 50 1 JKGF ClCCN(CCCl)c1ccc(CCCNc2c3ccccc3nc3ccccc23)cc1 26822611 VHRIBWYCKXQYLG-UHFFFAOYSA-N 452.429 6.717 50 1 JKGF COc1ccc(CC[C@H](C)CCC[C@](CN=C=S)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 29473428 OHOGPFWBUZMESP-KPURRNSFSA-N 499.717 7.157 50 1 JKGF C=C(c1ccc(Br)cc1)[C@H]1OOC2(CCCCC2)O[C@@H]1c1ccc(Br)cc1 95585445 YGTZGGGBCATMFQ-NHCUHLMSSA-N 494.223 6.974 50 1 JKGF N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@H]1c1ccc(Cl)cc1 103173793 QHTSYNBPPLWIAX-KOGVQQCSSA-N 470.359 6.930 50 1 JKGF COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1OC 587056258 OIWBWVDMIAHAMB-SXGWCWSVSA-N 467.356 6.359 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537124 ATVMUADTHMTTJC-PMHROOCVSA-N 467.359 6.156 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 587670620 LZBKKAICLZXBDN-PJYBLOJUSA-N 461.600 5.803 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCBr)(c1ccc(Cl)cc1)NCC21CCOCC1 963193884 VWCAQLNAKMIVJR-XMMPIXPASA-N 494.857 5.427 50 1 JKGF COc1cccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c1 1772585426 GYROSWLFRAKDFC-JOCHJYFZSA-N 498.423 5.671 50 1 JKGF CCOC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccccc1 1911580255 ZIARTVPNCGOGRU-NIPICHQTSA-N 474.594 5.296 50 1 JKGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1)N2 13151899 BGFCFSUMQMMXNS-OEPYWHFISA-N 479.001 6.836 50 1 JKGF C=C(C)[C@H](O)CC/C(C)=C/C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 14612380 MUVCLXZNRJJIGV-HIEHQMEWSA-N 497.415 5.053 50 1 JKGF in-vitro CC(C)(Cl)[C@H](Br)CC[C@](C)(Br)[C@@H](Br)CBr 195482966 VQJJUSUYXITRKY-WEDXCCLWSA-N 492.315 5.860 50 1 JKGF N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F 587144209 JKFSWLGYJAVMLA-GFCCVEGCSA-N 460.241 6.364 50 1 JKGF CCCCOc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319396 BBZTYGPZTNHUSU-RSXGOPAZSA-N 499.376 6.360 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 587332798 JYDSEOVBWDLTBX-IXCJQBJRSA-N 493.937 6.571 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)O2 587371546 GQEWZUGEGXRPMH-MHZLTWQESA-N 451.010 6.382 50 1 JKGF C[C@@H](Br)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587496990 BEPITTVCJMWBTN-ASSNKEHSSA-N 464.197 5.972 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587687071 YQNLXNXPJRNBCO-PEBXRYMYSA-N 464.762 5.529 50 1 JKGF N#C/C(=C\c1ccc(O)c(O)c1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923305 ZNUBISIKLYTRSA-GZTJUZNOSA-N 453.498 6.573 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CC[C@@H]1C(C)=CC[C@H](C)C1(C)C 2356484736 GJYZRMAFYKGFKM-BSLQLIBWSA-N 472.754 7.577 50 1 JKGF C(CCCN1CCCCC1)CCNCCSSCCNCCCCCCN1CCCCC1 28218606 YXCRLJRIQXBPNW-UHFFFAOYSA-N 486.880 5.640 50 1 JKGF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCSSCCO[N+](=O)[O-] 35952846 REGQGNHXLZAOPD-UHFFFAOYSA-N 477.391 5.412 50 1 JKGF Cc1ccc(P(CCP(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 43241894 YQOUWOJPPGRPPW-UHFFFAOYSA-N 454.534 6.486 50 1 JKGF COc1ccc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C(C)C)cc1CCl 169334503 OVEOURSJQFCFPE-SVPADUAOSA-N 451.994 6.216 50 1 JKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1ccccc1)[C@H](c1ccccc1)S2 169720172 JTXJGWAKNGSULP-NRFANRHFSA-N 480.018 5.592 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 263637168 KWHXMASXPBOSRE-KYPPUNMUSA-N 458.727 7.641 50 1 JKGF Cc1cc2c(cc1C)C(Cl)=C(/C=N/NC(=O)c1cccc(I)c1)CCC2 299821498 FPBZXCLWCHGOEW-WYMPLXKRSA-N 478.761 5.610 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 587025482 MYIYAMNOUBNKKP-UHFFFAOYSA-N 485.348 6.415 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501253 WSLCYDBOXPIPRH-WHLCRQNOSA-N 491.425 6.789 50 1 JKGF Cc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 587501256 WTHDUJMPXYVXQS-XMMPIXPASA-N 451.364 5.315 50 1 JKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554475 DLCOFVAPGASKIS-HIDBYJOQSA-N 461.258 5.311 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669796 FSWHPGMNFFSQNB-UTLVKMTRSA-N 475.627 6.193 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689256 RFRYDRYMTBFKRF-ALLJEULLSA-N 467.810 5.588 50 1 JKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(C2CCCCC2)N1 963186604 ULAZFANEDQBTIX-DYVFJYSZSA-N 454.714 5.128 50 1 JKGF O=C(NN=C(c1ccccc1)c1ccc(Br)cc1)c1ccc(Br)cc1 2356723704 ROCHXCQUYWCKKJ-UHFFFAOYSA-N 458.153 5.394 50 1 JKGF Cc1ccc2nc(Oc3ccc(F)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084017 ICZVMLGRRXQPGR-DEOSSOPVSA-N 469.516 5.926 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998225 HJSCBWZPZDFDEA-RJRFIUFISA-N 469.229 6.882 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3c(F)cccc3F)nc3cccc1c23 587104444 UMZZMXUGKAFNGL-SFHVURJKSA-N 450.282 6.403 50 1 JKGF O=C1C[C@](CBr)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587501791 YESYGSNZZMCDPZ-SANMLTNESA-N 463.371 6.613 50 1 JKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 587616969 IFIUWSHJLKZJMD-GBXCKJPGSA-N 481.367 6.167 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc3ccccc23)N1 587671774 ANPKERLUCZENIH-ZSEKCTLFSA-N 463.188 5.914 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br 587676603 HRUUOCQVOAGTNR-BLVKFPJESA-N 475.627 5.984 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587684763 MCIHSMILIISTNU-YEBMWUKDSA-N 470.769 5.698 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 587710347 FWHTWLYZZQDXCN-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1[C@@H](C)c1ccccc1 962719320 YQHMUQQJNUGRIY-PYHHMDQSSA-N 483.096 6.699 50 1 JKGF C[C@]1(c2ccccc2NC(=O)CCCCl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951737 IQXKHHYZYZGTIR-QHCPKHFHSA-N 480.958 5.578 50 1 JKGF N#CSc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C(=O)Cc2ccncc2)CC1 27425051 DYSOHBRXQUBMIP-UHFFFAOYSA-N 487.028 5.469 50 1 JKGF O=C(N/N=C/c1ccccc1Cl)c1cc2c([nH]c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 73165149 FYZSXWRSWUMWAM-MZJWZYIUSA-N 469.888 5.709 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)O2 587372989 KDBYTPZJFCXQNE-CRICUBBOSA-N 466.375 5.800 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 587497976 LRTSWPWECAOTQE-MUUNZHRXSA-N 477.988 5.844 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1COc2ccccc2O1 587499128 RXMSUMOKXBDLIT-PBBNMVCDSA-N 492.015 5.923 50 1 JKGF Cc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587509903 YERFPVKECFBGLS-WRHNGFHOSA-N 499.985 7.062 50 1 JKGF Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl 587537544 HMGINJPSUGQDGH-KNQAVFIVSA-N 459.723 5.606 50 1 JKGF COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587538171 CTWLIYPSJZVKBB-DENIHFKCSA-N 475.722 5.259 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1 587546834 YCGXOFZBAHLMGB-RCZVLFRGSA-N 464.905 5.192 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cn(C)c3ccccc23)N1 587671969 CCTWEWQAIWPTGD-ODXCJYRJSA-N 466.192 5.253 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 587673821 QNAWAUKKZHKKAV-NPMXOYFQSA-N 489.226 6.309 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674736 ZUSLSSIJCQDSAJ-PRWKNARSSA-N 466.192 5.551 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 587712874 RECUJLDSQPHUDF-DYZYQPBXSA-N 481.125 5.780 50 1 JKGF CSc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587844750 MDYUNJLASDJVRM-BIBXISHDSA-N 471.823 5.285 50 1 JKGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1cc(Cl)cc(Br)c1)NCC3 963069475 RXIBRAGDLMOECR-HXUWFJFHSA-N 496.630 5.444 50 1 JKGF CSc1nc(NCc2ccccc2)c2cnn(C[C@H](Br)c3ccccc3)c2n1 40404686 DYYCEEKDQUZBGA-SFHVURJKSA-N 454.397 5.297 50 1 JKGF CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 53294239 OONVLKOVKGRXFV-DNQXCXABSA-N 488.016 5.456 50 1 JKGF C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)OC(=O)/C=C/c3ccc(O)cc3)[C@@H]2CC[C@@]1(C)O 238764485 VHWCBTIGFYIWEG-LYXGPFFNSA-N 466.618 5.971 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054225 DBCPNYABQPHJLJ-NYBOLYEOSA-N 465.344 6.065 50 1 JKGF Fc1ccc2[nH]cc(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2c1 587175689 YFVPDBPOYXWGPN-UHFFFAOYSA-N 470.236 7.194 50 1 JKGF CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587322654 HUUDUKDFIXAFMQ-JCVZSFDNSA-N 455.913 5.561 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 587324024 VOZNFKVUGZQJEZ-UNMCSNQZSA-N 472.266 5.089 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587325933 IBACDCSUKMKBQN-XTEPFMGCSA-N 464.964 7.072 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375154 RGHXNHPXZFWVPN-YBGOQADZSA-N 478.932 5.785 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cccc2Cl)N1 587674149 TXRRAEUKQKPDDZ-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@H](Br)c2ccccc2F)N1 587727834 PMGKNISMFUUZPM-HDZZMESHSA-N 471.183 6.003 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cl)c1ccccc1 587901439 CGUNEFIWSQYIAN-JOCHJYFZSA-N 455.297 5.575 50 1 JKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857600760 RTWIOUGYWIHZBA-KRWDZBQOSA-N 490.372 6.003 50 1 JKGF CC[C@@H](C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356425533 HGBPMYUZRACDBG-CYIKAJCVSA-N 462.715 6.464 50 1 JKGF N#C[C@@H](O)CCCCCCCCCCCCCCCC=CCCCCCc1ccc(C=O)[nH]1 2356479027 AQTNXUZBBPTYCC-LJAQVGFWSA-N 456.715 8.222 50 1 JKGF Cc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2cc3c(cc2n1)OCO3 49756875 LZFSKUAVTKQZCC-UHFFFAOYSA-N 461.349 5.200 50 1 JKGF O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc3c(c2)OCO3)cc1 103291909 LNNNEKBWFJNFBD-WYMPLXKRSA-N 463.540 5.060 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OCCCCl)cc1)C2=O 118921532 FEVWFUCZRCXQCY-FSVOXAQLSA-N 469.065 6.580 50 1 JKGF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br 587324441 ZGEISMAKSFNIFD-BXPHVLQVSA-N 459.355 5.849 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324863 VBKUECIIUQCBQC-LOAGWBBBSA-N 486.970 7.383 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587325014 WCPIMUGSHCLONJ-YFCOXDMTSA-N 493.962 6.473 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(C)cc(C)cc1Br)CC2=O 587456383 NYLZEKAQZDZZKJ-OAQYLSRUSA-N 482.212 5.980 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587460001 KHXPAMZGORMBGF-NDEPHWFRSA-N 457.054 7.737 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587501790 YESYGSNZZMCDPZ-AREMUKBSSA-N 463.371 6.613 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 587543813 LLGPTNVQPFLRCB-WNJJXGMVSA-N 492.015 6.797 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Cl)c1 587559400 XCCJCZBZIZNDAT-NQIIRXRSSA-N 463.686 5.437 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587683425 HAPUQTVRAPGBSD-WSVYEEACSA-N 465.750 5.309 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587686506 VLZDPGFNABZDPH-LZHZSBQWSA-N 477.846 5.496 50 1 JKGF CSc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O 587843094 GQYAUNVUYNPNIN-PRWKNARSSA-N 471.823 5.285 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2sccc2Br)N1 587844414 NSVFEMMWNXIQJW-ANRSDYALSA-N 453.602 5.429 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587846039 GIRSKFUNPSCWMP-LAJNKCICSA-N 487.866 5.329 50 1 JKGF CCCCCCCCCCCCCC[C@]1(CBr)c2ccccc2C[C@@H](C)N1CCC 963236681 GMVQYUSZVZIGSL-NAKRPHOHSA-N 478.603 9.025 50 1 JKGF CC(C)(C=CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OO 2356411005 WKQMXHFMAPGWJI-PLIQXMEASA-N 474.726 6.920 50 1 JKGF CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19866739 HFKBYHDNFZKCMU-JTDSTZFVSA-N 472.941 5.327 50 1 JKGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)Nc1ccc(F)cc1 299831672 QDEHGLRNGQWAFP-UHFFFAOYSA-N 458.537 5.308 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057692 UENIENPULOANGE-DHDCSXOGSA-N 487.368 5.588 50 1 JKGF Nc1ccccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587251079 XVXMOCFWFKXHNK-UHFFFAOYSA-N 490.295 7.899 50 1 JKGF Nc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587268196 NWTQQCLXLQQFRO-UHFFFAOYSA-N 460.182 5.535 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587336647 UMZQIYMGEWOUSY-GGAORHGYSA-N 475.285 5.328 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 587376940 ZCZHNOHSYFDOGQ-NZQKXSOJSA-N 484.346 5.790 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587499241 LPXHXPMAHDPSFR-BXKMTCNYSA-N 478.427 5.311 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674753 ZYYFJJIXKZQRME-QKVFXAPYSA-N 494.202 5.724 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 587685887 BRMYLUHMHWQFAI-PUAOIOHZSA-N 489.860 6.266 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2F)([C@@H](C)Br)N1 587722672 ZNNQTTRYNJNQRR-MHNGPXOMSA-N 463.135 5.428 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587736387 ZQHJTYNMHYCBLG-JCQPUDPBSA-N 479.796 6.151 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587747340 PVEQJXYSCXQANB-QHOFHYMNSA-N 498.396 5.128 50 1 JKGF C[C@H](Cl)[C@@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2cc(Br)c(F)cc21 587855234 HXSBTOLBRWBMQO-VTUIWPJASA-N 478.818 5.898 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587857790 UXUITDKIEIOOFS-OPDJNBBISA-N 478.818 5.534 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cccc(OCC(F)F)c1 963186935 HDBYTDBEQFWQRB-AOYPEHQESA-N 497.383 6.092 50 1 JKGF COC(=O)[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=CC=O)[C@]3(C)CC[C@@H]12 2356672101 XCWQDUIKQDWONL-MBPQMTAISA-N 496.644 5.477 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)C1)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356684091 JKAAEVULEKEQOP-XOPFUANDSA-N 462.310 6.783 50 1 JKGF Cc1ccc(/N=N/[C@@H]2S/C(=C(\C#N)c3nc4ccccc4[nH]3)N(c3ccccc3)C2=O)cc1 73315388 NJOLMMXUKOZVGE-WHYKDKBWSA-N 450.527 5.954 50 1 JKGF C/C1=C(\CCO)SS/C(CCO)=C(/C)N(C=O)CCCCCCCCCCCCN1C=O 84670726 SDZBPJBCZNNPSA-SXAUZNKPSA-N 486.744 5.427 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 254079966 VFBYNCPHZPFIJO-YUDSSMKFSA-N 478.541 5.851 50 1 JKGF Cc1ccc2c3c(c4c(nc13)[C@@H](Br)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586992526 CMVJOWSTKSWDSL-KUHUBIRLSA-N 493.401 6.030 50 1 JKGF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 587027125 PPERWAOBQWZMAY-KYNGSXCRSA-N 491.551 7.357 50 1 JKGF C[C@]1([C@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333222 MQNMJRGVAWZCHI-AOHZBQACSA-N 473.313 5.794 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCCC2 587539043 UTBMWWYBMKAPGP-WIOPSUGQSA-N 465.343 5.523 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544199 NBTPLSCLDSMVCO-USUFYUJYSA-N 465.933 5.471 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 587688362 LZMBNXIDIAAQNH-DMZKTXOQSA-N 462.794 5.407 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1CBr 587892404 GOKDUSLMQDFCLZ-UHFFFAOYSA-N 479.123 5.618 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1ccc(COCCl)cc1 961747709 HMINQWIZKJSBDZ-AREMUKBSSA-N 457.014 5.814 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)NCC2 962928088 GMRCVCJSFDUZEP-ZCYQVOJMSA-N 483.837 5.567 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3cnn(CCCCC(F)(F)F)c3)(C(F)(F)F)C2)cc1 1772635889 FGTLMEIDIOFLMZ-HXUWFJFHSA-N 470.417 5.179 50 1 JKGF COc1ccc(/C=C2\CC[C@@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc1OC 5844860 NHTZNOQMXDOAAM-SLHARXDDSA-N 474.557 5.081 50 1 JKGF COC(=O)c1ccc(C#C[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 8019498 WTVGFQYPMZWXAL-NDEPHWFRSA-N 465.489 5.085 50 1 JKGF CC[C@@H](C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675577 UTISTWYMOBJQNI-DVECYGJZSA-N 477.008 6.021 50 1 JKGF O=C(NCCCl)NCCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 96905903 LMFNYMSSSOXTCR-UHFFFAOYSA-N 461.418 5.809 50 1 JKGF Fc1ccc(-c2cn3c(Cc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)csc3n2)cc1 587166370 RHNFCPIUXIWTDQ-UHFFFAOYSA-N 474.455 7.326 50 1 JKGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326434 LLRPYALGGVKXRO-DHLKQENFSA-N 471.912 5.146 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 587372519 MCRHJCVKUOYGHK-NRRJATNASA-N 495.362 5.250 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498486 HRSXZDXXKHDPCR-MYUZEXMDSA-N 477.398 7.002 50 1 JKGF CC(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545353 RASRPWMBBYCZAJ-HOFKKMOUSA-N 450.962 6.566 50 1 JKGF COc1cc2c(cc1OC)[C@@](c1cccc(CBr)c1)(C(F)(F)F)N(C)[C@H](C)C2 962564444 GUFBPMJUCBNARR-XCLFUZPHSA-N 458.318 5.281 50 1 JKGF N#CC1=C(c2ccccc2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772635268 BQYWPMFOCUUFDZ-OAQYLSRUSA-N 468.397 5.663 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC 17654927 FCVJYKICQNLXAX-XPTLAUCJSA-N 466.621 5.808 50 1 JKGF in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3cc(-c4ccccc4C(F)(F)F)nn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102067857 SOVRCGPSPHNVJB-WRQMCJHHSA-N 479.499 5.344 50 1 JKGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 169328950 CFAGZVWUNVZOHJ-BPXGVECKSA-N 460.639 6.352 50 1 JKGF C[C@]12CC[C@@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 169714128 UHDIBEGNYLWRAG-QYXZUYCASA-N 483.656 6.129 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 195518734 VFBYNCPHZPFIJO-WIBZXERCSA-N 478.541 5.851 50 1 JKGF CC(C)(C)OC(=O)N(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C[C@H]1CCCO1 587197135 JWLOUJDGHNOGCG-GFCCVEGCSA-N 457.465 6.136 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@@H]1c1ccc(F)cc1 587329312 XSXZZASYPLEZIS-ISKFKSNPSA-N 472.299 5.865 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCO2 587495876 AOGIZKHBEXRHMW-MHZLTWQESA-N 463.961 5.801 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 587537469 FTBXNMIUYMCMPS-LEAFIULHSA-N 499.360 6.215 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587710262 RAHMSANDPPSCMW-XLFHBGCDSA-N 450.657 5.307 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCCCCl)(c1cccc(Br)c1)N(C)[C@@H](C)C2 962640591 WXEREAATLHKOLF-AVRWGWEMSA-N 494.901 6.776 50 1 JKGF Fc1cc(Br)cc([C@@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)c1 963102643 FXRTXZUOKUBVLW-MRXNPFEDSA-N 467.991 5.679 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C=C(C)CC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356768037 JEBJCDBLMSBFNC-ZJRZZCDQSA-N 474.726 6.612 50 1 JKGF Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)C(C)(C)C 103208676 CCLDOERDRSDQME-UHFFFAOYSA-N 487.225 5.484 50 1 JKGF N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(C(F)(F)F)s1 299820501 CONJDOYMPQAENJ-XNTDXEJSSA-N 453.449 5.106 50 1 JKGF CS(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586951358 XVFHHJANRYQHQV-UHFFFAOYSA-N 492.289 6.021 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(F)c2F)[C@@H]1c1ccc(F)cc1 587330447 HUKISFUXLTVOIY-GCJKJVERSA-N 481.239 5.598 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587330800 ILJDJLQPJOSQFC-JTHBVZDNSA-N 459.286 5.628 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587709993 PTELRRIJRATJDC-HUTHGQBESA-N 450.657 5.307 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 587854969 SQXGRGAPOGGAQD-BLVKFPJESA-N 458.828 5.052 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)ccc1OCCBr 587875107 OLEZCLVGJRZROU-UHFFFAOYSA-N 475.597 5.131 50 1 JKGF CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3cc(F)ccc3F)cs2)cc(C(C)(C)C)c1O 587921797 ZWPDXKMDWPKYCQ-CXUHLZMHSA-N 452.570 7.453 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(c3ccccc3C2=O)c2c(F)cccc2C[C@H]2CCCN21 963106124 QRJMTNRHBQZMHA-VGHVDPOBSA-N 474.963 5.248 50 1 JKGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)[nH]c2cc1C 1857574251 MRDLPGOODKUKDP-UHFFFAOYSA-N 484.412 5.785 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356404993 CUWJDZXEDIUEEW-SMPOVXKUSA-N 486.737 6.325 50 1 JKGF CC(=O)Oc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)C4=C(CC[C@H]23)C(C)(C)OOC(=O)CC4)c1 85917046 PFIJWBMKLUYYTJ-KIKITWEQSA-N 484.633 6.365 50 1 JKGF FC(F)(F)CCc1ocnc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587092537 RBFUUJJSXCMTMS-UHFFFAOYSA-N 486.182 7.133 50 1 JKGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587324581 RNLUAKVQXDJHKT-YVAYWKMGSA-N 479.935 5.322 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587325451 FSXAQVQWCMLNGY-XTEPFMGCSA-N 475.947 6.432 50 1 JKGF CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325897 HLWDGEODDHANSC-YIXXDRMTSA-N 481.951 6.009 50 1 JKGF COc1cccc(-c2cc(-c3ccccc3NC(=O)CCCl)nc3c2oc2ccccc23)c1 587357830 MVPGFUAFBMQFSF-UHFFFAOYSA-N 456.929 6.891 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537579 IEHDIXFAIOBPLO-IJIZOXLDSA-N 455.304 5.041 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 587674564 XMYKSVUBNWCTIR-XYZCENFISA-N 482.018 6.068 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682837 DTDXAUNFPXWHIW-MYYSRTQBSA-N 496.848 5.836 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587683982 IRKAOZHEAHLPLB-XMHCIUCPSA-N 467.810 5.589 50 1 JKGF CC(C)c1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689810 WQCAPHCKBAWJII-DQIAKBPPSA-N 466.866 7.240 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2F)N1 587720471 RRQUJGFEDZNICE-MLCYQJTMSA-N 479.590 5.897 50 1 JKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962928340 XRGODZBIZLPVQS-LJAQVGFWSA-N 488.031 5.564 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)COC(=O)CBr)CC[C@H]32)C1 2356554869 ZSBQFTNZBNMSDA-IWBJTSIOSA-N 495.454 5.004 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356691384 HYJRGCBMQQQTHM-ATIZSFMBSA-N 490.725 5.584 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 58655467 QGJLGIKHILXLAN-HFMKMYJCSA-N 492.700 7.299 50 1 JKGF CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)c2c3c(ccc4c3c1OC4(C)C)[C@@H](C)CC2 195469205 DGXLZGXIYPZGDM-FQEVSTJZSA-N 452.755 9.195 50 1 JKGF CC[C@@H](C)Sc1nc(NCCc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135106 FPBWRCAEWSNSDZ-GCJKJVERSA-N 466.054 6.352 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)O2 587382043 MXQVUDVIPITFMN-HSZRJFAPSA-N 462.899 6.103 50 1 JKGF COc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587538284 OQFMDECBPLLBME-URXFXBBRSA-N 469.331 5.270 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587545174 QCBTWEGOENPHTQ-ZWPAFXJRSA-N 477.900 5.581 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Cl 587615591 YTJXXLVSWRBEEZ-HNAYVOBHSA-N 451.725 5.359 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2)N1 587673825 QOBKWMXQSVXLEA-DYZYQPBXSA-N 492.024 5.523 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587689751 VRABFEJYTRDUGX-MQJDWESPSA-N 466.782 5.309 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl 587704642 KECIVEYRDOYSPL-HEFCWWFNSA-N 465.278 7.057 50 1 JKGF C[C@@H](Cl)[C@]1(c2ccc(F)cc2F)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961748156 IPOGDXVLFIRFSK-SGANQWHYSA-N 462.968 5.987 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1ccc2c(c1)OC(F)(F)O2 962398977 ORWVAEYJZAQQAA-HXUWFJFHSA-N 481.362 5.105 50 1 JKGF CC(C)(C)[C@]1(COc2ccc(C(=O)Cl)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962704847 DIWBBYNTXNEWOR-XMSQKQJNSA-N 453.888 5.032 50 1 JKGF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 84712630 FUADBYKFTGCKPV-OZWPHOJSSA-N 495.878 6.040 50 1 JKGF O=C(Nc1ccccc1Cl)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587060142 BLUIZYVHKVOVIW-UHFFFAOYSA-N 476.652 6.889 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@@H](Br)CC)CC2=O 587454384 XAYVZDWGFDFGEP-GMAHTHKFSA-N 460.368 5.337 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541695 DCDMGQIPBSNXJK-WZOHSFFVSA-N 475.969 5.271 50 1 JKGF C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 587671332 QVDKHOOQYGXPSD-QNFIZJHFSA-N 485.279 6.318 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587687841 ISSPOIMXYOBQSK-NPMABZOXSA-N 496.251 6.666 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 587702059 DGWHLHZKHONNJV-XDHFEDCHSA-N 482.674 5.509 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@@H](C)C2 962629568 PGUKNKWUHYGJKC-NYHFZMIOSA-N 457.920 5.741 50 1 JKGF Cc1ccccc1C(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772644917 JNILGKCYQAEZLL-JQIJEIRASA-N 488.551 5.255 50 1 JKGF O=C(O)CCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 1857542821 ATZMTTYEBJSBHN-UHFFFAOYSA-N 456.579 5.805 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O 2356326250 VQGRARXMDOEPFR-IPIAPBDLSA-N 470.694 5.808 50 1 JKGF CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1 1645415 IWPAUWRPNVYETK-UHFFFAOYSA-N 479.024 5.318 50 1 JKGF COC(=O)[C@@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](Cl)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 29551909 NEVYPTQNRNGLGC-DEJOMVIQSA-N 489.184 8.569 50 1 JKGF CCCCCCCCCCCCCCCCOc1ccc(/C=C(\C)C(=O)OCCCCl)cc1 43411480 NCXRLHVPPUKECO-OCEACIFDSA-N 479.145 9.122 50 1 JKGF CC(C)(Cl)[C@H](Br)CC[C@@](C)(Br)[C@@H](Br)CBr 195482960 VQJJUSUYXITRKY-KHQFGBGNSA-N 492.315 5.860 50 1 JKGF O=S(=O)(/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 586924218 LQDABHJLCQBBLH-VOTSOKGWSA-N 489.285 6.427 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587325872 HEWQHDAWSMBCMW-WNCULLNHSA-N 481.951 6.009 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 587328598 VFKVOMWQDLJHHA-XRKRLSELSA-N 489.974 6.491 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(Cl)cc1 587500231 ZHZZZLRPCAFCKA-MUUNZHRXSA-N 482.451 6.979 50 1 JKGF COc1cc(Cl)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587501804 YMVDEAVIFSVQBL-JOCHJYFZSA-N 465.771 5.492 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2sccc2c1 587618606 OVPYZUCDFMIMED-OFNKIYASSA-N 467.340 5.859 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 587689804 WJYNMBZTFLIDPA-XGMJKTLISA-N 458.762 5.473 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587856009 LNQIISCNSQNPIL-YVFITIKCSA-N 464.791 5.509 50 1 JKGF Fc1cccc([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963830914 DSTAIGVSCNIBCI-VWLOTQADSA-N 465.366 5.670 50 1 JKGF Cc1[nH]c2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1cc(/C=C/C(=O)c1cccs1)cc2C(C)(C)C 1857748789 XAAIDHPZKXBLMF-ZPIZUECNSA-N 493.632 6.950 50 1 JKGF C=C(C)[C@@H](OO)[C@@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356674157 XSBBXSMODSRERW-JAVQNWLSSA-N 474.726 6.608 50 1 JKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1652764 KYNYNSOJBPKYSS-FIMPJCGCSA-N 480.955 6.517 50 1 JKGF C[C@@H]1CC[C@@H]2CC3=C4CCC[C@H](N=C(N)N)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O 85549581 NBTVKSMHLQISOW-DKPNWGGZSA-N 475.768 5.999 50 1 JKGF biogenic,in-vitro COc1ccc2nc(Oc3ccc(F)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084575 WCKLMYNGQGZYDV-XMMPIXPASA-N 485.515 5.626 50 1 JKGF C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1 170186842 CSQSGSVJUYCWEB-ZEQKJWHPSA-N 452.759 6.630 50 1 JKGF C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C\CC1)CO4)C3=O 238772386 CGYXUANFCZTNCN-OBADIYRASA-N 477.384 5.285 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671547 TXAVUPYHYFXYFU-KQPNJSLMSA-N 475.627 6.193 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(Br)cc2)N1 587676475 DWICDMADGXREIT-ZMZPIMSZSA-N 461.600 5.562 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl 587685071 NQCPFUOLRWNWIV-LLVKDONJSA-N 492.087 6.040 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)cc2F)N1 587720097 RBTLYNWFTUZORF-CQLKUDPESA-N 467.098 5.178 50 1 JKGF CSc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587846229 PJCNNAASCNYNKG-GIPWTMENSA-N 471.823 5.285 50 1 JKGF CCCCCCC(C)(C)c1cc(OCCCBr)c2c(c1)OC(C)(C)c1cn(C)nc1-2 1857612888 YYPKRSZPIRSYDL-UHFFFAOYSA-N 477.487 7.126 50 1 JKGF CC1(C)c2ccoc2C[C@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@@H]21 15222195 GSRPFVPTUJOGDD-YCAMKHIRSA-N 494.766 8.527 50 1 JKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2Nc2nc4ccccc4nc2S3)s1 28826990 MKNYSPZGSGBELV-UHFFFAOYSA-N 491.989 5.134 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@H]1C 238732885 KWJCZFYAVGCCMW-ZOFYAIGQSA-N 458.727 7.737 50 1 JKGF Cc1ccc2c3c(cc(-c4oc5ccccc5c4NC(=O)[C@@H](C)Cl)nc13)-c1ccccc1C2=O 586994412 ZQKAHGBLHUXHQO-OAHLLOKOSA-N 466.924 6.734 50 1 JKGF N#CC1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587320557 ATVFSMYDIVDXDR-VWNXMTODSA-N 478.273 5.348 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 587330011 ZMXOMZXQGDNANZ-XTEPFMGCSA-N 466.980 7.271 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537463 FQORMIRUEKEYES-REWPJTCUSA-N 489.749 5.615 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 587672800 IADZJHWDXUMZEP-MPBGBICISA-N 453.193 5.250 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587679149 FFFCSQDZGRSDGX-OIRASMEMSA-N 484.752 5.338 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689766 VVFUNQJWTJTAHK-IZHWHUGBSA-N 475.833 6.321 50 1 JKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(OCC(F)(F)F)cc1)N(C)[C@H](C)C2 962558906 AWPNBJCNUVYHDF-SZNDQCEHSA-N 488.344 5.160 50 1 JKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CCl)(Cc1ccc(F)cc1)N2C(=O)OC(C)(C)C 962703345 GMXAVJDVJGJAFA-CLJLJLNGSA-N 491.962 5.293 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21NCCc2c1sc(C)c2C 963014212 UOXUMPVVLAVUNW-CUBQBAPOSA-N 470.041 6.317 50 1 JKGF O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cc2c(cn1)[nH]c1ccccc12 1857746838 YDVZZKBMFYMVBZ-IPPBACCNSA-N 454.917 5.712 50 1 JKGF CC(C)=CC=C[C@H](COO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356464276 DICZHBSJZBDKMM-LIIHPMGPSA-N 456.711 7.415 50 1 JKGF COC(=O)c1sc(-c2ccc(Br)cc2)nc1C(Br)Br 72171880 ANTWNQLAXOKONY-UHFFFAOYSA-N 469.980 5.148 50 1 JKGF COC(=O)n1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc21 73388970 ORUFHXQFGOWFFJ-UHFFFAOYSA-N 450.498 5.750 50 1 JKGF O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(C(F)(F)F)c1 146420495 YFKJFXJIVQHGHP-UHFFFAOYSA-N 466.415 5.413 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)ccc21 299868943 STUUQRJGSPERQQ-MZJWZYIUSA-N 496.354 6.092 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cccc(C(N)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054551 GCWQMVQTGWOSSB-GDNBJRDFSA-N 450.329 5.440 50 1 JKGF CSc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587057054 RQXILBFGRSWXOW-YBEGLDIGSA-N 453.398 7.063 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccccc2)no1 587537766 KAMHAKAGDXDHFW-QPPBQGQZSA-N 478.298 5.299 50 1 JKGF Cn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587542438 HDXSRNIBGIMSBR-VIZCGCQYSA-N 495.962 6.647 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2(c3ccccc3)CC2)N1 587672852 IMVUGHHGOFTGOK-ZUOKHONESA-N 453.193 5.444 50 1 JKGF Fc1cc(Br)ccc1[C@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962662590 LDFBMAFKKHUADO-JOCHJYFZSA-N 475.199 6.039 50 1 JKGF Cc1c([C@@]2(CBr)NCCc3cccc(-c4ccccc4)c32)cnn1-c1ccccc1 962664923 ILVPROLSLCEXEW-AREMUKBSSA-N 458.403 5.632 50 1 JKGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCC1CCNCC1 1772617095 VQVWAFZIQAIVPF-UHFFFAOYSA-N 467.650 5.940 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1cc(/C=C/C(=O)c1cccs1)cc2C(C)(C)C 1857748788 XAAIDHPZKXBLMF-RTHIIRHPSA-N 493.632 6.950 50 1 JKGF CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 53294242 OONVLKOVKGRXFV-RPWUZVMVSA-N 488.016 5.456 50 1 JKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 137038330 YKSBFBSHBBLBBW-GUNPPRBASA-N 495.012 5.559 50 1 JKGF Cn1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587113099 RMTCXKONVJJEPQ-UHFFFAOYSA-N 470.183 7.007 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 587322589 NLXVDHWERHLGFU-IRLDBZIGSA-N 496.159 6.487 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 587327367 PTSZFIQFNBHOBW-IRLDBZIGSA-N 451.708 6.331 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@@H]1c1ccc(F)cc1 587329326 XSXZZASYPLEZIS-VWNXMTODSA-N 472.299 5.865 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337222 UZMBINDYUOFOCH-NGXBIBBESA-N 477.276 5.847 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(OCc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587415590 VGSRLSHOXYMZFO-AWCXEYNZSA-N 479.370 5.701 50 1 JKGF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3cccc(Br)c3)c(CCl)[nH]c2c1 587626566 SSPJCDKKLVXEAU-UHFFFAOYSA-N 456.611 7.374 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587689982 YHPUDOJDQYHNRK-PUAOIOHZSA-N 489.860 6.629 50 1 JKGF CCS(=O)(=O)[C@H](Cl)[C@@]1(c2ccccc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963194086 SMJIPZNBMZEAIL-UODIDJSMSA-N 465.018 5.053 50 1 JKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857611227 XLGGFHLAFGEPJN-INIZCTEOSA-N 465.362 6.131 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CC[C@H]1C(C)=CC[C@H](C)C1(C)C 2356484738 GJYZRMAFYKGFKM-OVOKLGSTSA-N 472.754 7.577 50 1 JKGF CC(=O)Oc1c(OC(C)C)c(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c2[nH]c3ccccc3c12 195497124 CGOKYOIRKCAVPD-UHFFFAOYSA-N 469.698 7.896 50 1 JKGF O=C(NCCCl)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 473135395 HWXRICXOOKMVOT-UHFFFAOYSA-N 466.546 5.335 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)c(Cl)c1 587539337 VOYGZSLEOPJHBG-UGKGYDQZSA-N 475.722 5.522 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587546625 WZFVMEKZUUYZLB-SQHAQQRYSA-N 494.374 6.549 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br 587678059 MVLAEAMIWIEGPN-CWTRNNRKSA-N 475.627 5.984 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587690042 YYJCERKAKXIRMB-PSLXWICFSA-N 461.806 6.012 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711582 LCNJIAIGONKFAH-XLFHBGCDSA-N 499.115 5.919 50 1 JKGF Cc1onc(-c2ccc(Cl)cc2Cl)c1[C@@]1(CBr)NCCc2ccc(F)c(C)c21 962093562 PYEYCNDNTLBZHU-NRFANRHFSA-N 484.196 6.189 50 1 JKGF Clc1ccc([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)o1 962646442 UQYNZNULIHPZGC-AUSIDOKSSA-N 457.799 5.318 50 1 JKGF CCc1ccc([C@]2([C@@H](C)Cl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963137249 HDURGEJWWYRDMP-KWMCUTETSA-N 479.020 5.418 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2Cl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963208358 STNNVJKMXSKIFO-PISWEHOVSA-N 465.822 6.490 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccccn3)CC2)nc2ccsc12 1772583450 NNKNFKNIUOYKAC-AATRIKPKSA-N 496.640 6.109 50 1 JKGF CCCCCC[C@@H](CC(=O)CCSSCCC(=O)C[C@@H](CCCCCC)SC)SC 2356786606 AZOVWVATFRLOMZ-PSWAGMNNSA-N 494.898 8.470 50 1 JKGF COc1cccc(NC(=O)C(C)(C)C)c1SSc1c(NC(=O)C(C)(C)C)cccc1OC 1616558 FBUCGLIXSPIFJN-UHFFFAOYSA-N 476.664 6.472 50 1 JKGF CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc1 82052517 RJTNIBPASYBGPL-FQEVSTJZSA-N 478.443 5.893 50 1 JKGF COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNc1ccccc1 299864607 MQDVWGWWEFGFCN-UHFFFAOYSA-N 466.335 5.372 50 1 JKGF FC(F)Oc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587130660 NPVXPFQFHJGBOG-UHFFFAOYSA-N 465.188 7.251 50 1 JKGF CCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321785 KQVRMNWWNBKJOV-ZCYQVOJMSA-N 469.350 6.133 50 1 JKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554473 DLCOFVAPGASKIS-BZGUAGMMSA-N 461.258 5.311 50 1 JKGF COc1ccc2cc([C@@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587673226 LNEKQUSRGFREER-MCMMXHMISA-N 493.214 5.923 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689260 RFRYDRYMTBFKRF-XDEPDNQISA-N 467.810 5.588 50 1 JKGF COc1cc2c(cc1OC)[C@](CBr)(c1cc(F)ccc1Br)N(C)[C@@H](C)C2 962615930 APELDSXCXVTLGM-FKIZINRSSA-N 487.207 5.120 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(C(=O)OC3CC3)cc2)N1 962945948 HQEZVGLFKHSIEN-BXKMTCNYSA-N 453.380 5.050 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1Cl 963193762 LPNKHWSAVDSNOA-JSRBVGTNSA-N 479.849 6.798 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1scc(Br)c1Br 963222772 CUCKPDCKWOLOOW-XIKOKIGWSA-N 477.693 6.412 50 1 JKGF Cc1cccc2c1[C@@](CCl)(c1ccc(C(F)(F)F)cn1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963854344 OOHRUFXBTSWOAA-UZUQRXQVSA-N 498.929 5.528 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)c(c2O)CC(C)=CCC1)C3=O 2356527848 JBVAFOMCWIFYSA-MUEKUWCCSA-N 479.400 5.619 50 1 JKGF C=C(C)[C@@H](Cl)CCC(=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356642967 AQCCYRBRVYHDDZ-IGKIAQTJSA-N 459.026 7.346 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCc3ccc(-c4ccccc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43543893 LWIFTRVERDVFFU-IUQMSSBGSA-N 450.575 6.078 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 254153149 ULNVENSBPPQRER-AORDTYNOSA-N 493.732 7.136 50 1 JKGF CC(C)[C@@H](Br)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587101473 HEAFXOHAJZZUDB-RUZDIDTESA-N 485.381 6.471 50 1 JKGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325501 YFOANENZKRNZFF-NRSLUSSRSA-N 453.897 5.371 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587326134 AKQCOBFUDOKYGH-UNMCSNQZSA-N 495.266 6.199 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1 587538125 NSAIKEWTJJNLJJ-WIYYLYMNSA-N 490.147 5.407 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)c2ccccc2)N1 587673093 KGALSUOZPQSVRA-IEKZBVHVSA-N 489.226 6.502 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccccc3c2)N1 587674714 ZQVZFKXMVVUDBT-YEJXKQKISA-N 463.188 5.914 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1)C(F)(F)F 962730138 LXCWTWWTUIMBLP-BDYUSTAISA-N 489.477 5.180 50 1 JKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]2(c1ccccc1)c1ccc(N=C=S)cc1 962957374 ONUXJIYEVQBSJQ-AREMUKBSSA-N 480.555 6.383 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCCCCCl)c1cccc(Br)c1 963579270 HSEMRVIXZHUFBV-WAIKUNEKSA-N 466.847 6.043 50 1 JKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C 1857635165 OZMMEWCVIJNYTR-OILQEYOWSA-N 486.737 7.659 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356375127 QVDQRPBOZUHTCX-IKXHUTFDSA-N 458.727 7.637 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)C1)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356684089 JKAAEVULEKEQOP-QBVCYTKMSA-N 462.310 6.783 50 1 JKGF N#CCC1=C(C#N)CC(c2ccc(Br)cc2)=C(CC(=O)c2ccc([N+](=O)[O-])cc2)O1 71329795 VKHCNHQBFYOLSR-UHFFFAOYSA-N 464.275 5.453 50 1 JKGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 103206955 ZRWPDFBYTSGNFT-FQEVSTJZSA-N 460.331 5.412 50 1 JKGF N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@@H]1c1ccc(Br)cc1 103216952 DIKWFFMAOQJVDP-YCDBXGQUSA-N 498.355 6.525 50 1 JKGF N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587055507 DOTPGAXFAYDPIL-GFCCVEGCSA-N 476.696 6.879 50 1 JKGF NC(=O)c1cccc(C[C@H](N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587260005 LRAIBZXJOXIOLM-LBPRGKRZSA-N 485.276 5.324 50 1 JKGF N#CC1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587320555 ATVFSMYDIVDXDR-UPVQGACJSA-N 478.273 5.348 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)O2 587375580 UNSNDNNFHQXLEQ-XZOQPEGZSA-N 456.767 6.228 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1coc2ccccc12 587537449 FOXCGQISDAICNY-NZQKXSOJSA-N 451.272 5.390 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 587673679 PCSJXNBVQWHIRL-XTZNXHDOSA-N 477.599 5.639 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587674342 WHCVWQHPCYNBCY-OVWNDWIMSA-N 487.594 6.161 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587689750 VRABFEJYTRDUGX-FIKIJFGZSA-N 466.782 5.309 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 587716972 FCVJENRSTJFPTF-LARMWNDWSA-N 477.162 5.622 50 1 JKGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)[C@@H](F)Cl)cc1Cl 31500188 VQXGNWBYRQGHJW-CQSZACIVSA-N 459.223 5.799 50 1 JKGF CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802445 ZFOBWSPROMAXAK-VSRNGQBXSA-N 459.493 6.035 50 1 JKGF C=C[C@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 44431521 RBCZOQQEGCYPRX-RUHLXLGYSA-N 458.683 6.592 50 1 JKGF COc1ccc(C(=O)OCCCCC#Cc2ccc(C(=O)OC3CSSC3)cc2)c(OC)c1 299857390 CSRPUNBVIHBARD-UHFFFAOYSA-N 486.611 5.003 50 1 JKGF Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125794 RIGJOLVZTAXKKN-UHFFFAOYSA-N 481.390 6.457 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587322832 PDYVYEOSQFSEKQ-FSJAGCDVSA-N 483.377 6.693 50 1 JKGF Cc1cccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587322857 PJEVANAVOYDWEE-CHVDNLQBSA-N 455.323 5.878 50 1 JKGF CC(C)(Br)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324189 XAAHWQFZXRUGSP-QFBILLFUSA-N 472.148 5.197 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328430 UKTFCJGQHYTYRI-DNRQZRRGSA-N 475.944 5.267 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587331176 IUPSGCOHZQQIIY-IFMALSPDSA-N 463.249 5.459 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2sccc2Br)[C@H]1c1ccc(F)cc1 587372681 FXBCDHMJZIGLCI-PXNSSMCTSA-N 467.743 5.849 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)CC2=O 587457426 ZCWRGFZGZULXRP-DNOBIOAJSA-N 495.413 6.568 50 1 JKGF CC[C@@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500985 VVHGXGUJSZDPGU-ISKFKSNPSA-N 456.380 5.558 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 587551039 XKYSQSBYKRQQOB-WIYYLYMNSA-N 497.238 5.802 50 1 JKGF COc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587673085 KCLDPIVWPLNHKE-XCLFUZPHSA-N 471.208 5.386 50 1 JKGF COc1ccc2cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl 587686977 YEWDRPBPABZFQG-AMXDTQDGSA-N 483.208 6.420 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F 587711169 WCYNYDOSLCIXKN-MGNBDDOMSA-N 467.732 5.585 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1 963223504 BFDLXUBBDBQNRW-NREPNLDQSA-N 459.977 5.112 50 1 JKGF COc1cc(/C=N/c2ccccc2C(=O)NNc2ccnc3cc(Cl)ccc23)cc(OC)c1OC 1772598478 JRYXGWQTNOMLEL-WKULSOCRSA-N 490.947 5.422 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@]23[C@H](OCCC[C@@H]2C(=C(C)C=O)CC[C@]3(C)O)O1 2356562371 RPXRCEJKIKHRBO-HRLYRCPASA-N 468.678 6.770 50 1 JKGF C=C(Br)[C@](C)(Br)CC[C@H](Br)C(C)(C)Br 1635868 NPUWTHRIMANTOV-WCBMZHEXSA-N 455.854 5.766 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)Cc1ccc(C(=O)CCl)cc1 44053182 CCPQJFMQTRAOMZ-ZDQMOETHSA-N 492.144 7.165 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](C(N)=O)[C@H](O)[C@](C)(N=C=O)[C@@H]5CC[C@]43C)[C@H]12 71316761 BAQXEDSBZVGWGP-QJRBXJTHSA-N 496.736 5.805 50 1 JKGF C=C[C@@]1(C)C[C@@H]1C(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I 195285999 ASGUHKPNUIEPOF-AGHHOFFYSA-N 484.494 6.916 50 1 JKGF C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@]21C 195518151 ZFWQCKSSHUJFRW-SQVQUZEHSA-N 468.625 6.124 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325124 WQLFPPUQHPKBIQ-MSRSRUENSA-N 485.939 5.535 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328427 UKTFCJGQHYTYRI-CZSZKKDXSA-N 475.944 5.267 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Cl)[C@H]1c1ccc(F)cc1 587332135 JDAKXEABNSPNLQ-UNMCSNQZSA-N 479.704 5.973 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 587498654 ISWAXQOPPXDWSZ-SHACYNPGSA-N 454.364 5.407 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587499451 NEYVNMMCYMPNBI-HXUWFJFHSA-N 450.170 5.584 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 587688664 MYCWCCYEVOXJKC-UBEYKWIRSA-N 477.849 6.257 50 1 JKGF COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C 587688689 NDTBAGTUXZNUTE-KPWVOAKYSA-N 483.809 5.145 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845113 MWZRPNQOGLYINZ-YPMLDQLKSA-N 460.199 5.887 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)[C@@H]5C[C@H]5[C@@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356493884 JTWUHDUABHMRCG-PISXRAKKSA-N 484.721 7.124 50 1 JKGF N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(O)c2cc(Br)ccc2n1 2356874697 YYFZCSGCGXWWHS-UHFFFAOYSA-N 469.298 5.970 50 1 JKGF CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195233902 HHPMHXYQGAXKTP-LJJDTULWSA-N 463.014 6.222 50 1 JKGF CC(C)=CCOC1=CC(O)=C(C(=O)CO)C(=O)[C@@]1(CC=C(C)C)C/C=C(\C)CC/C=C(\C)C=O 238767587 CGCVGIAAWVMTBA-FTLXIVKFSA-N 470.606 5.414 50 1 JKGF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587033935 KMSVIQMPFVYGIV-OAHLLOKOSA-N 475.508 7.706 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 587073864 MUDOGGMIGZTAMZ-UHFFFAOYSA-N 487.719 8.106 50 1 JKGF FC(F)(c1ccccn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587090564 RODHSBOEAVZTPJ-UHFFFAOYSA-N 450.177 6.518 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324379 YDBLSCHZONBQCV-JTHBVZDNSA-N 457.295 5.189 50 1 JKGF COc1ccc(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324483 ZOJMNUJZMGZQCP-UPVQGACJSA-N 471.322 5.498 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 587372684 FXBCDHMJZIGLCI-XLIONFOSSA-N 467.743 5.849 50 1 JKGF O=C1C[C@](CBr)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587499449 NEYVNMMCYMPNBI-FQEVSTJZSA-N 450.170 5.584 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 587855893 KOBVYMURXBJSIY-AHYVMBIBSA-N 499.236 6.163 50 1 JKGF ClCCCCC[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccsc2CCN1Cc1ccco1 962710796 SDONFTUZLOUQER-HSZRJFAPSA-N 468.877 7.749 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCOC(C)(C)C)cc3)(C(F)(F)F)C2)cc1 1772647878 ZSHDXHIXEQNOCA-RUZDIDTESA-N 472.507 5.444 50 1 JKGF CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 49881805 MAQBVAPOWAFDSU-KEKPKEOLSA-N 466.005 7.506 50 1 JKGF Cc1cc(Br)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)C 103208672 CGBUKJBLYCPDQO-UHFFFAOYSA-N 486.332 5.196 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H](Cl)CCCCCCCCC[C@H]2Cl 587548624 OERAMVDTBRMIKF-MTQWNXOMSA-N 463.401 6.832 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587710261 RAHMSANDPPSCMW-VVVCHXIZSA-N 450.657 5.307 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726144 UYJUQNXOKFKCTP-JJQCHNSYSA-N 463.135 5.428 50 1 JKGF 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=O)C(C)(C)CCC1 936069651 FTQSFEZUHZHOAT-RUKVFYPDSA-N 482.752 10.224 50 1 JKGF in-vitro COc1cc2c(cc1OC)[C@](CBr)(c1ccc(OCC(F)(F)F)cc1)N(C)[C@@H](C)C2 962558901 AWPNBJCNUVYHDF-QKKBWIMNSA-N 488.344 5.160 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccsc3CCN2Cc2ccco2)c(C)n1-c1cc(F)cc(F)c1 962704585 HDDRMJAIDGZSFL-RUZDIDTESA-N 472.988 6.568 50 1 JKGF C[C@@]1(c2ccccc2NC(=O)CCCCl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951733 IQXKHHYZYZGTIR-HSZRJFAPSA-N 480.958 5.578 50 1 JKGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)o1 1772652004 WOMHTKMIGYGTSU-LGJNPRDNSA-N 467.312 5.483 50 1 JKGF C/C(=C\CO[P@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc1ccccc1)CO[Si](C)(C)C(C)(C)C 1857636814 DKTIHVIHNXPGLA-QBISKJOESA-N 499.661 6.478 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 2356498266 OTNMMCVDNMEIGO-WDDWWONHSA-N 470.694 6.269 50 1 JKGF COC(=O)[C@@H](CCC#CC=C(Cl)Cl)[C@H](CCCC=CCC(Cl)Cl)NC(C)=O 2356689322 FRBZGQKWERYAML-HOTGVXAUSA-N 457.225 5.303 50 1 JKGF COC(C)(C)[C@@H]1CC[C@]2(C)C[C@@H]1C(C=O)=C1O[C@](C)(OC)C=C1[C@@H]2C=COC(=O)C=C(C)C 2356850440 PPXRXBGYJKHNJU-RKUCHHQOSA-N 458.595 5.259 50 1 JKGF COc1ccc(-c2coc3cc(OC4CCCCC4)ccc3c2=O)cc1N(CCCl)CCCl 84655227 SPCRGQLJLZQCFF-UHFFFAOYSA-N 490.427 6.464 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(-c3ccccc3)n(CC)c3ccccc13)CC2=O 587461697 SGFSKGFYAPKVHO-GDLZYMKVSA-N 474.000 7.086 50 1 JKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587673875 RAPWDODPTVXXHX-PRWKNARSSA-N 467.176 5.816 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(F)cc2)N1 587727473 BDUJDZZYNOHIMV-CWTRNNRKSA-N 459.172 5.680 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Cl)N1 587842417 DONKKHNJNMAKPD-VXJOIVPMSA-N 453.602 5.476 50 1 JKGF COc1ccc([C@@]2(C(Br)Br)c3c(F)cccc3C[C@@H]3CCCN32)cc1OC 963098260 GKKHVOCLLODJMK-BTYIYWSLSA-N 499.218 5.223 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(C#N)cc2)C1=O 1857654159 AVLDLTYFCNCMQG-JOCHJYFZSA-N 473.573 5.505 50 1 JKGF CC(C)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 12971211 GOFSCAUHNXGMPD-ISAGNRBTSA-N 499.596 5.919 50 1 JKGF COc1cc(F)cc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cc(F)cc(OC)c3)c2)c1 95560744 YGSRICDOXWGBTA-UHFFFAOYSA-N 452.284 6.058 50 1 JKGF c1cc(C2CCC3(CC2)CC2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1 95583741 XIVKZZAOQFWAOJ-UHFFFAOYSA-N 467.650 5.341 50 1 JKGF N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587327347 PJRBDGLXILVVLC-BDYUSTAISA-N 474.919 6.158 50 1 JKGF COc1c(F)cccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330786 IKZGMSYWFVFRBO-NFBKMPQASA-N 475.285 5.328 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1cccc(Cl)c1F)CC2=O 587465453 DWOASNFWRPYBSC-NQIIRXRSSA-N 455.751 5.867 50 1 JKGF C[C@@]1([C@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508275 UMKFXJZXSPRZJQ-IRLDBZIGSA-N 451.763 6.088 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(Cl)cc1 587539010 UBUNPPPCPIFKLP-NFBKMPQASA-N 473.750 6.078 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587687137 FWUYKPQECZHKCQ-MCMMXHMISA-N 465.794 5.664 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 587690102 ZCSXAVAPGWFQHY-CLXDWPHGSA-N 463.822 5.868 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587855598 JVRRBUFSVZHMNO-KXSBPZKFSA-N 464.791 5.509 50 1 JKGF COc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)ccc1OCCCCl 962930620 WGMGTAYARQRCHU-WNCULLNHSA-N 497.975 5.063 50 1 JKGF C=C(C)[C@@H](OO)[C@@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356455626 BEXKXFSUDVVSFA-RNZJDVEQSA-N 460.699 6.218 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)COc3ccccc3-c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101511348 FCHZYDAFGPQTLH-HRAIPNCBSA-N 494.584 5.484 50 1 JKGF C[C@@H]1[C@@H](n2cc(-c3ccccc3C(F)(F)F)nn2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 102093047 SOVRCGPSPHNVJB-NDKCXKIMSA-N 479.499 5.344 50 1 JKGF CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3ccc(Br)cc3[C@H](O)[C@@H]12 137419282 RAYCXYWICCNQQJ-RZLSGREXSA-N 483.038 5.208 50 1 JKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518727 VWDQEBUKNUUKCP-BPCUXKTRSA-N 464.514 5.461 50 1 JKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 299867258 QAGILAWDKXYSMJ-VXNXHJTFSA-N 497.551 5.947 50 1 JKGF N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F 587144210 JKFSWLGYJAVMLA-LBPRGKRZSA-N 460.241 6.364 50 1 JKGF O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(F)cc2N1 587332809 KAHSCMRKVGEVQJ-ZCYQVOJMSA-N 469.871 5.048 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O 587464324 ODRXHRUPBSGMFO-VWLOTQADSA-N 491.937 6.871 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497374 CEFAQQDKGCSTPD-LRTDBIEQSA-N 464.197 5.972 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 587670624 LZBKKAICLZXBDN-YRUZYCQGSA-N 461.600 5.803 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 587671676 ABFSTFNDRRFAOP-HUTHGQBESA-N 482.018 6.068 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672560 GLSAOFHMFCIVIB-RBZFPXEDSA-N 471.208 5.548 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Br)N1 587847824 YQEXPTRFGKHURK-ANRSDYALSA-N 498.053 5.585 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC[C@]23O[C@]24C=C[C@@]25C[C@H](O)CC[C@]2(C)[C@@]4(CC[C@]13C)OO5 2356369644 SQDFUUPQLYKOLN-GCEGHVGGSA-N 456.667 6.139 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N/NC(=O)c3ccccn3)c2c1 40413588 PROAVBJRGBHCBI-WCMJOSRZSA-N 464.491 6.355 50 1 JKGF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]12C 255261808 QXIPAZAGBRHLNR-ZDADGUMASA-N 456.711 7.110 50 1 JKGF O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322060 LIMLQPUPQGCPRN-BGWNEDDSSA-N 485.305 5.024 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587673550 ODNHICZFDVGCEV-BBATYDOGSA-N 461.600 5.723 50 1 JKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl 587687481 GVLFSWOCGAKSHW-XMHCIUCPSA-N 487.240 5.952 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587709999 PTELRRIJRATJDC-XLFHBGCDSA-N 450.657 5.307 50 1 JKGF COc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1OCCCCl 962639159 PUIJDEXASBGCMY-RBJSKKJNSA-N 463.021 5.539 50 1 JKGF C[C@](O)(COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857607589 ONFNZXDPGBHJTK-INIZCTEOSA-N 465.362 6.131 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(OC)c(F)c2)C1=O 1857648603 RGTUSBKUNIOSAB-QFIPXVFZSA-N 496.579 5.781 50 1 JKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccc(N=C=S)cc2)n1 1857761531 GCTHORYVLNGOSW-UHFFFAOYSA-N 482.997 5.161 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356562328 UXUZTOWVOFDKQQ-OCBJUFRSSA-N 456.711 7.417 50 1 JKGF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5=C(C[C@]4(C)[C@H]3CC[C@]12C)[C@@H](c1ccccc1)OC(N)=C5C#N 49777753 QAHDXDBTHWJKAG-KBJQHFLWSA-N 486.656 6.333 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F 587330149 MNWYLDMEHLXSKS-JTHBVZDNSA-N 481.873 6.005 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1 587499551 VIFHRIGYGBATEE-SANMLTNESA-N 452.934 5.489 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1Br 587541365 UBFMZEHFSGOHOU-JXFKEZNVSA-N 481.129 5.299 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587707812 XGICSASEGYCIRY-AJPKGMEUSA-N 464.684 5.105 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 587719750 LQHJTLGHMHETMD-DYZYQPBXSA-N 497.124 5.660 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587727011 AYZKJGZMBMZWPW-FVINQWEUSA-N 499.149 5.006 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)cc1Br 587896325 KYFCCLCBFWWLIR-UHFFFAOYSA-N 454.176 5.201 50 1 JKGF Fc1cccc2c1CCN([C@H]1CCSC1)C21C(CCl)(CCl)CCC1(CCl)CCl 962704357 KOTOGRYESBPIQF-HNNXBMFYSA-N 485.323 6.106 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356503993 BJDXBDDVBKYQSK-ZJRZZCDQSA-N 474.726 6.612 50 1 JKGF C=C1[C@H](OO)C[C@@]2(C)[C@@H]([C@H]1C)[C@H]1CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O 2356510837 NOPDNDHQMGCGJR-LJCBQNIWSA-N 474.726 6.464 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NCCCCCCNc1c2c(nc3ccccc13)CCCC2 13607682 GWKZBCSXCDIJEX-NRFANRHFSA-N 485.763 6.916 50 1 JKGF Oc1ccc(-c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586899080 SKOPLPSFRFNTCP-UHFFFAOYSA-N 491.279 8.022 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O 587422143 NTHHZWRSOMOZQP-GBXCKJPGSA-N 475.894 6.003 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 587539654 XCXVPGXSANZVFR-RDGATRHJSA-N 491.341 5.138 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 587545539 RNEAOUCUAOGJQI-ATIYNZHBSA-N 461.901 5.095 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 587670985 NFXDYRMFMMHIED-JWCBKOKGSA-N 496.218 5.347 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587718348 MZRRDJQTHJNHKC-YPMLDQLKSA-N 479.590 5.862 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 587726393 XAXZOAOBUQHMSW-VVVCHXIZSA-N 465.563 5.506 50 1 JKGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCCCCCCC(=O)NN 587865238 YAJLTROOBUTNKH-UHFFFAOYSA-N 482.547 5.499 50 1 JKGF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587951427 KXTZYGWAUQMYHM-NSHDSACASA-N 493.295 8.276 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1cc(C)n(-c2cc(C)ccc2C)c1C 963052722 GSVPSYBXDNCUSD-MUUNZHRXSA-N 460.021 5.896 50 1 JKGF CCn1c(C)cc([C@@]2(CCl)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1C 963863562 ZEYXFMXMOLQZJA-IBVKSMDESA-N 475.029 5.552 50 1 JKGF C=C(C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CC=CC(C)(C)OO)[C@]3(C)CC[C@]23C[C@]13CCC(=O)O 2356663469 HPUXNUNPWDBEKO-AUCMXNRHSA-N 472.710 7.897 50 1 JKGF CCCCCCCCC/C=C/CCCCCCCOc1ccc(/C=C/C(=O)OCCCl)cc1 43411756 FYMQFZUSGBOPQJ-SWIAPWQQSA-N 477.129 8.898 50 1 JKGF O=C(NCCCl)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 473135525 JEECMAXXHCWFFN-UHFFFAOYSA-N 465.653 5.047 50 1 JKGF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586960470 CEGSENSSYBGABZ-RXMQYKEDSA-N 492.293 5.914 50 1 JKGF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587274085 MTFQZMFASXSXKI-SSDOTTSWSA-N 476.225 5.891 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 587323979 OKHYFCSWFQSOEM-YPUBOHSSSA-N 481.007 7.660 50 1 JKGF CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C[C@H]1C 587326715 MVWWNILMHCODOE-WXWDTJSGSA-N 479.935 5.322 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587499922 WORGVQCCGWPRRP-OFJJUDJNSA-N 485.967 5.585 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542545 HKWPHNJZRYYOQJ-HFZDXXHNSA-N 465.933 5.473 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21 587669433 CYMZLHBIHLRKGI-IDFMNXDXSA-N 496.218 5.347 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669798 FSWHPGMNFFSQNB-XNPNBVRTSA-N 475.627 6.193 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 587671091 PNRIKZUUFVJZOR-XDEPDNQISA-N 483.263 6.447 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCBr)cc2)N1 587673919 RLHUPPMWBQAGPY-CWTRNNRKSA-N 457.181 5.376 50 1 JKGF COc1cc2c(cc1OC)[C@H](c1cccc(CCl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676102 PJTIKWQUIYFWHP-DEOSSOPVSA-N 489.921 6.249 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356375125 QVDQRPBOZUHTCX-CSQLLMMOSA-N 458.727 7.637 50 1 JKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(-c2ccccc2)cc1 40949709 MCVUTQRJNVPFIL-FOKLQQMPSA-N 490.151 5.054 50 1 JKGF COc1cc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O 53298231 OEBUXXALNAGHSZ-GOTSBHOMSA-N 490.972 5.104 50 1 JKGF O=C(NNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)c1cccs1 197971508 IUJBKLDZTUHJTQ-JLHYYAGUSA-N 497.605 5.416 50 1 JKGF CC(=O)N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 586986100 VZCGWARJWIXEIY-HNNXBMFYSA-N 484.288 6.403 50 1 JKGF N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327234 FSNHBLXYZXUDEN-FYYLOGMGSA-N 473.447 6.019 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)CC2=O 587449951 CPKIETXKCWUPSK-XUZZJYLKSA-N 474.395 5.583 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682540 CQIMFUBAICQEGF-HUYGQZFBSA-N 481.837 5.062 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587687678 ZQWPFWSEMUBNDJ-SPSFWMDKSA-N 456.742 5.774 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587688566 MIJZEIMMJHZBPY-XATISFHKSA-N 472.829 6.963 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(Br)Br)N1 587847293 KFKOQWRMVLMSGC-GLEZIHRCSA-N 498.053 5.543 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1ccc(CBr)cc1 963281678 USNPUUBJBKEYQR-GOSISDBHSA-N 488.061 5.470 50 1 JKGF CC(C)=CCC[C@@]1(C)[C@H]2CC[C@@H]3Cc4cc(C(=O)O)ccc4O[C@@]3(C)[C@]2(C)CC[C@H]1Br 2356401909 SPIGDDDVGATBCA-MOLJUIEMSA-N 489.494 7.421 50 1 JKGF COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98084573 SFPCIGZXMBNMOL-RUZDIDTESA-N 497.551 5.495 50 1 JKGF Cc1cc(Cl)cc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1NC(=O)c1cccnc1Cl 103216260 USZKCDUPZKESBU-NCAUGAEKSA-N 496.181 6.020 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003341 UBYDUOKRGUAKNK-UHFFFAOYSA-N 467.261 6.575 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587032479 WYZJJWRVLBEEBT-UHFFFAOYSA-N 461.275 6.784 50 1 JKGF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 587080915 VIDLPBCDGUFZLH-SSDOTTSWSA-N 479.700 7.471 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2Cl)N1 587734772 VPMFJVUSNDYOEN-HUTHGQBESA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587841622 BQIUQAIELNMHIU-CMJOXMDJSA-N 453.380 6.149 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1([C@@H](Cl)C(=O)c1ccc(F)cc1)C(F)(F)F 962368367 AMOIYDUATGAKTE-SFTDATJTSA-N 470.919 5.532 50 1 JKGF COc1cc2c(cc1OC)[C@@]1([C@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683439 YLDVIHVCEFOCFZ-RDGATRHJSA-N 495.969 6.434 50 1 JKGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C(=O)O 1857586806 WTHBJALIKBEJDG-KNBZMSCYSA-N 497.395 5.594 50 1 JKGF CC(=O)O[C@@H]1OC(=O)C=C1[C@@H](O)CC=C(C=O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356707302 PRJYGULWSUVOHQ-AZGAKELHSA-N 458.595 5.268 50 1 JKGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1 45347592 DMYRXHJFZJDIBN-XODNFHPESA-N 491.901 5.336 50 1 JKGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1 45388669 ZRIWNMIPAFYDPL-XODNFHPESA-N 475.902 5.636 50 1 JKGF COC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 587054135 CJLHDQZYVVRCBE-XNTDXEJSSA-N 466.328 5.523 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(F)c(Cl)c3)c1C)CC2=O 587466104 JVXGZCDEXVJREH-VWLOTQADSA-N 476.375 6.644 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545957 UHZXCEKFSKUYFX-FIPFOOKPSA-N 482.875 5.221 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687007 FBGZLSGMRMFHEY-ZFXASYOHSA-N 471.798 5.115 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 587688371 LZMBNXIDIAAQNH-XMHCIUCPSA-N 462.794 5.407 50 1 JKGF O=C([C@H]1Cc2ccccc2[C@@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1)C(F)(F)F 962763493 KQFICTVUSZMZPC-CXAGYDPISA-N 457.106 5.686 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963194106 SNBRVRXXAVVVTC-GSDHBNRESA-N 459.387 5.381 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCCCl)c1cccc(OC(F)(F)F)c1 963235559 XAEKJBJQEOOLCA-CYFREDJKSA-N 453.976 7.285 50 1 JKGF O=C(NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1cccs1 1772610299 PFSZAORSSXARKC-ACCUITESSA-N 480.553 5.008 50 1 JKGF O=C(N/N=C/c1ccc(C(F)(F)F)cc1)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1 1857769045 ZMRZKIBTXMNGQJ-WXMAUWIXSA-N 492.864 5.133 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)O1)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356508778 PZQOXRKFZMYSOB-QQBOBMDFSA-N 464.282 5.915 50 1 JKGF C[C@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl 84712634 FUADBYKFTGCKPV-VXWZWFMZSA-N 495.878 6.040 50 1 JKGF Cc1cc(Cl)cc(C(=O)N/N=C\c2ccccc2Cl)c1NC(=O)c1cccnc1Cl 103213579 PIXRJWZTBOCEBS-RAWMCFOBSA-N 461.736 5.366 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1)N2 169299561 BGFCFSUMQMMXNS-WBZPMCRCSA-N 479.001 6.836 50 1 JKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 299867256 QAGILAWDKXYSMJ-SGNDLWITSA-N 497.551 5.947 50 1 JKGF Nc1ccc(C(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587251951 SAWAULSNYACEPB-UHFFFAOYSA-N 470.261 6.381 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587324297 QDPAYXBRAHRFKL-ISKFKSNPSA-N 489.768 6.567 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F 587330146 MNWYLDMEHLXSKS-GGAORHGYSA-N 481.873 6.005 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)O2 587375007 AZKSYGTXFMNRAN-SANMLTNESA-N 494.385 5.119 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(C(C)(C)C(=O)OC)cc1)CC2=O 587461919 VENCVNYPQQSJPZ-AREMUKBSSA-N 458.982 5.675 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccc(Br)cc1 587549022 WHMLMLXELHWLSY-KNQAVFIVSA-N 459.723 5.337 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 587849964 CGEQYGGIQJNILG-PSLXWICFSA-N 495.889 6.327 50 1 JKGF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587951300 HBHZOEGKAWHNPX-ZETOZRRWSA-N 477.337 8.029 50 1 JKGF Cc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(C)c(C)c3)NCCc3c2c(C(C)C)nn3C)cc1C 962918221 NSDUSFMSXOOUHQ-IZLXSDGUSA-N 464.053 5.657 50 1 JKGF CC[C@@H](Br)[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957525 OUEDKAYBGSLBBG-DENIHFKCSA-N 468.357 5.774 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(F)c(F)c2Br)N1 962960024 VTAYIUSHLNYCDS-BIBXISHDSA-N 484.182 5.771 50 1 JKGF Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5582809 JWORRNRYVVPDNQ-VNJLCCJNSA-N 477.572 5.813 50 1 JKGF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3c2)cc1 586973597 MAAAVQRGTLAMNR-OAHLLOKOSA-N 465.347 6.189 50 1 JKGF N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321267 IMTCPPROYQCPQJ-GMAHTHKFSA-N 452.279 5.052 50 1 JKGF COc1ccc2c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 587327354 PKHSGWIQSPMACC-ILBGXUMGSA-N 451.881 5.514 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(CBr)cc1)CC2=O 587456324 NMINKMOAYOGGPS-FQEVSTJZSA-N 468.185 5.495 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O 587461698 XYEKQVDJSHKVOQ-VPUSJEBWSA-N 493.943 5.180 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O 587461883 UWEDJELYSYWOFA-HHHXNRCGSA-N 451.994 6.469 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544345 NUFQEQPKHUJWEN-FMYROPPKSA-N 470.952 6.846 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)cc1F 587554737 FEKHOIWPLKKYOE-NQIIRXRSSA-N 465.221 5.062 50 1 JKGF O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587628263 QFVIZCRJCDWFRR-UHFFFAOYSA-N 472.741 6.670 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 587673358 MGRJFFOQVLYWLG-RIGQESBRSA-N 475.284 6.731 50 1 JKGF CSc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587844753 MDYUNJLASDJVRM-PRWKNARSSA-N 471.823 5.285 50 1 JKGF COc1cccc2cc3c(nc12)[C@](CCCCCl)(c1ccc(OC(F)(F)F)cc1)NCC3 963044818 DFYCVRBLXMTZRY-QHCPKHFHSA-N 464.915 5.940 50 1 JKGF O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 1857656192 KDQPMDAIWIMDGW-UHFFFAOYSA-N 479.448 6.135 50 1 JKGF C=C(C)[C@@H](OO)[C@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356674158 XSBBXSMODSRERW-MXBKMJCMSA-N 474.726 6.608 50 1 JKGF N#C/C(=C(/O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 101749338 CHLGGFOIIALNAM-PYCFMQQDSA-N 454.958 5.217 50 1 JKGF aggregator CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)C/C=C(\C=O)CC/C=C(/C)CCC1=C(C)CCCC1(C)C 238734636 PRJYGULWSUVOHQ-PGZFUEBBSA-N 458.595 5.268 50 1 JKGF C/C(=C/CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO 238780292 ADDJEJWGIYLORW-OJIVOAOYSA-N 497.415 5.055 50 1 JKGF CC(=O)N/N=C1/CC[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(C)C 299848977 RCFQMFZAFWOVMT-KNSSUVAZSA-N 468.770 8.156 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587323690 MHYXDRUDOQMXGG-GGAORHGYSA-N 475.741 6.177 50 1 JKGF COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl 587325961 ILVDPZSDUONQEN-ZCYQVOJMSA-N 456.897 5.562 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)c1ccccc1)CC2=O 587457418 YXTAGIYKWIVWDV-RPBOFIJWSA-N 451.360 6.342 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@@H](Cl)CCCCCCCCC[C@H]2Cl 587548633 OERAMVDTBRMIKF-WTEVXDJOSA-N 463.401 6.832 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 587573800 XTPPRJMCRAPDSM-LSYYVWMOSA-N 491.946 6.094 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Cl)c2Cl)N1 587672640 GROXROLLLLZRLB-XYZCENFISA-N 482.018 6.068 50 1 JKGF COc1ccc2cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl 587686980 YEWDRPBPABZFQG-YTEVENLXSA-N 483.208 6.420 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587688648 MUCXNYCSTOONED-WNWIJWBNSA-N 472.012 6.477 50 1 JKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(N=C=S)c2)n1 1857641727 SCZWBTGOWFCNSG-UHFFFAOYSA-N 482.997 5.161 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NCCCCCCCNc1c2c(nc3ccccc13)CCCC2 13607684 UJYFHDXYPAFONC-JOCHJYFZSA-N 499.790 7.306 50 1 JKGF O=C(NC1CCCCC1)c1ccccc1SSc1ccccc1C(=O)NC1CCCCC1 29470889 SEMMGGLNXCKMDE-UHFFFAOYSA-N 468.688 6.611 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 34820654 GUPQNHIGLNUBOG-ZIRPMDRQSA-N 452.679 7.074 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(Cl)cc2)N1 587672188 DXQSGVREVUHVTQ-BUXKBTBVSA-N 475.627 6.195 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587681756 AMAYOTBGUYSINS-BZQUYTCOSA-N 483.812 6.753 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587727010 AYZKJGZMBMZWPW-CFMSYZGJSA-N 499.149 5.006 50 1 JKGF COC(=O)[C@@]12CC[C@@H]3[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]1CC(C)(C)CC2 1857571503 KLWPDEWJFAAMFY-MKRNBIFASA-N 491.672 5.989 50 1 JKGF O=C(CCCCCCCCCCc1ccccc1)O[C@H](CBr)COP(=O)(O)O 1911574700 QRNVDGBFSMDAFL-LJQANCHMSA-N 479.348 5.156 50 1 JKGF COC(=O)C[C@@H]1C(C)(C)[C@H](Cl)[C@H]2C[C@@H]3C4=CC(=O)O[C@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O 2356307630 HOTHINYOYDJGOT-RZOBAMLSSA-N 489.008 5.258 50 1 JKGF CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372349 ULZLQAWMWUNYHY-IQRXKASCSA-N 464.687 7.466 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299815030 QRRVYNHCMMRFJK-SFBXMVEDSA-N 496.732 6.811 50 1 JKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587327299 OTIFVAFXSRUEKW-AOYPEHQESA-N 465.908 5.823 50 1 JKGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587371761 DCHKVHWAVLRRPZ-WLXJBKMTSA-N 473.953 5.111 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587546623 WZFVMEKZUUYZLB-SHQCIBLASA-N 494.374 6.549 50 1 JKGF N#CSC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609470 VXTXTTSPAWXNRL-KNQAVFIVSA-N 468.328 5.226 50 1 JKGF N#Cc1ccc2[nH]cc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3CCCl)c2c1 587626359 SDOCUSLNLDYLGK-UHFFFAOYSA-N 455.789 7.007 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 587674528 XKYCRVGBKMHCDQ-YUNKPMOVSA-N 480.175 5.416 50 1 JKGF Fc1ccc(CBr)c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962962312 XDJCWAVUNVWSIZ-LJQANCHMSA-N 458.293 5.480 50 1 JKGF Cc1c([C@]2(CBr)c3ccsc3CCN2Cc2cccnc2)oc2ccccc12 962998804 QGSZCZSGNIQLMM-QHCPKHFHSA-N 453.405 5.895 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CCCBr)c1ccc(Cl)cc1 963290146 UNFPMGMGSRDORY-IBGZPJMESA-N 457.637 6.009 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O 2356326252 VQGRARXMDOEPFR-OXLARSBZSA-N 470.694 5.808 50 1 JKGF CC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356542482 SZLWSWKRZSAHBC-CRVFOLFTSA-N 484.885 9.660 50 1 JKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](C)Cl 2356585036 BCHIOUHGRHUBMI-BYGOPZEFSA-N 478.693 5.758 50 1 JKGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1)N2 169299560 BGFCFSUMQMMXNS-DAZBKPSJSA-N 479.001 6.836 50 1 JKGF C=C(c1ccccc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 169358790 UHRJFSUAULCNDP-JIDUNMDZSA-N 478.673 6.991 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056833 RZTKOTRSLQQMFY-VGOFMYFVSA-N 469.303 6.179 50 1 JKGF Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C(=O)O 587248742 VJZHVDZHLQATFR-UHFFFAOYSA-N 458.206 5.930 50 1 JKGF Cc1ccc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587319464 BTTCJXKOVYCOQH-VWNXMTODSA-N 455.323 5.797 50 1 JKGF O=C=Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587337449 OEERPJCIROSIKO-XCZPVHLTSA-N 451.453 5.801 50 1 JKGF C[C@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537815 KONBYSFVTNEPQI-NFBKMPQASA-N 455.304 5.043 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682185 BWIUEODZUDGJER-IQMFZBJNSA-N 450.823 6.653 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 587689510 TYPSWFVNAMESTC-IZHWHUGBSA-N 491.832 5.652 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587737449 FKMNIDYCMCTXAB-BMLIUANNSA-N 460.281 7.043 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(C(=O)OC3CC3)cc2)N1 962945956 HQEZVGLFKHSIEN-XDHUDOTRSA-N 453.380 5.050 50 1 JKGF C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857598601 LHXOFSLZHLFCER-INIZCTEOSA-N 465.362 6.131 50 1 JKGF C=CCc1ccc(OC(=O)CCCCl)c(-c2cc(CC=C)ccc2OC(=O)CCCCl)c1 1857774849 CQMHOZHLSVJEOX-UHFFFAOYSA-N 475.412 6.659 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)C1=C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@H](C)CC[C@H](Cl)C1(C)C)C2=O 2356341355 MJOKCTHXYZUZPK-ITKHKKBPSA-N 495.443 5.936 50 1 JKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@H]2OC(C)=O)CCC[C@H]1C 2356684531 RKPLHWCOJKGGMT-YEOGNCHCSA-N 458.595 5.124 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)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 13834892 VGVCPRLQICAVQJ-CFZUYSGLSA-N 491.672 6.291 50 1 JKGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccco1 101622290 ZOODMYWVZVZFRV-OMSIWZRRSA-N 483.977 5.879 50 1 JKGF [C-]#[N+]Cn1c(-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)cc2cc(F)ccc21 261070940 ABTWKCFBIIELTL-UHFFFAOYSA-N 457.490 5.068 50 1 JKGF COC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 586973354 IJMPGWQAHNCYJM-SNVBAGLBSA-N 452.146 5.159 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587326364 LHGNOTCFNLJSOT-UKILVPOCSA-N 454.881 5.186 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)O2 587383858 HEMQRUIWYIDGEC-RPLLCQBOSA-N 496.966 5.197 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@@H](C)Cl)CC2=O 587459248 NNQWJUQRYLWWGL-UDFDBXRZSA-N 451.346 5.365 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496352 CMEGGSWGYXRGLO-GUNSETOZSA-N 485.967 5.585 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccccc2c1 587538130 NSUJIFCWCGEBGB-DHLKQENFSA-N 461.311 5.797 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587685797 BFUCTKLZCNANBC-MCMMXHMISA-N 467.810 5.488 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587686720 DMENLVABDZCMLK-IZHWHUGBSA-N 475.833 6.321 50 1 JKGF COc1ccc2cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl 587686978 YEWDRPBPABZFQG-IPQOISQHSA-N 483.208 6.420 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 587712498 BBEQVWLGHZVFHM-MGNBDDOMSA-N 479.134 5.362 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 587726392 XAXZOAOBUQHMSW-HUTHGQBESA-N 465.563 5.506 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccccc2F)N1 587729430 VKLVTVLEGHASOY-DQNAHFDYSA-N 459.172 5.483 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(I)cc1CBr 587917324 HGFRKNZFALQNKZ-UHFFFAOYSA-N 461.524 5.248 50 1 JKGF O=C(N/N=C/c1cccc(Cl)c1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653699634 VCIMBNGUODFZFZ-RWPZCVJISA-N 453.889 5.369 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(Cc3cccs3)c1C)N(C)[C@H](C)C2 962639480 QCZDBRWBMKLFQN-PUAOIOHZSA-N 459.055 5.591 50 1 JKGF O=CC1=C(Cl)[C@H]([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)CCC1 963035036 ZVYKALNMGHUMJO-JLGINSKQSA-N 497.378 5.506 50 1 JKGF COc1ccc2c(c1)[C@@](C)(c1cccc(CBr)c1)N(Cc1ccc(F)cc1)CC2 963304669 UCSGGTRLLVTSOX-RUZDIDTESA-N 454.383 6.051 50 1 JKGF CCCCCCC[C@H]1O[C@@H]1[C@H](OC(=O)CCCCCBr)C(=O)NC1CCCCC1 1772647518 QHDGQLREXDNKCY-HJNYFJLDSA-N 474.480 5.430 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@H](C(C)=CCC[C@]2(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)C[C@H]1O 2356448440 DFJMIRLFDMBSHL-IVPISEAZSA-N 490.725 5.823 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O)OO 2356497199 DYSGKRAFNMJFSM-CVJZXAAASA-N 472.710 7.126 50 1 JKGF C/C(=N/NC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 49803233 WIMQRIQUKRHZPY-KYHGBAKBSA-N 490.394 6.972 50 1 JKGF C/C(=C\CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O)CC/C=C(\C)CC[C@H]1OC1(C)C 103553987 FLUNPFSKRUNRAS-LCEFNFNKSA-N 474.726 6.852 50 1 JKGF biogenic,in-vitro c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCCN1CCOCC1 138810369 AZIRMEZAJOUXGJ-UHFFFAOYSA-N 483.649 5.272 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4ccccc4F)C(=O)O[C@@H]3[C@H]21 206984929 QAUQKOKQGOQXRR-JGJUVZFKSA-N 456.674 7.052 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238745792 MBNLFFHRULJOPH-HLFHJSLSSA-N 486.737 6.325 50 1 JKGF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586945981 OZSDGIGKHKPRKH-UHFFFAOYSA-N 485.481 6.020 50 1 JKGF Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@@H](Br)C(C)C)c4)nc13)-c1ccccc1C2=O 586992574 DNBIAAAHZCNNPW-VWLOTQADSA-N 499.408 6.780 50 1 JKGF Cc1ccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1N 587250947 UGEJBPZDBXJALA-UHFFFAOYSA-N 456.278 6.659 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)O2 587372992 KDBYTPZJFCXQNE-NSYGIPOTSA-N 466.375 5.800 50 1 JKGF N#CCCn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587541262 AGINGJPYLOQDQZ-ZEQKJWHPSA-N 458.901 5.356 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587547191 ZHXGTUWUKLYZTG-LXFBAYGMSA-N 482.875 5.221 50 1 JKGF CSc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1NC(C)=O 587612949 LOVXFQVIYJEVQK-QPPBQGQZSA-N 469.946 5.168 50 1 JKGF C[C@H](Cl)[C@@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687770 HWVQWJBOLAMRAT-SMDDFHAHSA-N 461.766 5.218 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2csc3ccccc23)N1 587858461 QVXSILGWFSYFNQ-NSPYISDASA-N 469.217 5.976 50 1 JKGF N[C@H]1CC[C@@H](Oc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 1772613308 QZWYWPINEUBTCZ-DPQULTLHSA-N 453.623 5.820 50 1 JKGF CC1=CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]2(C)[C@H]1Cc1cc(O)c(CC(=O)O)cc1O 2356438906 XKOLGDSEOPITRU-FDSZKQNJSA-N 451.401 5.440 50 1 JKGF O=C(N/N=C\C=C\c1ccccc1)c1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)nc2ccccc12 95555728 AKSIRSMFAMAZMB-NLSNOUPWSA-N 464.485 5.018 50 1 JKGF CC1(C)C(=O)OC(=O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C 299882630 QBSSDCHQINCLNL-QAPLVQKNSA-N 484.677 6.083 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CCl)cc2)[C@@H]1c1ccc(F)cc1 587325212 CWAVIIQJDJYFSX-IAPPQJPRSA-N 458.916 6.573 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 587372345 PLBCFHHSAYKQBZ-HSZRJFAPSA-N 473.798 5.847 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccc(Cl)cc4)no1)[C@@H](C2)C3=O 587413045 LXNJIGHZLDTWBC-YCRPNKLZSA-N 460.711 5.041 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(Oc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587415781 XHDUYGIAJJZIEH-WJGUHTKASA-N 465.343 5.914 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)CC2=O 587459391 IJENMHNVULXQCB-MUUNZHRXSA-N 495.402 6.437 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCC1=CCCCC1 587499568 VRZVTEURKLLMFY-MUUNZHRXSA-N 452.038 6.974 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)s2)N1 587848647 OZDNUVKVYFOMFB-AYVTZFPOSA-N 498.053 5.585 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)c2ncccc2c1 587876890 PULMUOYTQDANAS-UHFFFAOYSA-N 462.174 5.147 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@]23N[C@H](C(=O)O)Cc2cccc(F)c23)N1 962897705 LISYNSLENALQCW-QSJFZTKYSA-N 475.539 5.018 50 1 JKGF Cc1cc(C)c(C)c([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1C 963200736 RYDGFHHTSYBLSF-GHTZIAJQSA-N 460.323 5.674 50 1 JKGF C[C@@](O)(COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857607590 ONFNZXDPGBHJTK-MRXNPFEDSA-N 465.362 6.131 50 1 JKGF NC(=O)N/N=C/c1c(-c2ccccc2)n(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 103220624 HYAVMHFDRRBJDW-BIZUNTBRSA-N 472.548 5.860 50 1 JKGF CCOC(=O)[C@]1(CCBr)CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 586994387 ZCTDQQXSGCLWOS-VWLOTQADSA-N 464.359 5.287 50 1 JKGF CCCc1sc(N)nc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587012560 CEVFHLQIXRFPFJ-UHFFFAOYSA-N 463.295 6.641 50 1 JKGF COC(=O)c1cccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587054673 HRFYULIYRKPFQF-LFIBNONCSA-N 465.340 6.128 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@@H]1c1ccc(F)cc1 587328964 WROUPYCIPDNPJY-SQHAQQRYSA-N 477.919 5.631 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 587685239 OQZJERBLEIJLAG-LRTDBIEQSA-N 453.783 5.343 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587686454 CTRXLFRQROKINA-LMKMVOKYSA-N 489.860 6.629 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 963058153 QINBCMJCAMFFBO-MUUNZHRXSA-N 488.418 6.673 50 1 JKGF Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3c2cccc3P(=O)(c2ccccc2)c2ccccc2)cc1 1857754693 JXGUAJJEZHLRCQ-ZWXJPIIXSA-N 499.594 7.323 50 1 JKGF CC(C)N(C(=S)N=C1SS[C](NC(=S)N(C(C)C)C(C)C)N1c1ccccc1)C(C)C 2356320789 LUQIXEWEMGDMPI-UHFFFAOYSA-N 496.817 6.088 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@H](C(C)=CCC[C@]2(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)C[C@@H]1O 2356448442 DFJMIRLFDMBSHL-YUCFEETJSA-N 490.725 5.823 50 1 JKGF C=C1CC[C@H](Br)[C@@](C)(CC[C@@H]2C(=C)CC=CC2(C)C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356791088 GJYKQVNCEWWQDZ-QRSXMVCTSA-N 487.478 7.308 50 1 JKGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 169370684 CFAGZVWUNVZOHJ-LAJGZZDBSA-N 460.639 6.352 50 1 JKGF COc1ccc([C@@H]2/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 195386469 WCLXKKILRDJVKN-URFKUNIZSA-N 493.764 7.388 50 1 JKGF C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1ccc(O)nc1=O 254240966 ZUYKHQFLMLDXJZ-YXYSEUPNSA-N 496.797 5.451 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1sc3ccc(Cl)cc3c1C)CC2=O 587493244 CQECLBZFXHQKAF-QFIPXVFZSA-N 479.823 6.777 50 1 JKGF Nc1c(Cl)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587537819 KOYYBTMUJKIFKG-DYESRHJHSA-N 495.156 5.533 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1Cl 587554014 CIQKFPNAZYBJNJ-WIYYLYMNSA-N 463.686 5.437 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 587672286 ZIPCSMWBDPWIGL-JWCBKOKGSA-N 496.218 5.034 50 1 JKGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587673938 RTVLOWXFUQMISJ-MLCYQJTMSA-N 477.599 5.423 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587688224 JTRPJHULXMLFKA-HIMNYSJASA-N 479.777 5.698 50 1 JKGF C[C@@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857608913 BPQMRZSSLFEMFE-MRXNPFEDSA-N 465.362 6.131 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802493 WPOIKWAUAJRGRD-IOGCOABSSA-N 475.492 5.050 50 1 JKGF COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 45288032 SEGKRASFEMHMTC-JFLMPSFJSA-N 465.469 5.064 50 1 JKGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 45347595 YZYOKRIVDBHSFB-VPUKRXIYSA-N 486.803 6.280 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1c[nH]c2ccccc12 64447708 FCRUGXQDBKZMOE-QHCPKHFHSA-N 452.564 6.147 50 1 JKGF C=CCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](C)Cl 141155428 BCHIOUHGRHUBMI-PLJUSGQGSA-N 478.693 5.758 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC(C=O)=C(O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299814817 HILDOMZMECOQHZ-AORDTYNOSA-N 498.748 7.518 50 1 JKGF O=C(CSSCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 299836378 ZLMQGWVNCHRKOP-UHFFFAOYSA-N 460.212 5.659 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cccc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056153 NUQRLUDDYNMVCU-XNTDXEJSSA-N 475.301 7.360 50 1 JKGF COc1cc(OC)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587057608 VRFMFHPAXXMVIP-CXUHLZMHSA-N 467.356 6.359 50 1 JKGF N#Cc1cccnc1NCc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587230860 NNBGZNOWVZNXLQ-UHFFFAOYSA-N 451.424 6.766 50 1 JKGF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 587245875 AGLNMVMYKRKMKP-GOSISDBHSA-N 498.315 6.334 50 1 JKGF C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327020 ODSSDNMDBIEUSB-GJZUVCINSA-N 479.891 5.729 50 1 JKGF O=C1C[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)Oc2c1ccc1c2CCCC1 587509997 VFWIGEGAYBBXGH-JOCHJYFZSA-N 461.871 5.264 50 1 JKGF O=C1C[C@](CBr)(c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587511082 ZZHLHFMTDVJVAA-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1C(F)(F)F 587550098 STKHAIZWYADVCD-GHTZIAJQSA-N 497.238 5.802 50 1 JKGF Cc1cc(Cl)cc2c(OC(=O)Cc3ccc(CBr)cc3)c(-c3ccccc3)[nH]c12 587623254 BJYPRXUHXIRBIH-UHFFFAOYSA-N 468.778 6.840 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684568 LBUCUEXRMFFYAM-FPTDNZKUSA-N 467.810 5.589 50 1 JKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]12c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 963191758 HSQCOPDKJQGQCB-IZEXYCQBSA-N 488.974 6.025 50 1 JKGF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356599726 KBSDBYDTKXUZDW-LBERZGLCSA-N 493.614 8.686 50 1 JKGF CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)CC[C@@]3(C)O 49762205 OBFXRJSCWYURMT-KKVUZGIASA-N 466.298 5.135 50 1 JKGF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587142269 QOWNRFXOZUCMGC-UHFFFAOYSA-N 496.252 5.436 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 587323239 QKDDJEKCVRHLIY-UKILVPOCSA-N 467.334 5.669 50 1 JKGF CSc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377145 QRPXLQZBZDLMMS-FYYLOGMGSA-N 473.363 5.903 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)CC2=O 587460948 LFHDNDFJHGSGSC-LJQANCHMSA-N 479.239 5.897 50 1 JKGF O=C1C[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587503611 HXNBAZLUQZPYGK-HXUWFJFHSA-N 461.224 5.517 50 1 JKGF O=C1C[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503995 DOXZQDBOGRQDSP-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Oc2ccccc2)cc1 587545294 QMULILMZYCEXTG-SQHAQQRYSA-N 458.897 6.280 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cn(C)c3ccccc23)N1 587671958 CCTWEWQAIWPTGD-FKIZINRSSA-N 466.192 5.253 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587689212 QVLMXSINZFJIMX-UAVUOLJFSA-N 466.866 7.116 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 587689805 WJYNMBZTFLIDPA-XYMSPTNWSA-N 458.762 5.473 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl 587702590 DRIKZRLAFKBHLM-VJICWTENSA-N 465.278 7.057 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2F)N1 587722749 ZYNSZDMWOFKINY-MGNBDDOMSA-N 479.590 5.897 50 1 JKGF Fc1ccc(F)c([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962633625 LXPJWJCONNMDQM-OFVILXPXSA-N 469.373 5.350 50 1 JKGF N#CC1=C(NCCC(=O)O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O 1857746779 FWJMOAWZSBQTJU-UHFFFAOYSA-N 479.355 5.249 50 1 JKGF Cn1c(SSc2c(CCCC(=O)O)c3ccccc3n2C)c(CCCC(=O)O)c2ccccc21 13832603 ODNORDFRKWRXFV-UHFFFAOYSA-N 496.654 6.284 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O 28647094 KZMOSVHCAINXLS-QVQXMAGZSA-N 488.709 5.409 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc(OC)cc3)ccc21 299862381 JOGKAXCICSATLE-RWPZCVJISA-N 481.383 6.193 50 1 JKGF Nc1c(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587134549 JADLYRPGAXQALZ-UHFFFAOYSA-N 450.177 6.510 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)cccc1C(F)(F)F)CC2=O 587460783 JPKNKDHIFKIENQ-LJQANCHMSA-N 461.249 5.758 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1csc2ccccc12 587619341 RWGDGGNJRJYXSH-REWPJTCUSA-N 467.340 5.859 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 587724403 HSFCKRBUJVKQKB-TWOIEQCOSA-N 477.162 5.622 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845061 MNPJMMSYNYJGPI-YPMLDQLKSA-N 460.199 5.887 50 1 JKGF C/C(=C\C(=O)O)c1ccc(N(CC(C)C)CC(C)C)c(NC(=O)N/N=C/c2ccccc2)c1 1857597163 JQBJHWCNMMFPQL-AVHNSXRFSA-N 450.583 5.449 50 1 JKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)CSSC1 2356657874 WRNXKFZWVQVLEV-INIZCTEOSA-N 486.659 5.212 50 1 JKGF 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=O)C(C)(C)C[C@H](O)C1 14442992 XKHIQCGFLUMFAH-MPWWCMQKSA-N 458.686 8.249 50 1 JKGF CCCNC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 253684228 LCQQCSZUBVXWDG-UHFFFAOYSA-N 468.361 6.092 50 1 JKGF [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321349 JBBDFOYPFMAOQE-UNMCSNQZSA-N 468.282 6.122 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546689 XFRLVVDIFNNHTB-SHQCIBLASA-N 450.962 6.611 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1 587547433 LKTRLIDDMTWVSC-WIYYLYMNSA-N 479.248 5.663 50 1 JKGF CSc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1NC(C)=O 587612952 LOVXFQVIYJEVQK-XUZZJYLKSA-N 469.946 5.168 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br 587678056 MVLAEAMIWIEGPN-BUXKBTBVSA-N 475.627 5.984 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C 587689043 PBMUYECOIOHFRY-AMXDTQDGSA-N 485.825 5.220 50 1 JKGF Fc1cc(C(F)(F)F)cc([C@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962715107 SMOVAMWZGNMSNN-OXQOHEQNSA-N 492.351 5.986 50 1 JKGF O=C(Cl)c1ccc([C@@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963191901 ZVSCCYFTAJCBFP-YVEFUNNKSA-N 486.195 5.143 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(-c2ccccc2)c(F)c1 95809752 FFWBPUSDVIVANV-VUTHCHCSSA-N 461.537 5.628 50 1 JKGF C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587191398 OKAAZGGGZVWUSL-VIFPVBQESA-N 468.245 6.994 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(OCc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587415591 VGSRLSHOXYMZFO-BVRTZSTKSA-N 479.370 5.701 50 1 JKGF [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538989 TVHZEHAORUZFQK-WIYYLYMNSA-N 452.264 5.586 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CC1)[C@H](Br)c1ccccc1F 587569162 PEPYCHHICZLMMY-TUACAJSNSA-N 469.306 5.778 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587685766 AZZBJTCEIHIHHU-IZHWHUGBSA-N 475.833 6.321 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587714518 ABXFXXIZPCMCFQ-DYZYQPBXSA-N 497.124 5.660 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(Cl)s2)N1 963181375 GXGCYQPTQZCXSW-ABAIWWIYSA-N 489.140 5.311 50 1 JKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O[Si](C)(C)C(C)(C)C 1857633467 SCAKGIWGQUBTJI-LKWMMUANSA-N 462.703 5.200 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](C[C@H](O)[C@H]4[C@@]5(C)[C@@H](O)C[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356571649 XQHQIRVSHQEBJY-SZSGLBRWSA-N 472.710 5.145 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)[C@H](C)CCC(=C(C)C=O)[C@@H]1CCCO 2356652637 KGNYOYQNEUDLHE-IICWPQHPSA-N 458.727 7.497 50 1 JKGF O=[P@](Nc1ccccc1)(Oc1c(F)c(F)c(F)c(F)c1F)N(CCCl)CCCl 1859042 IWBODMDHAICZHD-MUUNZHRXSA-N 463.170 5.761 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40395720 URDLCVRXQXLMDY-ADKFBQBXSA-N 493.142 5.537 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)CC2=O 587466910 QHEUPRZIKACFLI-DYESRHJHSA-N 457.286 5.492 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(Cl)cc1 587500232 ZHZZZLRPCAFCKA-NDEPHWFRSA-N 482.451 6.979 50 1 JKGF CCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671898 BFTVRKNUPZKZLR-RNODOKPDSA-N 455.209 5.713 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(F)c2F)N1 587715606 IIDUNIVYQPGJAC-CQLKUDPESA-N 467.098 5.178 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587851809 COPWHOCBNNTCMD-GIPWTMENSA-N 468.823 5.469 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCCCCl)c1ccc(C#N)cc1 961780609 WBGWCHBHCBDHGU-NDEPHWFRSA-N 480.052 6.362 50 1 JKGF C[C@]1(c2cccc(CCl)c2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963001270 AFABCEPKFGBTGH-HOFKKMOUSA-N 493.390 5.975 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447685 QORDSPYNXONHLR-KXZZPGAFSA-N 472.532 6.948 50 1 JKGF N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc(NC(=O)c2ccccc2)o1 82158251 WBVIADFIMBOABR-PGMHBOJBSA-N 458.481 5.239 50 1 JKGF Cc1cc(C)c(NC(=O)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c(C)c1 299824437 GXPYEOVQPNOFQW-UHFFFAOYSA-N 482.628 6.094 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587009337 AHAYVQFNWKLNGH-HNNXBMFYSA-N 499.718 5.464 50 1 JKGF Fc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C(F)(F)F 587098673 WTJZJNSADAIKAF-UHFFFAOYSA-N 485.169 7.808 50 1 JKGF O=C1C[C@@](CBr)(c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587507429 MBZOTRONYQXZBY-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587673912 RJEFXNQZWYUIKM-QGHHPUGFSA-N 454.141 5.703 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 587687672 ZQWPFWSEMUBNDJ-DAOPMYJZSA-N 456.742 5.774 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)c(C)n1-c1ccc(OC(F)F)cc1 963099595 PLDDGJWXPMFELX-INXRYCJYSA-N 488.981 6.726 50 1 JKGF C[C@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857597637 NSBKGWSFLLUXIL-INIZCTEOSA-N 481.430 6.845 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)C1=C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@H](C)CC[C@@H](Cl)C1(C)C)C2=O 2356341357 MJOKCTHXYZUZPK-XVCRLQMDSA-N 495.443 5.936 50 1 JKGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@@H]1[C@@]1(C)CC[C@H](Br)C(C)(C)O1 2356604732 FLSDGNYXFPEZAL-BUJMLFLGSA-N 474.661 5.200 50 1 JKGF N#CSc1ccc(CCN2CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 28636672 JEIZKXMOFDMJIR-UHFFFAOYSA-N 492.639 5.926 50 1 JKGF Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 169299313 YCLFNFMIGLHWRQ-VVCVUZQUSA-N 453.347 5.307 50 1 JKGF CN(C(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)c1ccccc1 205474061 OHRZDYHTXBCADX-XMHGGMMESA-N 478.556 5.500 50 1 JKGF C=CCOC(=O)C1=C(CCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C)NC2=N[C@@H](C)C[C@H]3CC[C@@H]1N23 377813071 GGCBDHFKGZSCAO-GNXKAVGDSA-N 489.777 5.915 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325380 YCQPMTOLMQUTIG-FNFCYJGBSA-N 481.007 7.536 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)CC2=O 587456615 SGGGYAHGMYPQRD-MRDQGFSESA-N 481.386 6.781 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587504540 FCXHEHDEMSCYRP-ZSEKCTLFSA-N 453.298 6.228 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 587616179 YZIQRXMHARKORV-SHQCIBLASA-N 494.012 6.211 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)c2ccccc2)N1 587673668 PAWJUQQDFGPGAQ-ZUOKHONESA-N 455.209 5.690 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2)N1 587684109 VVKVOCZPTWANNI-ZMZPIMSZSA-N 461.600 5.757 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CC(c3ccccc3)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653728080 NQPWOUIFRBOVKK-ASDSCNALSA-N 492.612 5.960 50 1 JKGF CCCCCC[C@@H]1CC[C@H]2CC3=C4CCC[C@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356376883 ZAKAKJOGFKHZJF-DDLMJQNMSA-N 477.784 6.456 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 9035719 YCLFNFMIGLHWRQ-DWIQVCMBSA-N 453.347 5.307 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)cc2F)[C@H]1c1ccc(F)cc1 587330176 FXJNETZLYBSXSB-UNMCSNQZSA-N 481.239 5.598 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(C)cc(C)c3)c1C)CC2=O 587461172 QDXIPMASWJIFMD-HHHXNRCGSA-N 451.994 6.469 50 1 JKGF O=C1C[C@](CBr)(c2cccc(Br)c2F)Oc2c1ccc1c2CCCC1 587502097 IHCAKQKIQBLFPG-FQEVSTJZSA-N 468.160 5.723 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 587673357 MGRJFFOQVLYWLG-OSFVCNQISA-N 475.284 6.731 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682166 BPQYSQBHYQRPPV-LFPIHBKWSA-N 456.786 6.176 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 587716915 KCFQCIAXCQTIDT-CQLKUDPESA-N 467.098 5.178 50 1 JKGF COc1ccc([C@@]2(CCCCCCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962664987 KZYZWARGOGDBAE-SVBPBHIXSA-N 467.009 5.385 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962915725 BBFHXPKNWJODCS-YTMVLYRLSA-N 494.031 6.389 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnc3cc(CO[Si](C)(C)C(C)(C)C)oc3c2)N1 962943856 DDJUPKIMUUXVHQ-GDJIYFAZSA-N 475.709 7.019 50 1 JKGF COC(=O)c1coc(Cn2cc(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(C)C)C3)nn2)n1 1857544281 UKHYVGCZUNVLPD-GGPKGHCWSA-N 476.694 5.106 50 1 JKGF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCBr 64527945 NPCGNSSUDUNRJM-UHFFFAOYSA-N 463.376 5.217 50 1 JKGF O=C(NNC(=O)c1cccc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828221 TWWJEFLRIUCXCL-UHFFFAOYSA-N 475.592 5.931 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2nnc(-c3ccccc3)o2)[C@H]1c1ccc(F)cc1 587326691 MQXODGSALLLLDJ-GBXCKJPGSA-N 450.853 5.075 50 1 JKGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 587326849 NFADUXUAKSXISK-NVQXNPDNSA-N 465.908 5.254 50 1 JKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685611 AGJMGCAPQACCSC-LFPIHBKWSA-N 491.832 6.021 50 1 JKGF CC(=N)/C(C#N)=C(\O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 101848057 VSQHNECZGBSZGC-IUJMPEFFSA-N 450.292 5.196 50 1 JKGF CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 586985279 FJLIMGGKCJOGOR-LRDDRELGSA-N 495.373 5.427 50 1 JKGF FC(F)(F)[C@@](F)(Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587090476 RBVRTFFFIKVSQI-MRVPVSSYSA-N 457.543 6.906 50 1 JKGF C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556949 LCVFLGVZUNDRPI-ZRCGQRJVSA-N 475.285 5.397 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc3ccccc23)N1 587674672 YUUSVJSNRRJZAA-ZSEKCTLFSA-N 463.188 5.914 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587679141 FFFCSQDZGRSDGX-FNODVLLQSA-N 484.752 5.338 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587683981 IRKAOZHEAHLPLB-WHEQGISXSA-N 467.810 5.589 50 1 JKGF C/C(=C\CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)CO[Si](C)(C)C(C)(C)C 1857638065 JGQSMACHANJTOE-AKUXHDJGSA-N 485.634 6.088 50 1 JKGF C=C(Br)[C@](C)(Br)CC[C@@H](Br)C(C)(C)Br 1635867 NPUWTHRIMANTOV-PSASIEDQSA-N 455.854 5.766 50 1 JKGF COc1ccc2c(C)c(CCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(=O)oc2c1C 586918073 IFBBAXVEDJMGGI-UHFFFAOYSA-N 474.451 6.737 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587208875 DUCJRHXKHFMNTL-UHFFFAOYSA-N 490.968 5.837 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(CBr)c1 587539649 XBUPSOAOEVRDEB-SQHAQQRYSA-N 487.349 6.193 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616561 DUUQQKYRNSOARD-ZNSVGSLASA-N 462.914 5.248 50 1 JKGF CCN(CC)c1ccc([C@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc1 621477863 RGLAKHHGNLHBEQ-QHCPKHFHSA-N 486.929 5.584 50 1 JKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(CBr)c1ccc(C(F)(F)F)cc1 962702140 MBHMTCOTPWPFQW-JXFKEZNVSA-N 474.361 5.847 50 1 JKGF COc1ccc(/C=N/c2ccccc2C(=O)NNc2ccnc3cc(Cl)ccc23)cc1OC 1772644299 INLZIQVYCNEFKX-RWPZCVJISA-N 460.921 5.413 50 1 JKGF CC1=CCC(=O)C=CC=Cc2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SSC(=O)[C@@H]2C 1857627368 OHNSBMVHBYTGJO-WJONJSRFSA-N 462.662 5.276 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1ccc(C(C)C)cc1 13439047 POMDFIAGRWBFAV-MZJWZYIUSA-N 452.938 5.521 50 1 JKGF CCC/C=C(\CCC)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1 42920122 YEAAJSCMMJDKLF-HGKYZCHESA-N 485.530 7.792 50 1 JKGF CC(C)OC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71329871 SYEALZLPKRHQCF-UHFFFAOYSA-N 453.583 5.817 50 1 JKGF C=C(/C=C/C=C(\C)CCC=C(C)C)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 238741044 CKYPHBIOFUNLLX-JQZAIFGVSA-N 470.694 5.998 50 1 JKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](Br)C(C)(C)O 473123223 LGDQHJXARMHVRI-QQBOBMDFSA-N 466.298 5.754 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058410 YUJZRQYNFUGKQQ-NTUHNPAUSA-N 477.182 7.043 50 1 JKGF NC(=O)Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587242371 RDJFOQMWGGIQQI-UHFFFAOYSA-N 457.222 6.140 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(OC(F)(F)F)cc4)c1C)[C@@H](C2)C3=O 587423171 RXYBHNZZCDXACG-RDPSFJRHSA-N 491.893 5.883 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)CC2=O 587457427 ZCWRGFZGZULXRP-MYUZEXMDSA-N 495.413 6.568 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 587541520 CEPIPSGDHNZPOB-RPLLCQBOSA-N 487.895 6.063 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587544329 NSHGYEJZCUKUGK-GGXMVOPNSA-N 487.983 6.512 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587545224 QELCPWNWJCVMTN-LBNVMWSVSA-N 473.956 6.204 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587672998 JJPUVTJKEOCFEE-OVWNDWIMSA-N 487.594 6.161 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@H](C)c1ccccc1 587688788 OFYMZELRYHAHHB-HMFAJSFMSA-N 489.860 6.632 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(CC(F)(F)F)cc(-c3ccc(Cl)s3)c1)(C(C)C)C(C#N)=C(N)O2 1772648496 ZRVITFSKHPEOLV-HSZRJFAPSA-N 492.954 6.233 50 1 JKGF CCN(CC)CCCn1cccc1/C=N/NC(=O)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857648594 PLQRSDNNTLGCSM-UXHLAJHPSA-N 491.571 5.135 50 1 JKGF COC(=O)C[C@@H]1C(C)(C)[C@H](Cl)[C@H]2C[C@@H]3C4=CC(=O)O[C@H](c5ccoc5)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2=O 2356307628 HOTHINYOYDJGOT-HQXQDIETSA-N 489.008 5.258 50 1 JKGF CCCSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 28862126 SQVHDWXVHYTEIC-LJQANCHMSA-N 458.418 6.706 50 1 JKGF CSc1nc(Nc2cccc(Br)c2)c2cnn(C[C@H](Cl)c3ccc(F)cc3)c2n1 28862135 VHLDCFYRQZGLBG-KRWDZBQOSA-N 492.805 6.174 50 1 JKGF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 34275556 CUWJDZXEDIUEEW-HLFHJSLSSA-N 486.737 6.325 50 1 JKGF CCOC(=O)/C(C#N)=C\C=C1C=CN(CC(=O)N2c3ccccc3Sc3ccccc32)C=C1 95597878 MYGSHGWLQCOIII-NDENLUEZSA-N 455.539 5.098 50 1 JKGF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587160703 FOSULESXXRAIKA-NEPJUHHUSA-N 457.237 7.393 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 587324041 VQBNAYHTEHNIQF-RBBKRZOGSA-N 472.266 5.089 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N=Nc4ccccc4)cc1)[C@@H](C2)C3=O 587414087 RTGSVNDNWMOFHA-RDPSFJRHSA-N 463.331 6.148 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587672197 DZGSNAJUMXSTMV-YEJXKQKISA-N 469.236 6.058 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587684496 KPSDSCSUZHDOAF-DMZKTXOQSA-N 467.810 5.589 50 1 JKGF CC(C)c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587686171 BWVSJVCFUKBJQR-CMJOXMDJSA-N 452.839 6.852 50 1 JKGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\NC(=O)c4cccnc4)[C@@](C)(CC[C@@H]21)C3 198962123 QCJQKUBLGLHJTP-UPEFADBOSA-N 451.611 5.143 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(CNC(=O)CCCC[C@H]2CCSS2)c1-3 299807402 DBDQKQSAUAJXCP-UKILVPOCSA-N 480.743 6.549 50 1 JKGF NNC(=O)c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 587111580 LNBZFYYCSZTPAQ-UHFFFAOYSA-N 464.369 5.538 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@H]2Br)[C@@H]1c1ccc(F)cc1 587324730 UBVVWNUYALDTAJ-AKFKNWHVSA-N 453.307 5.495 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F 587330147 MNWYLDMEHLXSKS-GMAHTHKFSA-N 481.873 6.005 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587337013 UMZQIYMGEWOUSY-GMAHTHKFSA-N 475.285 5.328 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)c1ccccc1)CC2=O 587457415 YXTAGIYKWIVWDV-DQEYMECFSA-N 451.360 6.342 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711609 LHGAVKCKUBCPPX-DYZYQPBXSA-N 481.125 5.780 50 1 JKGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2cc3ccccc3s2)N1 962968616 CXNQXMMLIIIWIK-YJYMSZOUSA-N 472.738 5.070 50 1 JKGF C[C@@]1(c2cccc(CCl)c2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963001279 AFABCEPKFGBTGH-YIXXDRMTSA-N 493.390 5.975 50 1 JKGF COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCC(Cl)Cl 2356326206 VKISHKUYLSSBSY-LEWJYISDSA-N 486.952 6.491 50 1 JKGF C=C(CC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OC(C)=O)CC[C@]12C)OO3)C(C)C 2356568448 BJONRBZQRQKREG-UKJJQLFTSA-N 470.694 7.189 50 1 JKGF C[C@](Cl)(C=C[C@H](Cl)[C@@](C)(Cl)C=CBr)C(Br)Br 2356629873 SULCBXDYEPVPKS-HGNGGELXSA-N 478.277 6.170 50 1 JKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](I)[C@H]1CCC(=O)O1 28337163 XAUVUVPAWZOGHZ-YNFNSHQQSA-N 468.419 7.027 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 33831935 KWHXMASXPBOSRE-JKIIOOKNSA-N 458.727 7.641 50 1 JKGF Cn1ccc(=Nc2ccc(C(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 377829929 OJFVOBHNKOEXSB-UHFFFAOYSA-N 478.423 5.926 50 1 JKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](Br)C(C)(C)O 473123224 LGDQHJXARMHVRI-VROUVPMXSA-N 466.298 5.754 50 1 JKGF O=c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)n1CCOc1ccccc1Cl 587064011 IVQQRORMGBUFPI-UHFFFAOYSA-N 491.869 6.781 50 1 JKGF C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320700 GVQLWMROBPIKLA-WYJOSGEYSA-N 472.148 5.196 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)(C)C)cc1 587496555 DWTYQZZNRCFQIY-PMERELPUSA-N 476.060 7.370 50 1 JKGF COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587544712 OVQLMHLUTXWWHR-LSYYVWMOSA-N 489.955 5.904 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546691 XFRLVVDIFNNHTB-SQHAQQRYSA-N 450.962 6.611 50 1 JKGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587676333 GMNKWRTZEBPQJB-YPMLDQLKSA-N 477.599 5.376 50 1 JKGF Fc1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)ccc1CBr 962963186 WGRAMGDGLAJQNI-LJQANCHMSA-N 458.293 5.480 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1cc(C)n(-c2ccc(SC)cc2)c1C 963062123 ZWDIHPONGFWJDY-MHZLTWQESA-N 478.061 6.001 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963194503 NAAMLMVWWCIOAE-DGYBNRFQSA-N 487.485 7.134 50 1 JKGF C=C(CCC=C(C)C=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C 2356540584 CPCXHJGLQHAOKZ-JOCOGBLGSA-N 454.695 6.693 50 1 JKGF C=C1CC[C@@H](Br)[C@@](C)(CC[C@@H]2C(=C)CC=CC2(C)C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356791090 GJYKQVNCEWWQDZ-WWUAOZGZSA-N 487.478 7.308 50 1 JKGF 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)CC[C@]23C)[C@@]1(C)N=C=O 43569769 MBQHMNWMGLHFJP-IXXMLKCKSA-N 495.748 7.664 50 1 JKGF C=C1[C@@H](C)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@H]1OO 255247455 NOPDNDHQMGCGJR-CLDAMYHWSA-N 474.726 6.464 50 1 JKGF Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 377406479 VXMCGDYMISMIHO-UHFFFAOYSA-N 493.438 5.947 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1 587059739 UXJQSTGVDVYELD-UHFFFAOYSA-N 461.681 7.421 50 1 JKGF CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319783 CZWFDSLMAZXJBN-CVDCTZTESA-N 479.342 5.003 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587324029 VPVQRXOXORSUCH-ISKFKSNPSA-N 487.321 5.198 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O 587462406 ZFFHIOBBBLKKKA-RUZDIDTESA-N 492.830 7.159 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587542233 GHWORCZCVSTQTD-LBNVMWSVSA-N 473.956 6.204 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 587543585 COMRFQQAGYDQBM-GHTZIAJQSA-N 497.238 5.802 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl 587546821 YAFYCZNZJAOVNM-LAUBAEHRSA-N 470.135 6.360 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587855058 TWYFJGYESBNDFQ-YBTHPKLGSA-N 468.823 5.469 50 1 JKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1C 587922625 RLUQXWSNYZSDHX-HMAPJEAMSA-N 458.606 7.249 50 1 JKGF Cc1cccc([C@]2([C@@H](C)Br)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961778791 SEBWDZJIMFWSSY-WXTAPIANSA-N 485.466 6.173 50 1 JKGF Cc1cc2c(cc1F)[C@@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)NCC2 962094470 SURZFCYEEYGXQB-HSZRJFAPSA-N 451.800 6.477 50 1 JKGF C[C@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857613514 IVOWKYWTQLNZGI-INIZCTEOSA-N 465.362 6.131 50 1 JKGF C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@H](C(=O)O[Si](C)(C)C)[C@H]1[C@H]3C(=O)O[Si](C)(C)C 2356448508 FYBDWRRBWHRIAY-AWGXNBNZSA-N 476.762 5.337 50 1 JKGF C[C@]12CC[C@H]3[C@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 26402442 MQOUPVQZLSJCNN-SXYOPXHKSA-N 483.656 5.771 50 1 JKGF CC(C)c1ccc(NC(=S)N2C[C@@H](CI)S/C2=N\c2ccccc2)cc1 82052416 ADOBFZKLMVFTGQ-HBWVRPOVSA-N 495.455 6.047 50 1 JKGF CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)C/C=C(/C=O)CC/C=C(/C)CCC1=C(C)CCCC1(C)C 238783852 PRJYGULWSUVOHQ-JYPPNIHRSA-N 458.595 5.268 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 587322592 NLXVDHWERHLGFU-UNMCSNQZSA-N 496.159 6.487 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 587323835 UPUXTPHZLUNSHY-UGKGYDQZSA-N 496.159 6.487 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325749 HAJYJPTZMBIORW-DTNWAODDSA-N 471.956 5.650 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)CC2=O 587449358 ADZMVWIPAZBRMG-IBGZPJMESA-N 499.155 5.230 50 1 JKGF O=C1C[C@@](CBr)(c2sccc2Br)Oc2c1ccc1c2CCCC1 587532706 SBWWAKGHDKDERV-GOSISDBHSA-N 456.199 5.645 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 587674273 VRIYWXFIGIDGEP-NPMXOYFQSA-N 489.226 6.309 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587682262 CAJPNOBCZAERPA-NPMXOYFQSA-N 452.839 6.683 50 1 JKGF Cc1c([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c2ccccc2n1C 962917904 HGTAGDXJPOAULU-HOFKKMOUSA-N 476.960 5.066 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356780299 SAHIKVQGOJYFEX-LIUKAWEGSA-N 470.738 7.353 50 1 JKGF CC(C)(Cl)[C@H](Br)CC[C@@](Br)(CCl)[C@H](Cl)CBr 73371406 WABYMNUXOPLVSB-NQMVMOMDSA-N 482.309 5.922 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCc3ccc(C(=O)O)cc3)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100843257 HANVPHIJCTTYQV-BHIAYKMLSA-N 486.483 5.042 50 1 JKGF N[C@@H](Cc1ccccc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587057950 ANQIJZBXMTVALO-LBPRGKRZSA-N 476.696 6.879 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587319443 BGOABNVCOMIOMZ-GMAHTHKFSA-N 491.740 5.843 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587499245 LPXHXPMAHDPSFR-MZNJEOGPSA-N 478.427 5.311 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671583 URNOXNMZQUFWSY-GTQRCTGISA-N 483.263 6.348 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCBr)cc2)N1 587672686 HCKAKJDTYSSZGS-CWTRNNRKSA-N 457.181 5.376 50 1 JKGF CC(=O)Oc1cccc([C@@]2(CCCCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963197222 YRMATSBVKKZLHV-NSOVKSMOSA-N 458.989 5.997 50 1 JKGF C[C@@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857605201 TVDJYVKVWWROPR-MRXNPFEDSA-N 497.429 6.724 50 1 JKGF Cc1c(-c2cc3n(n2)[C@@H](c2cccs2)C(C#N)=C(c2ccccc2)N3)c(=O)n(-c2ccccc2)n1C 1618910 DIFIEMOZOPACFC-HHHXNRCGSA-N 490.592 5.359 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 64447338 ZJAXFDHOVCMKDP-MMTWIKPJSA-N 469.503 7.175 50 1 JKGF COc1ccc(-c2coc3cc(OC(C)C)ccc3c2=O)cc1N(CCCl)CCCl 84655444 ZYQRYOSMGPCYLR-UHFFFAOYSA-N 450.362 5.540 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc(F)cc3)ccc21 299866438 OZNNCHKAHQZXTO-CCVNUDIWSA-N 469.347 6.323 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 587374594 KXLSDVCVUHHIGS-RDGATRHJSA-N 482.964 5.889 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)O2 587374670 PJVZXPZIWGSMOS-PSLXWICFSA-N 460.368 5.173 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)O2 587374673 PJVZXPZIWGSMOS-QKFKETGDSA-N 460.368 5.173 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587544519 NZEGGDJADCHQPJ-MTICYMICSA-N 473.956 6.284 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)s2)N1 587849877 WUWNIRXVSCSREN-GLEZIHRCSA-N 453.602 5.476 50 1 JKGF FC(F)(F)Oc1cccc([C@]2(CBr)c3ccsc3CCN2Cc2cccnc2)c1 963001399 BKCQMCDYXYPGFX-HXUWFJFHSA-N 483.353 5.739 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C=C(C)CC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356768035 JEBJCDBLMSBFNC-OGAWYMSISA-N 474.726 6.612 50 1 JKGF COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126740 PBTLGBUWEUHXKQ-UHFFFAOYSA-N 494.595 5.362 50 1 JKGF CC1=C2C[C@@](C)(CO[C@H]3OC(=O)[C@]45C[C@@H]6CC(C)(C)CC6=C(C=O)[C@]34C5)C[C@H]2C[C@]2(C)CC[C@]12O 84690544 JVSGWCCMXPFMRE-FSLYMZMOSA-N 480.645 5.266 50 1 JKGF CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325391 DTDLQLDMIZNQGA-XNMGPUDCSA-N 481.951 5.093 50 1 JKGF COc1cccc(-c2cc(-c3ccccc3NC(=O)[C@@H](C)Cl)nc3c2oc2ccccc23)c1 587357837 MZVYWALMXAOCHX-MRXNPFEDSA-N 456.929 6.889 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1 587542673 IEDYIVWDKNGBSO-BYPCIHSKSA-N 467.949 5.085 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 587674025 SBNPSWHPEUNHKG-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587685794 BFUCTKLZCNANBC-DMZKTXOQSA-N 467.810 5.488 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587687854 IXGDLGBQXXLROU-ZAMGYDSWSA-N 496.251 6.666 50 1 JKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587958312 DTQHVWHRYZTTEM-XSCOUVMYSA-N 460.666 7.021 50 1 JKGF O=C(O)c1cccc2c1CCNC21[C@@H](Br)CCCCCCCCC[C@@H]1Br 963121028 IOBLNAUVBODBHN-OALUTQOASA-N 487.276 5.777 50 1 JKGF COc1ccc([C@]2(CCCCCCl)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)cc1 963300319 CVMGVWFPZOKVTO-GDLZYMKVSA-N 482.039 6.944 50 1 JKGF CCCCCCCCCCCCCC[C@@]1(CBr)N[C@H](C)Cc2c(OC)ccc(OC)c21 963612574 SLMFCVHKWCUBIG-AMGIVPHBSA-N 496.574 7.919 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccncc3)CC2)nc2ccsc12 1772580340 ADBIVMJNXBQNLR-ONEGZZNKSA-N 496.640 6.109 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356691385 HYJRGCBMQQQTHM-KRCBVYEFSA-N 490.725 5.584 50 1 JKGF C=C[C@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br 1635416 QTOSBTPZXCUHJE-PSASIEDQSA-N 455.854 5.418 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587009459 GNQHCHROWXGSIP-QFIPXVFZSA-N 486.000 5.960 50 1 JKGF Cc1ccc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587319455 BTTCJXKOVYCOQH-LADGPHEKSA-N 455.323 5.797 50 1 JKGF O=C1c2ccc(O)cc2O[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 587328192 UBLNYTUPTGQRMH-XNMGPUDCSA-N 478.903 5.840 50 1 JKGF O=C1C[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 587499883 VUSMKIIJZIPADP-HXUWFJFHSA-N 473.750 5.880 50 1 JKGF CC(C)(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587540068 ZUKJSAJZGBYKAI-OFVILXPXSA-N 467.359 5.942 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587707996 ZDQPQEATNVPKRP-YZOQQBSESA-N 464.684 5.370 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 42832815 OTNMMCVDNMEIGO-FZFNOLFKSA-N 470.694 6.269 50 1 JKGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 45339729 AGYMNXNTSGBRBR-LUOAPIJWSA-N 467.278 6.223 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)O2 587382051 MYMIECSDKRHNJS-QGZVFWFLSA-N 483.111 6.158 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671548 TXAVUPYHYFXYFU-RIPJAXHCSA-N 475.627 6.193 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 587689754 VSSKTFGHZYIDAM-DMZKTXOQSA-N 462.794 5.407 50 1 JKGF Cc1cccc([C@@]2([C@H](C)Br)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961778790 SEBWDZJIMFWSSY-QYBDOPJKSA-N 485.466 6.173 50 1 JKGF O=CC1=C(Cl)[C@H]([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)CCC1 963035043 ZVYKALNMGHUMJO-UTSGNWPNSA-N 497.378 5.506 50 1 JKGF CCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(C)C)CO[P@](C)(=O)F 1857603080 KAMDIPZCMWRTLU-VMQLPPIHSA-N 464.599 7.780 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])ccc21 299857884 DFXZLMSMMVJIKQ-MZJWZYIUSA-N 496.354 6.092 50 1 JKGF O=S(=O)(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950378 FLRIFQOGLKJTBV-UHFFFAOYSA-N 496.527 6.153 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H](Br)c1ccccc1 587537360 DJJNBURTJSTCAF-HUROMRQRSA-N 487.349 6.386 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)cc1Cl 587539513 WRBRECFFINWWAX-NQIIRXRSSA-N 480.141 5.951 50 1 JKGF N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587542671 IBCPPATWVKYMDD-ZEQKJWHPSA-N 458.901 5.621 50 1 JKGF CC(C)[C@@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670215 JDBYNZRBVZJJIY-SMHULIPUSA-N 455.209 5.786 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 587687738 HNUVMAIEVSVBBK-OWJWWREXSA-N 491.832 5.652 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 587719300 KYYWNYUOKWZLPS-BMLIUANNSA-N 497.124 5.660 50 1 JKGF C[C@@](O)(CSc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857551332 PCAGBEMORJGBCY-MRXNPFEDSA-N 497.429 6.724 50 1 JKGF CCC[C@@H]1C[C@@H](Cc2cn(Cc3nc(C(=O)OC)co3)nn2)C[C@H](O[Si](C)(C)C(C)(C)C)C1 1857612275 HJOLSBOMABQASP-WSTZPKSXSA-N 476.694 5.250 50 1 JKGF C=C(C(=O)C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Cl)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356406693 DHENOLVIJJTNHM-RPXFHWJUSA-N 479.101 6.096 50 1 JKGF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356628878 JHCXJIRLSJUGJL-RPQFXWDQSA-N 463.102 5.778 50 1 JKGF O=C(Nc1ccccc1SSc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1 13813288 ZQDWZKGNGJJYCZ-UHFFFAOYSA-N 468.688 7.524 50 1 JKGF O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1ccc(Cl)c(F)c1 73138163 SYPLVTPKVMVIOI-VPUKRXIYSA-N 490.947 5.221 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106462 CNGCHGRYXRPXLY-PTBRYTJWSA-N 484.511 5.503 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056636 QDSSAHFFZAEKGK-AUWJEWJLSA-N 493.291 7.499 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@@H](C)Br)CC2=O 587456598 RVAIEZNWGFAQSQ-MPBGBICISA-N 468.185 5.751 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 587457939 DRLISHBMMASJCM-HBIPHATFSA-N 489.955 5.364 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCCCl)cc1)([C@@H](CC)c1ccccc1)CC2=O 587461245 RKPVSYYWZOVEJB-ABYGYWHVSA-N 479.016 7.017 50 1 JKGF N#CCCn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587541261 AGINGJPYLOQDQZ-OZXSUGGESA-N 458.901 5.356 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 587688971 OMGFKIIFVQGQOU-PKAUSPCKSA-N 487.800 5.612 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 587857157 ZYRSRDXJMAKCLT-YZQBIIRVSA-N 496.858 5.688 50 1 JKGF COc1cc2c(cc1OC)[C@@](c1cccc(CBr)c1)(C(F)(F)F)N(C)[C@@H](C)C2 962564384 GUFBPMJUCBNARR-RBZFPXEDSA-N 458.318 5.281 50 1 JKGF CCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962922359 CPHJTWGOLQJAJC-ISCRSJHHSA-N 465.977 5.607 50 1 JKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1[C@@]1(C)c3ccccc3CCN1[C@@H](C#N)c1ccccc1)OCO2 963197522 ZISRDRLJDDPWJK-VATSPWTOSA-N 487.987 5.368 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963199292 XKZKLPGJFFLKLU-RNHNHXFSSA-N 475.386 5.565 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CCC1)CO4)C3=O 2356381839 CGYXUANFCZTNCN-MUEKUWCCSA-N 477.384 5.285 50 1 JKGF CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)cc2C(=O)N/N=C/c2ccccc2O)cc1 40380101 IWIHLUDBGMPGAG-RDRPBHBLSA-N 452.558 5.365 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H](C#N)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103036664 XHCQQXDIZNDAGY-YUSBXPFCSA-N 478.383 5.238 50 1 JKGF FC(F)(F)Oc1cccc(CSCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587123044 QTGVOOOURUVSPM-UHFFFAOYSA-N 464.403 7.552 50 1 JKGF CCCCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323515 RGYCEZIDUAURCM-BDYUSTAISA-N 497.404 6.913 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 587327366 PTSZFIQFNBHOBW-IFMALSPDSA-N 451.708 6.331 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O 587415222 QPQOSHVLSHBPFT-IEXUWNMDSA-N 469.762 6.128 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)c2ccccc2)N1 587673666 PAWJUQQDFGPGAQ-RNODOKPDSA-N 455.209 5.690 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587684541 KYAXTXRMMYWLLG-VERVWZFWSA-N 463.778 5.211 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 587733791 LYTRVINWPWIGEL-LFPIHBKWSA-N 493.823 6.211 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1cc(OC)c(OC)cc1Br 963229156 NHBMKFWWUANBHL-IVZQSRNASA-N 497.271 5.761 50 1 JKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]1/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(\C)C=O)CC[C@]3(C)O)O1 1857572020 ULPDGPJJKVQNSL-DEKHFSCFSA-N 484.677 5.430 50 1 JKGF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C 2356555404 UIBBRXVBQYADRW-MKMALEOZSA-N 477.571 8.072 50 1 JKGF COC(=O)C(=CCCCCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O)CC(=O)O 2356836437 LANWSKUNUXYAAX-UHFFFAOYSA-N 478.626 6.202 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 13607693 QVGXTQPZHCDXRZ-SFHVURJKSA-N 478.127 6.399 50 1 JKGF in-vivo C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Cl)C[C@@]43C)[C@@H]1CC[C@@H]2O 33839160 FSSASQYIDSGHST-PROZPENESA-N 461.002 5.951 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(F)c2)[C@@H]1c1ccc(F)cc1 587330989 GSSQNUUUVGUJQD-IRLDBZIGSA-N 463.249 5.459 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O 587460838 PMXOLKFECJUGBZ-FTJBHMTQSA-N 490.427 5.869 50 1 JKGF Nc1c(Cl)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587537822 KOYYBTMUJKIFKG-UWJYYQICSA-N 495.156 5.533 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2)cc1 587539458 WNMYQCZMKBZAND-RCZVLFRGSA-N 480.358 5.244 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587681752 ALIIOYFEUWIFHN-AYLIAGHASA-N 458.158 5.445 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587684744 LZARDIQNQSXVPL-ASSNKEHSSA-N 453.783 5.343 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2Cl)N1 587734773 VPMFJVUSNDYOEN-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 587740167 XAGGFIOPKSKZKL-DYZYQPBXSA-N 460.281 7.043 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951907 VFCFMSMYVJLZCZ-UHFFFAOYSA-N 469.273 7.581 50 1 JKGF BrC[C@@]1(c2ccc(Br)cc2)NCCc2cccc(-c3ccccc3)c21 962672003 XMWNHRLQBLWCFG-QFIPXVFZSA-N 457.209 5.900 50 1 JKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12)OO 2356460091 JOMWQAFTYLTZSF-AGHSNHINSA-N 498.660 5.706 50 1 JKGF CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 95809032 ZKVAZJQTKCQKSV-JJKYIXSRSA-N 494.680 6.228 50 1 JKGF Clc1cccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)c1 96272509 QNKRFRCYRMDLLE-SFHVURJKSA-N 477.193 5.834 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(CBr)c1 587539554 XBUPSOAOEVRDEB-SHQCIBLASA-N 487.349 6.193 50 1 JKGF CSc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587844756 MDYUNJLASDJVRM-YBTHPKLGSA-N 471.823 5.285 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc3ncccc3c2)cc(C(F)(F)F)c1 1857650763 UZMDDPWQWBNWAK-UHFFFAOYSA-N 477.914 6.124 50 1 JKGF C=C(C)[C@H](CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12)OO 2356575264 HASDXLPYERWHOW-BJRJEYCYSA-N 484.677 6.527 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@@H]1CC[C@H]([C@@]23C=C[C@@]4(C[C@H](O)CC[C@]4(C)C2=O)OO3)[C@]1(C)CCO 2356800327 PYCSWFKPEPDESO-LZTDOANESA-N 488.709 5.485 50 1 JKGF O=C1[C@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 1660606 IDWKHNRJAGCQDC-HZPDHXFCSA-N 456.554 5.999 50 1 JKGF CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI 45369090 XXDBCUJRUIBMAN-UHFFFAOYSA-N 492.360 6.109 50 1 JKGF CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)ccnc1CCl 71318076 LOFLTQOJPAOUCM-UHFFFAOYSA-N 486.843 6.797 50 1 JKGF C=C(C=O)[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O 207155798 OGLJBMBPKNBOON-ICQJXUMVSA-N 468.678 6.787 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ncc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 587323938 UWGOYWIAXXKPFB-RXVVDRJESA-N 497.147 5.835 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)CC2=O 587457229 WQXUNSXGMQHPPR-NRFANRHFSA-N 498.757 5.479 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1OC(F)(F)F)CC2=O 587464150 JPQGMWOWXOTQNV-LJQANCHMSA-N 459.258 5.499 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Br)c(F)c1 587559831 ZIUZGMFAPRBUKY-WIYYLYMNSA-N 463.686 5.390 50 1 JKGF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl 587684562 LBBJQTREAUFLSL-YEJXKQKISA-N 456.783 5.402 50 1 JKGF CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331975 QLDNDEXWSVLUCJ-UDULRIGQSA-N 462.908 5.408 50 1 JKGF O=C1CSc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 587373593 MGPLYYMBTTWLMO-ISKFKSNPSA-N 469.921 5.069 50 1 JKGF COc1cc2c(cc1OC)[C@](CBr)(c1cc(F)ccc1Br)N(C)[C@H](C)C2 962615932 APELDSXCXVTLGM-MPBGBICISA-N 487.207 5.120 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c(C)n1[C@H](C)c1ccccc1 963005310 HUPMAJDYTOIWIU-LYZGTLIUSA-N 476.089 6.711 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCl)(c2cccc(F)c2)N1 963175413 BJPPLAUVQSJHMF-TZIWHRDSSA-N 478.313 6.140 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2C12[C@H](Br)CCCCCCCCC[C@H]2Br 963227633 JXIMFYIUOOKXFC-UEVCKROQSA-N 499.375 7.590 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCl)(C1CCCC1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963729654 KIUIFRJFWFUNPW-HHHXNRCGSA-N 480.992 5.077 50 1 JKGF CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC(C=O)=C23)[C@H](O)O1 2356858329 SYUSWGHONLYYEF-OGUVVCMNSA-N 468.678 5.741 50 1 JKGF CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 5848834 GPRXWDOJSMVDHQ-OAHLLOKOSA-N 462.893 5.171 50 1 JKGF CSc1nc(NCCc2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 28862024 JBEFUXQRLMDHHE-IBGZPJMESA-N 458.418 5.836 50 1 JKGF CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299831087 IUZRFBJVUDOICO-YHAMSUFESA-N 496.563 5.797 50 1 JKGF COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587320059 DNBJUOBOSRALRP-FYYLOGMGSA-N 457.295 5.189 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 587322093 GCILBHPKSATBFF-ITHJLQSDSA-N 458.916 6.766 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327028 ODZZZSIHRYVVJR-VPUSJEBWSA-N 481.951 6.009 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O 587461884 UWEDJELYSYWOFA-MHZLTWQESA-N 451.994 6.469 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl 587546822 YAFYCZNZJAOVNM-UTKZUKDTSA-N 470.135 6.360 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669168 AVYVOCZWPOHAFF-NWXLUKJOSA-N 498.234 5.498 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 587672634 GROXROLLLLZRLB-HUTHGQBESA-N 482.018 6.068 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F 587712189 ZYZKQCMWKTYOGB-MGNBDDOMSA-N 467.732 5.585 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587719796 LSIJWUUIYSWMLP-DYZYQPBXSA-N 497.124 5.660 50 1 JKGF CCOc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1C 587778515 OKVXOVMREFIEIF-UHFFFAOYSA-N 457.262 7.357 50 1 JKGF FC(F)(F)Oc1ccccc1[C@]1(CCCCCCCl)NCCc2cccc(-c3ccccc3)c21 962659451 GXQCWNUJKANDNO-MHZLTWQESA-N 487.993 7.831 50 1 JKGF Cc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(C)c(C)c3)NCCc3c2c(C(C)C)nn3C)cc1C 962918230 NSDUSFMSXOOUHQ-VSGBNLITSA-N 464.053 5.657 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(Cl)cc1Cl 963203035 JMOUATQFNAXMIW-RPWUZVMVSA-N 486.240 6.755 50 1 JKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2356311963 ZELACZPTWWTTFT-ODYPGPQSSA-N 467.488 6.177 50 1 JKGF Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3ccc(F)cc3)c12 28641111 IINMPMHVNXUJHG-UHBFCERESA-N 483.934 5.952 50 1 JKGF CSCC[C@H](NC(=O)c1ccc(/C(C#N)=C\c2cccnc2)cc1-c1ccccc1C)C(=O)O 36330369 LMGSQMQVUYDBRD-TYYSXUNWSA-N 471.582 5.057 50 1 JKGF CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(O)c1 64251975 AZSYGUXQBOAJKN-QRQIAZFYSA-N 485.613 5.869 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)cc(Cl)c1OC)CC2=O 587456958 TUQAISGWFUFRER-HXUWFJFHSA-N 474.178 5.916 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(OC)cc3)c1C)CC2=O 587460430 MQLYDOWZBIOMBM-MUUNZHRXSA-N 482.020 6.114 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538613 QESLPYPMHGWNQK-DHLKQENFSA-N 482.374 5.490 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538905 SBEIURLQOAOQJB-YZKRRQQXSA-N 481.386 6.330 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 587681746 AJXHXLRYJCXUHJ-WIUDPPPLSA-N 465.750 5.309 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587855615 JVRRBUFSVZHMNO-QNYJKUAFSA-N 464.791 5.509 50 1 JKGF COCCCn1c(C)cc([C@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)c1C 961618193 YCFBRGLCMRTBBN-QFIPXVFZSA-N 451.836 5.065 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(C)C(=O)C1=C(C2=O)[C@H](N=N)C(O)=CC1=O 2356863152 VDYWANKAXXQDOQ-BXZUJWFASA-N 489.012 5.493 50 1 JKGF C/C(=N\NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(C)ccc1O 40898862 FQNVTWNNLAGDIQ-NJZRLIGZSA-N 480.612 6.064 50 1 JKGF C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SSC(=O)[C@@H]2C 473114659 OHNSBMVHBYTGJO-OYRQPNHFSA-N 462.662 5.276 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587322543 HMPYKZVCQWKPDI-JCDPWUBBSA-N 481.951 6.008 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587324998 BNDCTWVWDLPMRI-LMSSTIIKSA-N 489.974 6.740 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccc(Cl)c(Cl)c4)no1)[C@@H](C2)C3=O 587412694 JRZUOTIOUCIREM-ZSEKCTLFSA-N 495.156 5.695 50 1 JKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424078 WZYPWZZZNPNHMW-GKAFBRTNSA-N 462.973 6.150 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(Br)c1)CC2=O 587457227 WPAGCFZMOQBNFW-IBGZPJMESA-N 454.158 5.363 50 1 JKGF O=C(O)C[C@@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496880 ANUVMFOSDJPQIZ-KNQAVFIVSA-N 463.755 5.318 50 1 JKGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc(CCl)cc1 653778045 BEDCWOZMFRKDBN-WKULSOCRSA-N 478.339 5.181 50 1 JKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CCCCCl)(c1ncco1)N2C(=O)OC(C)(C)C 962701363 CIWKNRCIYHWGJU-JWQCQUIFSA-N 492.975 5.118 50 1 JKGF CN(NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1ccccc1 1772633765 YKSNUEAUKNFLSC-BMRADRMJSA-N 460.541 5.653 50 1 JKGF CC(C)=CC=C[C@@H](COO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356464277 DICZHBSJZBDKMM-NJSVPGIHSA-N 456.711 7.415 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 2356495172 IJLWXMAZQWVPRJ-NEFJCEMISA-N 458.727 8.273 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O 587427314 SJMDUFPMKCGLMK-AVRWGWEMSA-N 486.326 5.356 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCBr)cc1 587537617 IXPYRBZESWIIIP-OFNKIYASSA-N 455.304 5.259 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1cccc(Br)c1 587542512 YMYIUERDAUUOGE-SIKLNZKXSA-N 459.723 5.337 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 587690104 ZCSXAVAPGWFQHY-NEHVDEFTSA-N 463.822 5.868 50 1 JKGF COCCCN1CCc2ccc(OC)cc2[C@]1(CBr)c1ccccc1C(F)(F)F 961326877 SIWFQFLPHGLVQU-NRFANRHFSA-N 472.345 5.247 50 1 JKGF Cc1cc([C@]2(CCl)c3ccsc3CCN2Cc2ccco2)c(C)n1-c1cc(F)cc(F)c1 962704593 HDDRMJAIDGZSFL-VWLOTQADSA-N 472.988 6.568 50 1 JKGF CN1C[C@H](Cl)[C@]23C(=Nc4ccc(Cl)cc42)N(C)CC[C@]32Cc3cc(Cl)ccc3N=C12 2356808015 YJLJASXTVIZPFC-PMOQBDJRSA-N 459.808 5.436 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(C)C(=O)C1=C(C2=O)[C@H](N=N)C(O)=CC1=O 2356863153 VDYWANKAXXQDOQ-DCNFIHAJSA-N 489.012 5.493 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cccc(Br)c1 84620035 KUSVZOZKPVHHAH-AFUMVMLFSA-N 479.403 5.241 50 1 JKGF Fc1ccc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587147752 AXYTZYLOWTYXBC-DUXPYHPUSA-N 461.200 7.431 50 1 JKGF CCOC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321292 IQTBCTFCFVTWQW-DHLKQENFSA-N 499.332 5.357 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O 587468388 WUWXNQNYIWZODU-SANMLTNESA-N 489.946 6.453 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1C(F)(F)F 587550101 STKHAIZWYADVCD-RXVVDRJESA-N 497.238 5.802 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C 587687335 FZIROTSAZDNVPP-AMXDTQDGSA-N 485.825 5.391 50 1 JKGF ClP1(Cl)=N[P@]2(Cl)=N[P@@](Cl)(=N1)OCCOCCOCCOCCO2 44052715 YXXZLWFIRYHKLU-DHIUTWEWSA-N 468.966 5.890 50 1 JKGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)nc1Nc1ccc(Cl)cc1 45387449 DQRRNCBYWCGIQC-YPXUMCKCSA-N 487.696 6.568 50 1 JKGF CCNc1sc(NCC)c2c1SSc1c(NCC)sc(NCC)c1SS2 299872037 ZTLKKKZZYVPYST-UHFFFAOYSA-N 464.798 7.449 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586974531 XQEZBOSPYZTNDD-SECBINFHSA-N 451.208 6.647 50 1 JKGF O=C(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024382 XVGVJFWTWWQGIG-UHFFFAOYSA-N 476.456 5.705 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325244 CZMBPELVGGSPRP-PXDATVDWSA-N 471.912 5.146 50 1 JKGF O=C1C[C@@](c2cccs2)(C(Br)Br)Oc2c1ccc1c2CCCC1 587531019 IFXQMUSPMLEZHG-GOSISDBHSA-N 456.199 5.604 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 587543349 KIFOHFMBZUYBML-OZXSUGGESA-N 460.917 5.291 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cn(C)c3ccccc23)N1 587673790 PZBNSSGNALVADV-MPBGBICISA-N 466.192 5.253 50 1 JKGF COc1ccc2c(c1)[C@@](c1ccccc1OC)([C@@H](Cl)C(=O)c1ccccc1OC)N(C(C)C)CC2 962088247 FMZRQZRZJCXZAN-VMPREFPWSA-N 494.031 5.713 50 1 JKGF O=C(Cl)c1ccc([C@]2(C(F)(F)F)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963191894 ZVSCCYFTAJCBFP-PXAZEXFGSA-N 486.195 5.143 50 1 JKGF Cc1cc(F)c([C@]2(CCl)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1F 963863566 ZJVOLRIAJSTMLB-CRICUBBOSA-N 479.951 5.701 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1 1857652114 JEVXGVBBTAWAEV-UHFFFAOYSA-N 484.990 6.022 50 1 JKGF C=C(C)[C@H](CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C)OO 2356540965 MNBULVJBKRSNLP-UQEZDXEVSA-N 458.727 7.637 50 1 JKGF CC[C@@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356542481 SZLWSWKRZSAHBC-BKSOYUEHSA-N 484.885 9.660 50 1 JKGF CC1(C)c2ccoc2C[C@@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@@H]21 1552558 GSRPFVPTUJOGDD-WAPCQROESA-N 494.766 8.527 50 1 JKGF biogenic O=C(N/N=C/c1cn(Cc2ccc(OC(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 13492735 NIAYALDYKDUTAJ-KVSWJAHQSA-N 469.875 5.414 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(/C=N/NC(=O)c3ccc(Cl)cc3)c2c1 42922953 HQBHENCSMZTSIF-STBIYBPSSA-N 459.977 6.603 50 1 JKGF Cc1onc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1COc1ccccc1Cl 587063580 PXCVQLNPBBTJCB-UHFFFAOYSA-N 465.831 7.416 50 1 JKGF O=[N+]([O-])c1cccnc1NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587269212 SVVMOZHFVAUDQN-UHFFFAOYSA-N 474.209 5.898 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587319602 CGEZJXZZFUIWFQ-WIOPSUGQSA-N 467.334 5.756 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C 587544168 MYPMCRYFYJSSSI-ATIYNZHBSA-N 481.932 5.028 50 1 JKGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587676331 GMNKWRTZEBPQJB-MLCYQJTMSA-N 477.599 5.376 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 587689856 XHJJVBJBWPSPTJ-LMKMVOKYSA-N 493.892 6.914 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 587849963 CGEQYGGIQJNILG-LFVRLGFBSA-N 495.889 6.327 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3sccc3c2)N1 587855339 FWGLSWJIPWDDKH-WYRIXSBYSA-N 469.217 5.976 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cccc(OC(F)(F)F)c1F 963289947 SBQKSVRDHWPGJN-KRWDZBQOSA-N 497.124 5.613 50 1 JKGF CCCCc1ccc(CNC(=O)c2cc(N(CCC(C)C)C(=O)CCl)cc(C(F)(F)F)c2)cc1 1857650615 FWCLWUYFMCPLNC-UHFFFAOYSA-N 497.001 6.596 50 1 JKGF C[C@H](C[C@H](O)[C@@](O)(CCl)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C)[C@@H]1C[C@H]1C 2356495863 IDJFQGHMTPJXRG-FTLYQHBRSA-N 495.144 5.198 50 1 JKGF C[C@](Cl)(C=C[C@H](Cl)[C@](C)(Cl)C=CBr)C(Br)Br 2356629876 SULCBXDYEPVPKS-SFGNSQDASA-N 478.277 6.170 50 1 JKGF CC1(C)Oc2cc(C3(CCCCCBr)CCCC3)cc(O)c2[C@@H]2CC(=O)CC[C@H]21 64548970 MQEHHGPBZZSHMP-WOJBJXKFSA-N 463.456 6.783 50 1 JKGF C=C(c1ccc(C)cc1)[C@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653686 VFBYNCPHZPFIJO-DZMAECFFSA-N 478.541 5.851 50 1 JKGF C/C(C=O)=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 257394337 CFBBUWFXWSYJHB-LVNFQGPCSA-N 454.695 6.837 50 1 JKGF endogenous,in-man COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587372070 DUKTWHMZWYITPR-DENIHFKCSA-N 491.334 5.029 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O 587461696 XYEKQVDJSHKVOQ-BDYUSTAISA-N 493.943 5.180 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(I)cc1)CC2=O 587471674 MBAPFEZTVBQHNO-LJQANCHMSA-N 456.707 5.049 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H](Cl)CCCCCCCCC[C@H]2Cl 587548629 OERAMVDTBRMIKF-VSKRKVRLSA-N 463.401 6.832 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2)N1 587677083 GJNKMWCVBLIAGK-BBATYDOGSA-N 461.600 5.757 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 587687736 HNUVMAIEVSVBBK-IZHWHUGBSA-N 491.832 5.652 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1c(F)ccc(Br)c1Cl 963225513 FDCPZKFPCMIGNY-XCLFUZPHSA-N 489.654 6.537 50 1 JKGF COC(=O)CCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23 1857600579 RLBKVFZCONQSMW-UHFFFAOYSA-N 493.382 5.337 50 1 JKGF C[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@]1(C)CC=C1[C@@]23CC[C@@]2(OO3)[C@H](C)[C@H](O)C(=O)C[C@]12C)C(C)(C)O 2356330171 PDKURZFMRJKEFO-MFYFAUFTSA-N 474.682 5.382 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356480649 LHIOARNVSADKCD-CDTAUBPISA-N 474.726 6.852 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=CCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356549740 JDISOLPITHCEHV-FECPXISLSA-N 456.667 6.798 50 1 JKGF CC(C)=CC[C@H](C)C=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356753419 VWZKPZARAHDCMM-XDUYTMKBSA-N 458.727 7.497 50 1 JKGF CC1=CC[C@H](C(C)C)[C@H]([C@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O 195413481 UNKZYPANFYTNKX-LJYAFPGCSA-N 464.722 5.120 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 587323832 UPUXTPHZLUNSHY-SIKLNZKXSA-N 496.159 6.487 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508278 UMKFXJZXSPRZJQ-RBBKRZOGSA-N 451.763 6.088 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539447 WJMKBKIDFUSJCR-ZEQKJWHPSA-N 481.386 6.377 50 1 JKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587673858 QWFPMNGHEUGROS-ZSEKCTLFSA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 587674151 TXRRAEUKQKPDDZ-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)s2)N1 587848670 PGETXYQIQJQIEQ-ANRSDYALSA-N 453.602 5.476 50 1 JKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21NCCc2ccc(F)c(C)c21 962298393 LLJPKWKTCUZRHD-SVEHJYQDSA-N 467.975 6.086 50 1 JKGF Br[C@@H](c1ccccc1)[C@@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962669122 PCHVXLGQPVPEJU-NSOVKSMOSA-N 454.411 6.879 50 1 JKGF CCOc1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1CCl 963177481 CYUXLUSGRZUQKE-YLJYHZDGSA-N 462.295 5.359 50 1 JKGF COC(=O)[C@H](CCC#CC=C(Cl)Cl)[C@@H](CCCC=CCC(Cl)Cl)NC(C)=O 2356689323 FRBZGQKWERYAML-HZPDHXFCSA-N 457.225 5.303 50 1 JKGF N#Cc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(C(F)(F)F)cc2)cc1 40863436 AKGCSQYNKIOJBT-VNINAFKWSA-N 485.469 5.454 50 1 JKGF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c1-3 72175903 JCKSBFDVTFRZJP-GGAORHGYSA-N 467.700 6.838 50 1 JKGF CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 137682940 GMTWAJWKMZXCCV-YHERWCDJSA-N 477.129 5.858 50 1 JKGF COc1cc(/C=C/C#N)cc(Br)c1Oc1ccc(N)c(Nc2ccc(C#N)cc2)n1 206918851 GTPUSKJVMGDYFC-NSCUHMNNSA-N 462.307 5.379 50 1 JKGF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@@H](Cl)c1ccccc1 253637895 MRCDCNKAWBERBK-LGJTVVIVSA-N 457.035 5.528 50 1 JKGF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)c21 587030474 FGIWQSGCQLBXAS-LBPRGKRZSA-N 459.509 8.179 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057838 XJBOHLCPBJLYQA-AUWJEWJLSA-N 459.739 7.134 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)O2 587384667 HJOZIBSGKFNHAU-DEOSSOPVSA-N 473.331 5.456 50 1 JKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544349 NUFQEQPKHUJWEN-IGBKUBFESA-N 470.952 6.846 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671546 TXAVUPYHYFXYFU-BKOMCJNNSA-N 475.627 6.193 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684002 IWNSVBAZJUKTNJ-NPMXOYFQSA-N 481.837 6.124 50 1 JKGF COc1ccc(Cl)cc1C#CCc1c(C)c(CBr)c(C)c(CBr)c1C 587898442 KBBRQYUKXNQBHV-UHFFFAOYSA-N 484.659 6.658 50 1 JKGF CC(C)(C=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C)OO 2356657223 ZDBAOIAJPYOBJF-OMDXMBAGSA-N 490.769 7.388 50 1 JKGF CCCCCCCCOc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br 587009117 WFPLMLLZAIMPLD-UHFFFAOYSA-N 458.828 5.655 50 1 JKGF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587203873 NCRFJDAZTFUTHX-NSHDSACASA-N 493.296 5.062 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@@H]2Br)[C@H]1c1ccc(F)cc1 587324731 UBVVWNUYALDTAJ-FIXSFTCYSA-N 453.307 5.495 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)O2 587371185 DSHVEZDFMVHUPF-HSZRJFAPSA-N 463.792 6.391 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 587458490 JSKAKTMNCRKWCW-WQIZZMQYSA-N 489.955 5.364 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F 587724509 IQXHSCCZRKSEDX-JBEBIEQOSA-N 493.823 6.460 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 587852201 FBTPOMYVXSWERQ-LEXZLQQCSA-N 490.829 5.987 50 1 JKGF COc1ccc2c(c1)[C@@](CCCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C(C)C)CC2 962089628 HMRAIDYWZICJNN-XMMPIXPASA-N 469.975 6.903 50 1 JKGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)n(C)c1 1652647 NUCVRSVMWQIEPX-ZNFPLGDCSA-N 480.952 5.208 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 13558238 IEXLKJSEFXEFEB-KDQGZELNSA-N 475.157 8.480 50 1 JKGF O=C(Cl)c1ccc(N=Nc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)cc1 587275949 HSMONNIMIMHPIT-UHFFFAOYSA-N 498.720 6.108 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321228 CRZATCPQJXOMLV-ZDHXQXDLSA-N 452.953 6.711 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 587542655 HZIRPIGINOSOLX-LEAFIULHSA-N 489.955 5.535 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 587672632 GRGQWSUSGOQGQS-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587711775 MFEOHHWFDLEVOI-XYZCENFISA-N 499.115 5.919 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F 587724511 IQXHSCCZRKSEDX-SHACYNPGSA-N 493.823 6.460 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Br)c(F)c2)N1 587726395 XAXZOAOBUQHMSW-XYZCENFISA-N 465.563 5.506 50 1 JKGF CCc1ccc([C@@]2([C@@H](C)Cl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963137250 HDURGEJWWYRDMP-WRHNGFHOSA-N 479.020 5.418 50 1 JKGF O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 1857760367 ROUAKSAMQHMVOK-IPPBACCNSA-N 454.917 5.157 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C(F)(F)F)c1 1857768576 QTGMIPRAEOQCMY-UHFFFAOYSA-N 489.853 5.623 50 1 JKGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356367768 DVNUPPNHQFGMGA-KODLMIKCSA-N 491.767 5.053 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356723773 TXUMQRMGEPNFCA-PLIQXMEASA-N 458.727 7.947 50 1 JKGF CC(=O)Nc1ccccc1SCCSSCCSc1ccccc1NC(C)=O 6041492 MJRSTTUCTPSJDM-UHFFFAOYSA-N 452.692 5.869 50 1 JKGF Cl[C@@H](Cn1ncc2c(NCCc3ccccc3)nc(SC3CCCC3)nc21)c1ccccc1 473135003 DSFJEXFHWGTUJN-QHCPKHFHSA-N 478.065 6.496 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057840 XJBOHLCPBJLYQA-VGOFMYFVSA-N 459.739 7.134 50 1 JKGF CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324209 XDYMYJJICMMJCZ-WIOPSUGQSA-N 499.332 5.357 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1oc3ccccc3c1CBr)O2 587377659 OQHCPVNZQGZVSD-VWLOTQADSA-N 462.343 6.127 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(Oc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587415778 XHDUYGIAJJZIEH-DIUWLVJMSA-N 465.343 5.914 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C(CCl)(CCl)CCC2(CCl)CCl 587546811 XWFZKUSZHWFREP-QGZVFWFLSA-N 490.210 5.814 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587683725 HTGISBRURCLCCW-SGANQWHYSA-N 483.812 6.753 50 1 JKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587852500 LWCZILDJWQQGKG-PHMZCQBQSA-N 489.838 5.057 50 1 JKGF O=C(N/N=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1)c1cc2c(cn1)[nH]c1ccccc12 1857758181 BTQQNJBCOITRSM-HIWRWHBISA-N 488.469 6.078 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)OO 2356345996 GMYOLHJETWNFPY-SKJVJOEPSA-N 472.710 6.982 50 1 JKGF COc1cc2c(cc1OC)[C@H](N1CCC(n3c(=O)n(CCCl)c4cc(Cl)ccc43)CC1)CC2 96933805 WPYZMTFOTQBFCP-HXUWFJFHSA-N 490.431 5.037 50 1 JKGF CCCCC/C=C\C/C=C\CCCC/C=C/N(NC(=O)COC)C(=O)CCCCCCCCC 206877511 PTGPQHFNNAPOOT-DZHQIPIVSA-N 476.746 7.790 50 1 JKGF O=C(O)c1cccnc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586967977 IAVDNSZFGSCLMH-UHFFFAOYSA-N 490.273 6.368 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(Cl)cc3F)nc3cccc1c23 587102748 FFJKNVQXMUPHPQ-LJQANCHMSA-N 466.737 6.917 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3sccc3c2)[C@@H]1c1ccc(F)cc1 587375815 UQJINPGCOOOPSX-VWNXMTODSA-N 483.358 6.395 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1ccc(Cl)cc1F)CC2=O 587467047 PSTWVFSMLZSQBK-CTNGQTDRSA-N 455.751 5.867 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1cccs1)(C(Br)Br)CC2=O 587493857 IDMNJVVBMWWCCU-QGZVFWFLSA-N 460.187 5.383 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510777 YGNXEYMFRCRWBT-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF CCCCOc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587673936 RSMLIQHDLBNVHI-SZNDQCEHSA-N 485.235 5.940 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 587679349 LTTHGRUYUUYLNR-PJYBLOJUSA-N 461.600 5.756 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 587682187 BWIUEODZUDGJER-WNSKOXEYSA-N 450.823 6.653 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 587689307 RQHIOFHFKXFBLC-CPKIHRHESA-N 483.812 6.827 50 1 JKGF FS(F)(F)(F)(F)c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 621477660 SDJORMDVWHWDGI-UHFFFAOYSA-N 478.512 6.933 50 1 JKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CBr)c1ccc(C(F)(F)F)cc1 962702165 MBHMTCOTPWPFQW-UZLBHIALSA-N 474.361 5.847 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)C=CCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356549742 JDISOLPITHCEHV-NGZLTHERSA-N 456.667 6.798 50 1 JKGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N 103951030 XOZWTUOJBUDEAX-KRWDZBQOSA-N 484.242 5.978 50 1 JKGF Cc1cccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587322854 PJEVANAVOYDWEE-AMOXOZGRSA-N 455.323 5.878 50 1 JKGF O=C1c2ccc(O)cc2O[C@](C2CC2)([C@H](Br)c2ccccc2F)[C@H]1c1ccc(F)cc1 587337731 VPXRRJWXMVKVCQ-CAOCKLPOSA-N 485.324 6.314 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 587373760 SFAWLBVNOUKKNF-SRGMZFCMSA-N 495.362 5.250 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3sccc3c2)[C@H]1c1ccc(F)cc1 587375814 UQJINPGCOOOPSX-UPVQGACJSA-N 483.358 6.395 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1sc3ccc(Cl)cc3c1C)O2 587414291 UAOXKOHDNLMRAQ-HXUWFJFHSA-N 450.785 6.009 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O 587461690 XYEKQVDJSHKVOQ-AHKZPQOWSA-N 493.943 5.180 50 1 JKGF C[C@H](Cl)[C@@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2ccc(F)c(Br)c21 587688763 NZMSTJXVTIYMKK-IDFMNXDXSA-N 461.766 5.218 50 1 JKGF CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C(C)(C)C)c1O 587921954 DMEXTBKVCUNBSD-RQZCQDPDSA-N 452.570 7.453 50 1 JKGF O=C(O)CCCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587956849 CQODHHUYZWCCDG-UHFFFAOYSA-N 456.521 8.139 50 1 JKGF CCCn1c(C)cc([C@@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1C 962957368 MYOHBPIVKOJTHZ-HSZRJFAPSA-N 454.964 5.668 50 1 JKGF COc1ccc2c(c1)[C@](C)(c1cccc(CBr)c1)N(Cc1ccc(F)cc1)CC2 963304670 UCSGGTRLLVTSOX-VWLOTQADSA-N 454.383 6.051 50 1 JKGF CC[C@@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NNC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356385475 ZIESZGFVAHAKGT-KHSPPNEKSA-N 467.742 7.464 50 1 JKGF NNC(=O)c1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 587012946 VQYGUIKXCFDTPT-UHFFFAOYSA-N 459.962 5.201 50 1 JKGF Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144237 GHKOPITVRWAGKO-UHFFFAOYSA-N 472.410 7.700 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O 587417565 NXSUUJFABBHZDE-UUOWRZLLSA-N 476.787 6.291 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587679335 FVKBRBLHQYVQNL-PSLXWICFSA-N 458.758 5.793 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 587683835 IFSOAXDOMKUYST-LRTDBIEQSA-N 453.783 5.343 50 1 JKGF FC(F)(F)Oc1cccc([C@]2(CCCCCCl)c3ccsc3CCN2Cc2cccnc2)c1 963000793 XCOKGCQJKRPLFQ-XMMPIXPASA-N 495.010 7.143 50 1 JKGF Clc1ccc2oc([C@]3(CBr)c4ccsc4CCN3Cc3cccnc3)cc2c1 963007807 JYKPZWNRPKDMRR-QFIPXVFZSA-N 473.823 6.240 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc(C#N)c1)C(Br)Br 963229622 OJKCPPYOFCTIBZ-VFNWGFHPSA-N 462.229 5.574 50 1 JKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1cccc(Cl)c1Cl 1772590723 TXXQWADUMHUBRY-XODNFHPESA-N 469.759 6.703 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NC2CCCCCCC2)cc(C(F)(F)F)c1 1857652092 BUQJBDVKJCWHJW-UHFFFAOYSA-N 460.968 6.166 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C)OO 2356559042 VNMYLOSUYWAAHM-LSFYTLNYSA-N 476.742 6.998 50 1 JKGF Cc1c(-c2cc3n(n2)[C@H](c2cccs2)C(C#N)=C(c2ccccc2)N3)c(=O)n(-c2ccccc2)n1C 5883081 DIFIEMOZOPACFC-MHZLTWQESA-N 490.592 5.359 50 1 JKGF O=C(N/N=C/c1cccc(O)c1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 45357171 NBRMRTGSNIWCBF-IPBVOBEMSA-N 468.357 5.332 50 1 JKGF COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)C2CCCCC2)cc1Cl 66148670 FETILWRZLQIJBI-XMMPIXPASA-N 477.432 5.228 50 1 JKGF O=N[C@@H](C[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 169691384 PMOLDZYUSXRAKJ-SFTDATJTSA-N 472.275 5.114 50 1 JKGF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(S(F)(F)(F)(F)F)ccc3F)c2F)cn1 224569128 FFXZPQVMGUYDNI-UHFFFAOYSA-N 493.448 7.508 50 1 JKGF 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)OO4 255274156 VVDFOIZUJIWFEH-ZEGMQHOLSA-N 470.694 7.044 50 1 JKGF CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587087709 SYFFVJJRYFEMMU-HNNXBMFYSA-N 460.756 5.201 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587322786 OSXMFQZKGSGNOV-IFMALSPDSA-N 461.714 5.834 50 1 JKGF CC(C)(C)c1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327289 ORWJANHEXQEVPN-SQHAQQRYSA-N 452.953 6.712 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1C(F)(F)F 587550167 UCBMLFBPSSSGJN-NQIIRXRSSA-N 479.248 5.663 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587858098 XXBVFRNPKIBSOL-WPOUPULVSA-N 478.818 5.534 50 1 JKGF ClCCCCCC[C@]1(c2ccc(Cl)c(Cl)c2)NCCc2cccc(-c3ccccc3)c21 962666795 LINZMTYJFRMYON-HHHXNRCGSA-N 472.887 8.239 50 1 JKGF COc1cccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c1 1772585427 GYROSWLFRAKDFC-QFIPXVFZSA-N 498.423 5.671 50 1 JKGF C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857608912 BPQMRZSSLFEMFE-INIZCTEOSA-N 465.362 6.131 50 1 JKGF COC(=O)c1sc(-c2ccc(Cl)c(Cl)c2)nc1C(Br)Br 72170919 OKLMWZVAVLGSRS-UHFFFAOYSA-N 459.974 5.692 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc(F)cc1Cl 84619052 KEFPOGQFNBBFCS-LGJNPRDNSA-N 452.942 5.271 50 1 JKGF CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC[C@@H](CO)CN12)(c1ccccc1)c1ccccc1 195242188 BBQDINFGZWRDGU-VHBXCGMBSA-N 491.792 5.359 50 1 JKGF O=S(=O)(/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 586924217 LQDABHJLCQBBLH-SREVYHEPSA-N 489.285 6.427 50 1 JKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Br)cc3)nc3ccc(O)c1c23 586985150 RIHOCSIGZWCNGS-UHFFFAOYSA-N 464.746 6.363 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 587329340 XVLPCVLKEFTHSX-KLHUDOEFSA-N 454.969 6.474 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Cl)[C@H]1c1ccc(F)cc1 587370697 AVBPBCSMAJXRSH-PXNSSMCTSA-N 467.743 5.896 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)cc1F)CC2=O 587466515 MHUNYEIPIZGKOL-LJQANCHMSA-N 472.148 5.502 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541696 DCDMGQIPBSNXJK-ZYLNGJIFSA-N 475.969 5.271 50 1 JKGF CC1(C)C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(=S)N1c1ccc(C(F)(F)F)cc1 1857533635 NUJOGRTWYUUYAR-UHFFFAOYSA-N 490.441 7.280 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(OC)c(F)c2)C1=O 1857648602 RGTUSBKUNIOSAB-JOCHJYFZSA-N 496.579 5.781 50 1 JKGF COc1ccc2c(c1)CN(C(=O)c1cc(N(CCC(C)C)C(=O)CCl)cc(C(F)(F)F)c1)C2 1857650916 PMDKSSPSVMCJLB-UHFFFAOYSA-N 482.930 5.488 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)CC(C=O)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 84703751 HILDOMZMECOQHZ-NXBPGGDHSA-N 498.748 7.518 50 1 JKGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 169328947 CFAGZVWUNVZOHJ-UNFRKHOWSA-N 460.639 6.352 50 1 JKGF CCc1ccc(/C=C2/C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O[Si](CC)(CC)CC)[C@@H]23)cc1 206984792 KQAROLOHHCECQV-NDSAJZGDSA-N 466.738 7.475 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587330041 ZYFZUERKYDKQNU-XNMGPUDCSA-N 479.935 6.084 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539320 VMYUTIYSTXEQIX-JTAQYXEDSA-N 473.750 6.076 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546925 YXIAQOGNBANCJD-HOFKKMOUSA-N 454.865 5.657 50 1 JKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568444 LWPGGHSLOXCQHI-SELNLUPBSA-N 491.740 5.911 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 587712868 RECUJLDSQPHUDF-BMLIUANNSA-N 481.125 5.780 50 1 JKGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2Oc1ccc(O)n1-c1ccnc(CCl)n1 587939053 AZLWQRDSSMEXOL-NNEOKZSZSA-N 480.008 5.721 50 1 JKGF C=CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)[C@H](C)Cl 2356585039 BCHIOUHGRHUBMI-WCBJTDJXSA-N 478.693 5.758 50 1 JKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Oc1ccc(F)cc1 98082375 MSUSGNNIYSVMGU-QHCPKHFHSA-N 455.489 5.617 50 1 JKGF N#Cc1ccc(C(F)(F)F)cc1N=NN(C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1C#N 253639369 ZYTQHCSQJBCNPW-UHFFFAOYSA-N 487.363 6.813 50 1 JKGF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)ccc12 586918499 MSOIXQIZYBHFPC-UHFFFAOYSA-N 474.451 7.248 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)O2 587392432 ZIKPFGPRPXTUIP-MFMCTBQISA-N 477.564 5.114 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(CC)cc([N+](=O)[O-])c1OC)CC2=O 587456365 NSNKTAGRUFURPZ-JOCHJYFZSA-N 478.339 5.080 50 1 JKGF O=C1C[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 587500198 SEDQXRROGCECKC-FTJBHMTQSA-N 481.817 7.216 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 587545768 PKJHIMFPGMTGEE-UFHPHHKVSA-N 468.892 5.581 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CC1)[C@H](Br)c1ccccc1F 587569163 PEPYCHHICZLMMY-ZTCOLXNVSA-N 469.306 5.778 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672224 FEZNAYWXVMDJEE-QKKBWIMNSA-N 484.251 5.607 50 1 JKGF COc1ccc(/C=C(/C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 587884391 KSJMCICHBHXQGG-HAHDFKILSA-N 475.375 5.777 50 1 JKGF COc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 653785858 BNWICJQXSUBMPV-UHFFFAOYSA-N 490.537 5.704 50 1 JKGF COc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1OCCCCl 962639161 PUIJDEXASBGCMY-UFHPHHKVSA-N 463.021 5.539 50 1 JKGF CC[C@H](C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356425534 HGBPMYUZRACDBG-DXSLHQKKSA-N 462.715 6.464 50 1 JKGF CC(C=O)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 2356667182 KICRJBQYQISQJK-QKGFNTARSA-N 458.727 6.709 50 1 JKGF Nc1ccc2c(c1)N(C(=O)c1cc3cc(NC(=O)c4cc5ccccc5o4)ccc3[nH]1)C[C@@H]2CCl 1859944 DEBRBJYFWAWRNH-KRWDZBQOSA-N 484.943 5.731 50 1 JKGF O=C(Nc1nc2ccccc2s1)c1c(C(Cl)Cl)nc2c(C(F)(F)F)cccc2c1O 29240225 ONDBGCFURMWCDL-UHFFFAOYSA-N 472.275 6.297 50 1 JKGF CC(C)[C@@H]1C[C@H](O)C=C2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)CC[C@@]3(C)O 44418969 YZPAZPZQHZGBFE-FSUCBALESA-N 464.282 5.056 50 1 JKGF biogenic C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](C(N)=O)[C@H](O)[C@](C)(N=C=O)[C@@H]5CC[C@]43C)[C@H]12 71316762 BAQXEDSBZVGWGP-XGRFIPGRSA-N 496.736 5.805 50 1 JKGF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586945344 GXLOWKGXOWYABX-ZDUSSCGKSA-N 497.511 5.653 50 1 JKGF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586971968 CJPJBXHYMAQCME-QGZVFWFLSA-N 451.486 6.331 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(C2(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587319595 CGEZJXZZFUIWFQ-DHLKQENFSA-N 467.334 5.756 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 587327984 AEFAMKATXFWXMU-KNQAVFIVSA-N 481.239 5.598 50 1 JKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373897 UHDDWFWILVORBS-GOTSBHOMSA-N 483.823 5.734 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)CC2=O 587456053 JLQSIDMJHRCMIX-LAJNKCICSA-N 453.760 5.651 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498482 HRSXZDXXKHDPCR-DNOBIOAJSA-N 477.398 7.002 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587674070 SLAKHCXMAQTTIF-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587681802 AWDCROZMNBQDMB-RZFZLAGVSA-N 470.769 5.698 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(N=C=S)ccc1Br 587896932 ROGNJRIQEMESQY-UHFFFAOYSA-N 454.176 5.201 50 1 JKGF COC[C@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCC(Cl)Cl 2356326210 VKISHKUYLSSBSY-RTWAWAEBSA-N 486.952 6.491 50 1 JKGF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2CCCCc1ccc(N=C=S)cc1 100900581 MIAOJBAWGZZMRM-VPBXCIAMSA-N 469.050 6.207 50 1 JKGF N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375147 RGHXNHPXZFWVPN-KPCPBYSCSA-N 478.932 5.785 50 1 JKGF O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587636640 ANQJXXFDANGTCC-UHFFFAOYSA-N 464.315 5.576 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674229 VDEXUBJYCMOJKG-OYHNWAKOSA-N 483.263 6.494 50 1 JKGF COc1ccc(C)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674358 WIIHIPUACZVHKG-HXPMCKFVSA-N 457.181 5.078 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 587686326 CNVWVQWJSHOAQJ-OWJWWREXSA-N 475.833 6.071 50 1 JKGF Brc1ccc2c(c1)[C@@]1(c3ccsc3CCN1Cc1ccco1)[C@@H](Br)C2 962700095 BRHUKMWANNBZFE-PMACEKPBSA-N 479.237 5.725 50 1 JKGF O=C(Oc1ccccc1)N(Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 1772592695 QEEJXIBEEHSWRF-UHFFFAOYSA-N 470.856 5.576 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(C(=O)O)c1OCc1ccc(C(C)C)cc1 13439053 WYPZPJWONFCHFD-XODNFHPESA-N 496.947 5.219 50 1 JKGF COc1ccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)cc1N 43531629 QKUMGELWEQEFRA-UHFFFAOYSA-N 499.442 5.881 50 1 JKGF N#C/C(=C/c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587186966 BQDVYXFTCSLQST-YVLHZVERSA-N 499.482 5.909 50 1 JKGF N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321262 IMTCPPROYQCPQJ-GGAORHGYSA-N 452.279 5.052 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323869 NDOAUGHTWQZLBL-STUVRUMRSA-N 453.897 5.371 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)CC2=O 587457899 DABWYLDCOHIMDA-AHWVRZQESA-N 494.931 5.360 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc3ccccc23)N1 587671773 ANPKERLUCZENIH-YEJXKQKISA-N 463.188 5.914 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 587683837 IFSOAXDOMKUYST-YEJXKQKISA-N 453.783 5.343 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 587715224 XIVIJLLMCSEKIG-XYZCENFISA-N 499.115 5.919 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 587849962 CGEQYGGIQJNILG-FATZIPQQSA-N 495.889 6.327 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629125 IWXDWLFSSHJDFU-HVNZXBJASA-N 479.023 6.104 50 1 JKGF Fc1cc(CBr)cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962634391 HLXLOGJQFCBEEE-NOZRDPDXSA-N 451.383 5.557 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(F)c(OC(F)(F)F)c1)N(C)[C@H](C)C2 962637007 OEPBVGDNCVCXHL-MPBGBICISA-N 492.307 5.256 50 1 JKGF CC(C)(C)OC(=O)N1[C@@H](CCCCO[Si](C)(C)C(C)(C)C)c2scnc2C[C@@H]1C(=O)O 963141849 JURGCBVXRAHFCZ-DLBZAZTESA-N 470.708 5.623 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(F)c2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c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l)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C/CC1)C3=O 85551885 JBVAFOMCWIFYSA-DKNYOHKGSA-N 479.400 5.619 50 1 JKGF Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@H]3c3ccccc3)c2C#N)cc1 96933511 SWIVPPUYUJQGAY-CLJLJLNGSA-N 489.966 6.167 50 1 JKGF C[C@H]1[C@@H](O[C@H](C#N)c2ccc(Br)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103036662 XHCQQXDIZNDAGY-GPOJSYBESA-N 478.383 5.238 50 1 JKGF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCC[123I] 169369570 KOHVJRAXSGONGW-GEDHATSVSA-N 453.442 6.683 50 1 JKGF CC1=CC[C@H](C(C)C)[C@@H]([C@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O 195413474 UNKZYPANFYTNKX-WKZNCHQYSA-N 464.722 5.120 50 1 JKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](Br)C(C)(C)O 473123220 LGDQHJXARMHVRI-JOMPHRNESA-N 466.298 5.754 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cccc(C(C)(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057305 VCCIBXKAUXQXEH-AQTBWJFISA-N 463.412 7.639 50 1 JKGF FC(F)(F)c1cc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(C(F)(F)F)c1 587111051 NQBKYXVQFNUXCE-UHFFFAOYSA-N 484.334 8.043 50 1 JKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496430 CTDIUGLONARNDD-POURPWNDSA-N 475.028 7.238 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)s1 587611146 FQCBOSAHTOIKLC-APWZRJJASA-N 451.725 5.359 50 1 JKGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587680688 VDTMQLBOYTWDRP-XTZNXHDOSA-N 477.599 5.376 50 1 JKGF COc1cc2c(cc1OC)[C@@](CCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@@H](C)C2 962564665 HFUDFFZLMVVBDF-QMHKHESXSA-N 471.947 6.132 50 1 JKGF Fc1cccc2c1CCN([C@@H]1CCSC1)C21C(CCl)(CCl)CCC1(CCl)CCl 962704358 KOTOGRYESBPIQF-OAHLLOKOSA-N 485.323 6.106 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587324328 XTRCJXCRIVVSQU-UPVQGACJSA-N 487.321 5.198 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C 587325761 HBZWTZYHEXNJQB-IGKIAQTJSA-N 497.950 5.564 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587325870 HEWQHDAWSMBCMW-HOFKKMOUSA-N 481.951 6.009 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 587543352 KIFOHFMBZUYBML-ZEQKJWHPSA-N 460.917 5.291 50 1 JKGF C[C@](O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857575756 RXMKMVUEVXKWCZ-INIZCTEOSA-N 481.361 6.011 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O 2356641264 KMWGWTNMXOQIAG-ZIJZQASVSA-N 466.662 6.224 50 1 JKGF CC(C)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N/N=C/c1ccc(Cl)cc1 12971214 FJTSPNNKJFEJEL-QRGARVHWSA-N 489.044 6.664 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c1-3 72175904 JCKSBFDVTFRZJP-FYYLOGMGSA-N 467.700 6.838 50 1 JKGF Fc1ccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)cc1 96272500 MEFXUBVFUNBNFN-GOSISDBHSA-N 460.738 5.320 50 1 JKGF C[C@@H](Sc1ncccn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586963055 XRDFPWCCYWTNPG-SSDOTTSWSA-N 461.279 6.626 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015193 GBRNOHMSLOEXAM-UHFFFAOYSA-N 472.291 8.318 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587322833 PDYVYEOSQFSEKQ-GCNYQIMJSA-N 483.377 6.693 50 1 JKGF C[C@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324197 XBOFZMXCWMFPKQ-ISKFKSNPSA-N 471.322 5.579 50 1 JKGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326444 LLRPYALGGVKXRO-WIOPSUGQSA-N 471.912 5.146 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 587370814 BWNPUNGPNLRTRD-RPWUZVMVSA-N 461.389 5.101 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2=O 587470726 HLPBPTQHNXPYPP-HHHXNRCGSA-N 463.936 6.732 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496750 FHRCICLQFZDQKT-HHHXNRCGSA-N 454.994 5.896 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 587543812 LLGPTNVQPFLRCB-UHSQPCAPSA-N 492.015 6.797 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 587671677 ABFSTFNDRRFAOP-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 587676742 GBDCQEWUXKLMMW-YRUZYCQGSA-N 461.600 5.756 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587683912 IJCZGGWKRFZFAC-CMJOXMDJSA-N 477.805 5.444 50 1 JKGF COCCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587686315 CHYVOKSZGJUKPN-ZSEKCTLFSA-N 457.815 5.060 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587746294 MHQQPMBNQQOKOG-ATEWIPPCSA-N 498.396 5.128 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc2cccc(CBr)c12 587876792 NHXCRAYFVULNNT-UHFFFAOYSA-N 475.213 5.946 50 1 JKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1ccc(Cl)c(Cl)c1 1772577783 NLOCUXCCJIKLBX-XODNFHPESA-N 469.759 6.703 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587009750 QLKGWWHYBWHEEF-KRWDZBQOSA-N 452.889 5.295 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016846 OOGNZEFDFQJRSF-NSHDSACASA-N 476.290 6.958 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498655 IUBXSTLIIUWCTB-DEOSSOPVSA-N 452.348 5.784 50 1 JKGF Cn1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587538796 RTZUXBMDZYGQIK-XUZZJYLKSA-N 464.315 5.136 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587683976 IRKAOZHEAHLPLB-DMZKTXOQSA-N 467.810 5.589 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587684539 KYAXTXRMMYWLLG-IPQOISQHSA-N 463.778 5.211 50 1 JKGF CC(=O)N1CCc2cc([C@@]3(CCl)c4ccsc4CCN3Cc3cccn3C)c(Cl)cc21 962378691 ZDQPPUFKMUVHRI-XMMPIXPASA-N 474.457 5.190 50 1 JKGF CC1(C)CC2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@@]2(C1)c1ccc(F)cc1C[C@@H]1CCCN12 963110062 MMBHZAXTYQGEJG-DQGPIALTSA-N 490.022 6.277 50 1 JKGF Cc1ccccc1[C@@]1(CCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963471136 MVDAWACYTGYEFP-SVEHJYQDSA-N 486.999 5.891 50 1 JKGF Cc1cccc2c1[C@](CCl)(c1ccc3[nH]c(O)cc3c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841915 SOZSYEAHPVTVRW-BCHFMIIMSA-N 484.980 5.301 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)OCCC#N 1772598789 CUGXLXTYORXILY-HWKANZROSA-N 477.524 5.900 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)O1)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356508777 PZQOXRKFZMYSOB-JEIKXUOUSA-N 464.282 5.915 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)[C@H](C)Cl 16570134 XRQATIZLYUTCBC-AVRWGWEMSA-N 467.972 5.308 50 1 JKGF C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 55840220 PCODPPHBSUYYRG-UHFFFAOYSA-O 494.446 5.944 50 1 JKGF N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933467 IUAUQYQJLPKKHM-JWQCQUIFSA-N 475.939 5.859 50 1 JKGF Cc1cc(Cl)cc(C(=O)N/N=C\c2c(Cl)cccc2Cl)c1NC(=O)c1cccnc1Cl 103217506 NIBBAMBCMJWYFP-NCAUGAEKSA-N 496.181 6.020 50 1 JKGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332508 RBBZRPMPKPWUEL-IJUYWSMASA-N 462.908 5.408 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 587333025 UVFVABUQKNQESW-ZBFHGGJFSA-N 469.175 5.222 50 1 JKGF CSc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377153 QRPXLQZBZDLMMS-GMAHTHKFSA-N 473.363 5.903 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N3CCCCC3)cc1)CC2=O 587456075 KEDJGFMBTIYSIO-XMMPIXPASA-N 458.396 5.591 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Cl)c1 587559402 XCCJCZBZIZNDAT-WIYYLYMNSA-N 463.686 5.437 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C 587690162 ZTDIVLDDCZSOIN-FPTDNZKUSA-N 455.843 6.069 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)c3ccsc3CCN2Cc2cccnc2)cc1 963014395 SLPUMYLYWNOLMV-KDYSTLNUSA-N 453.095 7.195 50 1 JKGF CC(C)=C[C@H](O)CC(C)=CCCC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356608084 CMKAMRUVQONAPO-XQVPNCLKSA-N 474.726 6.612 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NCCCCCCNc1c2c(nc3ccccc13)CCCC2 13607679 GWKZBCSXCDIJEX-OAQYLSRUSA-N 485.763 6.916 50 1 JKGF C[C@H](OC(=O)NCCCCl)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O 29043534 FNCGOKWVESVXSF-XOBRGWDASA-N 473.960 5.420 50 1 JKGF CC1=C2C[C@@](C)(CO[C@@H]3OC(=O)[C@]45C[C@@H]6CC(C)(C)CC6=C(C=O)[C@]34C5)C[C@H]2C[C@]2(C)CC[C@]12O 84690545 JVSGWCCMXPFMRE-NDCOXDJSSA-N 480.645 5.266 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C=N/NC(=O)c5ccco5)[C@@]4(C)CC[C@@H]32)C1 118921379 VYEOKLGPHGWRTK-UKUSNFIJSA-N 452.595 5.506 50 1 JKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 118921453 NWOYNAUPJCGLGY-FBKQTWDRSA-N 483.487 5.148 50 1 JKGF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O[Si](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 255269553 SZLWSWKRZSAHBC-VGLSAWSOSA-N 484.885 9.660 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587323689 MHYXDRUDOQMXGG-FYYLOGMGSA-N 475.741 6.177 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)c(F)c2)[C@H]1c1ccc(F)cc1 587339330 YUVGYXZOTFXVFO-UGKGYDQZSA-N 481.239 5.598 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(Br)c1F)CC2=O 587465161 BHRHEVGBXYHQHZ-LJQANCHMSA-N 472.148 5.502 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C)ccc1OC(F)F)CC2=O 587466504 OAXPZQTXFCWZFN-OAQYLSRUSA-N 455.295 5.510 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538533 PKALIIGIGSBLTI-WIOPSUGQSA-N 483.358 5.823 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2ccccc2o1 587539962 ZAGAASTVOBPYCO-REWPJTCUSA-N 451.272 5.390 50 1 JKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1C 587924181 KJCZPDUCECNKJN-OEAKJJBVSA-N 486.710 7.832 50 1 JKGF Cc1ccc(-c2cc(-c3ccccc3)nc3c(P(=O)(c4ccccc4)c4ccccc4)cccc23)cc1 1857759006 RDOKANAMVGWXQM-UHFFFAOYSA-N 495.562 7.517 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CCC1=O 2356336291 KZMOSVHCAINXLS-YGLLWCCQSA-N 488.709 5.409 50 1 JKGF CC[C@@H](C)Sc1nc(NCCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135108 FPBWRCAEWSNSDZ-XMSQKQJNSA-N 466.054 6.352 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 587323334 QUWGMSHABSSTHE-LADGPHEKSA-N 467.290 5.927 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587420651 GJFOZSKLMOGQOE-KSSFIOAISA-N 477.660 5.285 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N=Nc3ccccc3)cc1)CC2=O 587456301 MPUYNOCIVZJSNU-VWLOTQADSA-N 479.374 7.016 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)F)cc1 587557246 QWASNJNHADPTCM-XMSQKQJNSA-N 477.257 5.246 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F 587724510 IQXHSCCZRKSEDX-LFPIHBKWSA-N 493.823 6.460 50 1 JKGF Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1 1857640626 OEJZMKCNPMMLPA-ZWXJPIIXSA-N 483.595 7.442 50 1 JKGF Cc1ccc(C(=O)N/N=C(\N=N\c2cccc(C)c2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5582810 NDPDYWVUYZSEAI-SJXRGTFUSA-N 491.599 6.121 50 1 JKGF CCOC(=O)c1ccc(NCCCCCCCCCCCCCCCCBr)cc1 29216941 LSLKURLQKLAUMD-UHFFFAOYSA-N 468.520 8.132 50 1 JKGF CC1(C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 29550087 IEXLKJSEFXEFEB-YVQOVQFUSA-N 475.157 8.480 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCC4)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43382144 UYVDOKQPXXNEHL-FCWMQBQOSA-N 457.611 5.007 50 1 JKGF Nc1ccc(Oc2ccc3nc([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)[nH]c3c2)cc1 587009408 DRHYXQLEBZTZRO-QHCPKHFHSA-N 459.937 5.058 50 1 JKGF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc12 587037979 ONCNFQRLGOLGKM-SECBINFHSA-N 465.473 5.968 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(CCO)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054557 GDHKTPOLHHMBEM-PDGQHHTCSA-N 451.357 5.876 50 1 JKGF COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587056219 OCLNAHSJJHWRRM-LZYBPNLTSA-N 499.785 6.781 50 1 JKGF CCOC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321294 IQTBCTFCFVTWQW-RCZVLFRGSA-N 499.332 5.357 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 587322085 LKADCBQEUWIUSD-RSXGOPAZSA-N 477.329 6.334 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587324036 VPVQRXOXORSUCH-VWNXMTODSA-N 487.321 5.198 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 587327369 PTSZFIQFNBHOBW-UNMCSNQZSA-N 451.708 6.331 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnc(N3CCCCC3)s2)[C@@H]1c1ccc(F)cc1 587377171 QTIBEFTZIYFWQK-QPPBQGQZSA-N 472.969 5.471 50 1 JKGF O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543179 JUJARCMEKLOXNL-GGXMVOPNSA-N 499.950 5.865 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2sccc2Br)N1 587843693 JQRQLSUBJKNYSH-FVMDXXJSSA-N 476.234 5.404 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(C(Br)Br)c2nsnc12 587920183 DDQLGZGEJGQEQV-UHFFFAOYSA-N 472.589 5.542 50 1 JKGF N#Cc1ccc([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)s1 962627649 HGWAJHMCQQJAHY-YKSBVNFPSA-N 464.432 5.005 50 1 JKGF O=C(N/N=C1\SCC(=O)N1c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 1772626429 WOVJSXYHUNRHJW-QVTSOHHYSA-N 477.549 5.164 50 1 JKGF C[C@](O)(CSc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857565654 GBWMSOICYZJAPQ-INIZCTEOSA-N 497.429 6.724 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356484885 KXEPOJYGPBBQJS-CPQVDITKSA-N 472.710 6.982 50 1 JKGF Clc1ccccc1CNc1ncnc2c1cnn2C[C@@H](Cl)c1ccc(Br)cc1 96272508 PYGLWXFBTJNWSQ-GOSISDBHSA-N 477.193 5.834 50 1 JKGF C[C@]12CCSSC[C@@H](N=C(N)N)CC[C@H]3CSSCC[C@@H]4CC[C@@H]1CC1=C3C(=O)C[C@@]142 103525259 AVVXEKOXHWSLSM-YNQUDFSWSA-N 497.821 5.287 50 1 JKGF biogenic,in-vitro CCCCSc1nc(NCCc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135189 GJWWKPZIJUCYJC-QFIPXVFZSA-N 466.054 6.353 50 1 JKGF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587111447 CWSWIFLTVFQCGW-KRWDZBQOSA-N 473.389 6.639 50 1 JKGF COc1ccc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332090 IPXUFLOXMIMWLH-GMAHTHKFSA-N 475.285 5.328 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@H]2Br)[C@H]1c1ccc(F)cc1 587375439 SKSHZQNECSRRJT-URVUXULASA-N 459.336 5.557 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587456063 JVYPDYBJUFUNPO-QHCPKHFHSA-N 482.415 5.091 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1F 587542604 AIBCOUNEQCZZCP-RXVVDRJESA-N 497.238 5.802 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl 587547114 ZGAQRHGJMJNKFW-OFNKIYASSA-N 456.281 5.328 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587679151 FFFCSQDZGRSDGX-YYUOZPCZSA-N 484.752 5.338 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cc(F)cc2F)N1 587720114 MQOVXRBGZKTRTJ-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCCl)(c2cccc(F)c2)N1 963188156 VSFMUHVTZNAPEA-HNAYVOBHSA-N 450.259 5.359 50 1 JKGF Cc1ccc(C(=O)c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3o2)cc1 1857754252 KKXXGAJOCCUOIE-XMMPIXPASA-N 466.537 5.732 50 1 JKGF CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(CC=CC(C)(C)OO)[C@H](C=COC(=O)C=C(C)C)[C@@]32O1 2356625197 DIEFFKCJCDUOGU-JIANZVGOSA-N 462.583 5.097 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 29550094 IEXLKJSEFXEFEB-IBSLXNBYSA-N 475.157 8.480 50 1 JKGF COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)C2CCCCC2)cc1Cl 66148669 FETILWRZLQIJBI-DEOSSOPVSA-N 477.432 5.228 50 1 JKGF Cc1ccc(NC(=O)CSCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586971377 VXHARWMDAFNFRB-UHFFFAOYSA-N 451.486 6.443 50 1 JKGF Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@H](Br)C(C)C)c4)nc13)-c1ccccc1C2=O 586992571 DNBIAAAHZCNNPW-RUZDIDTESA-N 499.408 6.780 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587326129 AKQCOBFUDOKYGH-IRLDBZIGSA-N 495.266 6.199 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 587373759 SFAWLBVNOUKKNF-NRRJATNASA-N 495.362 5.250 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(CBr)ccc21 587455552 CQECULKLJHZWHW-SANMLTNESA-N 477.354 5.693 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)CC2=O 587461057 VZSDMHROZVOSEJ-LJQANCHMSA-N 479.187 5.336 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587499432 SUQSKFFIIDKWCV-SANMLTNESA-N 454.397 6.726 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674754 ZYYFJJIXKZQRME-XUSGNXJCSA-N 494.202 5.724 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 587725533 QTMAFOQZMQTUOW-LARMWNDWSA-N 493.617 6.136 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 587853737 RGIDFXDLRLCNMU-MQJDWESPSA-N 482.850 5.777 50 1 JKGF COc1cc2c(cc1OC)[C@@](CCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@H](C)C2 962564669 HFUDFFZLMVVBDF-WAIKUNEKSA-N 471.947 6.132 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCCl)(c2cccc(F)c2)N1 963188159 VSFMUHVTZNAPEA-KXBFYZLASA-N 450.259 5.359 50 1 JKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356679213 KWHXMASXPBOSRE-FRXPANAUSA-N 458.727 7.641 50 1 JKGF CCCCCCCCC=CCCCCCCC=C(C=O)CCCCCCCCCCCCC 2356765919 YLJHJROOFZXHDT-UHFFFAOYSA-N 460.831 11.460 50 1 JKGF N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@H]1c1cccs1 104010233 JNZPQCQEUPSDFQ-HXUWFJFHSA-N 455.992 6.043 50 1 JKGF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3S(F)(F)(F)(F)F)c2F)cn1 224555604 XQJOGRVWDHZNRC-UHFFFAOYSA-N 475.458 7.369 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587010015 ZDEGOIRJDWOSIT-INIZCTEOSA-N 499.718 5.464 50 1 JKGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320687 GLJHQJWPQLWXFI-UMXIMWEHSA-N 499.332 5.112 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321215 COZVXGSEPWMDEG-FQICASNESA-N 481.951 6.152 50 1 JKGF CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537555 HPTKSIMORYKIJN-BPKZHXITSA-N 481.386 6.231 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587684500 KPSDSCSUZHDOAF-WHEQGISXSA-N 467.810 5.589 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C 587690165 ZTDIVLDDCZSOIN-RCDICMHDSA-N 455.843 6.069 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 587855523 WFGSEOSOPGHQSW-PSLXWICFSA-N 495.889 6.327 50 1 JKGF O=C1CCC(c2ccccc2)(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 587971294 YIAQLXJJPYLGEV-UHFFFAOYSA-N 495.311 7.412 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1Cl 963193756 LPNKHWSAVDSNOA-AFWDCEBSSA-N 479.849 6.798 50 1 JKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]1/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(/C)C=O)CC[C@]3(C)O)O1 1857549517 ULPDGPJJKVQNSL-DMSXMBBHSA-N 484.677 5.430 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CBr)COP(=O)(O)O 1911574325 TVVXPKBESRZJBO-GDCKJWNLSA-N 499.423 6.440 50 1 JKGF C=C1[C@H]2CC=C3[C@H](CC[C@]4(C)[C@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@]34OO)[C@]2(C)CC[C@H]1O 2356379718 GEAFSGSDFLIGRT-LQRXHHGVSA-N 458.727 7.803 50 1 JKGF CCCCC/C=C\C/C=C/CCCC/C=C/N(NC(=O)COC)C(=O)CCCCCCCCC 206877597 PTGPQHFNNAPOOT-VLRKPBTGSA-N 476.746 7.790 50 1 JKGF COC(=O)c1ccnc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587055830 NIUFWCQZGDEEIE-XNTDXEJSSA-N 466.328 5.523 50 1 JKGF CCc1ccccc1NC(=O)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587240451 FSPKQHLAAQNUFG-UHFFFAOYSA-N 470.261 6.798 50 1 JKGF COc1ccc2c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 587327356 PKHSGWIQSPMACC-UKILVPOCSA-N 451.881 5.514 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OCc4ccccc4)c1)[C@@H](C2)C3=O 587413403 OEFPOLCZKBROHD-OFVILXPXSA-N 465.343 5.312 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587683787 IBKVQOMRDMOPEA-QKFKETGDSA-N 494.788 5.537 50 1 JKGF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl 587686751 XDKWMJJPHBTSJC-LRTDBIEQSA-N 456.783 5.402 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 587688407 MGMHFZOLDGSLRE-GJDIJTJZSA-N 481.837 5.978 50 1 JKGF Cc1cccc2c1[C@](C1CC1)([C@@H](C)Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842224 WAEHKQBOIJWFDC-UZSYQUHHSA-N 452.389 5.020 50 1 JKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857754926 GDQYGOWANCTVTH-OOWIMERYSA-N 479.543 5.324 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(C)C(=O)C1=C(C2=O)[C@@H](N=N)C(O)=CC1=O 2356863155 VDYWANKAXXQDOQ-WDIKJVDASA-N 489.012 5.493 50 1 JKGF COC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1OC 587054399 FRQLTVXDRIRIKL-LFIBNONCSA-N 495.366 6.137 50 1 JKGF Fc1cc2c(c(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c1)OCOC2 587171320 MCOZQZICLITEKG-UHFFFAOYSA-N 489.235 6.579 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587327730 RCZDEEPMNCNORY-YTMVLYRLSA-N 489.974 6.740 50 1 JKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382613 QPMSVTGGBDGMRE-NRFANRHFSA-N 464.534 5.918 50 1 JKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587496841 GDNAGHKIIIMMTM-OFJJUDJNSA-N 485.967 5.585 50 1 JKGF COc1ccc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587539222 UWTLYSOAKMVMRO-ZEQKJWHPSA-N 491.337 5.806 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OC=C2OCc1ccccc1 587548841 YDZKWLUPDLOLDA-JYFHCDHNSA-N 462.885 5.304 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674057 SKDWXBFCXAEXNC-BIBXISHDSA-N 466.192 5.551 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 587689854 XHJJVBJBWPSPTJ-CPJLOUKISA-N 493.892 6.914 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1 587690038 YXTYTQJPDFMWLG-SRMJIJMDSA-N 469.826 5.202 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(F)cc2)N1 587728854 FZDJGZJTHYJABS-HXPMCKFVSA-N 459.172 5.680 50 1 JKGF C[C@@H](Cl)[C@@]1(c2ccc(F)cc2F)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961748145 IPOGDXVLFIRFSK-BZQUYTCOSA-N 462.968 5.987 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]12[C@@H](Br)CCCCCCCCC[C@H]2Br 963227625 JXIMFYIUOOKXFC-JFTIXFDTSA-N 499.375 7.590 50 1 JKGF Cc1cccc2c1[C@@]([C@@H](C)Br)(C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918071 XMWHDZOLTLNHLD-TVZGQMOCSA-N 480.321 5.173 50 1 JKGF CCCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCc1ccccc1 13675553 HCKGKOPVDDDNKI-HSZRJFAPSA-N 462.981 5.980 50 1 JKGF Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc2c3c(cccc3c1)C(=O)OC2=O 95581782 LKEUPIWKXFFJDX-UHFFFAOYSA-N 450.809 5.159 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1 587538719 BHWZAKVWPWNVDY-DENIHFKCSA-N 459.723 5.641 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686542 VOWUTYVELLQCEZ-WAIKUNEKSA-N 452.839 6.728 50 1 JKGF COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587688317 LHDNNJVEEOGQAZ-BSEYFRJRSA-N 491.832 6.021 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587703462 GVPDKZVSMUITTM-COJQNKITSA-N 482.674 5.244 50 1 JKGF O=C(CCCCCCN=C=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 653835856 LYUZUCDKXPAHFI-UHFFFAOYSA-N 484.423 6.128 50 1 JKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CCCCCl)c1ccc(Cl)cc1Cl 962699495 IJZRNEIJJOTLHS-UZUQRXQVSA-N 472.884 7.149 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1[C@H](C)c1ccccc1 962719306 YQHMUQQJNUGRIY-CRDCFYADSA-N 483.096 6.699 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)c4cccc(Br)c4CCN3C)cc2)cn1 963269297 HVZVXNHQLUQDDL-NRFANRHFSA-N 475.228 5.070 50 1 JKGF O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857601061 IDYFPAYNMJRQRG-UHFFFAOYSA-N 484.368 5.342 50 1 JKGF CC[C@@H](C)CN(C(=O)CCl)c1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1 1857766737 OHAXDBFAEZEBSO-GFCCVEGCSA-N 462.299 5.624 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356628877 JHCXJIRLSJUGJL-MHZRYXTJSA-N 463.102 5.778 50 1 JKGF Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c1C 13492733 LSELQPPLNRLWOX-IPPBACCNSA-N 459.977 6.046 50 1 JKGF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586882082 JPBRCGSOPLRKLY-UHFFFAOYSA-N 497.283 6.911 50 1 JKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Br)s3)nc3ccc(O)c1c23 586994500 VMPBTOCJTFRSHT-UHFFFAOYSA-N 470.775 6.424 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058413 YUJZRQYNFUGKQQ-QPEQYQDCSA-N 477.182 7.043 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1 587319831 DDHVOFJDJDXYST-IFMALSPDSA-N 496.159 6.487 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(F)cc1 587332357 KXVZOYRQYSPDFC-UNMCSNQZSA-N 479.704 5.973 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2coc3ccccc23)N1 587672707 HFPVDZZKPXHIFU-WLRWDXFRSA-N 453.149 5.507 50 1 JKGF CC(C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689457 SONASZJZZTVVGZ-WNSKOXEYSA-N 452.839 6.852 50 1 JKGF C[C@@H](Br)[C@]1(c2c[nH]c3ccccc23)c2ccsc2CCN1Cc1cccnc1 962995216 MNRCLGXMHAAOLQ-WAIKUNEKSA-N 452.421 5.710 50 1 JKGF C[C@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857582602 QXLPMFDVNVFTTC-KRWDZBQOSA-N 490.372 6.003 50 1 JKGF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCCCc1ccc(N=C=S)cc1 13470742 MIAOJBAWGZZMRM-LIONHTAISA-N 469.050 6.207 50 1 JKGF C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](C1CCCC1)[C@@]52CC4=O)CCNC(N)=N3 85549508 HOEKKUSLHOOASY-GZDNXMLJSA-N 487.779 5.871 50 1 JKGF biogenic,in-vitro COC(=O)CC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 101509137 WWUHPAYVBRAXGE-FLWNBWAVSA-N 483.328 5.063 50 1 JKGF C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C 238780859 RKPLHWCOJKGGMT-NHZGEHLTSA-N 458.595 5.124 50 1 JKGF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587267150 FZPACIKWSSYBOL-SSDOTTSWSA-N 476.225 6.005 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587322166 GIROHUULCBVGGU-DENIHFKCSA-N 451.708 6.243 50 1 JKGF Cc1cccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587322860 PJEVANAVOYDWEE-LIAVLPADSA-N 455.323 5.878 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@H]1c1ccc(F)cc1 587325464 FURKIZBYBBOJHV-LMSSTIIKSA-N 470.927 6.596 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O 587428134 WZVNCRIJVCSWOY-YPMLDQLKSA-N 490.550 5.288 50 1 JKGF Cc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587719548 PXXIYQHLZPANLF-MLCYQJTMSA-N 479.590 5.862 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2nc3ccccc3s2)N1 587857480 KKOPQCVGEYFSDX-XTZNXHDOSA-N 470.205 5.371 50 1 JKGF Fc1c([C@H]2NCCc3cccc(-c4ccccc4)c32)ccc(Br)c1CBr 962661459 JKRSIBRPSDMDIN-JOCHJYFZSA-N 475.199 6.385 50 1 JKGF Br[C@H](c1ccccc1)[C@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962669125 PCHVXLGQPVPEJU-VSGBNLITSA-N 454.411 6.879 50 1 JKGF Cc1c(C(=O)CCl)c2ccccn2c1[C@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963113754 ZTFZNENDWVUJGW-BTYSJIOQSA-N 490.981 6.260 50 1 JKGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(Cl)cc1Cl 1857607401 HLULTZRXKIQNBX-KGLIPLIRSA-N 476.172 5.484 50 1 JKGF O=C(N/N=C/c1cc(F)c(F)cc1Cl)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1 1857757729 CUYZENZHIGMEAF-JBQSXSRFSA-N 495.292 5.046 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2356518071 DTNMLCLEKOLKGE-KZHKUGRYSA-N 498.912 10.028 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325122 WQLFPPUQHPKBIQ-IGZRORGKSA-N 485.939 5.535 50 1 JKGF COc1cccc(-c2c(Cc3ccccc3)c(CBr)nc3c2oc2ccccc23)c1 587360132 LTLOBHSHYGOSHL-UHFFFAOYSA-N 458.355 7.142 50 1 JKGF N#CSC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370119 TWZNPDLGTYOXLJ-GGAORHGYSA-N 484.346 5.762 50 1 JKGF CCOc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674464 WUYZXFHPGASJDZ-BLVKFPJESA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 587681933 YNSWFRFZMVNNBD-RAIVTMKUSA-N 493.218 5.098 50 1 JKGF CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/C=C/c4ccccc4)n3)c2C)c1 587924134 HJKSFQSNUFLDMX-GFUHDUPZSA-N 453.636 7.560 50 1 JKGF Cc1ccc([C@@]2(CCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962960525 UZNRMMHWDSXXGY-XMMPIXPASA-N 451.960 6.318 50 1 JKGF CC(=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)CC[C@@H]1C(C)=CC[C@@H](C)C1(C)C 2356484737 GJYZRMAFYKGFKM-MBNVSXJLSA-N 472.754 7.577 50 1 JKGF CC(C)=CCOC1=CC(O)=C(C(=O)CO)C(=O)[C@]1(CC=C(C)C)CC=C(C)CCC=C(C)C=O 2356531537 CGCVGIAAWVMTBA-MUUNZHRXSA-N 470.606 5.414 50 1 JKGF COc1c(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587134552 JCWSDHGVIRUVHW-UHFFFAOYSA-N 465.188 6.937 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 587673452 MWGCWLUUJPKSNX-ZSEKCTLFSA-N 493.218 5.255 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 587682261 CAJPNOBCZAERPA-IQMFZBJNSA-N 452.839 6.683 50 1 JKGF CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@]23C=C[C@]4(C[C@@H](O)CC[C@]4(C)C2=O)OO3)[C@]1(C)CCO 1772602623 PYCSWFKPEPDESO-WXQDRBBESA-N 488.709 5.485 50 1 JKGF C/C(=C\CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc1ccccc1)CO[Si](C)(C)C(C)(C)C 1857636813 DKTIHVIHNXPGLA-PUPPQGCESA-N 499.661 6.478 50 1 JKGF CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 2356599752 KOXZGKSNTSBMQC-XRXQGYFGSA-N 498.748 7.239 50 1 JKGF COSN(C(=O)c1ccc2c(c1C)O[C@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103214442 KDKMRRCLMNGTEA-QGZVFWFLSA-N 456.608 5.443 50 1 JKGF Cc1ccc2c3c(c(CCCl)c(-c4ccc(Br)cc4)nc13)-c1ccccc1C2=O 586993378 LDHGHIPLQNWAJX-UHFFFAOYSA-N 462.774 6.965 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321309 CVALEAZDLGEOIY-YZCBWUASSA-N 475.741 6.176 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C 587326518 LQSKIZVITVMSKG-SHQCIBLASA-N 499.966 5.810 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 587328595 VFKVOMWQDLJHHA-PXJZQJOASA-N 489.974 6.491 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC(F)(F)CC2)[C@H]1c1ccc(F)cc1 587331422 JLPHCHRAWVWNAJ-UGKGYDQZSA-N 469.297 5.849 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 587377011 ZUJGTJMVFZOHNH-ISKFKSNPSA-N 483.358 6.395 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 587545765 PKJHIMFPGMTGEE-RBJSKKJNSA-N 468.892 5.581 50 1 JKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl 587545925 SXJRGXAQXDNXJR-ZEQKJWHPSA-N 485.363 5.835 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2)N1 587674245 VIBRTARYGQUTDU-DYZYQPBXSA-N 492.024 5.523 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684569 LBUCUEXRMFFYAM-JLCFBVMHSA-N 467.810 5.589 50 1 JKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587717890 LUTMELVMNYAQKL-JJQCHNSYSA-N 463.135 5.428 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845058 MNPJMMSYNYJGPI-MGNBDDOMSA-N 460.199 5.887 50 1 JKGF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587951299 HBHZOEGKAWHNPX-RWSFTLGLSA-N 477.337 8.029 50 1 JKGF CCOC(=O)c1ccccc1[C@@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962662623 FFHJTDLYCKBYCW-VWLOTQADSA-N 450.376 5.315 50 1 JKGF COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O 2356480352 YBVHJCLVFBRGGU-UHFFFAOYSA-N 462.674 7.916 50 1 JKGF C[C@](Cl)(C=C[C@@H](Cl)[C@](C)(Cl)C=CBr)C(Br)Br 2356629875 SULCBXDYEPVPKS-QNSHHTMESA-N 478.277 6.170 50 1 JKGF N#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1 299824897 IOEWULYDQMZCPE-UHFFFAOYSA-N 485.637 9.044 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055044 IXAREQLIZNKFLJ-AUWJEWJLSA-N 476.194 7.648 50 1 JKGF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587185169 YIOPKCARNVWIGQ-LBPRGKRZSA-N 489.251 6.067 50 1 JKGF C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327653 QNAWLAITKNMHPG-RSXGOPAZSA-N 467.924 5.763 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2c(F)cccc2F)N1 587722524 SDSTZESFLOYIDP-RSULWSAWSA-N 477.162 5.622 50 1 JKGF Cc1c(F)ccc2c1[C@@](CCl)(c1scc(Br)c1Br)NCC2 962092094 LTVXROCRCXVWEP-HNNXBMFYSA-N 453.602 5.349 50 1 JKGF C[C@@H]1C(=O)CC[C@@]2(C)[C@H]1C[C@H]1O[C@]13[C@]21CC[C@]2(C)[C@@H]([C@H](C)CC=CC(C)(C)OO)CC[C@]32C(=O)O1 2356845103 OBHBMOJWJPZWOF-UXGJQBCISA-N 486.649 5.492 50 1 JKGF CSc1nc(NCc2cccc(Br)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 66258855 UBFVUIBDLRKUPW-SFHVURJKSA-N 488.842 5.903 50 1 JKGF N#CC(C#N)=C(SCc1nnc(-c2ccccc2)o1)SCc1nnc(-c2ccccc2)o1 71317724 JPOYRTZOBACLIC-UHFFFAOYSA-N 458.528 5.212 50 1 JKGF COc1cc2c(cc1OC)[C@@H](N1CCC(n3c(=O)n(CCCl)c4cc(Cl)ccc43)CC1)CC2 96933806 WPYZMTFOTQBFCP-FQEVSTJZSA-N 490.431 5.037 50 1 JKGF Fc1ncc(Br)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587178102 PTUYAWNVROUEHI-UHFFFAOYSA-N 497.056 6.946 50 1 JKGF COc1ccc2c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 587327355 PKHSGWIQSPMACC-NOZRDPDXSA-N 451.881 5.514 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587672627 GRBOHQSKYQZSMD-QGHHPUGFSA-N 454.141 5.703 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C 587689264 RIUSBLNGMKEGOY-RKFFSXRUSA-N 483.809 5.145 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 587730733 XWSVJYGQQGASGR-RVSFGVKLSA-N 493.617 6.136 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1OC(F)F 40447650 VMJBEKIDUMOJMI-CPLXHHTASA-N 472.513 5.238 50 1 JKGF C[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(C(F)(F)F)cc1 43845653 OIQGKZALYSLNLA-CSYTXPGVSA-N 456.501 5.991 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054198 CYOCEXFTNXKMJM-AUWJEWJLSA-N 487.188 6.499 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321673 DTYUJPPMPGBODF-YNLFQQRNSA-N 453.897 5.371 50 1 JKGF C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338397 PUYATAHQQFXOMB-UNMCSNQZSA-N 474.422 7.463 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)O2 587370442 BIDMPVIHBSVQMM-HXUWFJFHSA-N 482.161 5.795 50 1 JKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O 587416423 ASZKEGUOEHPPDV-RDPSFJRHSA-N 486.793 5.747 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587673945 RVFXCFJFZRDXLN-CMJOXMDJSA-N 495.274 6.809 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 587851243 HVSSISRCPKWELW-DMZKTXOQSA-N 481.862 6.133 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963179651 MNMDPRNBWXRTAC-YLJYHZDGSA-N 457.279 5.230 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1ccc2c(c1)Cc1ccccc1-2 963603294 CFBJOQFVOJICLM-DXPJPUQTSA-N 464.403 5.448 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)C(F)(F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43379869 JHNYMLVVPFWGNA-GBBCRZDKSA-N 466.390 5.044 50 1 JKGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 45353415 IQCUXBCWWUCMGS-IPBVOBEMSA-N 497.355 5.535 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(OCc2ccccc2)cc1O 95570611 ZHGHIJOVTUTYCC-VUTHCHCSSA-N 489.572 5.106 50 1 JKGF CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](N=C=S)[C@@H]32)CC[C@H]1Cl 200381764 MSRJKIPSWOKGIA-JVKCDKLRSA-N 457.105 5.462 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586986749 TXNWDVMCANYTNP-UHFFFAOYSA-N 456.929 6.022 50 1 JKGF O=C1c2ccc(O)cc2O[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@H]1c1ccc(F)cc1 587328187 UBLNYTUPTGQRMH-AHKZPQOWSA-N 478.903 5.840 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498313 MSGAQBUORWLTQL-BCOMRZATSA-N 485.967 5.585 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)c(Cl)c1 587539334 VOYGZSLEOPJHBG-DENIHFKCSA-N 475.722 5.522 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587669792 FSUYAIUEAFWGNY-ZBUHCNDUSA-N 487.207 5.167 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672157 DEMZTEPSTAALPX-CWTRNNRKSA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2F)([C@@H](C)Br)N1 587726145 UYJUQNXOKFKCTP-MHNGPXOMSA-N 463.135 5.428 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 587853321 PQQIXAZOXBHWKT-WTZMJGJUSA-N 486.410 5.325 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2ccccc2c1CBr 587877145 WHOPCLHRLGPEMW-UHFFFAOYSA-N 475.213 5.946 50 1 JKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@H](C)C2 962638669 XGAYTNCGRSVWTR-MZNJEOGPSA-N 469.975 6.642 50 1 JKGF O=[N+]([O-])c1cccc([C@@]2(CCCCCCCl)c3ccsc3CCN2Cc2ccco2)c1 962707565 NTGYWCBHKDSKQT-DEOSSOPVSA-N 459.011 6.741 50 1 JKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC 5845729 HVXXVNCXGUXSCQ-CQSZACIVSA-N 495.919 5.238 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447637 VBONCXOBVCFWSB-TZSKPUIQSA-N 492.494 5.794 50 1 JKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 100781993 YCWNSSLCHYTWSQ-BLFUGAISSA-N 478.557 5.045 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 136184067 MRSCOQQAXLCERG-SRLAVATGSA-N 470.738 7.353 50 1 JKGF COc1ccc(Cn2cc(/C=C(\C#N)C(=O)c3c[nH]c4cc(OC)ccc34)c3ccccc32)cc1 299827917 QHBXEIFKILJBFN-DEDYPNTBSA-N 461.521 5.978 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 587338584 XODKEONRTWROER-KNQAVFIVSA-N 463.249 5.459 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(OCc3ccccc3)c1)O2 587372478 IZKDZZQVYXEJNT-DEOSSOPVSA-N 452.348 5.412 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)O2 587373226 QJSOYAUWKRSIDH-SSEXGKCCSA-N 485.027 6.733 50 1 JKGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539683 XJLMRNBYMNRRDO-VCHGGQOGSA-N 459.723 5.686 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(F)c1F 587557839 PBRMFQQUUMSEDT-DYESRHJHSA-N 465.221 5.062 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587729913 DYYDTYNMUDUWOH-ZLOXQWCVSA-N 479.796 6.151 50 1 JKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962564786 HLVYOEJLQZCPHW-HXPMCKFVSA-N 453.473 6.336 50 1 JKGF Cc1ccc(-c2cc(C(F)(F)F)cc([C@@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)cn1 1772627446 OZAMROULMZIAJK-QHCPKHFHSA-N 453.468 5.136 50 1 JKGF C=C(C)[C@H]1CC[C@@](C)(O)[C@@H]1/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(\C)C=O)CC[C@]3(C)O)O1 1857574515 ULPDGPJJKVQNSL-KNSHYVFHSA-N 484.677 5.430 50 1 JKGF Cc1cc(Br)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)CC(C)(C)C 103207290 DRXBQFFENFZXNF-UHFFFAOYSA-N 466.807 5.220 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)CCCl)CC2=O 587461895 UXDXHHUNNJYBTJ-HHHXNRCGSA-N 463.961 5.821 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)c(F)c(F)c(F)c1F)CC2=O 587466529 OEYZEWJLGFEBPV-LJQANCHMSA-N 465.212 5.296 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(CBr)c1 587539549 XBUPSOAOEVRDEB-IGKIAQTJSA-N 487.349 6.193 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 587672937 JAJVDIFLESRTQS-XTZNXHDOSA-N 477.599 5.639 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 587673820 QNAWAUKKZHKKAV-IQMFZBJNSA-N 489.226 6.309 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682480 CMGKSKFHOWOYRI-JBEBIEQOSA-N 456.786 6.176 50 1 JKGF COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684971 NFYGKAADZSWMSP-FVINQWEUSA-N 454.723 5.065 50 1 JKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587685782 AZZBJTCEIHIHHU-OYLFLEFRSA-N 475.833 6.321 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687836 IRGMXGNDEUBILS-BRZCCTTDSA-N 457.815 5.231 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587736394 ZQHJTYNMHYCBLG-ZLOXQWCVSA-N 479.796 6.151 50 1 JKGF COC[C@H](CO)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCCCl 2356324454 IVCAHXJIJIGCFU-VXKWHMMOSA-N 452.507 5.926 50 1 JKGF CO[C@]12CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C1=CC1=C(C=O)[C@H]([C@@H](C)CCC=C(C)C(=O)O)CC[C@]12C 2356541687 WTJIREHJYGENBE-NYXPGHHCSA-N 496.688 6.476 50 1 JKGF CCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(/C=N/NC(=O)c3ccc(OC)cc3)c2c1 45497323 JQZVWVKDWDDTOX-RDRPBHBLSA-N 455.558 5.959 50 1 JKGF CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CCC1=O 103268152 KZMOSVHCAINXLS-TXGQBUAQSA-N 488.709 5.409 50 1 JKGF 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)OO4 255274155 VVDFOIZUJIWFEH-ADYCPGKUSA-N 470.694 7.044 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320330 FJFSJAZWKJEGER-NOZRDPDXSA-N 485.349 5.968 50 1 JKGF Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)no1 587326345 LDLIOJWBRLMAJK-RSXGOPAZSA-N 480.923 5.728 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2([C@@H](Cl)CCCCCCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587334268 YGNNKKOFCGHWGO-UHCVVMIDSA-N 479.419 7.368 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F 587712191 ZYZKQCMWKTYOGB-MLCYQJTMSA-N 467.732 5.585 50 1 JKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356791089 GJYKQVNCEWWQDZ-UKQDAHLNSA-N 487.478 7.308 50 1 JKGF COc1ccc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)[C@@H]2OO[C@@H]2C(C)(C)O4)cc1 198009180 MUOIAHUHDWLLEI-DQEYMECFSA-N 450.487 5.225 50 1 JKGF Cc1cccc(-c2ccccc2)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586878479 IPFZMARUNMOAKY-UHFFFAOYSA-N 489.307 8.625 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)n1-c1cccc(Cl)c1Cl 587058494 ZNROAPUQRLYGDK-VIZOYTHASA-N 478.339 5.672 50 1 JKGF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 587071834 QPVYXHTUFLQBTH-INIZCTEOSA-N 497.917 7.682 50 1 JKGF COc1ccc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Cl 587326766 NALRVBJYWMXKRC-RPLLCQBOSA-N 497.349 6.840 50 1 JKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418659 UUJPIKVDJRGISK-QGUKFAFCSA-N 450.918 5.335 50 1 JKGF C[C@@]1([C@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502417 DZRMJXSOLOCQOI-GCJKJVERSA-N 453.298 5.713 50 1 JKGF O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626689 VGDNZKAAUZVQDQ-UHFFFAOYSA-N 465.191 6.206 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2Br)N1 587680164 SQOJWRFNDNNDMX-ADLMAVQZSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(Br)Br)N1 587850412 YVJWODSLNUHMQH-VXJOIVPMSA-N 498.053 5.543 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)[C@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 963243412 SCCNOCOZLJRMQY-YXLNAYJUSA-N 496.076 6.225 50 1 JKGF Cc1cccc2c1[C@H](c1ccc(O[Si](C)(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963856260 VVGPATFQFPPFQO-YKSBVNFPSA-N 469.654 5.935 50 1 JKGF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@H]4[C@@]5(C)[C@@H]6CC(=O)C(C)(C)[C@@]5(C[C@@H](O)[C@@]43C)OO6)[C@H]2[C@@H]1C 2356388838 UBKYFSBPSQKPIB-UFOPJGEQSA-N 486.693 5.238 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 84703499 NLJZUEBZNDLTIT-PROZZQCMSA-N 496.732 7.438 50 1 JKGF C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc(C)cc1 103194120 UATATLRKNJMRQC-OVVQPSECSA-N 490.658 5.455 50 1 JKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081872 XDEMLCKJMUOZFV-UHFFFAOYSA-N 471.842 7.250 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccc(Br)cc1 587549019 WHMLMLXELHWLSY-DENIHFKCSA-N 459.723 5.337 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2c(F)cccc2F)N1 587722522 SDSTZESFLOYIDP-APTHUUICSA-N 477.162 5.622 50 1 JKGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)n(C)c1 1652649 NUCVRSVMWQIEPX-SCOAYWHSSA-N 480.952 5.208 50 1 JKGF O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCCCCI)ccc2[nH]1 13472544 BPNCVKJYVNNMJL-UHFFFAOYSA-N 472.326 5.864 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(OC)cc1)OO2 64446940 MWIVCZJGBHGMMQ-JNYAXKSVSA-N 481.592 7.318 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987016 XNEMYPIEUVETMH-UHFFFAOYSA-N 456.929 6.022 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055206 KUHTXXHTDJYHTQ-PDGQHHTCSA-N 463.412 7.639 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056319 OXDRYMPPBSPZKN-AUWJEWJLSA-N 497.298 6.158 50 1 JKGF Cc1cc(C)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587375194 RPVAAFMJDOUKAX-LJQANCHMSA-N 453.174 5.212 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc2c(c1)OCO2 587496966 GZRKUPLBFQAKCG-MUUNZHRXSA-N 477.988 5.860 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)c(F)c1 587559403 XCZMGXJKUPZXOV-DYESRHJHSA-N 465.221 5.062 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 963186974 LQXQKURNWPRZDM-FYYLOGMGSA-N 496.312 6.232 50 1 JKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccc(OC)cc1 1857549722 JWLGDCWUBDFARH-OJQQGYCHSA-N 480.609 5.745 50 1 JKGF O=C1[C@@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 1660609 QFQFIQWWLKOPSY-HOTGVXAUSA-N 474.544 6.139 50 1 JKGF CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C=O)C(=O)c2ccccc2C1=O 28704761 KCXDJKXJUPBWBS-PUTDXGHDSA-N 458.642 8.097 50 1 JKGF CCN(CCCCCCNC(=O)CCCC[C@H]1CCSS1)Cc1ccccc1OC 38269509 PAPNIDWABUXIRG-QFIPXVFZSA-N 452.730 5.908 50 1 JKGF COc1ccc2c(c1)c(/C=N\NC(=O)c1c[nH]c3ccccc13)cn2Cc1ccc(Cl)cc1 73240483 LDXILXWPWZEIGP-DBFSUHOCSA-N 456.933 5.597 50 1 JKGF C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](CC)C(C)C)CC[C@@]12OO 255211860 GEAFSGSDFLIGRT-DJRQQYLVSA-N 458.727 7.803 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)cc1 299847743 PQILQYSSOBRXTK-WIHVIGOGSA-N 493.438 6.164 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058543 ZXKKLCFABARMFX-AUWJEWJLSA-N 463.328 5.923 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324860 VBKUECIIUQCBQC-CCNCKIRNSA-N 486.970 7.383 50 1 JKGF CCC(=O)N1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587327037 OEBZWXHOIYTHIQ-VPUSJEBWSA-N 479.935 5.324 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(SC)c3)c1C)CC2=O 587495125 ZUSKFZAYIZOWSV-SANMLTNESA-N 470.034 6.574 50 1 JKGF O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545910 SOFTXPBADBCISJ-LBNVMWSVSA-N 485.923 5.475 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587683914 IJCZGGWKRFZFAC-IQMFZBJNSA-N 477.805 5.444 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587713622 TWAIJXRESFNLQB-XYZCENFISA-N 499.115 5.919 50 1 JKGF Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587852941 JQIICOVUPBXCPJ-GIPWTMENSA-N 483.244 6.284 50 1 JKGF Cc1ccc([C@@]2(CCCCCCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1F 962663463 JWEUYBXJGZNIJZ-SVBPBHIXSA-N 469.000 5.824 50 1 JKGF FC(F)(F)c1cccc2c1[C@](CCCl)(c1ccc(C3OCCO3)s1)NCC21CCOCC1 962952073 HBYPXUKHVLVPFV-QFIPXVFZSA-N 487.971 5.336 50 1 JKGF O=C1[C@@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 1660605 IDWKHNRJAGCQDC-HOTGVXAUSA-N 456.554 5.999 50 1 JKGF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CBr)ccc21 587500165 RCKJLSPPOMJESI-MHZLTWQESA-N 473.366 5.914 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539323 VMYUTIYSTXEQIX-SXWKCWPCSA-N 473.750 6.076 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OC=C2OCc1ccccc1 587548824 YDZKWLUPDLOLDA-BVAGGSTKSA-N 462.885 5.304 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587673903 RHIVODJGZUSWRQ-YEJXKQKISA-N 469.236 6.058 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 587716919 KCFQCIAXCQTIDT-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF CC(C=O)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356567111 HOEAACPBPFPKCY-LTGKBQHQSA-N 470.694 6.723 50 1 JKGF C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O 85995381 ALBRPHJUQRKZLQ-VSMNUCEVSA-N 454.695 6.837 50 1 JKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C(=O)OCCCCBr)CCC3)cc1OC2(C)C 223583220 QGYMCRTYHSIPNE-RTBURBONSA-N 477.439 6.143 50 1 JKGF C[C@@H](C#N)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587187301 FUVPPYFYMQBOPB-VIFPVBQESA-N 452.246 7.277 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(F)(F)F)cc1 587507667 NNZXMSZWHXRWHK-SANMLTNESA-N 487.949 7.091 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587686508 VLZDPGFNABZDPH-MPKWNAGQSA-N 477.846 5.496 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587687118 YYFVWUBULGYXMS-QKFKETGDSA-N 489.772 6.180 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963194110 SNBRVRXXAVVVTC-KKUQBAQOSA-N 459.387 5.381 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](OC=O)C(C)(C)[C@@H]1CC3=O 2356765526 YIPMXAHKTHCEPU-NYWZIKHJSA-N 482.705 7.018 50 1 JKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N(C)C)c3ccccc43)[nH]c2c(OC)c1OC 1652646 JYLCAMDFFFVDAY-INIZCTEOSA-N 493.991 5.396 50 1 JKGF CCOc1cc2nc(CCCl)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC 13490823 NEBQNIGXWKTHNP-UHFFFAOYSA-N 469.010 6.384 50 1 JKGF C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@@H]1CCCC[C@H]1Cl)C(=O)NCCc1ccccc1 13825466 STDXKINLJZQPOB-LSCGWGKXSA-N 482.024 5.104 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccccc3)no2)[C@H]1c1ccc(F)cc1 587323787 UHJVULAOWRCSSH-UKILVPOCSA-N 494.316 5.836 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 587335928 RWGPRSDUTINGDS-DENIHFKCSA-N 479.704 5.973 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1cccc(Cl)c1F)CC2=O 587465455 DWOASNFWRPYBSC-RXVVDRJESA-N 455.751 5.867 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587670978 NBUMOSZLRYMNAK-RRMDADRESA-N 467.220 5.638 50 1 JKGF CCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc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c2ccc(OC)cc2)C2=C1CCC2 103951068 WHMKHJKLGZAIGT-FQEVSTJZSA-N 471.416 5.214 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321664 DTYUJPPMPGBODF-STUVRUMRSA-N 453.897 5.371 50 1 JKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@H]2Br)[C@H]1c1ccc(F)cc1 587324732 UBVVWNUYALDTAJ-GPXNEJASSA-N 453.307 5.495 50 1 JKGF CCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686904 XXTJXIRTCNTKBE-ZSEKCTLFSA-N 453.783 5.343 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@](C)([C@H](Cl)c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962630621 PPHQYKJYXAVCGN-BKSPAHHJSA-N 457.954 5.331 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cc2cc(Cl)ccc2o1 963288442 BCEJIFZONMYETB-IBGZPJMESA-N 469.604 5.975 50 1 JKGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCCNC1CCOCC1 1772647468 MHYQAXLUVVDIGB-UHFFFAOYSA-N 497.676 5.709 50 1 JKGF CCn1c2ccccc2c2cc(/C=N/NC(=O)CCCCCCC(=O)Nc3ccccc3O)ccc21 95809753 YVDJRYZAPZKSMH-TWKHWXDSSA-N 484.600 5.949 50 1 JKGF CC[C@H]1O[C@H]2C[C@@H](Cl)[C@@H](Cl)C[C@H](C=C=CBr)O[C@H]2C[C@@H]1Br 145298124 DLWCNRZNBKQLBS-VQMJRWOUSA-N 463.037 5.144 50 1 JKGF O=S(=O)(Cc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1 586922767 ZOFLYIJKGNUWSE-UHFFFAOYSA-N 474.476 6.861 50 1 JKGF Cc1ccc2c3c(cc(-c4oc5ccccc5c4NC(=O)CCl)nc13)-c1ccccc1C2=O 586994417 ZUYMEOOSELVKCF-UHFFFAOYSA-N 452.897 6.345 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587332080 IMFNWQQDIGZIIK-ISKFKSNPSA-N 473.313 6.100 50 1 JKGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587371762 DCHKVHWAVLRRPZ-XGHFZOJJSA-N 473.953 5.111 50 1 JKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686863 XUHADLQHWAGDQZ-FIKIJFGZSA-N 451.767 5.403 50 1 JKGF COc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Br 586977070 MZKKOVMNSLGWHK-CLTKARDFSA-N 455.246 7.162 50 1 JKGF O=C1CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 587321999 LAHJEDHMYJEHDW-ILBGXUMGSA-N 496.332 5.065 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587497330 CAZJDXNVYQHOIH-AREMUKBSSA-N 475.386 7.236 50 1 JKGF COc1cc(Cl)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587501805 YMVDEAVIFSVQBL-QFIPXVFZSA-N 465.771 5.492 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C 587541925 DTPKUZHLKOLLNR-BKMJKUGQSA-N 483.948 5.274 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Oc2ccccc2)cc1 587545287 QMULILMZYCEXTG-IGKIAQTJSA-N 458.897 6.280 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(F)c1Cl 587556361 OGIVDDQNPSEOLU-DYESRHJHSA-N 498.131 6.090 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683847 IGFRTHIPISIUCW-OYLFLEFRSA-N 487.800 5.592 50 1 JKGF CCCn1c(C)cc([C@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1C 962957383 MYOHBPIVKOJTHZ-QHCPKHFHSA-N 454.964 5.668 50 1 JKGF Cc1ccc(/N=C(O)/C(C#N)=C2\S/C(=N\Nc3ccccc3)C(=O)N2c2ccccc2)cc1 73198956 YHTDVMCGCCCNRF-ZEXHVQNZSA-N 453.527 5.524 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 206032861 WBACZIGNMMQGOU-NRFANRHFSA-N 468.397 5.581 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054222 DBCPNYABQPHJLJ-KYIYGJGQSA-N 465.344 6.065 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)O2 587382046 MXQVUDVIPITFMN-QHCPKHFHSA-N 462.899 6.103 50 1 JKGF CC(C)(c1ccccc1)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538632 QJGPHOACHJFWAS-YKSBVNFPSA-N 453.332 5.465 50 1 JKGF Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540907 RTVLANMCPZZEEC-SIKLNZKXSA-N 474.738 5.223 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587673556 OEUQCTXBRICHRQ-QRQCRPRQSA-N 496.262 5.751 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587674043 SFNZMNLZJKRKIF-RBHXEPJQSA-N 497.033 5.650 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)cc2)N1 587679976 NFPCOTDYCPYFOP-BUXKBTBVSA-N 475.627 6.148 50 1 JKGF C[C@H](Cl)[C@]1(/C=C2\N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689176 QMGFQHSDPBCEIO-UAPCEBHCSA-N 477.849 6.257 50 1 JKGF COc1cccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587930627 IRTULXWUMIFDOW-UHFFFAOYSA-N 457.262 6.777 50 1 JKGF CC(=O)c1csc([C@]2(CCl)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961751718 TVTPMKDFYLQBHH-DEOSSOPVSA-N 461.027 5.584 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(C#N)=C(C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857762249 WYIGVUVXDMDXHG-PLSCGVOGSA-N 491.716 7.056 50 1 JKGF Cc1ccc(Cn2cc(/C=N/NC(=O)Nc3nc4ccc(CN(C)C)cc4s3)c3ccccc32)cc1 299858326 GIUXIYXEEPJIPQ-WKULSOCRSA-N 496.640 5.825 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321224 CRZATCPQJXOMLV-UIJXRGEYSA-N 452.953 6.711 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O 587460842 PMXOLKFECJUGBZ-IZZNHLLZSA-N 490.427 5.869 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587669657 FSUYAIUEAFWGNY-HTGLOVNISA-N 487.207 5.167 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671979 CDQAHKICHVRCNX-JEOXALJRSA-N 491.626 5.731 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687808 IDTYIKNVGFWWKD-ALLJEULLSA-N 467.810 5.588 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587712633 PVJYPFCWTYLDNS-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)cc2F)N1 587722651 ZJVFXEFITRODPB-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)N1 962945769 KMOQOQOIFYZBGT-DNOBIOAJSA-N 482.455 6.644 50 1 JKGF Cc1c(C)c(C)c([C@@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)c1C 962962764 XDFOMWQAYLOTGI-RUZDIDTESA-N 465.987 6.381 50 1 JKGF CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72178342 DWLKFVBTLTUXED-WCWDXBQESA-N 465.266 5.592 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 587322594 NMAQTFFGZYUKMV-ISKFKSNPSA-N 469.306 5.116 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@H]1c1ccc(F)cc1 587329696 YVKZLZQNDFPBKT-REWPJTCUSA-N 457.288 5.554 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546685 XFRLVVDIFNNHTB-IGKIAQTJSA-N 450.962 6.611 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587686948 DQKBYDUJLNTMFD-JCQPUDPBSA-N 496.251 6.666 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587687852 IXGDLGBQXXLROU-JCQPUDPBSA-N 496.251 6.666 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl 587704644 KECIVEYRDOYSPL-WMIGDMCZSA-N 465.278 7.057 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1cccc(OC(F)F)c1 962395532 DHQHIRQUJBVLPK-NRFANRHFSA-N 467.379 5.385 50 1 JKGF CC(C=O)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356456468 FPOOHFGLFKYUON-QTLGCAHFSA-N 495.399 5.261 50 1 JKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]12)OO 2356460094 JOMWQAFTYLTZSF-VPDXKDAQSA-N 498.660 5.706 50 1 JKGF Cc1c(Br)cc2c(c1Br)O[C@]1(CBr)[C@@H](C)CC[C@]21C 2356787724 BPZFKJQFSJAGFX-PVJOKMEKSA-N 453.012 5.734 50 1 JKGF COc1ccc(OC)c(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)c1 103191800 COOLFWWSKMPEIC-IMYWFDTISA-N 460.530 5.050 50 1 JKGF C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)OC(=O)/C=C\c3ccc(O)cc3)[C@@H]2CC[C@@]1(C)O 238731386 VHWCBTIGFYIWEG-RKATVWKVSA-N 466.618 5.971 50 1 JKGF CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 587101665 IXKNBCZRNNVIIJ-UGSOOPFHSA-N 479.374 5.722 50 1 JKGF CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319780 CZWFDSLMAZXJBN-AUSIDOKSSA-N 479.342 5.003 50 1 JKGF CC(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320213 FAVLGXUITQFEFO-ZCYQVOJMSA-N 469.350 6.304 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322999 JANXQESYKKIJPX-NOKUJIJLSA-N 495.978 6.398 50 1 JKGF COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587372074 DUKTWHMZWYITPR-SIKLNZKXSA-N 491.334 5.029 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)O2 587376344 WUEJISGZZGUAJO-RUZDIDTESA-N 474.439 6.133 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)O2 587382048 MYMIECSDKRHNJS-KRWDZBQOSA-N 483.111 6.158 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Br)c1 587505781 VNARMDXSTLBURJ-SANMLTNESA-N 498.848 6.835 50 1 JKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505809 QEIZQBWQVUMYOQ-HHHXNRCGSA-N 498.381 6.444 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545359 RASRPWMBBYCZAJ-WNCULLNHSA-N 450.962 6.566 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587685731 RMOGFLFGGSEQKN-ZSEKCTLFSA-N 453.783 5.343 50 1 JKGF CSc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587846326 QPZKXVCUZXQHAP-ADLMAVQZSA-N 459.222 5.483 50 1 JKGF COc1cc2c(cc1C(=O)Nc1cccc(OC(F)(F)F)c1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857649905 CVFPXIGQNKHGSP-BKMJKUGQSA-N 498.501 5.725 50 1 JKGF C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356518588 VSAWFCPZOWGXLL-IALVYGIMSA-N 490.760 7.402 50 1 JKGF CCCCCC[C@@H]1CC[C@@H]2CC3=C4CCC[C@H](N=C(N)N)CSSCC[C@]2(C)[C@]31CC4=O 85549603 ZAKAKJOGFKHZJF-IAWGUMCBSA-N 477.784 6.246 50 1 JKGF biogenic,in-vitro FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587087921 GUQUEKYZWVTAML-ZETCQYMHSA-N 468.236 6.733 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587332115 IYOQXXRNVVVFQX-JTHBVZDNSA-N 459.286 5.710 50 1 JKGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549014 PJELKQRRZDEJRE-MCVWCKRISA-N 493.275 6.052 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N=C=S)cc1 587614267 ROKUZRISOGEXGW-IGKIAQTJSA-N 451.503 6.032 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(F)cc2)N1 587727469 BDUJDZZYNOHIMV-BLVKFPJESA-N 459.172 5.680 50 1 JKGF O=C(Oc1ccc2ccc(=O)oc2c1)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621431734 CDVKCFDUKCQFBD-HNHUPPRJSA-N 468.502 5.078 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962714537 PCNJBZMLBSUVHV-CLOONOSVSA-N 461.046 5.555 50 1 JKGF CCCCCSC(=S)N1CCN([C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)CC1 1857563416 HXIGIBXFBAVARS-UUVGWGFVSA-N 498.755 5.020 50 1 JKGF C=CC[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@H]12 1911575493 RFGPRCBQFFHPNI-TXVKUACNSA-N 490.582 6.267 50 1 JKGF COc1cc2oc3c(c(=O)c2c(O)c1C=CC(C)C)C[C@H](C(C)(C)OO)Oc1cc(O)ccc1-3 2356469620 UYYZSBJGWJNBMX-OAQYLSRUSA-N 468.502 5.121 50 1 JKGF C=C(C)[C@H](CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12)OO 2356575265 HASDXLPYERWHOW-IJSSEFRYSA-N 484.677 6.527 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13834918 AQZJMTJFOQIQLP-YGOAYBHVSA-N 494.716 6.875 50 1 JKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(F)cc1)OO2 64448639 DFANAGSNEHHOOU-XSRDFGTCSA-N 457.545 6.713 50 1 JKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 194956048 YCWNSSLCHYTWSQ-IPLQWIFKSA-N 478.557 5.045 50 1 JKGF C=C(C)[C@@]1(O[Si](C)(C)C)CCCC[C@@H]1CC(Sc1ccccc1)Sc1ccccc1 195487824 DVEYEJRYKJXPKH-GJZUVCINSA-N 456.793 8.644 50 1 JKGF COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1F 587054568 GGLBSQPKSORAES-OVCLIPMQSA-N 455.320 6.489 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C 587326520 LQSKIZVITVMSKG-SQHAQQRYSA-N 499.966 5.810 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)cc1 587332335 SAJLULKTFSBXMP-NFBKMPQASA-N 493.275 5.782 50 1 JKGF CCOC(=O)[C@]1(CCBr)CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587360038 LANIKGXBYSEADN-SANMLTNESA-N 494.385 6.189 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccc(Cl)cc4)no1)[C@@H](C2)C3=O 587413037 LXNJIGHZLDTWBC-BTYIYWSLSA-N 460.711 5.041 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O 587415226 QPQOSHVLSHBPFT-WDJPJFJCSA-N 469.762 6.128 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538904 SBEIURLQOAOQJB-USUFYUJYSA-N 481.386 6.330 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1OC)C(=O)[C@H](C)Cl 40973530 VTSHXSINHSWXOP-SIBVEZHUSA-N 480.008 5.178 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998936 SOSLGTNQUDAFDK-POHAHGRESA-N 491.279 8.413 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 587328118 SYWANUCNHAKVPJ-UHSQPCAPSA-N 484.910 6.117 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)O2 587383363 SHABETNRYOECFA-XMMPIXPASA-N 495.353 6.339 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1sccc1Br 587612584 JZYWRZMDPIMXHC-BEFAXECRSA-N 451.725 5.312 50 1 JKGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587688616 MOQCIHUNQHPHDZ-DMDKVIGKSA-N 479.777 5.698 50 1 JKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1ccc(C#N)cc1 1772642040 ORJDJWYGYDTXBK-PNQUVVCRSA-N 489.898 5.202 50 1 JKGF C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CCCC[C@@H]1Cl)C(=O)NCCc1ccccc1 27631864 STDXKINLJZQPOB-WFIHMLKPSA-N 482.024 5.104 50 1 JKGF C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 73164904 OHQKJWNLDVIVTH-QVIVLVACSA-N 492.217 5.666 50 1 JKGF O=C1C=C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 84619176 QGNVBFQSHSBJRM-UHFFFAOYSA-N 489.575 6.547 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 206032835 DQXSGSIJXJWQFI-QFIPXVFZSA-N 482.424 5.971 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4cccc(F)c4)C(=O)O[C@@H]3[C@H]21 206984974 HCBYBDNCXROCCT-PANFYNLRSA-N 456.674 7.052 50 1 JKGF C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 255207607 DSOJBUJYPBMGGO-JIDJIRCESA-N 476.742 6.998 50 1 JKGF C[C@H](Br)C1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320699 GVQLWMROBPIKLA-PSVSLLHZSA-N 472.148 5.196 50 1 JKGF C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322394 MAAFLCJFLQOEQZ-VWNXMTODSA-N 484.321 5.139 50 1 JKGF O=C1C[C@@](CBr)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 587498963 KORLNKFGIWBRRU-HXUWFJFHSA-N 450.170 5.584 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 587672936 JAJVDIFLESRTQS-MLCYQJTMSA-N 477.599 5.639 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587729232 CLTXBXBBUGIUJJ-NPMABZOXSA-N 479.796 6.151 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962714542 PCNJBZMLBSUVHV-DFBJGRDBSA-N 461.046 5.555 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCl)(c2cccc(F)c2)N1 963175405 BJPPLAUVQSJHMF-CTNGQTDRSA-N 478.313 6.140 50 1 JKGF CCN(CCCl)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963186411 KUPVIYJKVABYID-RTBURBONSA-N 461.311 5.112 50 1 JKGF COc1ccc([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cl 963819908 YSFXFFWNARMKOO-AREMUKBSSA-N 467.396 6.037 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 587322598 NMAQTFFGZYUKMV-LADGPHEKSA-N 469.306 5.116 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587327728 RCZDEEPMNCNORY-XRKRLSELSA-N 489.974 6.740 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl 587537545 HMGINJPSUGQDGH-SIKLNZKXSA-N 459.723 5.606 50 1 JKGF C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 587672223 YFJOIMGGJZIJPH-QNFIZJHFSA-N 485.279 6.318 50 1 JKGF CCOc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673428 MRDLXVMYAHQOJC-BUXKBTBVSA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 587682426 CHEBPRMZQZWPDV-QMTYFTJSSA-N 497.839 6.764 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682477 CMGKSKFHOWOYRI-BSEYFRJRSA-N 456.786 6.176 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 587689308 RQHIOFHFKXFBLC-HGPNYFESSA-N 483.812 6.827 50 1 JKGF COc1ccc2c(c1)[C@@](c1ccccc1OC)([C@H](Cl)C(=O)c1ccccc1OC)N(C(C)C)CC2 962088250 FMZRQZRZJCXZAN-WDYNHAJCSA-N 494.031 5.713 50 1 JKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)NCCc3c2c(C(C)C)nn3C)cc1C 962918231 NSDUSFMSXOOUHQ-WUFINQPMSA-N 464.053 5.657 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)[C@@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 963243409 SCCNOCOZLJRMQY-YNRIFVMWSA-N 496.076 6.225 50 1 JKGF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 2356465008 WTQGCUIIGTXDIX-KVOFHRAUSA-N 498.912 9.884 50 1 JKGF CC1(C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 29550091 IEXLKJSEFXEFEB-IHSXMCJSSA-N 475.157 8.480 50 1 JKGF CSC[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 43871822 DULSNRKMESAJMW-QGZVFWFLSA-N 496.268 5.775 50 1 JKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O)CC(=O)CC2 85597444 ODTSQSJNMRZCKH-LJQANCHMSA-N 498.666 6.245 50 1 JKGF biogenic,in-vitro O=C1c2ccc(O)cc2O[C@](CBr)(C2(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587319600 CGEZJXZZFUIWFQ-RDGATRHJSA-N 467.334 5.756 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320304 FHIZFNZPFWCOHQ-CCXQXCJASA-N 497.404 6.768 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2coc3ccccc23)[C@@H]1c1ccc(F)cc1 587321564 KCXZYOCFHAXXLZ-VWNXMTODSA-N 467.290 5.927 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCC2 587539532 WXYQVOZPCTUCOP-QPPBQGQZSA-N 451.316 5.133 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1nc2ccccc2s1 587619359 SAGSWEWHLPPBKH-AVRDEDQJSA-N 468.328 5.254 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Cl)c2Cl)N1 587672638 GROXROLLLLZRLB-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587672985 JJPUVTJKEOCFEE-APBUJDDRSA-N 487.594 6.161 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587685195 ODMONFFENCLMRC-MLCYQJTMSA-N 451.594 6.302 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685749 RPGDBTXNDJPPFO-LRTDBIEQSA-N 453.783 5.343 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 587715427 HQIREFYJDNNCOR-VVVCHXIZSA-N 465.563 5.553 50 1 JKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587852788 JATWQCDAHBDEHK-BIBXISHDSA-N 483.244 6.284 50 1 JKGF Cc1onc(-c2c(Cl)cccc2Cl)c1[C@]1(CBr)NCCc2c(C(=O)O)cccc21 963135128 WTZAGCCXTNYIEE-OAQYLSRUSA-N 496.188 5.439 50 1 JKGF CC(=CC[C@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)C(Br)Br 2356649722 XELJFHNIOKSRIG-XKSSXDPKSA-N 480.293 6.046 50 1 JKGF Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1N 1662935 FUHWKCDGKNQLHR-BRJLIKDPSA-N 483.022 5.070 50 1 JKGF Cc1ccc(/N=N/C(=N\NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5582811 FSLXBXKPYUONSW-SJXRGTFUSA-N 491.599 6.121 50 1 JKGF Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 45321678 GHWZWISHABGHCN-LOSJGSFVSA-N 480.347 6.029 50 1 JKGF N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933490 RVBWZTPOQQKYOJ-DQEYMECFSA-N 491.938 5.564 50 1 JKGF Cc1ccc2c3c(c4c(nc13)[C@@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586992528 CMVJOWSTKSWDSL-LIRRHRJNSA-N 493.401 6.030 50 1 JKGF O=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 587276752 UVGUDWYJOFSYBO-UHFFFAOYSA-N 458.202 5.971 50 1 JKGF O=C1C[C@](CBr)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 587501935 CZKFAXWWTBWGNL-FQEVSTJZSA-N 497.170 5.426 50 1 JKGF O=C1C[C@](CBr)(c2sccc2Br)Oc2c1ccc1c2CCCC1 587532708 SBWWAKGHDKDERV-SFHVURJKSA-N 456.199 5.645 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1F 587557917 PUGXSAIWFHADQT-SIKLNZKXSA-N 477.713 5.780 50 1 JKGF CCN(CC)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672228 FEZNAYWXVMDJEE-SZNDQCEHSA-N 484.251 5.607 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 587672938 JAJVDIFLESRTQS-YPMLDQLKSA-N 477.599 5.639 50 1 JKGF COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686802 XNOAJXQEMVEELY-FVINQWEUSA-N 454.723 5.065 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Br)N1 587846592 UYTHHIHMWOSOTR-VXJOIVPMSA-N 498.053 5.585 50 1 JKGF COc1ccc2c(c1OC)[C@@]1([C@H](Cl)CCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680132 SBPONDHBGIYXIQ-NTKDMRAZSA-N 481.942 6.044 50 1 JKGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 95586887 JRQQUGPXPNIOAJ-WSOBQERESA-N 475.673 7.032 50 1 JKGF CCc1ccc(CN(SNc2ccc(Cl)cc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103169216 OBJXDVAYBDHMJI-UHFFFAOYSA-N 496.120 7.852 50 1 JKGF Oc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc2c1CCCC2 586897577 GBZQPJASQLPMLI-UHFFFAOYSA-N 469.273 7.234 50 1 JKGF Fc1ccccc1-c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587153218 OABQCNXVDSJSGX-UHFFFAOYSA-N 493.270 8.456 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587326362 LHGNOTCFNLJSOT-ILBGXUMGSA-N 454.881 5.186 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccn2)s1 587612253 IZRDLKPIOFIEKP-ZJSXRUAMSA-N 494.366 5.768 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 587684893 MVBZXGSPZNYTGV-OZAJXLCCSA-N 470.769 5.698 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C 587689023 ORCVZKMMAALMBM-VERVWZFWSA-N 485.825 5.220 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 587690103 ZCSXAVAPGWFQHY-FRSOMBHASA-N 463.822 5.868 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccccc2F)N1 587729428 VKLVTVLEGHASOY-CYXMAGCYSA-N 459.172 5.483 50 1 JKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(Cl)c(Cl)c1Cl)N(C)[C@@H](C)C2 962574330 UGWOCHFMBZPTMX-YBTHPKLGSA-N 493.656 6.179 50 1 JKGF N#Cc1ccc([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)s1 962627645 HGWAJHMCQQJAHY-HYBUGGRVSA-N 464.432 5.005 50 1 JKGF CS/C(Nc1ccccc1Cl)=C(/C#N)[C@]1(C(C)(C)C)c2ccsc2CCN1Cc1ccco1 962703559 CJFTUKBITLQGKU-VNGCWQDASA-N 498.117 7.504 50 1 JKGF C[C@@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)NCCc2c(Cl)cc(Cl)cc21 963106828 LOGMQIKKKHHQOW-VOIUYBSRSA-N 491.256 6.745 50 1 JKGF COCCOc1cc(-c2ccc(Cl)c(Cl)c2)nn1-c1ccc(NC(=O)CCl)cc1 1857638632 ZQPGPFBRNIUBKD-UHFFFAOYSA-N 454.741 5.049 50 1 JKGF CC(=O)Nc1nc(Br)c2ccccc2c1-c1ccc(N(CCCl)CCCl)cc1 1561314 UBMJISDELLKZSW-UHFFFAOYSA-N 481.221 5.907 50 1 JKGF CCCC[C@@H](/C=N/NC(=O)N1CCc2ccccc21)NC(=O)OC1(Cc2ccccc2)CCCC1 28570446 CUBTWRAEDWNWHM-VSMOEHSHSA-N 476.621 5.585 50 1 JKGF CC(C)(Cl)[C@H](Br)CC[C@](C)(Br)[C@H](Br)CBr 73273461 VQJJUSUYXITRKY-MRTMQBJTSA-N 492.315 5.860 50 1 JKGF COC(=O)[C@H](CCC#CC=C(Cl)Cl)[C@H](CCC/C=C/CC(Cl)Cl)NC(C)=O 85918793 FRBZGQKWERYAML-VFXWJFPTSA-N 457.225 5.303 50 1 JKGF COc1cccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)c1 96272491 NUUVDLXJSUQIGF-IBGZPJMESA-N 472.774 5.190 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169304597 CASWDFLWXWLZCX-OBCUTFANSA-N 480.985 5.471 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 587457942 DRLISHBMMASJCM-WQIZZMQYSA-N 489.955 5.364 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587509910 YGJGWPWUXGQOJT-MHZLTWQESA-N 485.958 6.674 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccccc2c1 587538133 NSUJIFCWCGEBGB-WIOPSUGQSA-N 461.311 5.797 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)ccc1F 587542560 AADFSAZXLGSSQV-RXVVDRJESA-N 497.238 5.802 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587671485 SERJYKYUIWULCN-QQKBFRNYSA-N 491.626 5.811 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587685225 OOGVXGJQLPDHFK-QKFKETGDSA-N 494.788 5.537 50 1 JKGF CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/C=C\c4ccccc4)n3)c2C)c1 587924135 HJKSFQSNUFLDMX-NYYCTCLTSA-N 453.636 7.560 50 1 JKGF COc1ccc2c(c1OC)[C@]1([C@H](Cl)CCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680129 SBPONDHBGIYXIQ-DVECYGJZSA-N 481.942 6.044 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cc(F)ccc1F)[C@H](Br)CCCl 963225744 FXECMLSVQJZGLH-RTOPAQNCSA-N 456.802 6.257 50 1 JKGF O=C(c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1)N1CCSCC1 1857631524 IHNLYGFBULONDG-UHFFFAOYSA-N 485.646 5.292 50 1 JKGF C=C(C)C(=O)CCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356466232 YAMAETJPGJWVHQ-UKDVSSAZSA-N 495.399 5.261 50 1 JKGF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356645522 TZWRPXXRQJDCPG-YCOFTZFGSA-N 488.917 9.964 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O 2356733700 PIOYBULRRJNPSG-MRETXTMBSA-N 454.695 6.837 50 1 JKGF COC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](Cl)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 29551917 NEVYPTQNRNGLGC-ODZGPOSISA-N 489.184 8.569 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40684907 NZHILLNCMVMAFP-JSMIYBGHSA-N 492.950 7.293 50 1 JKGF COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\C=O)[C@@]3(C)CC[C@H]21 169291895 XCWQDUIKQDWONL-XALKMUAPSA-N 496.644 5.477 50 1 JKGF COC(=O)C(C)(C)c1ccc(-c2nc3ccc(O)c4c3c(c2CCCl)-c2ccccc2C4=O)cc1 586985910 MDFNHNAAECLLIR-UHFFFAOYSA-N 485.967 6.051 50 1 JKGF Cc1c(Cl)ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587055757 MOEQBQDCDVJYMS-YBEGLDIGSA-N 455.776 7.303 50 1 JKGF Nc1cccc(C(=O)O)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587248512 RMSIBDQUNXMIKK-UHFFFAOYSA-N 458.206 5.930 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587684543 KYAXTXRMMYWLLG-YTEVENLXSA-N 463.778 5.211 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689768 VVFUNQJWTJTAHK-OWJWWREXSA-N 475.833 6.321 50 1 JKGF CC(C)c1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689812 WQCAPHCKBAWJII-JRLRZGBRSA-N 466.866 7.240 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Cl)N1 587725360 CTJSMOSVZFWRMN-HUTHGQBESA-N 465.563 5.553 50 1 JKGF C=C[C@](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C 2356526980 RBCZOQQEGCYPRX-NMWYEMLTSA-N 458.683 6.592 50 1 JKGF CC(=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO 2356709910 ADDJEJWGIYLORW-QTLGCAHFSA-N 497.415 5.055 50 1 JKGF O=C1[C@@H](Cl)[C@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 1662029 JLSMKKTURMJQEA-PMACEKPBSA-N 468.365 5.397 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1cccc(Cl)c1 13675467 MHBNNSFFNAXGRR-QFIPXVFZSA-N 483.399 5.896 50 1 JKGF CCc1ccc(CN(SN2CCOCC2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103204846 VPAIHAVJRVQBOM-UHFFFAOYSA-N 455.668 5.419 50 1 JKGF CC(C)(F)[C@H](Br)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587087109 LXYCWZKTHJCXPS-OAHLLOKOSA-N 458.253 6.018 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587319572 CDRVZINRTNKNSQ-ISKFKSNPSA-N 489.768 6.614 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329848 FPNPRKLAFOEWEA-CQOQZXRMSA-N 491.303 5.933 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587497871 DNIUXQKYMZVRSQ-HHHXNRCGSA-N 477.398 6.400 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C 587541926 DTPKUZHLKOLLNR-GJZUVCINSA-N 483.948 5.274 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587542235 GHWORCZCVSTQTD-LSYYVWMOSA-N 473.956 6.204 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1F 587542602 AIBCOUNEQCZZCP-NQIIRXRSSA-N 497.238 5.802 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 587689897 XRMKDOIRZDERMB-YPCHGGDPSA-N 466.866 7.240 50 1 JKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccccc1OCC(F)(F)F)N(C)[C@@H](C)C2 962576277 WSAUGGCYDNMKKI-QKKBWIMNSA-N 488.344 5.160 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962708802 KXZWRUKAMDMAQD-UPBLURMWSA-N 474.361 5.634 50 1 JKGF Cc1ccc([C@]2(CCCCCCCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962980545 UZDYLVPIPIIFFT-XXBNENTESA-N 456.360 5.958 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]21C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C#N)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 963004386 CIFPSGDJSQYGHJ-QSDGFMTPSA-N 450.692 5.923 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)[C@@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 963243407 SCCNOCOZLJRMQY-YGRUTGNNSA-N 496.076 6.225 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cc2cc(Cl)ccc2o1 963288443 BCEJIFZONMYETB-LJQANCHMSA-N 469.604 5.975 50 1 JKGF O=[P@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@@H](C(Cl)(Cl)Cl)O1 1855891 CNHAOASKKIUHJG-BSNNYGBQSA-N 461.924 6.048 50 1 JKGF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCCCCN=C=S 22450576 MUVARIKITYVRFW-PSWAGMNNSA-N 462.707 6.242 50 1 JKGF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CN(CCCl)CCCl)C[C@@H]21 29227250 MZSOQYHSESZDDH-DHIUTWEWSA-N 496.519 6.715 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC)CO[P@](C)(=O)F 44418329 CDHQVIDRFGTHFA-INCHMEKASA-N 450.572 7.391 50 1 JKGF CCCCCCC(Br)(Br)C(=O)C(Br)Br 85922015 YEWNPDDJLMEGFT-UHFFFAOYSA-N 457.826 5.128 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327288 ORWJANHEXQEVPN-SHQCIBLASA-N 452.953 6.712 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCC(F)(F)CC1 587555991 MZQAGLJLUNUUEG-UTKZUKDTSA-N 453.279 5.313 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 587718357 NSJYCZBUNNVZCI-MLCYQJTMSA-N 479.134 5.362 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1ccccc1Br 962374897 MSRVRRXOIPKFNP-HXUWFJFHSA-N 480.269 5.546 50 1 JKGF CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962671803 XEABMHYVFXAMCS-NOZRDPDXSA-N 450.376 5.070 50 1 JKGF C/C(=C\C(=O)O)c1ccc(N(CC(C)C)CC(C)C)c(NC(=O)N/N=C/c2ccc(F)cc2F)c1 1857618414 BABMZYNBJWHBDX-GGZRUUKBSA-N 486.563 5.727 50 1 JKGF COc1cc2c(cc1C(=O)Nc1ccc(OC(F)(F)F)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857769483 NXGVMMGIBWOQDT-BKMJKUGQSA-N 498.501 5.725 50 1 JKGF C[C@@H]1C(C=O)=C[C@H](O)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 2356519995 VPUGJHCMFDNBBF-FOBYXOGISA-N 456.711 6.175 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1F 13675449 PRMUEXGELGWCFE-OAQYLSRUSA-N 466.944 5.382 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056885 SJACDICEUDTKPU-VGOFMYFVSA-N 469.303 6.179 50 1 JKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587672844 IMBYTZMMYYCQAS-YBTHPKLGSA-N 467.176 5.816 50 1 JKGF CCCCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674228 VDEXUBJYCMOJKG-NYHFZMIOSA-N 483.263 6.494 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587686455 CTRXLFRQROKINA-PUAOIOHZSA-N 489.860 6.629 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587689963 YCYOEQHJKLZIBW-SIJXKNKUSA-N 475.833 6.401 50 1 JKGF O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1 147490394 ZVKCPZAQZVTZAS-UHFFFAOYSA-N 477.314 5.157 50 1 JKGF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 587030248 BWXIIOIFZBLWEW-QOUOVQQFSA-N 496.552 7.347 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055203 KUHTXXHTDJYHTQ-LDADJPATSA-N 463.412 7.639 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587325007 WCPIMUGSHCLONJ-FKIBOPDCSA-N 493.962 6.473 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 587329574 DXLKAHVTRKJZLR-JTHBVZDNSA-N 493.731 6.316 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1oc4ccccc4c1CBr)[C@@H](C2)C3=O 587413786 QGDQVEUAOQLFPS-FNZWTVRRSA-N 475.338 6.028 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](Br)c1ccccc1 587537361 DJJNBURTJSTCAF-MSLLRLGPSA-N 487.349 6.386 50 1 JKGF CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541714 DFIVGHGKJCMZNL-RCZVLFRGSA-N 451.906 5.227 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(F)c1F 587557840 PBRMFQQUUMSEDT-LAUBAEHRSA-N 465.221 5.062 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2)N1 587673662 OZGGCKSSKJYCRW-BTDLBPIBSA-N 492.024 5.523 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674748 ZYYFJJIXKZQRME-GTJPDFRWSA-N 494.202 5.724 50 1 JKGF COc1cc2c(cc1OC)[C@@H](c1cccc(CCl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676130 PJTIKWQUIYFWHP-XMMPIXPASA-N 489.921 6.249 50 1 JKGF CC(C)c1nn(C)c2c1[C@](CCCCCCCl)(c1cccc(Br)c1)NCC2 962918074 MTLHPGROVKYFJM-QFIPXVFZSA-N 452.868 5.885 50 1 JKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21NCCc2cccc(Cl)c21 963391428 SVZSZEXDTCATHE-YMXBGEKHSA-N 485.798 5.541 50 1 JKGF CCCCC(CCCC)N(NC(=O)c1ccc(CC)cc1)C(=O)c1cc(F)c(OC)c(F)c1F 43066669 RWTRGFCRTSAXEM-UHFFFAOYSA-N 478.555 6.211 50 1 JKGF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587048784 AIXPWALHBAJUPB-UHFFFAOYSA-N 490.679 7.262 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587319497 BXSPJSCTVLMKFN-IRLDBZIGSA-N 472.266 5.089 50 1 JKGF CCCc1c(O)ccc2c1OC1(CC2=O)C(CCl)(CCl)CCC1(CCl)CCl 587458312 AFDRBHBFVJVRQK-UHFFFAOYSA-N 454.221 5.771 50 1 JKGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587501186 WLESSTAOWKZWLW-NRFANRHFSA-N 480.196 5.592 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587673901 RHIVODJGZUSWRQ-ASSNKEHSSA-N 469.236 6.058 50 1 JKGF Fc1ccc([C@]2(CCCCl)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1F 962627595 HAJCGTQOWBXSBW-WNCULLNHSA-N 452.976 5.974 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]2(COC(=O)Cc1ccc(CBr)cc1)c1ccccc1 963016192 XPZPXIXODILXEH-VWLOTQADSA-N 484.459 5.435 50 1 JKGF O=C(O)[C@@H]1Cc2occc2[C@]2(CCC[C@@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963187239 CHVZDHBPDJEYTF-DPPGTGKWSA-N 477.944 5.527 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1 963223499 BFDLXUBBDBQNRW-ADCSMLMYSA-N 459.977 5.112 50 1 JKGF Cc1c(C(=O)OCC(O)=C(C#N)c2nc3ccccc3[nH]2)oc2ccc(Br)cc12 1857623333 IQSBQFIUCFCSKG-UHFFFAOYSA-N 452.264 5.030 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)C1=O 1857655944 NUYBVXHBTBCSIR-NRFANRHFSA-N 466.553 5.772 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 5891304 UYSHRHKOHCLBCE-IGKCVBRUSA-N 486.693 5.724 50 1 JKGF C[C@H](C(=O)NNC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Cc2ccccc2)c1 84597036 SSXBYDUZLVHMGP-QFIPXVFZSA-N 463.581 5.501 50 1 JKGF N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933465 IUAUQYQJLPKKHM-LOSJGSFVSA-N 475.939 5.859 50 1 JKGF COc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046279 DXDCNHCDNOIFGP-QPJJXVBHSA-N 482.902 8.088 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)O2 587384668 HJOZIBSGKFNHAU-XMMPIXPASA-N 473.331 5.456 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670179 IJWRAEMSRJJLAN-ZINOCKGTSA-N 471.208 5.548 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 587853741 RGIDFXDLRLCNMU-WIUDPPPLSA-N 482.850 5.777 50 1 JKGF Cc1[nH]nc2c1[C@](c1cc(N3C[C@@H]4CCC[C@H]4C3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772656345 UVNLDLCBDFRUCP-YWTKSJFSSA-N 471.527 5.002 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(C)C(=O)C1=C(C2=O)[C@H](N=N)C(=O)C=C1O 2356843920 NQTFQLKDNBYGBP-BXZUJWFASA-N 489.012 5.493 50 1 JKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCI)C[C@@H]12 28655084 YDNINGKKTQTCFZ-GZNZXPAWSA-N 460.440 5.192 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccn2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40685211 YFSZDUYBEKYLLN-SQYHMDOVSA-N 459.493 6.035 50 1 JKGF O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53293409 GLUCKWKLAVSGBT-YADHBBJMSA-N 460.946 5.095 50 1 JKGF CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118922601 NUVDETAVXDNNIF-ZFCAAWJCSA-N 452.639 6.203 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055086 JTHWIRYPGLDWDS-QPEQYQDCSA-N 477.182 7.043 50 1 JKGF O=C1C[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1 587496863 AFMWCDWDEJEDQE-FQEVSTJZSA-N 495.167 5.492 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538672 RCQBBMWTXSNOJI-FBLLAGFSSA-N 496.357 5.381 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587689404 SADWMMFTOQMJQK-WIUDPPPLSA-N 466.782 5.309 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Cl)N1 587725832 GMDXBEVEBULWJX-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Cl)N1 587842416 DONKKHNJNMAKPD-GLEZIHRCSA-N 453.602 5.476 50 1 JKGF Oc1cc2cc([C@]3(CCl)c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)cc3c2n1CCC3 962634470 HQXKAGBKSJDJPE-PDDLMNHVSA-N 484.043 5.522 50 1 JKGF O=C([C@@H]1Cc2ccccc2[C@]2(CCCCCCCCCC[C@@H]2Br)N1)C(F)(F)F 962729659 IVYXNJCCGBQPTP-ZJOUEHCJSA-N 460.378 6.206 50 1 JKGF COc1ccccc1[C@@]1(CCCCCCCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962767677 PYORMRHITYZBOV-REWPJTCUSA-N 453.932 5.774 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)CO[Si](C)(C)C(C)(C)C 963842221 WADGAIWZPQXRIJ-KBMIEXCESA-N 463.691 5.869 50 1 JKGF C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 2356465006 WTQGCUIIGTXDIX-BFZCYWKSSA-N 498.912 9.884 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@]34CC[C@H]5[C@@H]6OO[C@H]6CC[C@]5(C)[C@H]3[C@H](OO4)C(=O)[C@]12C 2356625807 AMDQNMUODBOOSA-FXSQAHHASA-N 458.639 5.681 50 1 JKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C 2356632750 RGRCZGBEYSJVDE-HLSAHWISSA-N 471.711 5.337 50 1 JKGF C=CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802481 QGSXPBIALXIRPA-VNRABVQOSA-N 470.516 6.806 50 1 JKGF C[C@@H]1C[C@H]1[C@H](C)C[C@@H](O)[C@](O)(CCl)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 255219274 IDJFQGHMTPJXRG-LSGVNIAISA-N 495.144 5.198 50 1 JKGF C[C@H](O)c1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 587022458 QVGBCXRSZSCLFT-YFKPBYRVSA-N 450.252 6.160 50 1 JKGF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587056880 VQXJTXVLWQGLDL-INIZCTEOSA-N 498.861 6.909 50 1 JKGF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587167221 IOIDXUAFIFFIFZ-INIZCTEOSA-N 450.408 6.728 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322017 LCMUWEJYEBKWIP-LADGPHEKSA-N 471.322 5.579 50 1 JKGF C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325100 BYZBOKXOXUHBOW-ZCYQVOJMSA-N 453.897 5.373 50 1 JKGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325273 DBXCOYJBPRPODP-SGOPFIAHSA-N 467.924 5.222 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O 587420714 IIWCSDISAVMXDE-UQBPGWFLSA-N 468.336 5.217 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674710 ZPKWUKQTQLIEML-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(Br)cc2)N1 587676691 FJUWHNRQLLKTOS-BBATYDOGSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587686622 WBHFVYNFSORQRM-RCDICMHDSA-N 460.778 5.473 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587688909 OISHIEQJEDSGSH-WHEQGISXSA-N 467.810 5.488 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccc(OC(F)F)cc2)NCCc2cccc(-c3ccccc3)c21 962671194 STTKQPSTQVZASM-GYCJOSAFSA-N 458.346 6.128 50 1 JKGF COC(=O)c1coc(Cn2cc(C[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(C)C)C3)nn2)n1 1857544283 UKHYVGCZUNVLPD-QWFCFKBJSA-N 476.694 5.106 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H](C(=C)C)[C@]4(CCC(=O)O)C[C@]34CC[C@]12C)OO 2356692398 VAVXCVQSOFVUSY-YVCXHPCWSA-N 472.710 7.897 50 1 JKGF CC[C@H](C)Sc1nc(NCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135203 GNWBUALGSADGLT-LAUBAEHRSA-N 452.027 6.309 50 1 JKGF CC(C)(F)[C@H](Br)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587086630 FQZWWMDWWGZYBK-OAHLLOKOSA-N 476.243 6.157 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 587320519 FOAIPEKSRRVTGZ-AOYPEHQESA-N 496.376 5.781 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337229 UZMBINDYUOFOCH-RNBGLSFSSA-N 477.276 5.847 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(CBr)cc21 587456048 JICKAPDPQCRXHU-AREMUKBSSA-N 477.354 5.693 50 1 JKGF CCCCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539443 WJMKBKIDFUSJCR-JYFHCDHNSA-N 481.386 6.377 50 1 JKGF C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541595 CJKNKCJXCPNHLD-NLFFAJNJSA-N 463.873 5.193 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 587611352 IDEPPUCEWMHLJN-OZXSUGGESA-N 479.985 6.016 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br 587671974 CDNYBIKYVRRCQX-BPNCWPANSA-N 498.072 5.809 50 1 JKGF O=CC1=C(Cl)[C@H]([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)CCC1 963035044 ZVYKALNMGHUMJO-ZHRMCQFGSA-N 497.378 5.506 50 1 JKGF N[C@H]1CC[C@H](Oc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 1772600208 QZWYWPINEUBTCZ-VFDITBFTSA-N 453.623 5.820 50 1 JKGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CCCOc1ccc(Cl)cc1Cl 1857549259 ZVPMIOUSDMZABS-RPPGKUMJSA-N 496.778 5.614 50 1 JKGF C[C@@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc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c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1OCC(=O)NC(C)C 587220819 GMGRIELLAOZTCQ-UHFFFAOYSA-N 465.444 5.799 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587323700 MKTCQXDOGMHJPT-STUCDEKJSA-N 489.974 6.821 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)ccc1Br)CC2=O 587466091 IPOOSQPSQYSIQJ-LJQANCHMSA-N 472.148 5.502 50 1 JKGF C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538554 PLVLVROMCSLRJT-QXKFXPPUSA-N 483.402 6.092 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@@H](Br)CCCCC[C@@H]2Br 587538923 SEJKVCBARXEMBD-BZSNNMDCSA-N 496.195 5.584 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 587543843 LVBZWMSZKAMSFE-RPLLCQBOSA-N 450.962 6.735 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 587673847 QTKYPYRUZIPLBZ-LHSJRXKWSA-N 482.235 5.361 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587687975 JFVLNYDNGBQZSK-IVCQMTBJSA-N 489.860 6.629 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCCCCl)CC1OCCO1 961754063 ZSIZYPDGGQHAJN-RUZDIDTESA-N 465.034 5.205 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(NCCc3cccc(-c4ccccc4)c31)c1ccccc1C2=O 962664742 POYZUIRWXQFGFV-QPHCHLROSA-N 493.006 5.901 50 1 JKGF COc1ccc([C@@]2(CCCCCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963150710 SAQNTWHJWNWTLO-MBSDFSHPSA-N 481.014 5.051 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23c2ccccc2CCN3[C@@H](C#N)c2ccccc2)c1 963187108 HQSFSUSLGNRLEM-MFMCTBQISA-N 499.010 6.225 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cc(F)ccc1F)[C@@H](Br)CCCl 963225751 FXECMLSVQJZGLH-YDFBLROQSA-N 456.802 6.257 50 1 JKGF Cc1cc2c(cc1O)[C@@](CCCCCCCl)(c1ccccc1Br)N[C@H](C(=O)O)C2 963506099 FMOXXOHNYJVBQO-NZQKXSOJSA-N 480.830 5.495 50 1 JKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1ccccn1)C[C@@H]2c1ccccc1 1857647910 QVZUBEUJZCKTCZ-DGPALRBDSA-N 486.555 6.410 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O 2356706710 QPKNTQUMMSIKLQ-UHFFFAOYSA-N 482.752 10.391 50 1 JKGF Oc1c(Cl)cc(Cl)c(Cl)c1SSc1c(O)c(Cl)cc(Cl)c1Cl 3151492 PAXUQEJLAFNEBI-UHFFFAOYSA-N 457.014 7.818 50 1 JKGF biogenic CC1(C)COC2(CCC(NC3CCC(Nc4ccnc5cc(Cl)ccc45)CC3)CC2)OO1 43201045 TZTRMWSUUKFQAY-UHFFFAOYSA-N 460.018 5.597 50 1 JKGF CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 43328086 HHPMHXYQGAXKTP-JPJMXFGKSA-N 463.014 6.222 50 1 JKGF CCOC(=O)c1c(SCc2ccccc2)nn(-c2ccccc2)c1NCCCN=C=S 103296228 LVVDNSMAAHNXCF-UHFFFAOYSA-N 452.605 5.246 50 1 JKGF COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2CCCCc1ccc(N=C=S)cc1 253645717 MIAOJBAWGZZMRM-ZFFYZDHPSA-N 469.050 6.207 50 1 JKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587207626 HSTBSWKQAGZNLO-ZWPROKIBSA-N 476.458 6.252 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)CC2=O 587467881 TXVPSQSQAIJGIQ-AREMUKBSSA-N 455.957 6.050 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587545653 RZRFLUPJOJPXHM-ATIYNZHBSA-N 463.917 5.108 50 1 JKGF COc1ccc2cc([C@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587673233 LPWGJUWOJZXDID-DMZKTXOQSA-N 493.214 5.923 50 1 JKGF COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685608 AGJMGCAPQACCSC-BSEYFRJRSA-N 491.832 6.021 50 1 JKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587689405 SADWMMFTOQMJQK-WSVYEEACSA-N 466.782 5.309 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)cc(OC)c1O 3275441 PWMXMXNBENBXLE-RWPZCVJISA-N 462.546 5.184 50 1 JKGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1 13779128 YSHIQYAWEJWSGK-UHFFFAOYSA-N 497.477 5.340 50 1 JKGF CCN(CC)CCCCCCNc1cc(OC)cc2c(C)cc(CCBr)nc12 27656948 AMIRBYUNQMUWNF-UHFFFAOYSA-N 450.465 5.803 50 1 JKGF COc1ccc(C2=NN(C(=O)CBr)[C@@H](c3c(Cl)cccc3Cl)C2)cc1OC 43024016 CHNDCYFDIAHKDZ-OAHLLOKOSA-N 472.166 5.083 50 1 JKGF CSC[C@@H](OP(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 43362228 HPOVMSABXMTZQO-QGZVFWFLSA-N 480.269 5.893 50 1 JKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993855 RCLKZGBNPBYKMQ-UHFFFAOYSA-N 488.927 5.677 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1Br)CC2=O 587455564 CUYIEPXXDJCHBD-LJQANCHMSA-N 454.158 5.363 50 1 JKGF COc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587538283 OQFMDECBPLLBME-QPPBQGQZSA-N 469.331 5.270 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3o2)N1 587672846 IMRWXNZATSXQQM-NSPYISDASA-N 453.149 5.507 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 587854975 SQXGRGAPOGGAQD-BUXKBTBVSA-N 458.828 5.052 50 1 JKGF Cc1ccc([C@]2(CCCCCCCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962980540 UZDYLVPIPIIFFT-CVDCTZTESA-N 456.360 5.958 50 1 JKGF C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C 28473144 VCQYJXWOTVAGQM-CBLHOBGLSA-N 484.721 6.054 50 1 JKGF CN1C(=O)c2c(c3c4ccc(O[Si](C)(C)C(C)(C)C)cc4[nH]c3c3cc4ccccc4cc23)C1=O 195125872 KZQTYGHOWBIOJZ-UHFFFAOYSA-N 480.640 7.237 50 1 JKGF CCCCCCCCCCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195345662 ULZLQAWMWUNYHY-PEVXNLGPSA-N 464.687 7.466 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324614 RXBLBZOJWYSLFN-ABYGYWHVSA-N 498.893 5.757 50 1 JKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 587616972 IFIUWSHJLKZJMD-YKSBVNFPSA-N 481.367 6.167 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 587670315 JSERPKZWLJAWHE-SOHPYSCWSA-N 483.263 6.447 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2sccc2Br)N1 587844372 NLXKXJKTIMJBQO-JDNHERCYSA-N 476.234 5.404 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629127 IWXDWLFSSHJDFU-MXBOTTGLSA-N 479.023 6.104 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1-c1cccc(F)c1 963195744 WHKAVTGWWGAGOK-LOYHVIPDSA-N 484.018 6.839 50 1 JKGF Cn1c(O)cc2cc([C@@]3(CBr)c4ccccc4CCN3[C@H](C#N)c3ccccc3)ccc21 963201188 FZTDRTSUBDHUNC-VPUSJEBWSA-N 486.413 5.645 50 1 JKGF C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 2356495826 GUPQNHIGLNUBOG-DQWPXJMJSA-N 452.679 7.074 50 1 JKGF CC[C@H]1Oc2cc(oc(=O)c2Br)CCCCC#CCC=CCC=CC[C@@H]1Br 2356501972 SMHFILGKUYWOFT-RBUKOAKNSA-N 498.255 6.336 50 1 JKGF CC(C)(Cl)[C@H](Br)CC[C@](Br)(CCl)[C@H](Cl)CBr 73371409 WABYMNUXOPLVSB-MRTMQBJTSA-N 482.309 5.922 50 1 JKGF CC1(C)C[C@]2(CC[C@@H]1Br)O[C@@H]2[C@@H]1CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]12 145317907 MOAFHIUYPOXYQV-IQDQMAIWSA-N 464.282 5.438 50 1 JKGF Cc1cc(C)c2c(NC(=O)CCl)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)sc2n1 587101410 GMLYPYHMYCCKMU-UHFFFAOYSA-N 498.007 6.825 50 1 JKGF C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331261 IYDIDQAKIYPYRW-CQOQZXRMSA-N 491.303 5.933 50 1 JKGF COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F 587337895 WEYSKWQANUXWRQ-REWPJTCUSA-N 475.285 5.328 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O 587418791 CQXVCBYONBAQDY-VOJFVSQTSA-N 463.196 5.030 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498315 MSGAQBUORWLTQL-HYDGNGQDSA-N 485.967 5.585 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 587688213 JRGDMOXMPQMUIH-VNQADJAGSA-N 463.822 5.868 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711578 LCNJIAIGONKFAH-HUTHGQBESA-N 499.115 5.919 50 1 JKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)c3ccsc3CCN2Cc2ccco2)c1 962705874 FXMNGXBQZSRLRQ-ISKFKSNPSA-N 487.463 6.021 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)n1-c1ccccc1Br 963113049 YXQIFHYSIJMMKM-NBGIEHNGSA-N 487.844 6.499 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@H](C)CC[C@@H](Cl)C1(C)C)C2=O 2356341060 FLJSRYLNOZSLJX-SXZHXXDYSA-N 497.459 6.016 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)OO 2356346699 WUTWJINSEQBSKE-RHAQPJQUSA-N 474.726 6.774 50 1 JKGF C=C(CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]12C 2356512019 LUYUXYHXWBFSNU-PVJNBBDGSA-N 458.727 7.803 50 1 JKGF COc1ccc(CC[C@H](C)CCC[C@@](CN=C=S)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 29473436 OHOGPFWBUZMESP-MNNSJKJDSA-N 499.717 7.157 50 1 JKGF C[C@@H](C(=O)NNC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Cc2ccccc2)c1 84597037 SSXBYDUZLVHMGP-JOCHJYFZSA-N 463.581 5.501 50 1 JKGF CC1=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 170113634 LOQZXJRMCXAAID-UTKZUKDTSA-N 484.494 7.060 50 1 JKGF C/C(C=O)=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 257394334 CFBBUWFXWSYJHB-FUAYKQAUSA-N 454.695 6.837 50 1 JKGF endogenous,in-man CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325271 DBXCOYJBPRPODP-LBWWVAKVSA-N 467.924 5.222 50 1 JKGF O=C1CCCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 587325736 GXIAVEYQAPJDRI-AZGAKELHSA-N 465.908 5.299 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)O2 587381999 JWMURGMLTIDVFG-IVCQMTBJSA-N 474.935 6.074 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OC=C2OCc1ccccc1 587548843 YDZKWLUPDLOLDA-OZXSUGGESA-N 462.885 5.304 50 1 JKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21NCCc2cccc(Cl)c21 963391429 SVZSZEXDTCATHE-ZJWNCGCPSA-N 485.798 5.541 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1ccc(Cl)cc1Br 963602660 AMCKBDKNWHFDEY-JEOXALJRSA-N 489.635 5.292 50 1 JKGF CC(=CCC[C@]1(C)[C@H](C)CCC(=C(C)C=O)[C@@H]1CCCO)CCC=C(C)C[C@H](O)[C@H]1OC1(C)C 2356519948 SZBACOZLVMVKCH-OROGXDDESA-N 474.726 6.708 50 1 JKGF CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 2356745945 GDOXPOQXTZCSGF-FOWUDOCBSA-N 491.200 9.247 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)[C@@H](C)Cl 35246478 GNLMRVPBBDXJBL-IQGLISFBSA-N 484.427 5.823 50 1 JKGF in-vivo CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 49068081 WZPGEXOTYOVAPL-JQJCMXQBSA-N 456.590 5.948 50 1 JKGF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027124 PPERWAOBQWZMAY-JVPBZIDWSA-N 491.551 7.357 50 1 JKGF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587196450 VRVDRTHHRYKBKM-UHFFFAOYSA-N 463.472 7.567 50 1 JKGF CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417778 QBFZSQAWIUWOEK-GRFCFPJTSA-N 496.818 5.634 50 1 JKGF O=C1C[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 587497856 LGNJYUBAQJHRKK-SSEXGKCCSA-N 486.011 6.258 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 587671377 RFWGMWGUDAWKGX-ZNLKAECVSA-N 467.220 5.638 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br 587673135 KNTDRPJQNNNUHQ-HNHYXYPQSA-N 498.072 5.809 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C 587688691 NDTBAGTUXZNUTE-SAHAZLINSA-N 483.809 5.145 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3sccc3c2)N1 587856850 JDCCFKGWINLHGR-WYRIXSBYSA-N 469.217 5.976 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)c1ccc(CBr)cc1 961750734 PKKLDKZBTLSTSX-VWLOTQADSA-N 471.439 5.996 50 1 JKGF C=C(C=CC=C(CC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)C 2356558763 LCTUPPDJKLEUIE-LIIQBVBMSA-N 484.721 6.388 50 1 JKGF Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2C[C@H]([C@H](C)Br)CC[C@@H]32)cc1 31899084 YKPCSYZUBGHCIJ-IXFSTUDKSA-N 487.463 5.279 50 1 JKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@](=O)c2ccccc2)=N1 34802441 KMIWFCOEGVYEOS-RLGYRFERSA-N 488.531 6.044 50 1 JKGF CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)C(C)(C)C 113477482 ZAHWMBSUAQSWKN-OOAXWGSJSA-N 499.603 5.291 50 1 JKGF CCCCC1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 586888413 IUEWUHAEGYQZSO-UHFFFAOYSA-N 461.338 8.447 50 1 JKGF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587068745 CXMOLSKIQAQJCC-JTQLQIEISA-N 490.723 6.921 50 1 JKGF COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587320063 DNBJUOBOSRALRP-GGAORHGYSA-N 457.295 5.189 50 1 JKGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325268 DBXCOYJBPRPODP-BZBXLLDXSA-N 467.924 5.222 50 1 JKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587537366 DLXIHVFCZORURF-DHLKQENFSA-N 491.341 5.138 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1F 587557915 PUGXSAIWFHADQT-DENIHFKCSA-N 477.713 5.780 50 1 JKGF O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625188 DPRHFROJJXJKSC-UHFFFAOYSA-N 460.761 5.741 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 587674207 UQRWIKSKQVJCGP-FPOACIOASA-N 475.284 6.731 50 1 JKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587685778 AZZBJTCEIHIHHU-OWJWWREXSA-N 475.833 6.321 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 587724287 GQDJULKNWSKPRZ-TWOIEQCOSA-N 493.617 6.136 50 1 JKGF FC(F)(F)Oc1cccc([C@@]2(CBr)NC3(CC3)Cc3ccc(Br)cc32)c1 961618308 ZRCRLQPQTNZWFR-GOSISDBHSA-N 491.145 5.665 50 1 JKGF CC(=O)c1ccc2c(c1)[C@](CCCCl)(c1ccccc1F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626519 KDPHRNTZILJDHS-NVQXNPDNSA-N 489.971 5.537 50 1 JKGF CC[C@H]1Oc2cc(oc(=O)c2Br)CCCCC#CCC=CCC=CC[C@H]1Br 2356501973 SMHFILGKUYWOFT-RTBURBONSA-N 498.255 6.336 50 1 JKGF CC(=O)O[C@@H]1C(C)=C2CC[C@](C)(Cl)[C@H](Br)C[C@]2(C)[C@@H](C)[C@@H]1Br 2356503538 LCWJRZIFKUXWLD-CHXCLDMJSA-N 456.646 5.599 50 1 JKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCC#N)C(CSc2ccccc2)=N1 34802454 KBPBKMZWJOVVSN-KXZZPGAFSA-N 483.515 6.533 50 1 JKGF O=C(NCc1ccc(Cl)cc1Cl)C1CCN(P(c2ccccc2)c2ccccc2)CC1 44418240 XXXZZCMLLVNDAT-UHFFFAOYSA-N 471.368 5.370 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 587324967 VXKBFBXJOKEAPR-GGAORHGYSA-N 475.741 5.873 50 1 JKGF Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCBr)cc1 587620744 GDXTWOFIZZSKCV-UHFFFAOYSA-N 453.565 6.065 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669199 BHJGHIJZLJBXRG-CLUVUEOHSA-N 457.181 5.158 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587683778 IBKVQOMRDMOPEA-FATZIPQQSA-N 494.788 5.537 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 587711827 INVXIIZMUDFZNM-QGHHPUGFSA-N 481.125 5.780 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 587713620 TWAIJXRESFNLQB-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF Nc1c(C(=O)NN=Cc2ccc(Cl)cc2)oc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c12 957611443 DLPYAWIHMDBFNY-UHFFFAOYSA-N 491.334 6.408 50 1 JKGF CCCCCCCCCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911577799 BBAVCRVXXXLYKF-UHFFFAOYSA-O 489.704 9.262 50 1 JKGF CC(=O)Nc1ccc2[nH]c(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 29323131 ZAZVXCTXGWFSJK-LKUPDRCFSA-N 459.933 5.368 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2Cl 137893385 FGVMULFMQSTKJW-UAGBHOFDSA-N 459.070 7.133 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587433322 QLGURFCAPGEKBQ-ZITMISKDSA-N 490.559 5.014 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540389 ODXNXNZXDGCKRH-MCVWCKRISA-N 459.723 5.639 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccccc3F)c2c1 587619076 BAGURUPXITVMGW-UHFFFAOYSA-N 489.912 5.430 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1([C@H](Cl)C(=O)c1ccc(F)cc1)C(F)(F)F 962368356 AMOIYDUATGAKTE-NHCUHLMSSA-N 470.919 5.532 50 1 JKGF Cc1cc([C@@]2(CCCCCl)NCCc3cc(-c4ccccc4)ccc32)ccc1Br 962675691 YBMNZSVYSIAUOG-AREMUKBSSA-N 468.866 7.223 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)c3ccsc3CCN2Cc2ccco2)c1 962705877 FXMNGXBQZSRLRQ-UPVQGACJSA-N 487.463 6.021 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)c2ccc(F)cc2C[C@H]2CCCN21 963117921 ZPTQBGBJPCPTKF-RNWIMVQKSA-N 477.023 6.342 50 1 JKGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@]1([C@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857761780 IBELYMKETBKMMO-DLLPINGYSA-N 479.543 5.324 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](OC=O)C(C)(C)[C@H]1C[C@H]3O 2356324147 GYBAQGGQWHOTNZ-RNMALOCSSA-N 498.704 5.989 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)OO 2356497201 DYSGKRAFNMJFSM-IBQKTROISA-N 472.710 7.126 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C)OO 2356620999 KZGHWXGDVVHWOC-KEKXUZKISA-N 474.726 7.206 50 1 JKGF Fc1cccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)c1 96272525 PRPKQKSKLFXCNB-SFHVURJKSA-N 460.738 5.320 50 1 JKGF CCc1ccc(C(=O)N(SOCCOC)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103214438 AZZXENAPJFVNPT-UHFFFAOYSA-N 458.624 5.390 50 1 JKGF Cc1ccc2c3c(cc([C@@H](Br)Cc4ccc(F)cc4F)nc13)-c1ccccc1C2=O 586995463 KZSQGVVUWAPYDL-FQEVSTJZSA-N 464.309 6.712 50 1 JKGF O=C(/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1 587244260 MWFOMKJZBTUSSB-SREVYHEPSA-N 468.245 6.635 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587333043 UWYATZGUUVGEQK-IFMALSPDSA-N 450.815 6.043 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587684045 JTJSZISXZNCTIB-MCMMXHMISA-N 467.810 5.589 50 1 JKGF O=C(CCc1ccccc1)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587953704 QXGBGPJTWBWTEM-UHFFFAOYSA-N 455.246 6.798 50 1 JKGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 1772584324 FUAOULOCZVYLFY-FSJBWODESA-N 469.979 5.438 50 1 JKGF Cc1cc(NNC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)[nH]nc3c2)nc(C)n1 1772586290 OWQKAFZQDBELPP-ACCUITESSA-N 476.544 5.036 50 1 JKGF CCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(C(=O)c3ccc(OC)cc3)oc12 1857640919 QJTIGMMSMYJMJF-VWLOTQADSA-N 496.563 5.686 50 1 JKGF CCCC[C@H]1C[C@@H]1[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)[C@](CO)(c2ccccc2)CC12CC2 8019456 KTEAHLTXFFPKCF-FMQHXAFDSA-N 499.635 6.484 50 1 JKGF CO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 95913864 DIEFFKCJCDUOGU-LEOLPFTFSA-N 462.583 5.097 50 1 JKGF biogenic,in-vitro Clc1ccc2c(N[C@H]3CC[C@H](NC4CCC5(CC4)OCC4(CCCC4)OO5)CC3)ccnc2c1 102810968 ULRNSSMTZXHVGG-GBLNYILKSA-N 486.056 6.131 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320873 HLRPXHJFGBLHBX-FIXSFTCYSA-N 489.768 6.613 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327027 ODZZZSIHRYVVJR-BDYUSTAISA-N 481.951 6.009 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537121 ATVMUADTHMTTJC-LREARKGRSA-N 467.359 6.156 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Cl)cc2c1=O 587542001 HFKDMNFDOYDCJF-DVECYGJZSA-N 469.276 5.594 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587683487 HJJJQRBEZRYHTN-NIYFSFCBSA-N 494.920 7.898 50 1 JKGF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl 587684554 LBBJQTREAUFLSL-ASSNKEHSSA-N 456.783 5.402 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711584 LCNJIAIGONKFAH-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 587856705 YYQWQYSXHFNQGF-CZCWKNBQSA-N 486.410 5.325 50 1 JKGF COc1ccc2c(c1OC)[C@](CCCCCCCl)(c1cccc(Br)c1)N(C)[C@@H](C)C2 962640624 WXEREAATLHKOLF-BVZFJXPGSA-N 494.901 6.776 50 1 JKGF COc1cc2c(cc1OC)[C@]1([C@@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683442 YLDVIHVCEFOCFZ-WIOPSUGQSA-N 495.969 6.434 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1cc(OC)c(OC)cc1Br 963229162 NHBMKFWWUANBHL-OYHNWAKOSA-N 497.271 5.761 50 1 JKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccccc3)O2)cc1O 1772605478 HZLJTROGPKFEDS-MHZLTWQESA-N 459.498 5.025 50 1 JKGF Cc1ccc2nc(C(C#N)=Cc3cn(Cc4ccc(Cl)cc4Cl)nc3-c3ccccc3)[nH]c2c1 1857619290 DLEWNEFXUQNUJL-UHFFFAOYSA-N 484.390 7.154 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OO 2356346701 WUTWJINSEQBSKE-YMENTYCSSA-N 474.726 6.774 50 1 JKGF CC(C)=CCCC(C)=CC[C@]1(C)[C@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 2356796825 NNOODFWZCDRSHA-NOOIUNMQSA-N 473.451 7.119 50 1 JKGF C/C(=N\OCCCCCBr)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 28815792 DGIGJYRBTHWNLM-RDPMEOHHSA-N 478.515 6.804 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(Cl)cc1)OO2 64454321 NTYWCVJPGHXUIH-ZATZZNNRSA-N 486.011 7.963 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@H]3c2ccc(F)cc2)cc1 299847808 RQWDXQLIDQZPMV-QORCZRPOSA-N 460.528 5.135 50 1 JKGF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587000582 RBTOIOOYSPUMLZ-UHFFFAOYSA-N 483.212 6.462 50 1 JKGF Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)c1 587140876 HQTLSGLUOBSWJO-UHFFFAOYSA-N 478.458 8.458 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587331180 IUPSGCOHZQQIIY-IRLDBZIGSA-N 463.249 5.459 50 1 JKGF CCCCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539445 WJMKBKIDFUSJCR-OZXSUGGESA-N 481.386 6.377 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)cc2F)N1 587722652 ZJVFXEFITRODPB-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cc(F)ccc1Br)N(C)[C@@H](C)C2 962615937 APELDSXCXVTLGM-YUNKPMOVSA-N 487.207 5.120 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962626942 DPEUKPBDITXIKC-AUSIDOKSSA-N 469.931 5.789 50 1 JKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CCCCCCl)(c2ccc(C(F)(F)F)cc2)N1 963238740 WFPUUQGEOOQTBR-UPVQGACJSA-N 476.926 5.895 50 1 JKGF COc1ccc(C2=C(C#N)C[C@@](c3ccc(OC)c(O)c3)(c3cc(OC)c(OC)c(OC)c3)O2)cc1 1772602520 JVIRUZRRJPIWML-MUUNZHRXSA-N 489.524 5.034 50 1 JKGF O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc([S@@](=O)c2ccc(O)cc2)cc1 1857649453 AEVACEZQFUWZJX-GDLZYMKVSA-N 463.449 6.469 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 13834911 CIYXVIQBEAQCQV-XWQPDNGASA-N 477.689 6.967 50 1 JKGF O=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 40401488 ZRHNHXBXGDODQB-QXBNKWALSA-N 471.358 5.326 50 1 JKGF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587062788 WBRTWITVTHHCMS-CYBMUJFWSA-N 491.707 8.166 50 1 JKGF CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320302 FGSBJUCYMOMCPC-VWNXMTODSA-N 484.321 5.139 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325777 ZEUOMMSOISDBTO-IRPSRAIASA-N 498.893 5.757 50 1 JKGF COCCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587326301 KNDBBWPKVHQFAG-AOYPEHQESA-N 471.956 5.479 50 1 JKGF CSc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587377615 SIRBCJYQVTYQJK-FYYLOGMGSA-N 473.363 5.903 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538902 SBEIURLQOAOQJB-AWCXEYNZSA-N 481.386 6.330 50 1 JKGF CCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674468 WUYZXFHPGASJDZ-HXPMCKFVSA-N 457.181 5.160 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br 587676604 HRUUOCQVOAGTNR-BUXKBTBVSA-N 475.627 5.984 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587687258 ZMPCBUBQYKUFIV-CMJOXMDJSA-N 460.774 6.397 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)[C@H](CC(C)C)NC(=O)OCc1ccccc1 963607709 KDGSYAIPBNLAHA-KXVHNFKESA-N 475.029 5.013 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356434857 GXIUUQNLOQDGBR-TVEGIFKMSA-N 474.726 6.774 50 1 JKGF CC(C)=CCC[C@H](C)C=C[C@H](O)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356680273 BIXXDPOEXJMBRN-LQCDUWKQSA-N 474.726 6.468 50 1 JKGF CO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40685655 KESSVMVGVYXMGU-MROKHOLKSA-N 460.477 5.265 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933829 VNFCSRBAXUFONQ-UMALJDHNSA-N 477.649 5.753 50 1 JKGF O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1 103177976 BBMSJKYTNXWHMR-AQLQTECXSA-N 492.888 6.819 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322229 LTDSEOHUJSYAQW-DFTDMARZSA-N 475.741 6.223 50 1 JKGF O=C(CCl)Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587496943 GYDKOZXQUREPSA-MUUNZHRXSA-N 471.940 5.196 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587511084 ZZHLHFMTDVJVAA-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537795 KIVUTHNQVBIGSU-PXDATVDWSA-N 492.325 5.608 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587681766 ANKHYHRXTMVHFQ-NPMXOYFQSA-N 477.805 5.444 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587715192 WXHUOGVLWZRCMF-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963170204 ISHNFZRFLMMERW-DNPYPDJRSA-N 497.138 5.591 50 1 JKGF Cc1cc(-c2cc(C(F)(F)F)cc([C@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)ccn1 1772643308 MYCRCDCYQMXGDJ-HSZRJFAPSA-N 453.468 5.136 50 1 JKGF O=[N+]([O-])c1cccc2c1ccn2CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857537568 WINFBKNLKSLSNV-UHFFFAOYSA-N 465.513 5.934 50 1 JKGF CC[C@@H]1O[C@@H]2C[C@H](Cl)[C@H](Cl)C[C@H](C=C=CBr)O[C@H]2C[C@@H]1Br 2356493717 DLWCNRZNBKQLBS-KTDIBAQRSA-N 463.037 5.144 50 1 JKGF CC(C)=CCCC(C)=CCC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 2356648944 UWOQPCLHJDMFFV-NIYJGHKDSA-N 487.478 7.509 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@@]12C)OO4 2356667430 MBNPUBINSDBIMB-YHMCWMGRSA-N 454.695 6.864 50 1 JKGF BrCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 136130194 IJBUDSURGOEIAI-UHFFFAOYSA-N 482.466 7.496 50 1 JKGF CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4ccc(F)cc4)C(=O)O[C@@H]3[C@H]21 206972348 RXPQTMRTZAHSPB-YHXFCYGRSA-N 456.674 7.052 50 1 JKGF COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl 587325959 ILVDPZSDUONQEN-NOZRDPDXSA-N 456.897 5.562 50 1 JKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1OC 587372983 OPXBPLIJESNJRE-HHHXNRCGSA-N 483.008 5.355 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(OCc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587415593 VGSRLSHOXYMZFO-XRWSKCOISA-N 479.370 5.701 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1Br 587541366 UBFMZEHFSGOHOU-OXJNMPFZSA-N 481.129 5.299 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587550434 AWLSJZXIYDKWKT-AUSIDOKSSA-N 452.249 5.356 50 1 JKGF CCCCCCCCc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCl)cc1 587621854 LZYQSFZSSGQREQ-UHFFFAOYSA-N 472.858 8.116 50 1 JKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587852940 JQIICOVUPBXCPJ-BIBXISHDSA-N 483.244 6.284 50 1 JKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(C2CCC2)N1C(=O)c1ccc(Cl)cc1 963020978 ODXRDEBRZIDQDQ-GBXCKJPGSA-N 457.357 5.207 50 1 JKGF C=C(C=CC=C(CC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)C 2356558762 LCTUPPDJKLEUIE-JZVHMONDSA-N 484.721 6.388 50 1 JKGF CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 2694746 BCTLYECAFDDCDI-RUZDIDTESA-N 457.599 6.199 50 1 JKGF Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101761704 VYPYUHDFKSSIRW-GFMRDNFCSA-N 494.938 6.390 50 1 JKGF CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C\CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 103582276 KVTCHSWVSFQOTP-PNEBWSNESA-N 474.726 6.612 50 1 JKGF biogenic,in-vitro Clc1ccc2c(N[C@H]3CC[C@H](NC4CCC5(CC4)OCC4(CCCC4)OO5)CC3)ccnc2c1 254013581 ULRNSSMTZXHVGG-XZQRCQHGSA-N 486.056 6.131 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587323699 MKTCQXDOGMHJPT-OGEURKDJSA-N 489.974 6.821 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1 587538123 NSAIKEWTJJNLJJ-NQIIRXRSSA-N 490.147 5.407 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587673080 KAOYGKVKIUFTLW-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 587681758 AMAYOTBGUYSINS-ODCWNRFASA-N 483.812 6.753 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689775 WAMLOGOUGXJHAO-IVCQMTBJSA-N 489.860 6.629 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 587737332 XCLRGCVDBHYGDK-JBEBIEQOSA-N 493.823 6.211 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2nc3ccccc3s2)N1 587857482 KKOPQCVGEYFSDX-YPMLDQLKSA-N 470.205 5.371 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)N2Cc3ccccc3C2)cc(C(F)(F)F)c1 1857650372 HIEVJERUYCAHJM-UHFFFAOYSA-N 452.904 5.479 50 1 JKGF CCCCCCN(CCCCCC)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641769 SXBFBZHTBWRJAE-UHFFFAOYSA-N 489.748 7.810 50 1 JKGF CCCCSSN(C(=O)c1cccc(OC)c1C)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103209029 JGJMRVJALVKEJZ-UHFFFAOYSA-N 488.719 7.015 50 1 JKGF COc1ccc(N[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@]53OO4)cc1 137070597 AWDHRXBPSMEKSE-VSLNVUDNSA-N 457.489 5.248 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057235 UTMMBFLIUUGNHQ-AUWJEWJLSA-N 486.746 6.903 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057764 WQFXGNSJQMURMW-AUWJEWJLSA-N 487.188 6.499 50 1 JKGF Cc1ccc2c3c(c(CCCl)c(-c4ccc(Br)s4)nc13)-c1ccccc1C2=O 587100998 BINMDFQYKXRAIL-UHFFFAOYSA-N 468.803 7.027 50 1 JKGF CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587322642 HUUDUKDFIXAFMQ-IWIQFXGASA-N 455.913 5.561 50 1 JKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3C1=N2 587387441 PYZBTWAQRDZKGL-PMERELPUSA-N 490.563 5.589 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N=Nc3ccccc3)cc1)CC2=O 587456300 MPUYNOCIVZJSNU-RUZDIDTESA-N 479.374 7.016 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)CC2=O 587462106 PIAFOSKJXDLEHA-IBGZPJMESA-N 479.239 5.897 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552658 BOLOVBSVVGREGU-ZRCGQRJVSA-N 491.740 5.911 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 587568182 DMRFLTXFAHQCHH-VAVYLYDRSA-N 499.925 6.776 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccc(F)cc3)c2c1 587620835 HJKATBBINITMEL-UHFFFAOYSA-N 489.912 5.430 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(F)c(F)c2Br)N1 962960041 VTAYIUSHLNYCDS-PRWKNARSSA-N 484.182 5.771 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1sc2nc(C)cc(C)c2c1NC(=O)CCl 963238191 HZKXYKUHTDNSQC-NSYGIPOTSA-N 456.055 6.011 50 1 JKGF C=C(C)[C@H](CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12)OO 2356575266 HASDXLPYERWHOW-ILQIJZGBSA-N 484.677 6.527 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356586426 ZLFOHASQVSADOU-AFWDCEBSSA-N 495.443 6.391 50 1 JKGF CC(C)=CCCC(C)=C[C@@H]1C=C(CO)[C@@H]2CC[C@@]3([C@H]2O1)[C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O 2356859987 UAIWZHQILBAHGX-OGQBQJGTSA-N 486.693 5.211 50 1 JKGF COc1ccc2cc([C@@H](C)C(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)ccc2c1 96914014 XRGYARAACFTFCG-TWKFLARCSA-N 489.011 7.176 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccccc5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916465 IZZWWAJJLVNMIE-KLBOWCDTSA-N 484.640 5.880 50 1 JKGF C/C(=C\CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@H]1C)CC/C=C(\C)C[C@@H](O)[C@H]1OC1(C)C 103553808 SZBACOZLVMVKCH-QPHXVDSHSA-N 474.726 6.708 50 1 JKGF biogenic,in-vitro CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC(F)(F)F)c1)CC2=O 587464243 MEURXANSIWUWJC-LJQANCHMSA-N 459.258 5.499 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2cc(Cl)ccc2o1 587538071 MYOALEVGPAGWCM-NZQKXSOJSA-N 485.717 6.044 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl 587546823 YAFYCZNZJAOVNM-UWJYYQICSA-N 470.135 6.360 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672344 ZZBJCCPYULDDJX-ZBUHCNDUSA-N 487.207 5.167 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587728164 DFIIEOCFJPQMRK-JCQPUDPBSA-N 479.796 6.151 50 1 JKGF O=C(O)c1cccc2c1CCNC21[C@H](Br)CCCCCCCCC[C@H]1Br 963121031 IOBLNAUVBODBHN-RTBURBONSA-N 487.276 5.777 50 1 JKGF BrCCCCc1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1 1772621180 QDDRTLKHRFMVCQ-UHFFFAOYSA-N 465.528 8.651 50 1 JKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CSSC1 1857597264 CNTYSAQKPONNER-UHFFFAOYSA-N 488.997 5.413 50 1 JKGF C=C(C)[C@H](CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 2356448926 UWIHHQICCZWZDL-ZUHQVNFHSA-N 492.741 5.969 50 1 JKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12)OO 2356675225 LQPSEQWINGOYLK-IYVZBGEQSA-N 484.677 6.527 50 1 JKGF COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br 587319201 AQCBNDAOPDICFZ-JTHBVZDNSA-N 491.740 5.796 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 587320693 GVJXQSSOYNVJFI-RBBKRZOGSA-N 496.159 6.487 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)CC2=O 587463436 AHFLXOUZLVQYDU-RUZDIDTESA-N 491.937 6.871 50 1 JKGF O=C1C[C@](CBr)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 587506926 QYJJIBVABMOMPP-FQEVSTJZSA-N 468.160 5.723 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587546269 VKVJBVPSQBUEII-FPWIQGANSA-N 477.944 5.936 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC3)N1 587673795 PZTZJSAWWSBEOB-ODXCJYRJSA-N 453.193 5.250 50 1 JKGF COc1ccc(C)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674355 WIIHIPUACZVHKG-BLVKFPJESA-N 457.181 5.078 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br 587676605 HRUUOCQVOAGTNR-CWTRNNRKSA-N 475.627 5.984 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587685069 NMZVNKICVAVGFR-QKFKETGDSA-N 489.772 6.180 50 1 JKGF Cc1cc2c(cc1F)[C@](C)(c1cc(OCc3ccccc3)cc(NC(=O)CCl)c1O)NCC2 962304340 ZOKKUWBMVVXJIX-AREMUKBSSA-N 468.956 5.005 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(OC(F)F)cc2)NCCc2cccc(-c3ccccc3)c21 962671195 STTKQPSTQVZASM-UPCLLVRISA-N 458.346 6.128 50 1 JKGF CC(C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356780297 SAHIKVQGOJYFEX-BSLQLIBWSA-N 470.738 7.353 50 1 JKGF COc1cc(/C=N/NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc(OC)c1OC 29123271 PPJWVHRMYYFDOT-MZJWZYIUSA-N 488.371 5.456 50 1 JKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 58622066 YCWNSSLCHYTWSQ-OZTOYSSASA-N 478.557 5.045 50 1 JKGF CCCCOc1ccc2c(=O)c(-c3ccc(OC)c(N(CCCl)CCCl)c3)coc2c1 84655442 RSBQWMFUZLWMQB-UHFFFAOYSA-N 464.389 5.932 50 1 JKGF COc1c(C)c(C/C=C(\C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c(OC)c2ccccc12 195353739 CNMWDIWBIUHHAI-HKOYGPOVSA-N 484.797 9.017 50 1 JKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1 299836770 NUWXJXQYBNXJBM-RUZDIDTESA-N 482.536 5.407 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)O2 587370896 CPVBLPSWVMQLAY-RUZDIDTESA-N 456.424 6.182 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1)CC2=O 587459543 CZQLPCLPEYDKKK-IBGZPJMESA-N 461.249 5.758 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(Cl)c3)c1C)CC2=O 587460428 MQAJFNBRSLPMRO-RUZDIDTESA-N 458.385 6.505 50 1 JKGF COc1ccc2cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl 587685226 OOOXWISGOUBQPN-AMXDTQDGSA-N 483.208 6.420 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685934 SDPCHPUDHRNPSR-ASSNKEHSSA-N 453.783 5.199 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587686949 DQKBYDUJLNTMFD-NPMABZOXSA-N 496.251 6.666 50 1 JKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1cccc(OC(F)F)c1 962395543 DHQHIRQUJBVLPK-OAQYLSRUSA-N 467.379 5.385 50 1 JKGF Cc1cc([C@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)n1-c1nccs1 963192082 QAJYIGAWODMZNT-BDYUSTAISA-N 473.045 6.156 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cc(F)ccc1O 963197567 SVGIXTFDJQLCMP-VWNXMTODSA-N 451.339 5.293 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@@]12C 2356447762 CQYCAQYQKRBNHY-OLYFDKBKSA-N 452.679 6.613 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 2356745946 GDOXPOQXTZCSGF-KEZVAYIUSA-N 491.200 9.247 50 1 JKGF Cn1c(N)nc(-c2ccc(Cl)cc2)c1SSc1c(-c2ccc(Cl)cc2)nc(N)n1C 1636751 BJUAZZBZQITOLC-UHFFFAOYSA-N 477.446 5.758 50 1 JKGF CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@@H]1c1ccc(Cl)cc1)O[C@H]3c1ccccc1 96934496 LNSNEALHJNLODO-DYCBMTEISA-N 483.948 5.663 50 1 JKGF CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102773785 GQHJCAZJUPPGEC-VWLOTQADSA-N 474.626 7.243 50 1 JKGF C/C(=C\CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO 144301180 ADDJEJWGIYLORW-WSUVHYCQSA-N 497.415 5.055 50 1 JKGF C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1ccc(=O)[nH]c1=O 195475177 ZUYKHQFLMLDXJZ-JYAXBFRTSA-N 496.797 5.039 50 1 JKGF CCCCCCCCCCCC(=O)NNC(=O)[C@H]1Sc2ccccc2N(Cc2ccccc2)C1=O 299838315 QCEODKGDWMHPLW-AREMUKBSSA-N 495.689 5.762 50 1 JKGF CC(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 587330009 ZMXOMZXQGDNANZ-IXCJQBJRSA-N 466.980 7.271 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4ccc(OC)c(OC)c4)c1C)[C@@H](C2)C3=O 587417064 IYPBWEDBFNUKFS-RBISFHTESA-N 496.003 5.255 50 1 JKGF COc1cc2c3c(c1)O[C@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O 587423794 WCXDPBQDWWTLHT-PISWEHOVSA-N 474.384 5.002 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)CC2=O 587456054 JLQSIDMJHRCMIX-QKVFXAPYSA-N 453.760 5.651 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587725185 CAAAOTRSYUOTBV-NPMABZOXSA-N 479.796 6.151 50 1 JKGF O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@H]1CC=C[C@@H]31 653840614 LINVDAPEIYDTLW-NNCOKRNASA-N 482.989 5.413 50 1 JKGF COc1ccc2c(c1OC)[C@]1(CCCC[C@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962721890 XVEHRXNYCPYVRG-AUSIDOKSSA-N 467.915 5.798 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCl)(c2nc3ccccc3s2)N1 963172057 CIYARKQYUDAXHR-RDTXWAMCSA-N 461.292 5.050 50 1 JKGF COc1ccc(COc2cccc(/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)c2)cc1 1857636517 XGNFPTKFVZDASD-WKULSOCRSA-N 450.498 5.068 50 1 JKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356367767 DVNUPPNHQFGMGA-GZZOYEKPSA-N 491.767 5.053 50 1 JKGF CC(=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO 2356709908 ADDJEJWGIYLORW-BTZRARBUSA-N 497.415 5.055 50 1 JKGF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CN(CCCl)CCCl)C[C@H]21 29234857 DSJLYWOVMISFMW-LEWJYISDSA-N 454.482 6.496 50 1 JKGF CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@@H]1c1ccc(Cl)cc1)O[C@@H]3c1ccccc1 96934494 LNSNEALHJNLODO-ZEZQGNGESA-N 483.948 5.663 50 1 JKGF Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98084012 GGJDQCUZFUGHFG-RUZDIDTESA-N 465.553 6.095 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3cccc(Cl)c3F)nc3cccc1c23 587103666 MTZJJQSXLODSNV-SFHVURJKSA-N 466.737 6.917 50 1 JKGF COc1ccc2c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 587327357 PKHSGWIQSPMACC-ZCYQVOJMSA-N 451.881 5.514 50 1 JKGF COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O 587333269 MYNVPHQLFDOIIH-GGAORHGYSA-N 491.284 5.034 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)O2 587372911 NRXIDTAOFVHWBZ-RPLLCQBOSA-N 478.976 5.058 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(F)cc1 587510150 UYKABDLGRUXRBF-NDEPHWFRSA-N 465.996 6.465 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2cc(Cl)ccc2o1 587538070 MYOALEVGPAGWCM-NFBKMPQASA-N 485.717 6.044 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1[C@@H](C)c1ccccc1 587546892 YTCHSGDAWFJXBI-IFVHXUSFSA-N 487.983 6.516 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2coc3ccccc23)N1 587673771 PVGCAJKVXITQEY-WLRWDXFRSA-N 453.149 5.507 50 1 JKGF CCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674466 WUYZXFHPGASJDZ-BUXKBTBVSA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 587674596 XXCYZLPPNHHSCO-HXPMCKFVSA-N 475.627 6.195 50 1 JKGF Fc1cc(C(F)(F)F)cc([C@@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962715095 SMOVAMWZGNMSNN-JXFKEZNVSA-N 492.351 5.986 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(CCCCCCCl)c1cccc(C(F)(F)F)c1 963290091 SVIIAFAMUBBTRL-JOCHJYFZSA-N 488.819 7.389 50 1 JKGF O=C(N/N=C/c1c(-c2cc3ccccc3oc2=O)[nH]c2ccccc12)c1ccc(Cl)cc1F 1772627177 PGIYMQROUKHFSK-XODNFHPESA-N 459.864 5.498 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](OC=O)C(C)(C)[C@@H]1CC3=O 2356765525 YIPMXAHKTHCEPU-ABBRQVSLSA-N 482.705 7.018 50 1 JKGF COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(O)c3c2=O)OC(C)(C)[C@H]2OO[C@@H]42)cc1 198009201 PULXUOQXDRDPJR-DQEYMECFSA-N 450.487 5.225 50 1 JKGF C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(/C)C=O)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)O)[C@@H]12 238781391 YLQIANWVVVMWMO-KKXIDJIBSA-N 482.661 6.123 50 1 JKGF Cc1ccc(COc2ccc(/C=N/NC(=O)Nc3nc4ccc(CN(C)C)cc4s3)c(O)c2)cc1 299823217 DZFZCXIDBIMIJH-MZJWZYIUSA-N 489.601 5.107 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058537 ZWHCGFMJTOMACJ-LICLKQGHSA-N 491.357 6.666 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)CC2=O 587457679 ANSYSTRSSGACSZ-HKBQPEDESA-N 496.990 7.300 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)CC2=O 587460665 OONFFMMDPYCXQB-HHHXNRCGSA-N 486.439 6.759 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)c(F)c1)CC2=O 587467447 SEKQTHGJPLFJNC-IBGZPJMESA-N 472.148 5.502 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587545228 QELCPWNWJCVMTN-NAKRPHOHSA-N 473.956 6.204 50 1 JKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587673873 RAPWDODPTVXXHX-BIBXISHDSA-N 467.176 5.816 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1 587690035 YXTYTQJPDFMWLG-BUTRMIIQSA-N 469.826 5.202 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2cc(CBr)ccc2c1 587876936 QNONJRXGGVBFTL-UHFFFAOYSA-N 475.213 5.946 50 1 JKGF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NNC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356385473 ZIESZGFVAHAKGT-KERRQBAVSA-N 467.742 7.464 50 1 JKGF CC(C)=CC[C@@]1(C)[C@H]2CC=C([C@@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br 2356801860 QXAUXPFZNRBTMA-RKCYMAHVSA-N 473.451 6.951 50 1 JKGF C[C@@H]1C(C#N)=C(SCCn2c(C(C)(C)C)nc3ccccc3c2=O)N=C2CC(C)(C)CC(O)=C21 22781964 QPFRIUNCSBANFJ-MRXNPFEDSA-N 476.646 5.885 50 1 JKGF C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C 28473149 VCQYJXWOTVAGQM-LOBPZQHBSA-N 484.721 6.054 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)nc(C#N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054338 FJCDPPLNUXNWOM-AUWJEWJLSA-N 467.747 6.262 50 1 JKGF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238538 DEOAVVUSKYVTRB-FQWGINHLSA-N 497.530 6.775 50 1 JKGF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587266212 ZDIRRZLRQOPHED-SNVBAGLBSA-N 481.399 6.480 50 1 JKGF COc1cccc(-c2c(CCBr)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587359688 FZCYFLYCAQSVRE-UHFFFAOYSA-N 476.345 7.400 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)O2 587382104 NWOJJDZLVYMVEO-QGZVFWFLSA-N 482.218 5.870 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(C(F)(F)F)c1F)CC2=O 587463377 YGPVELNNIJKLDS-LJQANCHMSA-N 461.249 5.758 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Cl)N1 587734789 VTZOGPMWEVGRLM-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 587844892 CNPWIQNJVOOROI-ODXCJYRJSA-N 496.243 5.884 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCCCl)(c2ccc(F)c(F)c2)N1 962915577 AMBQIDYECYAKHW-ZCYQVOJMSA-N 473.903 5.324 50 1 JKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]2(CBr)c1ccc(Cl)cc1 962948451 BDPNBKTWXWTIMB-HXUWFJFHSA-N 474.748 5.649 50 1 JKGF CC(=CCC[C@]1(C)CC[C@@H]([C@H](C)C(=O)OCc2ccccc2)OO1)CCC1=C(C)CCCC1(C)C 2356422731 UIDHZKHZBWBCMB-TYNHYDCYSA-N 482.705 8.269 50 1 JKGF CC[C@@H]1Oc2cc(oc(=O)c2Br)CCCCC#CCC=CCC=CC[C@@H]1Br 2356501971 SMHFILGKUYWOFT-OALUTQOASA-N 498.255 6.336 50 1 JKGF CCCCCCCCCCCCCCCCOC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 230886687 DDZWTAIRKULPRO-RUZDIDTESA-N 460.892 8.556 50 1 JKGF Cl[C@@H](Cn1ncc2c(NCc3ccccc3)nc(Cc3ccccc3)nc21)c1ccccc1 473136602 SMXZVGSOSOQCQG-DEOSSOPVSA-N 453.977 6.009 50 1 JKGF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263460 MXVUAZAXPWFGAU-FKTZTGRPSA-N 492.264 5.643 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccccc3)no2)[C@@H]1c1ccc(F)cc1 587323784 UHJVULAOWRCSSH-NOZRDPDXSA-N 494.316 5.836 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(CC)c1C 587326011 JDTLDWRWNLYRKS-RPLLCQBOSA-N 499.966 5.639 50 1 JKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587534287 YHQFOEULCRQXFP-MHZLTWQESA-N 466.046 6.794 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587672141 DAOOZTBRYOHEQG-RBHXEPJQSA-N 497.033 5.650 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587673138 KOHACUORGREWOD-RNODOKPDSA-N 455.209 5.884 50 1 JKGF Fc1cc(Br)ccc1[C@@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962662591 LDFBMAFKKHUADO-QFIPXVFZSA-N 475.199 6.039 50 1 JKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CBr)c1csc2ccccc12 962693226 ARPLWTUJOYKCLN-IVZQSRNASA-N 462.453 6.043 50 1 JKGF Fc1cc(Br)c(F)c([C@@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)c1 963117277 YEWJWVPGYJLWSB-YJYMSZOUSA-N 475.146 5.525 50 1 JKGF CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCCl)c(OC)cc34)ccc2s1 49802445 JPEMEPNJRRUADX-UHFFFAOYSA-N 471.966 5.781 50 1 JKGF C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)O 58590376 CFAGZVWUNVZOHJ-YVHASNINSA-N 460.639 6.352 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@H](C)Cl)CC2=O 587461137 XJMUXUBMVPVFQZ-QLXKLKPCSA-N 472.412 6.894 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccc2)cc1 587537334 CUIWUGDTTLTIFO-RPLLCQBOSA-N 487.349 6.311 50 1 JKGF N#C/C(=C\c1ccccc1Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885148 WXWRQDLLMHZRIB-HYARGMPZSA-N 479.794 6.421 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962626571 BWORVUMUAIFTOH-MVQDXTSDSA-N 459.077 6.602 50 1 JKGF Cc1c([C@@]2(CBr)c3ccsc3CCN2Cc2cccnc2)oc2ccccc12 962998800 QGSZCZSGNIQLMM-HSZRJFAPSA-N 453.405 5.895 50 1 JKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCl)CCCCl)nc(Cl)nc21 963929792 XJMSGKYUDMGGSP-OAQYLSRUSA-N 468.816 5.282 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(-c4cccc5ccccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43426960 SJCYSZQOHYQIBP-UGTUEVKVSA-N 486.608 7.094 50 1 JKGF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCCCl 587328859 WEIIGXYCDJSKMQ-AZGAKELHSA-N 470.924 5.822 50 1 JKGF COc1ccc(Br)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497002 BHYZXYFMSAUIAQ-NRFANRHFSA-N 480.196 5.592 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2(c3ccccc3)CC2)N1 587672850 IMVUGHHGOFTGOK-RNODOKPDSA-N 453.193 5.444 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cn(C)c3ccccc23)N1 587673792 PZBNSSGNALVADV-YUNKPMOVSA-N 466.192 5.253 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587714636 WGODEHROOOYRML-HUTHGQBESA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2Cl)N1 587719567 LGEUWAFVYPCDTH-HUTHGQBESA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)c2nc(-c3ccccc3)cs2)N1 587854162 QHPNNWJMYXCSPF-GGRMYQCBSA-N 490.829 5.987 50 1 JKGF Cc1cnccc1-c1cc(C(F)(F)F)cc([C@]2(C(C)C)C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 1772604356 UMXPFKMNDHSAFK-HSZRJFAPSA-N 453.468 5.136 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356562323 UXUZTOWVOFDKQQ-FRXPANAUSA-N 456.711 7.417 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H](C#N)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103036668 XHCQQXDIZNDAGY-BVYPSSPTSA-N 478.383 5.238 50 1 JKGF CCO[P@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 169712593 OBGHHCYRUBRTRT-MGBGTMOVSA-N 460.430 5.061 50 1 JKGF CC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C 195525182 ULPUARIMGQKHOC-DNIGYFMASA-N 468.795 7.534 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586973120 FOIUMQWGNXWWAN-SECBINFHSA-N 462.107 6.391 50 1 JKGF C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322386 MAAFLCJFLQOEQZ-ISKFKSNPSA-N 484.321 5.139 50 1 JKGF O=C1CSc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 587373596 MGPLYYMBTTWLMO-UPVQGACJSA-N 469.921 5.069 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1Br)CC2=O 587455563 CUYIEPXXDJCHBD-IBGZPJMESA-N 454.158 5.363 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)ccc1F 587542558 AADFSAZXLGSSQV-NQIIRXRSSA-N 497.238 5.802 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccccc1 587542718 IJIMRKJKPHHFQY-PAUTXSKSSA-N 485.923 5.495 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587686361 UNFDKJSFFHEWFO-XMHCIUCPSA-N 460.778 5.738 50 1 JKGF C[C@H](Cl)C[C@@H](Cl)[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833530 WNUOZYIBLYMHEZ-RPFZEFQRSA-N 479.451 6.761 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC[C@]23O[C@]24C=C[C@@]25C[C@H](O)CC[C@@]2(C)[C@@]4(CC[C@]13C)OO5 2356369646 SQDFUUPQLYKOLN-STBPYBNCSA-N 456.667 6.139 50 1 JKGF OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(OCCN(CCCl)CCCl)c1 3961859 SRZKWNZALGFBCW-UHFFFAOYSA-N 484.427 5.782 50 1 JKGF in-vivo CCCCC/C=C/C/C=C/CCCC/C=C\N(NC(=O)COC)C(=O)CCCCCCCCC 83923020 PTGPQHFNNAPOOT-WIAZPGCXSA-N 476.746 7.790 50 1 JKGF in-vitro COc1ccc(-c2coc3cc(OCCC(C)C)ccc3c2=O)cc1N(CCCl)CCCl 84668594 PNKBWOXFSVXHJP-UHFFFAOYSA-N 478.416 6.178 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3nc(Br)c[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587055673 MCLFSXHJPICSCG-QPEQYQDCSA-N 488.176 5.846 50 1 JKGF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587228095 FNIXNIMTTUENSB-UHFFFAOYSA-N 464.416 5.719 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-c3ccccc3)cc1)CC2=O 587456967 UBDFJEZFFHUEPN-RUZDIDTESA-N 451.360 6.267 50 1 JKGF Cc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587497301 ITPNPMDMEPPPSX-CLYVBNDRSA-N 468.424 7.114 50 1 JKGF O=C(Nc1ccccc1)[C@H](Cl)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542702 IJIMRKJKPHHFQY-KHGZIGHDSA-N 485.923 5.495 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 587715365 CIAZDKQWKXQYSH-CXNNERTKSA-N 481.125 5.567 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc(Br)c(N=C=S)c(OC(F)(F)F)c1 587914570 JNYMBSQRPPFZBQ-UHFFFAOYSA-N 462.674 6.144 50 1 JKGF Cc1onc(-c2ccc(Cl)cc2Cl)c1[C@]1(CBr)NCCc2ccc(F)c(C)c21 962093566 PYEYCNDNTLBZHU-OAQYLSRUSA-N 484.196 6.189 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(C)n1-c1ccccc1 963223506 BFDLXUBBDBQNRW-STNVRERYSA-N 459.977 5.112 50 1 JKGF COc1ccc([C@@]2(CCCCCCl)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)cc1 963300321 CVMGVWFPZOKVTO-LJAQVGFWSA-N 482.039 6.944 50 1 JKGF FC(F)Oc1ccc([C@]2(CBr)NCCc3cccc(Cl)c32)c(OC(F)F)c1 963391295 SDCVILGOWSFAEU-SFHVURJKSA-N 468.672 5.327 50 1 JKGF c1ccc([C@@H]2C[C@H](c3ccccc3)c3cccc(P(c4ccccc4)c4ccccc4)c3N2)cc1 1857761534 GGIQHSJREFDAIO-JSOSNVBQSA-N 469.568 7.134 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)CC(C)=CCC1)C3=O 2356527851 JBVAFOMCWIFYSA-YWWLGCSWSA-N 479.400 5.619 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cccc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054285 DVTCTSDNFJMFMH-GDNBJRDFSA-N 451.313 6.040 50 1 JKGF O=C1CCCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 587325738 GXIAVEYQAPJDRI-RSXGOPAZSA-N 465.908 5.299 50 1 JKGF CCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325756 HAVYQEFNDCEHGY-ZCYQVOJMSA-N 453.897 5.373 50 1 JKGF Cc1c(C)c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C 587325877 HHDTWXWSVBDQSY-XNMGPUDCSA-N 452.953 6.567 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587339326 YUVGYXZOTFXVFO-KNQAVFIVSA-N 481.239 5.598 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587550436 AWLSJZXIYDKWKT-WMZHIEFXSA-N 452.249 5.356 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 587859875 YOKOBOFINIYDOG-FYYVMTAXSA-N 464.791 5.474 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)CBr)cc1 587891131 PBDXBLTXFSDOCH-UHFFFAOYSA-N 461.133 5.191 50 1 JKGF N#Cc1c(CCl)c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n2ccccc12 962958128 MWJMWHYYMUZCNV-OAQYLSRUSA-N 459.899 5.309 50 1 JKGF C[C@H](Br)[C@@]1(c2c[nH]c3ccccc23)c2ccsc2CCN1Cc1cccnc1 962995203 MNRCLGXMHAAOLQ-HJPURHCSSA-N 452.421 5.710 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)c2ccc(F)cc2C[C@H]2CCCN21 963117911 ZPTQBGBJPCPTKF-BTYSJIOQSA-N 477.023 6.342 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2c(F)cccc2F)cc(C(F)(F)F)c1 1857651804 OZDRRGKEORWHIN-UHFFFAOYSA-N 476.873 5.532 50 1 JKGF CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCCl)c(=O)c2cc1F 1911572323 WTSYRNAZXPASJF-JLHYYAGUSA-N 499.074 6.212 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 2356667183 KICRJBQYQISQJK-ZMTMDZEFSA-N 458.727 6.709 50 1 JKGF Cn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)/C(C#N)=C/C=C/c2ccccc2)c2ccccc21 71319042 LTIOOYQOSOPCBO-IRMYMQKMSA-N 498.546 5.092 50 1 JKGF CN1Cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2NC1=O 587328824 VYDSGEXXOAESPV-RDGATRHJSA-N 466.896 5.002 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(Cl)c1 587504160 HMVODJJDWMZELW-SANMLTNESA-N 472.387 6.865 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510789 YKNLUICDMSMTHD-HXUWFJFHSA-N 473.716 6.493 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccc2)cc1 587537335 CUIWUGDTTLTIFO-SHQCIBLASA-N 487.349 6.311 50 1 JKGF Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl 587558670 SUCDJSFWMVXVKS-KNQAVFIVSA-N 477.713 5.745 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587711305 JTYDNIDGEFKKGZ-XYZCENFISA-N 499.115 5.919 50 1 JKGF CSc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587844752 MDYUNJLASDJVRM-GIPWTMENSA-N 471.823 5.285 50 1 JKGF CCCCCCCCCCCCC=CN(NC(=O)COC)C(=O)CCCCCCCCC 2356452171 HZOWHYHEDAUGGZ-UHFFFAOYSA-N 452.724 7.458 50 1 JKGF CCCCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C 13474270 MDUGTPMCNLQBPJ-UHFFFAOYSA-N 451.785 5.842 50 1 JKGF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N2CCCCc1ccc(N=C=S)cc1 36177384 MIAOJBAWGZZMRM-NGSHPTGOSA-N 469.050 6.207 50 1 JKGF C=C1C(=O)O[C@H]2C[C@H]3[C@]4(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@@]34C[C@]4(CCC(=O)OC)[C@@H]12 103097081 FPFAZZFTBDKRJL-AWZAQAKTSA-N 496.688 6.212 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 587044088 YXBWKMBPYQJALC-CYBMUJFWSA-N 457.287 7.372 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054270 DOMXVTZVZAEJMS-VGOFMYFVSA-N 476.289 6.755 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)O2 587392433 ZIKPFGPRPXTUIP-PQHLKRTFSA-N 477.564 5.114 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 587505178 LGKGHHUDEIHGAJ-HXUWFJFHSA-N 468.160 5.723 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N=C=S)cc1 587614268 ROKUZRISOGEXGW-RPLLCQBOSA-N 451.503 6.032 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587673909 RJEFXNQZWYUIKM-BMLIUANNSA-N 454.141 5.703 50 1 JKGF Fc1cccc2c1[C@@](CBr)(c1ccc(Br)c(F)c1F)N1CCC[C@H]1C2 963108737 YBCCOEIWFQYPAX-HXPMCKFVSA-N 475.146 5.525 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@H]3c2ccc(Cl)cc2)cc1 299847768 QBXRMJNGTOCGLP-QORCZRPOSA-N 493.438 6.164 50 1 JKGF CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331977 QLDNDEXWSVLUCJ-XXXVWZSFSA-N 462.908 5.408 50 1 JKGF N#CSC[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377168 QSYZRNMOOODSLT-NQIIRXRSSA-N 490.375 5.824 50 1 JKGF CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417838 QBFZSQAWIUWOEK-VILGCMSXSA-N 496.818 5.634 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O 587420694 IIWCSDISAVMXDE-DFBJGRDBSA-N 468.336 5.217 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543053 INFDXQIDUGAMJX-HIYHBLTISA-N 499.950 5.863 50 1 JKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587689959 YCYOEQHJKLZIBW-DOLBFCBYSA-N 475.833 6.401 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587707813 XGICSASEGYCIRY-KAWXRDEMSA-N 464.684 5.105 50 1 JKGF CO[C@]12CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C1=CC1=C(C=O)[C@H]([C@@H](C)CCC=C(C)C(=O)O)CC[C@@]12C 2356541689 WTJIREHJYGENBE-UYQMAVSKSA-N 496.688 6.476 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccccc3-c3ccccc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 44069378 JFMXQDASGVDHDU-PYVPKZSRSA-N 478.629 6.416 50 1 JKGF CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 104010177 XGWVTPUCVOPVOF-QFIPXVFZSA-N 463.584 5.592 50 1 JKGF C=C1CCC(C)=CC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I 195236118 BWCWRUFCLLPMEZ-KNQAVFIVSA-N 482.522 8.047 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@H]4[C@H]([C@H](C)OO)CC[C@]4(C)CC[C@]23C)C1(C)C 255222602 KHDIRIGQBDNIRR-DJYCTIQOSA-N 488.753 7.898 50 1 JKGF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587266980 RBKHBMOZYOJPLI-AYVTZFPOSA-N 483.375 5.571 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587338592 XOIDDKVOXLXESK-GMAHTHKFSA-N 459.286 5.628 50 1 JKGF COc1cccc(-c2cc(-c3ccc(NC(=O)CCCl)cc3)nc3c2oc2ccccc23)c1 587358061 OFEQFZAKSCFWDX-UHFFFAOYSA-N 456.929 6.891 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 587544827 PBMGRHUDJBPTRF-NAKRPHOHSA-N 473.956 5.955 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCC(F)(F)CC1 587555993 MZQAGLJLUNUUEG-UWJYYQICSA-N 453.279 5.313 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCCCCl)c1ccc(C#N)cc1 961780608 WBGWCHBHCBDHGU-MUUNZHRXSA-N 480.052 6.362 50 1 JKGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1)c1ccc(F)cc1C(F)(F)F 1772629588 WBLAAOYAEKZCRC-GOTSBHOMSA-N 455.455 5.796 50 1 JKGF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356599728 KBSDBYDTKXUZDW-QWENWFQWSA-N 493.614 8.686 50 1 JKGF O=C(Cl)c1ccc(Oc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)cc1 587275417 AAPKLWIDIDWWPP-UHFFFAOYSA-N 486.705 5.485 50 1 JKGF C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320697 GVQLWMROBPIKLA-BKSPZVJESA-N 472.148 5.196 50 1 JKGF N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321269 IMTCPPROYQCPQJ-JTHBVZDNSA-N 452.279 5.052 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587370995 CHGNIMZRDOCMTG-XNMGPUDCSA-N 484.478 7.051 50 1 JKGF O=C1C[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587495574 DUOYPUZKXXBEGS-XTEPFMGCSA-N 489.955 5.401 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccccc2)no1 587537773 KAMHAKAGDXDHFW-ZJSXRUAMSA-N 478.298 5.299 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587669619 FNYBXQZUDCIIGB-HTGLOVNISA-N 487.207 5.167 50 1 JKGF CC(C)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587673137 KOHACUORGREWOD-RBZFPXEDSA-N 455.209 5.884 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2cccc(Br)c2)N1 587679699 NITHGRYPENDCII-VOJFVSQTSA-N 461.600 5.562 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587702736 FQGILYJOKHMZNW-YZOQQBSESA-N 464.684 5.370 50 1 JKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962762011 IQQNPAVUFSPBRD-FCEWJHQRSA-N 478.711 5.346 50 1 JKGF CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(CCl)c2[C@@H](O)C1 49033657 PRAISEVVHNSPBH-IBGZPJMESA-N 465.943 6.734 50 1 JKGF Clc1ccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)cc1 96272505 BDVXUKAIEGCZSB-SFHVURJKSA-N 477.193 5.834 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(\C)C=O)CC[C@]3(C)O)O1 139850034 RPXRCEJKIKHRBO-YBJVGNJESA-N 468.678 6.770 50 1 JKGF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 587027128 PPERWAOBQWZMAY-ZMYBRWDISA-N 491.551 7.357 50 1 JKGF Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587320626 GCXGLXGGEOBGRP-GGAORHGYSA-N 486.293 5.397 50 1 JKGF COc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324212 XEDZWUCYVNPVEA-GGAORHGYSA-N 457.295 5.189 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C 587326513 LQSKIZVITVMSKG-IGKIAQTJSA-N 499.966 5.810 50 1 JKGF CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611582 GPKAELUILBAAAP-NBGIEHNGSA-N 485.989 5.212 50 1 JKGF C[C@@]1(c2cccc(CCl)c2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963001276 AFABCEPKFGBTGH-WNCULLNHSA-N 493.390 5.975 50 1 JKGF COc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772619402 QEMIMKHKUITFJX-QFIPXVFZSA-N 498.423 5.671 50 1 JKGF COc1cc2nc(Nc3ccc(C#N)cc3)[nH]c(=Nc3c(C)cc(/C=C/C#N)cc3F)c2cc1OC 1857545927 IJTPNJYEJHTTHP-SNAWJCMRSA-N 480.503 5.412 50 1 JKGF C[C@](O)(COc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857569290 XUOLENYEHAKDBN-KRWDZBQOSA-N 490.372 6.003 50 1 JKGF CC(C)(C)c1nc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)no1 27736342 KZTWMKSSZOCWBC-UVHMKAGCSA-N 478.936 5.222 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1ccc(Br)cc1 84619054 OBTZBPSCLOQDLR-QFEZKATASA-N 479.403 5.241 50 1 JKGF COc1cc(/C=C/C(=O)c2c(O)c3ccccc3oc2=O)ccc1O[Si](C)(C)C(C)(C)C 195018521 RQYFOSYKQSWIIK-ACCUITESSA-N 452.579 5.787 50 1 JKGF CC1=CC[C@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 200942054 GJYZRMAFYKGFKM-IFFFSDDRSA-N 472.754 7.577 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325974 IZJIGEHGGVYSLO-IAPPQJPRSA-N 495.978 6.543 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Cl)[C@H]1c1ccc(F)cc1 587370694 AVBPBCSMAJXRSH-FXAWDEMLSA-N 467.743 5.896 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587542020 FGCYSZKYDVKGJO-RLWLMLJZSA-N 465.933 5.473 50 1 JKGF N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546995 KPJQUJKGFYQAJT-UGKGYDQZSA-N 457.429 5.482 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587670964 NADUCZWMSQVCME-UFYHVXEKSA-N 475.627 6.111 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587686481 CWMCSHBTKGRIIM-RBHXEPJQSA-N 472.012 6.477 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2sccc2Br)N1 587843696 JQRQLSUBJKNYSH-XXFAHNHDSA-N 476.234 5.404 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2nc3ccccc3s2)N1 587857479 KKOPQCVGEYFSDX-MLCYQJTMSA-N 470.205 5.371 50 1 JKGF FC(F)(F)Oc1ccc([C@]2(CCCCCCl)c3ccsc3CCN2Cc2cccnc2)cc1 963002391 ZUEDWCRSXIRBCZ-XMMPIXPASA-N 495.010 7.143 50 1 JKGF COc1ccc([C@@]2(CCl)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(OC)c1 963842687 ZMGSENJYCTYOLM-WXTAPIANSA-N 489.996 5.131 50 1 JKGF CC(C)(C)OC(=O)N1[C@@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)COC1(C)C 2178319858 DKWOLPPOVUSBOE-HSZRJFAPSA-N 476.577 5.353 50 1 JKGF CC1=C2C[C@](C)(CO[C@@H]3OC(=O)[C@]45C[C@@H]6CC(C)(C)CC6=C(C=O)[C@]34C5)C[C@@H]2C[C@]2(C)CC[C@]12O 2356722525 JVSGWCCMXPFMRE-DZCFFDJBSA-N 480.645 5.266 50 1 JKGF CC[C@@H]1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13492710 BLTGLSZGVUVZAS-OHPNAPQJSA-N 477.992 5.296 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(-c4cccc5ccccc45)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105643 SJCYSZQOHYQIBP-LXYZELFYSA-N 486.608 7.094 50 1 JKGF C[C@](Cl)(/C=C/[C@H](Br)[C@](C)(Cl)[C@@H](Br)CCl)CBr 137586902 PHKONGFYKSGPSW-DIAJGAPXSA-N 480.293 5.698 50 1 JKGF N#C[C@H](O)CCCCCCCCCCCCCCC/C=C\CCCCCc1ccc(C=O)[nH]1 140171026 AQTNXUZBBPTYCC-HQGHLRICSA-N 456.715 8.222 50 1 JKGF O=C(CCN1CCCC1)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 222685562 NYMZDEAJBFJPCA-UHFFFAOYSA-N 492.451 5.039 50 1 JKGF C=C([C@H]1[C@H](Br)[C@@H]2[C@@H](CC[C@@]2(C)O)C1(C)C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 238733951 ARJJMSRVKBBKMI-WLMMIMMTSA-N 464.282 5.054 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2Cc3ccccc32)[C@@H]1c1ccc(F)cc1 587323278 QOULYIVRLFWWNH-BGWNEDDSSA-N 453.307 5.364 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 587323978 OKHYFCSWFQSOEM-UNQQWELDSA-N 481.007 7.660 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587456062 JVYPDYBJUFUNPO-HSZRJFAPSA-N 482.415 5.091 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 587458134 GRCWUEBABUZYCU-HBIPHATFSA-N 489.955 5.364 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 587501940 CZKFAXWWTBWGNL-HXUWFJFHSA-N 497.170 5.426 50 1 JKGF COCCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688358 LZJXLGOPAPNFII-ASSNKEHSSA-N 457.815 5.060 50 1 JKGF CCCCCCCC=CCCCCCC=CN(NC(=O)COC)C(=O)CCCCCCCCC 2356776009 SLWJBIZOZMCRQW-UHFFFAOYSA-N 478.762 8.014 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1 43382192 ZOFHEQWWFYMHGR-FNPAZFQPSA-N 484.596 6.423 50 1 JKGF Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 100703146 RWWMNVNPDIIXLZ-QHCPKHFHSA-N 498.435 6.943 50 1 JKGF C/C(C=O)=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 255201919 CFBBUWFXWSYJHB-MAHJNVOUSA-N 454.695 6.837 50 1 JKGF Cc1ccc(-n2cnnc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Cl 586968674 UVGFSUDGOQSZNO-UHFFFAOYSA-N 481.903 7.055 50 1 JKGF Cc1ccc2c3c(cc(-c4cccc(NC(=O)CBr)c4)nc13)-c1ccccc1C2=O 586994148 WLZQPWXLGYVTRF-UHFFFAOYSA-N 457.327 5.755 50 1 JKGF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587092805 ASPGXVOAZJAUIL-RXMQYKEDSA-N 476.187 6.112 50 1 JKGF N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587154025 BPXQGTCWLGSXFL-QFYYESIMSA-N 472.252 6.463 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323870 NDOAUGHTWQZLBL-YNLFQQRNSA-N 453.897 5.371 50 1 JKGF N#CSC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370120 TWZNPDLGTYOXLJ-GMAHTHKFSA-N 484.346 5.762 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)CC2=O 587455581 DGOGSASPZQUVMC-AREMUKBSSA-N 463.371 6.172 50 1 JKGF COc1ccc2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587501950 ZJKKMLMPRLDMLW-RUZDIDTESA-N 451.360 5.983 50 1 JKGF N#CSC[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612312 JEANVWNOVMISKB-JXFKEZNVSA-N 474.357 5.288 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 587616077 YZIQRXMHARKORV-IGKIAQTJSA-N 494.012 6.211 50 1 JKGF COc1ccc(C)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674356 WIIHIPUACZVHKG-BUXKBTBVSA-N 457.181 5.078 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587686504 VLZDPGFNABZDPH-LTBCBRHQSA-N 477.846 5.496 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689811 WQCAPHCKBAWJII-JOWJHRDDSA-N 466.866 7.240 50 1 JKGF O=C(O)c1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(COO)c4)cc3)cc2)ccc1O 888075884 NHRGURHYXYNJPB-QAVVBOBSSA-N 484.468 7.283 50 1 JKGF CCCCCCCCCCCCCC[C@]1(CBr)N[C@H](C)Cc2c(OC)ccc(OC)c21 963612573 SLMFCVHKWCUBIG-AJTFRIOCSA-N 496.574 7.919 50 1 JKGF C[C@@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857534471 BXUQCJOBNBBZFA-MRXNPFEDSA-N 481.430 6.845 50 1 JKGF C[C@@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857560973 NJCSFJOBHCINAR-MRXNPFEDSA-N 481.430 6.845 50 1 JKGF Cc1ccccc1-n1c(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1 101902224 NIEVELUOOLCEPO-PYCFMQQDSA-N 465.542 5.099 50 1 JKGF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586939405 NYZHZQLZOZNLNI-NSHDSACASA-N 455.474 5.964 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321739 KMWMSFGGEZLVEN-VNANDLDISA-N 485.305 5.298 50 1 JKGF CCc1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O 587324945 BBUYUUNEGXMUER-DHLKQENFSA-N 455.913 5.426 50 1 JKGF N#CCCn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587329111 XDJXZFUUTIBJKS-XNMGPUDCSA-N 474.919 5.893 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502429 DZRMJXSOLOCQOI-XMSQKQJNSA-N 453.298 5.713 50 1 JKGF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587530777 DVMRZYDOKWOKFZ-VWLOTQADSA-N 469.990 5.012 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1Br 587538681 FUTHNCQFUHFHPG-DENIHFKCSA-N 459.723 5.337 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3o2)N1 587672792 HWTCIBGZDMGIEZ-NSPYISDASA-N 453.149 5.507 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685277 PFPWSRNRJUFPTL-ZSEKCTLFSA-N 453.783 5.199 50 1 JKGF O=C(Cl)c1ccc([C@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963191897 ZVSCCYFTAJCBFP-SJCJKPOMSA-N 486.195 5.143 50 1 JKGF Cc1cccc([C@]2(CCCCCCCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963193168 LBEIUSCEXYXEDR-XZWHSSHBSA-N 457.061 7.551 50 1 JKGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccc(Br)cc2)n1 13647765 AHPASSYAFUMRIC-CAPFRKAQSA-N 450.365 5.304 50 1 JKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C4N=C(N)O[C@@]45C[C@@H](Cl)CC[C@]5(C)[C@H]3CC[C@@]21C 49051285 UFXPSJLAQNHFTH-QFJUKGJOSA-N 461.134 7.286 50 1 JKGF COc1ccc2nc(Oc3ccc(C)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084571 WBSQAPYTZRPBCW-RUZDIDTESA-N 481.552 5.795 50 1 JKGF Cc1cc(Cl)cc(C(=O)N/N=C\c2cccc(C(F)(F)F)c2)c1NC(=O)c1cccnc1Cl 103217512 RMFYLTNRCIWXRG-KYMQWJLESA-N 495.288 5.732 50 1 JKGF Cn1cc(-c2ncc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)s2)cn1 587021691 NRSNNKORYJGHEA-UHFFFAOYSA-N 486.289 6.507 50 1 JKGF CC(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324943 AZTBLANRKXXGNE-LSYYVWMOSA-N 466.980 7.102 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2Cl)[C@@H]1c1ccc(F)cc1 587337482 RTLFYXJSLAFPBP-IRLDBZIGSA-N 479.704 5.973 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)O2 587372878 NJNODYUDHDXCRU-HSZRJFAPSA-N 463.792 6.391 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 587381120 GFIVWKYSPTVLCJ-QGZVFWFLSA-N 482.218 5.870 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Br)ccc(Cl)c1F)O2 587383100 XMJNDHRSOGVOCP-KRWDZBQOSA-N 477.555 5.388 50 1 JKGF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CBr)ccc21 587500164 RCKJLSPPOMJESI-HHHXNRCGSA-N 473.366 5.914 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCC2 587539535 WXYQVOZPCTUCOP-ZJSXRUAMSA-N 451.316 5.133 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cn(C)c3ccccc23)N1 587671968 CCTWEWQAIWPTGD-MPBGBICISA-N 466.192 5.253 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2coc3ccccc23)N1 587673768 PVGCAJKVXITQEY-JEOXALJRSA-N 453.149 5.507 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1CCCO1 587690037 YXTYTQJPDFMWLG-OLPMXTGOSA-N 469.826 5.202 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2C(F)(F)F)N1 587712877 RECUJLDSQPHUDF-QGHHPUGFSA-N 481.125 5.780 50 1 JKGF COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c1C 587788272 UVUQSGZBPVQLHT-UHFFFAOYSA-N 473.261 6.975 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963194505 NAAMLMVWWCIOAE-PLVCOEKASA-N 487.485 7.134 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc4c(C(F)(F)F)cc(=O)oc4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857745131 AZNFLYLCNSWWFC-MCUBPXJCSA-N 496.478 5.399 50 1 JKGF CCOC(=O)C1=C(CSc2ccccc2)N(C)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447632 GNBJVXCBXJFTQQ-QFIPXVFZSA-N 472.532 6.141 50 1 JKGF C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 43677106 JAIQFWYEDUGGJA-AWEZNQCLSA-N 495.171 5.340 50 1 JKGF CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 238733061 KOXZGKSNTSBMQC-DFHVBEEKSA-N 498.748 7.239 50 1 JKGF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F 587149805 BGIBXZZYVISFKR-ZJUUUORDSA-N 475.227 7.532 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2coc3ccccc23)[C@H]1c1ccc(F)cc1 587321560 KCXZYOCFHAXXLZ-UPVQGACJSA-N 467.290 5.927 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 587370813 BWNPUNGPNLRTRD-DNQXCXABSA-N 461.389 5.101 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc2c(c1)OCO2 587496970 GZRKUPLBFQAKCG-NDEPHWFRSA-N 477.988 5.860 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537637 JJRFPEOLSNBJJA-MCVWCKRISA-N 459.723 5.686 50 1 JKGF O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545913 SOFTXPBADBCISJ-NAKRPHOHSA-N 485.923 5.475 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587669306 CRUVBEOQZOTGRQ-BFKGZMGPSA-N 491.626 5.811 50 1 JKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@@]12c1ccsc1CCN2Cc1ccco1 962710181 LDMKNTGZJXUNQX-NLTKXKDSSA-N 495.604 5.048 50 1 JKGF Fc1cccc2c1[C@@](CCCCCCCl)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1C2 963102593 NBFVHPCGCLTIAR-XUZZJYLKSA-N 453.951 7.298 50 1 JKGF CC1(C)C=Cc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(CBr)cc3)ccc2O1 1772601205 MBTAFBVZPOHEEZ-UHFFFAOYSA-N 490.463 5.899 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)cc2C3=O)OCC(C)=CCC1 2356800161 PTNYYODJBDDUKA-LQGLAIQGSA-N 479.400 5.749 50 1 JKGF O=C1[C@H](Cl)[C@@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 1662030 JLSMKKTURMJQEA-WOJBJXKFSA-N 468.365 5.397 50 1 JKGF C[C@@H](C(=O)NNC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Oc2ccccc2)c1 84603021 UTCAXTFBKLAKDG-OAQYLSRUSA-N 465.553 5.702 50 1 JKGF C/C1=C(\CCO)SS/C(CCO)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O 195519958 SDZBPJBCZNNPSA-MMUCEYJRSA-N 486.744 5.427 50 1 JKGF COc1cc(Cl)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587066216 JWWPOBMUQCPESG-UHFFFAOYSA-N 463.653 7.312 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2Br)[C@H]1c1ccc(F)cc1 587324388 YHQAOQSCWBUFAI-JTHBVZDNSA-N 475.741 5.873 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 587332801 JYDSEOVBWDLTBX-XTEPFMGCSA-N 493.937 6.571 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)O2 587373567 RJEROQZWQONSKE-LJAQVGFWSA-N 467.952 6.532 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O 587461086 WGXVZWVKXRYQOY-CRYYWNKWSA-N 463.961 5.820 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 587845110 MWZRPNQOGLYINZ-MGNBDDOMSA-N 460.199 5.887 50 1 JKGF O=C1c2ccccc2[C@@]2(c3cc(CBr)ccc31)c1c(F)cccc1C[C@H]1CCCN12 963113334 SYKLIBDIIKEYRB-WXTAPIANSA-N 462.362 5.577 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(C(=O)O)cc2)C1=O 1857655804 WNORIFUMYDSPFG-OAQYLSRUSA-N 492.572 5.331 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802426 VOBDHFVZHQMWOY-FBNDGMMSSA-N 458.505 6.640 50 1 JKGF CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(CCCl)[C@H]1[C@H]2C 49878447 AWAJIECEVYZAAJ-JIDVOABASA-N 486.140 6.551 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060273 IZKGINTWIKNLIC-UHFFFAOYSA-N 481.877 8.756 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)CC2=O 587450603 GMZKZRHAOLOKSB-NQIIRXRSSA-N 467.743 5.097 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 587683117 FMKHNJMQPREEIP-IZHWHUGBSA-N 487.800 5.592 50 1 JKGF C=C[C@@](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)(OO)C(C)C 2356526978 RBCZOQQEGCYPRX-HCVXWZMMSA-N 458.683 6.592 50 1 JKGF C=C1/C(=C\C=C2/C[C@H](CCl)C[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 38791763 BILXVMCDOKFLDB-UUKKMLSSSA-N 465.118 6.170 50 1 JKGF Cc1ccc2c3c(c4c(nc13)[C@H](Br)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586992524 CMVJOWSTKSWDSL-AUUYWEPGSA-N 493.401 6.030 50 1 JKGF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263466 MXVUAZAXPWFGAU-SZEHBUNVSA-N 492.264 5.643 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587324329 XTRCJXCRIVVSQU-VWNXMTODSA-N 487.321 5.198 50 1 JKGF CC(C)c1ccc(OC[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325603 GBWZMXRXEMOXDX-RSXGOPAZSA-N 454.925 6.070 50 1 JKGF COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587328783 VOJDGEWUGWQLSZ-BDYUSTAISA-N 499.966 5.396 50 1 JKGF COc1cccc(-c2cc(-c3cccc(NC(=O)[C@H](C)Cl)c3)nc3c2oc2ccccc23)c1 587358921 VLKMJWDNGGBAKA-INIZCTEOSA-N 456.929 6.889 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cnn(-c3ccccc3)c1C)CC2=O 587455550 CPTMFRHZJPQRBN-QHCPKHFHSA-N 455.352 5.094 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587498902 JYOMNHNDDDSHRU-BSEYFRJRSA-N 454.364 5.094 50 1 JKGF O=C1C[C@](CBr)(c2cccc(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587500673 ULORUYURCNAKKI-MHZLTWQESA-N 477.398 6.400 50 1 JKGF COc1ccc2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587501954 ZJKKMLMPRLDMLW-VWLOTQADSA-N 451.360 5.983 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545960 UHZXCEKFSKUYFX-LXFBAYGMSA-N 482.875 5.221 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CCCl)c2c1 587618756 UEMGRBIKMRCKNA-UHFFFAOYSA-N 485.949 5.334 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670618 LZBKKAICLZXBDN-LIBAHTEVSA-N 461.600 5.803 50 1 JKGF Cc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587673855 QWFPMNGHEUGROS-ASSNKEHSSA-N 493.218 5.255 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F 587725876 SJTRKFCFDDHDSP-BSEYFRJRSA-N 493.823 6.460 50 1 JKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCCl)(c2cccc(F)c2)N1 963188153 VSFMUHVTZNAPEA-DNVCBOLYSA-N 450.259 5.359 50 1 JKGF CC(=CC[C@H](Cl)[C@@](C)(Br)CCl)[C@H](Cl)C(Br)Br 2356649719 XELJFHNIOKSRIG-NRPADANISA-N 480.293 6.046 50 1 JKGF CC(C)=CCCC(C)=CC[C@@]1(C)[C@H]2Cc3cc(C(=O)O)ccc3OC=C2CC[C@H]1Br 2356805949 VLDCWRGHDGBLAQ-FBILRYNDSA-N 473.451 7.466 50 1 JKGF CC(C)=CCC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@]34C=C[C@]12OO4 2356866350 WFBQHPZHJVDGRG-MOOPVUDNSA-N 498.660 5.562 50 1 JKGF C[C@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 13609020 ZKDAMBGOMUPTPD-FQEVSTJZSA-N 480.489 5.028 50 1 JKGF CCOC(=O)c1ccc(NC(=O)CCCCCCCCCCCCCCCBr)cc1 29215234 AFECDAOUDGEMMD-UHFFFAOYSA-N 482.503 7.658 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 587376944 ZCZHNOHSYFDOGQ-REWPJTCUSA-N 484.346 5.790 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCBr)cc1 587537616 IXPYRBZESWIIIP-NZQKXSOJSA-N 455.304 5.259 50 1 JKGF CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccnc(CCl)n2)c1-c1ccccc1 587941337 SENQMWYSMNGEPU-UHFFFAOYSA-N 496.792 6.279 50 1 JKGF Cc1ccc(C)c([C@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962964646 YRICVOGQSZIBCT-JOCHJYFZSA-N 468.357 5.612 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3=O)OO 2356497202 DYSGKRAFNMJFSM-UTDBNBEISA-N 472.710 7.126 50 1 JKGF CC[C@@H]1Oc2oc(cc(=O)c2Br)CCCCC#CCC=CCC=CC[C@H]1Br 2356668556 UGBPUPWKCCXBOM-QUCCMNQESA-N 498.255 6.336 50 1 JKGF COc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 1660618 YZGQWJZFEFQYRQ-IAGOWNOFSA-N 452.135 5.355 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(C(F)(F)F)cc1)OO2 64448031 UBPCTMXZDDYSBB-MMTWIKPJSA-N 469.503 7.175 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054640 HJJUDGXZSPGWGQ-OQLLNIDSSA-N 452.301 6.250 50 1 JKGF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587067465 BOEGESGAWFTMDG-SECBINFHSA-N 491.707 8.085 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329256 CPNLAXMUAFFHHQ-PWJBXEHMSA-N 459.286 5.708 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 587373762 SFAWLBVNOUKKNF-ZBSNKRKSSA-N 495.362 5.250 50 1 JKGF C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543124 JDVGGFVISMYWCO-RCZVLFRGSA-N 451.906 5.227 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545371 RCEQMURVVXQMGZ-OZXSUGGESA-N 465.933 5.473 50 1 JKGF CSc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609890 ARSVTESFVKMYMQ-KNQAVFIVSA-N 457.345 5.366 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674535 XLULKNGORRSLDT-XCLFUZPHSA-N 471.208 5.548 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 587678411 CACKCUYXVNTDIJ-YYUOZPCZSA-N 484.752 5.338 50 1 JKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687839 IRGMXGNDEUBILS-YLGBZRSBSA-N 457.815 5.231 50 1 JKGF O=C1c2ccccc2[C@@]2(c3cc(CBr)ccc31)c1c(F)cccc1C[C@@H]1CCCN12 963113318 SYKLIBDIIKEYRB-HFJWLAOPSA-N 462.362 5.577 50 1 JKGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](Cl)C[C@H]2Cl)[C@H]1Cl 2356419393 QMDYPTUSBYRIAW-VBRIPPHLSA-N 497.482 5.361 50 1 JKGF CC(=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO 2356709911 ADDJEJWGIYLORW-UKDVSSAZSA-N 497.415 5.055 50 1 JKGF CC(C)=CCCC(C)=C[C@@H]1C=C(CO)[C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)[C@@H]2O1 2356859986 UAIWZHQILBAHGX-HAQPDCMISA-N 486.693 5.211 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]2(CO1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 165559966 AIKJBFPXVYAIKI-HICRNETCSA-N 470.694 6.406 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 587335283 QMPSKZFBUOGIHB-IFMALSPDSA-N 479.704 5.926 50 1 JKGF CCCCCCCCc1ccc([C@@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496188 BWUAMFWROXTRSO-GDLZYMKVSA-N 453.066 7.958 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCC1=CCCCC1 587499569 VRZVTEURKLLMFY-NDEPHWFRSA-N 452.038 6.974 50 1 JKGF CC(C)c1ccc([C@@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669469 DGPCLXRVUBXGRY-HKZYLEAXSA-N 469.236 6.273 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671045 ODOQUODDCRFSSY-NSZCRDCNSA-N 498.234 5.498 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)([C@@H](C)Br)N1 587671051 OFKFDOXTCQADBG-PJYBLOJUSA-N 461.600 5.803 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682430 CHGHMTRRNKLTBI-NPMXOYFQSA-N 481.837 6.124 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 587689169 QLMCXNFZCDEVIH-YBTHPKLGSA-N 452.755 5.000 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587705035 KSJJROFLRHBFHP-KAWXRDEMSA-N 464.684 5.105 50 1 JKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1C 587922888 JBYIPYXFEAFIAZ-JCMHNJIXSA-N 480.612 7.990 50 1 JKGF CCCCCCCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911578389 WLMLTJHJUPFDMM-UHFFFAOYSA-O 461.650 8.482 50 1 JKGF CCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675493 RNNSPCFXKYKMIN-QHCPKHFHSA-N 462.981 5.633 50 1 JKGF O=C(Cn1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21)Nc1ccc(F)cc1 15990060 CGQUKKDMZFUTKI-YNFMAFFXSA-N 482.437 5.202 50 1 JKGF COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(CCCl)CCCl)c4cc3c2c1 29547176 DATTWTNXWUAXNR-UHFFFAOYSA-N 459.421 5.768 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325431 FMJYPELEWVDORE-YIXXDRMTSA-N 481.951 6.009 50 1 JKGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F 587510740 XUNRIKAKOSMCLE-OAQYLSRUSA-N 469.297 5.848 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1Br 587541383 UDTLIKUPEPMNSG-OFNKIYASSA-N 473.750 5.867 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(F)c1F 587557842 PBRMFQQUUMSEDT-UWJYYQICSA-N 465.221 5.062 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 587725535 QTMAFOQZMQTUOW-ZJEXCSKESA-N 493.617 6.136 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 587850465 YZUPXJGLFLGGBF-YUNKPMOVSA-N 496.243 5.884 50 1 JKGF O=C(O)[C@@H]1Cc2occc2[C@@]2(CCC[C@@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963187252 CHVZDHBPDJEYTF-WFIHMLKPSA-N 477.944 5.527 50 1 JKGF Cc1ccc2[nH]c(SSc3[nH]c4ccc(C)cc4c3CCC(=O)O)c(CCC(=O)O)c2c1 13832599 LOGBNOOWFMSMKQ-UHFFFAOYSA-N 468.600 6.100 50 1 JKGF Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 45321684 GHWZWISHABGHCN-JWQCQUIFSA-N 480.347 6.029 50 1 JKGF Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84713355 UTJJWJFPCVPPOT-XMMPIXPASA-N 484.003 5.960 50 1 JKGF O=C(CN1CCCCC1)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 221788974 RLBYYXLRLSSLCL-UHFFFAOYSA-N 492.451 5.039 50 1 JKGF C=C(C[C@@H](O)/C=C(\C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255224121 KUSJNVJEIABOSC-OCQQTWNUSA-N 454.695 6.693 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)c(C)cc1OC)CC2=O 587456393 OCZCIWKUNFVHBU-OAQYLSRUSA-N 453.760 5.571 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C 587687342 FZIROTSAZDNVPP-VERVWZFWSA-N 485.825 5.391 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 587687739 HNUVMAIEVSVBBK-OYLFLEFRSA-N 491.832 5.652 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 587688646 MUCXNYCSTOONED-QPFGOUBPSA-N 472.012 6.477 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(C#N)cc(-c3cccc4ccsc34)c1)(C(C)C)C(C#N)=C(N)O2 1772590633 QCPWCZKASIKFDA-AREMUKBSSA-N 451.555 5.500 50 1 JKGF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238540 DEOAVVUSKYVTRB-QSZISKGPSA-N 497.530 6.775 50 1 JKGF COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O 587423941 LUOBQJMEJHDMKG-MLUNNPJHSA-N 487.930 5.974 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587544541 OAYPGQNTKSLVML-ZEQKJWHPSA-N 463.917 5.548 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674536 XLULKNGORRSLDT-ZUOKHONESA-N 471.208 5.548 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685677 RGVCTYIRGNJGKS-GIJMVEMTSA-N 463.819 5.106 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(I)cc2)N1 587738350 NLDPVMJPDQAFDU-DYZYQPBXSA-N 494.573 5.209 50 1 JKGF COc1ccc2c(c1)C[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)CC2 587946056 IVPSZSBYHMSTHH-LLVKDONJSA-N 483.300 7.264 50 1 JKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@]12c1ccsc1CCN2Cc1ccco1 962710175 LDMKNTGZJXUNQX-HMXFMCBNSA-N 495.604 5.048 50 1 JKGF CCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962922338 CPHJTWGOLQJAJC-CCXQXCJASA-N 465.977 5.607 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23c2ccccc2CCN3[C@H](C#N)c2ccccc2)c1 963187111 HQSFSUSLGNRLEM-PQHLKRTFSA-N 499.010 6.225 50 1 JKGF CC(C)Cc1ccc([C@H](C)C(=O)OC[C@@H]2C[C@H](Cl)C[C@H](c3cccc4ccccc34)O2)cc1 96914022 XRTGPAZJEJEHNF-NRJWLCNDSA-N 465.033 7.213 50 1 JKGF C[C@@H]1C(C=O)=C[C@H](O)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 255273505 VPUGJHCMFDNBBF-BVNGBECZSA-N 456.711 6.175 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056335 PELGSBDREGVMJT-VGOFMYFVSA-N 476.289 6.755 50 1 JKGF CCCCOc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319393 BBZTYGPZTNHUSU-AOYPEHQESA-N 499.376 6.360 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)s1)CC2=O 587493842 IBFOIKOTEZEICU-QGZVFWFLSA-N 460.187 5.424 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497254 IAIBSUSMNLSXQU-JMQGSBJISA-N 459.973 6.040 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569754 JEGPJARUYFRHDR-IGKIAQTJSA-N 477.919 6.035 50 1 JKGF CCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671783 ATAADIJVNHEKQC-BUXKBTBVSA-N 457.181 5.160 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccc(Cl)s3)cc(C(C)(C)C)c1)(C(C)C)C(C#N)=C(N)O2 1772637045 RQSYKFMBRNMOQW-RUZDIDTESA-N 467.038 6.426 50 1 JKGF CNc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 5581983 DRTNXALIYSNZIV-HNNXBMFYSA-N 479.964 5.371 50 1 JKGF CCCCC[C@H](NC(=O)CCC)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCCCC)NC(=O)CCC 36330295 NMRBYFIBVCAQJV-SZPZYZBQSA-N 496.733 5.839 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2C)ccc1O 45354652 RYBYWMARVVPATD-LUOAPIJWSA-N 478.858 5.284 50 1 JKGF C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 55840170 VXMCGDYMISMIHO-UHFFFAOYSA-O 494.446 5.944 50 1 JKGF CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 95913865 DIEFFKCJCDUOGU-WLQATPCVSA-N 462.583 5.097 50 1 JKGF biogenic,in-vitro CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1)N2 169299562 BGFCFSUMQMMXNS-MBAUQFBBSA-N 479.001 6.836 50 1 JKGF CC1=CC[C@H](C(C)C)[C@@H]([C@@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O 195413458 UNKZYPANFYTNKX-DGPQKAOFSA-N 464.722 5.120 50 1 JKGF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587160707 FOSULESXXRAIKA-RYUDHWBXSA-N 457.237 7.393 50 1 JKGF N#Cc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587323511 RGVCSMOXVJWPGI-GGAORHGYSA-N 452.279 5.052 50 1 JKGF CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C[C@@H]1C 587326717 MVWWNILMHCODOE-YVAYWKMGSA-N 479.935 5.322 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3sccc3c2)[C@@H]1c1ccc(F)cc1 587375812 UQJINPGCOOOPSX-ISKFKSNPSA-N 483.358 6.395 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)CC2=O 587457901 DABWYLDCOHIMDA-AZGAKELHSA-N 494.931 5.360 50 1 JKGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501774 XRJYPSPXHVWLJG-HSZRJFAPSA-N 474.351 5.300 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587504433 IYMOSWJHYZACHB-HXUWFJFHSA-N 455.270 5.720 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674708 ZPKWUKQTQLIEML-VVVCHXIZSA-N 482.018 6.068 50 1 JKGF O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@@H]1CC=C[C@@H]31 653840615 LINVDAPEIYDTLW-VGPVDHBDSA-N 482.989 5.413 50 1 JKGF COc1ccc2c(c1OC)[C@]1([C@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676563 KZPPSFDMNLLKEE-NLFFAJNJSA-N 495.969 6.434 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2c(F)cccc2CBr)N1 963185892 QKUZFUVVJUWAEP-HOCLYGCPSA-N 466.656 5.081 50 1 JKGF C[C@H](CCCC(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356330599 TUKFJQKYIHLUEX-CSQLLMMOSA-N 460.743 7.861 50 1 JKGF C=C(C(=O)C[C@@H](C(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Cl)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356406692 DHENOLVIJJTNHM-HOIIFIIDSA-N 479.101 6.096 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586892416 WZOSQRRJHDBKFY-FZKQIMNGSA-N 465.285 7.354 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056638 QDSSAHFFZAEKGK-VGOFMYFVSA-N 493.291 7.499 50 1 JKGF N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546991 KPJQUJKGFYQAJT-KNQAVFIVSA-N 457.429 5.482 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Cl 587566966 CORSTZCGRVZGPN-NQIIRXRSSA-N 463.686 5.437 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569758 JEGPJARUYFRHDR-SQHAQQRYSA-N 477.919 6.035 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC3)N1 587673796 PZTZJSAWWSBEOB-YUNKPMOVSA-N 453.193 5.250 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587686984 YFOSONXZLSHVJY-YTEVENLXSA-N 465.794 5.225 50 1 JKGF COc1cc2c(cc1OC)[C@](CCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C)[C@H](C)C2 962564663 HFUDFFZLMVVBDF-MWTRTKDXSA-N 471.947 6.132 50 1 JKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)F)C[C@H]4[C@]3(C)CC[C@@]21C 1857558444 COVSAPDFNJBGKH-JJWQIEBTSA-N 452.610 7.109 50 1 JKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)C[C@H](O)[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2356575425 MJHMUTYZFNTLDJ-WAKBXIBOSA-N 454.695 6.383 50 1 JKGF CC[C@H]1Oc2oc(cc(=O)c2Br)CCC#CCC=CCC=CC[C@@H]1Br 2356736836 TXUVKVIZMJASCN-FUHWJXTLSA-N 470.201 5.556 50 1 JKGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1)N2 2059295 BGFCFSUMQMMXNS-YZKDDNBGSA-N 479.001 6.836 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054291 DYZQPGFOTDCRKA-DHDCSXOGSA-N 486.200 7.104 50 1 JKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587326252 BFGBGDRCCZDDJE-QPPBQGQZSA-N 468.267 5.892 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(CCl)c2c1 587619500 HRAOZSMSPMXCDO-UHFFFAOYSA-N 489.912 5.430 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 587724400 HSFCKRBUJVKQKB-APTHUUICSA-N 477.162 5.622 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587844964 PSNTYJKFNXMERC-WNSKOXEYSA-N 453.380 6.149 50 1 JKGF COc1cc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1C 587927516 QAJTVRSQTBLKHZ-UHFFFAOYSA-N 483.300 7.380 50 1 JKGF Fc1cc(Br)c(F)c([C@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)c1 963117276 YEWJWVPGYJLWSB-ORAYPTAESA-N 475.146 5.525 50 1 JKGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1F 1772636258 IPRSNMLWTNXASL-ZRZAMGCNSA-N 455.455 5.796 50 1 JKGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3cccs3)O2)cc1O 1772648466 XMSUZKDVTXOFFX-RUZDIDTESA-N 465.527 5.087 50 1 JKGF N#CC1=C2c3[nH]c4ccc(Cl)cc4c3CC[C@@]2([C@H]2c3ccccc3-c3nc4ccccc4nc32)NC1=O 1857758881 HXQRLDNODFOIHK-NGQVCNFZSA-N 499.961 5.669 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccc(Cl)cc2)cc(C(F)(F)F)c1 1857767489 ADMJZXRCJQHDLQ-UHFFFAOYSA-N 475.338 5.907 50 1 JKGF CC(C)(C=CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 2356559043 VNMYLOSUYWAAHM-XTZPFBIPSA-N 476.742 6.998 50 1 JKGF C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 58537994 PZWNTBLZPJNMSN-DMJJLMOCSA-N 454.566 7.145 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5cccs5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916439 MOGZOWPEEIBQTN-PQUCPHCFSA-N 490.669 5.941 50 1 JKGF Cc1cccc(C)c1SSCCNC(=O)[C@@H](Cc1cccc(Br)c1)N=O 169717440 BIHKUCCLEJAXFX-QGZVFWFLSA-N 453.427 5.300 50 1 JKGF CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O 205281700 OYWVJUQFSCWSNR-UHFFFAOYSA-N 491.632 5.437 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056649 QIAKNEMVQINSKV-SFQUDFHCSA-N 458.352 6.890 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056827 RZTKOTRSLQQMFY-AUWJEWJLSA-N 469.303 6.179 50 1 JKGF CSc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1NC(C)=O 587372157 DYLQANKEBHLHKH-ILBGXUMGSA-N 485.964 5.705 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 587541653 CORUVKSBFZCJRU-OFSOJUDTSA-N 499.994 6.384 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 587737336 XCLRGCVDBHYGDK-SHACYNPGSA-N 493.823 6.211 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c2ncccc12 587877039 SNMSNQHEGQZZBU-UHFFFAOYSA-N 462.174 5.147 50 1 JKGF O=C(O)C1=Cc2cc(S(F)(F)(F)(F)F)cc(Cc3ccccc3)c2O[C@H]1C(F)(F)F 1772651306 YLPACHDKURHZGI-MRXNPFEDSA-N 460.342 6.726 50 1 JKGF Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 169310626 MAMUEOOYZSGSGW-QHCPKHFHSA-N 484.991 5.170 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 197133755 DTNMLCLEKOLKGE-KDGODWLXSA-N 498.912 10.028 50 1 JKGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332514 RBBZRPMPKPWUEL-VXYQZYGUSA-N 462.908 5.408 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br 587678063 MVLAEAMIWIEGPN-HXPMCKFVSA-N 475.627 5.984 50 1 JKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687395 GMHNUNQMLJFQIH-WGXRPPGPSA-N 472.829 6.963 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2nc3ccccc3s2)N1 587855126 FVQANJOZTMXPQN-YPMLDQLKSA-N 470.205 5.371 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587858095 XXBVFRNPKIBSOL-BNKJWGRQSA-N 478.818 5.534 50 1 JKGF N#C[C@H](O)CCCCCCCCCCCCCCCCC=CCCCCCc1ccc(C=O)[nH]1 2356805351 VGVUKFLXRRQHSY-SSEXGKCCSA-N 470.742 8.612 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 169299312 YCLFNFMIGLHWRQ-XNVFLLSLSA-N 453.347 5.307 50 1 JKGF C[C@]1(Br)CC[C@@H]([C@@](C)(Br)CBr)C[C@@H]1Br 169646915 BQAKZPPEUZUAJR-KATARQTJSA-N 455.854 5.252 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccnc(Cl)c2)[C@@H]1c1ccc(F)cc1 587324521 ZZZSGWSILFHXBZ-CTNGQTDRSA-N 462.702 5.229 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587370990 CHGNIMZRDOCMTG-BDYUSTAISA-N 484.478 7.051 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C 587544174 MYPMCRYFYJSSSI-GJZUVCINSA-N 481.932 5.028 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587687005 FBGZLSGMRMFHEY-VVSNUNSYSA-N 471.798 5.115 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F 587711171 WCYNYDOSLCIXKN-XTZNXHDOSA-N 467.732 5.585 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587849349 SZKGVGBXPVWLOM-XUSGNXJCSA-N 487.866 5.329 50 1 JKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 962711611 SMMNWQNVZNUOKW-SJLPKXTDSA-N 470.677 5.623 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCCCl)(c1ccccc1)N(C(=O)c1ccccc1N)CC2 963150666 GMEIMFZVZQRBOR-GDLZYMKVSA-N 493.047 6.027 50 1 JKGF CCCCCCC[C@H]1O[C@@H]1[C@@H](OC(=O)CCCCCBr)C(=O)NC1CCCCC1 1772647517 QHDGQLREXDNKCY-BAGYTPMASA-N 474.480 5.430 50 1 JKGF O=[N+]([O-])c1cccc2ccn(CCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12 1857538372 YEKZJZCCUTWQMZ-UHFFFAOYSA-N 493.567 6.714 50 1 JKGF CCn1cc(C(=O)N/N=C(\C)c2ccc(F)cc2)c2cc(-c3nc(CN4CCCC4)cs3)ccc21 1911581296 PPZKQXTURWDSEB-UXHLAJHPSA-N 489.620 5.674 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)C=CCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356549741 JDISOLPITHCEHV-JJLVEQRGSA-N 456.667 6.798 50 1 JKGF C[C@]12CC[C@@H]3[C@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 26402438 MQOUPVQZLSJCNN-WOCKNQBSSA-N 483.656 5.771 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O 28647101 KZMOSVHCAINXLS-BSMJVUJKSA-N 488.709 5.409 50 1 JKGF FC(F)(F)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587113665 RSTDKWRNFMNNMD-UHFFFAOYSA-N 467.179 7.669 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319694 CPVDLZZJAKYQOT-UKILVPOCSA-N 480.333 5.970 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587325932 IBACDCSUKMKBQN-XCZPVHLTSA-N 464.964 7.072 50 1 JKGF COc1cc2c3c(c1)O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587414336 LRXFACIWTCYTFG-XQNYSFAXSA-N 473.363 5.073 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)CC2=O 587467165 ORPBPCMWWNZXAD-JLZUEPDWSA-N 482.983 5.847 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCBr)cc1 587537618 IXPYRBZESWIIIP-REWPJTCUSA-N 455.304 5.259 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682040 BDMNJVOHNDEAJS-USGALAMMSA-N 481.837 5.062 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587686951 DQKBYDUJLNTMFD-ZLOXQWCVSA-N 496.251 6.666 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@@H](C)c1ccccc1 587688787 OFYMZELRYHAHHB-FZXICVGQSA-N 489.860 6.632 50 1 JKGF CSc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846682 QPZKXVCUZXQHAP-VOJFVSQTSA-N 459.222 5.483 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587856007 LNQIISCNSQNPIL-UOPCGSSZSA-N 464.791 5.509 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]cc(CCCBr)c2c1 587875673 ZLXOKSKCKKJVTB-UHFFFAOYSA-N 478.217 5.513 50 1 JKGF O=P(OCCSc1ccccc1)(N(CCCl)CCCl)N(CCCl)CCCl 43366000 WLXKRJACYCJSQA-UHFFFAOYSA-N 482.241 5.463 50 1 JKGF CCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 49881888 YUEZTTHPMSNKBV-WQFGXGDVSA-N 493.631 8.440 50 1 JKGF COc1cc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O 53298236 OEBUXXALNAGHSZ-PKTZIBPZSA-N 490.972 5.104 50 1 JKGF CC(=O)N/N=C1/CC[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(C)C 299848975 RCFQMFZAFWOVMT-ATJNCXQXSA-N 468.770 8.156 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 587322083 LKADCBQEUWIUSD-AZGAKELHSA-N 477.329 6.334 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 587325042 WJGHVLARBSMQMS-GGCFSWKVSA-N 497.953 7.247 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1coc2ccccc12 587537448 FOXCGQISDAICNY-NFBKMPQASA-N 451.272 5.390 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(Cl)cc1 587539011 UBUNPPPCPIFKLP-NZQKXSOJSA-N 473.750 6.078 50 1 JKGF COc1ccc2c(c1OC)[C@](CCl)(C1CCCC1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963729655 KIUIFRJFWFUNPW-MHZLTWQESA-N 480.992 5.077 50 1 JKGF C=C[C@](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)(OO)C(C)C 2356582606 PGUZRCYRDRXYDE-WXEWPXJDSA-N 456.667 6.800 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356723774 TXUMQRMGEPNFCA-RSHMTPMFSA-N 458.727 7.947 50 1 JKGF O=C1[C@H](Cl)[C@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 1662028 JLSMKKTURMJQEA-UXHICEINSA-N 468.365 5.397 50 1 JKGF O=C(NCCCCCCCl)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 13489801 VTCFPYMKUJRFJQ-UHFFFAOYSA-N 470.841 6.073 50 1 JKGF CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 49068075 WZPGEXOTYOVAPL-DJCCSWQUSA-N 456.590 5.948 50 1 JKGF CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 140664630 KVTCHSWVSFQOTP-PSXUXZKFSA-N 474.726 6.612 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587321326 DAQYSUTVUMUXNJ-SIKLNZKXSA-N 486.153 6.896 50 1 JKGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328481 URWSGQFWMMUWQI-YZALXGLNSA-N 495.978 5.482 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(SC(F)(F)F)c1)[C@@H](C2)C3=O 587423852 VRGGUFMDAAYBDZ-KSSFIOAISA-N 459.283 5.345 50 1 JKGF CCc1cccc2c([C@@]3([C@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587496824 FVEAEGNRWKWIKH-LOYHVIPDSA-N 470.012 7.450 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587542349 GTBROEZXEGBNBA-RPLLCQBOSA-N 459.929 5.896 50 1 JKGF CSc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1NC(C)=O 587615812 YYSMCBNQOFASTN-URXFXBBRSA-N 469.946 5.168 50 1 JKGF C=C(c1ccc(C)cc1)[C@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653688 VFBYNCPHZPFIJO-JGSUCVCASA-N 478.541 5.851 50 1 JKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C(=O)OCCCCCBr)cc1OC2(C)C 223585580 URNGVGLWOZXZEM-RTBURBONSA-N 479.455 6.389 50 1 JKGF CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)OCc3ccccc3)OO2)C(C)(C)CCC1 238763276 UIDHZKHZBWBCMB-XOPZEBHXSA-N 482.705 8.269 50 1 JKGF COC(=O)c1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2c(F)c1Nc1ccccc1 586970778 GPXDEDRXCSIDSY-KRWDZBQOSA-N 450.308 5.093 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 587323357 QWSUFJFJTAIZIL-ISKFKSNPSA-N 455.323 5.657 50 1 JKGF COCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587327358 PODSFDBROJPKFT-ILBGXUMGSA-N 457.929 5.089 50 1 JKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497795 KYHPYWPPTFBYHR-MHZLTWQESA-N 480.391 6.305 50 1 JKGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587501189 WLESSTAOWKZWLW-OAQYLSRUSA-N 480.196 5.592 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 587844894 CNPWIQNJVOOROI-YUNKPMOVSA-N 496.243 5.884 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)c2ccsc2CCN1Cc1ccco1 962714341 ZEIYYRKFYFFSRI-SSOJOUAXSA-N 457.039 6.255 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(C2CCCCC2)N1 963186612 ULAZFANEDQBTIX-SUMWQHHRSA-N 454.714 5.128 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(CO)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356476293 ABQSCSIGRMJZCY-XQVPNCLKSA-N 490.725 5.584 50 1 JKGF O=C(CCc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 27634665 ICTLEUPPDAZHAI-UHFFFAOYSA-N 464.743 5.182 50 1 JKGF CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCCBr 28820411 NEVPQPJOPCBFQL-UHFFFAOYSA-N 474.463 5.494 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC3c4ccccc4-c4ccccc43)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 44069452 SVJNMYPNSQJZKF-NVXQTGAUSA-N 474.641 6.872 50 1 JKGF C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 96934053 LVUNKWKXQCVJFT-ZSXPUABSSA-N 497.263 5.571 50 1 JKGF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587147625 WDIDZGWXYTUXAO-UHFFFAOYSA-N 488.409 7.400 50 1 JKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3C1=N2 587387444 PYZBTWAQRDZKGL-SSEXGKCCSA-N 490.563 5.589 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672162 DFGUKAATENVCJD-ZUOKHONESA-N 455.209 5.884 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 587674586 XRNPSAYDUJTTPJ-IQMFZBJNSA-N 489.226 6.309 50 1 JKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587852790 JATWQCDAHBDEHK-PRWKNARSSA-N 483.244 6.284 50 1 JKGF COc1ccc2ccn(CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 1857537189 RUJMHBOICXGMED-UHFFFAOYSA-N 450.542 6.034 50 1 JKGF CCCCCCCC[C@@H]1CC2=C(C[C@H](CCCCCC)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356741066 GOPLCHHJWCAECO-RBUKOAKNSA-N 476.610 5.970 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537460 FQORMIRUEKEYES-NFBKMPQASA-N 489.749 5.615 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 587716976 FCVJENRSTJFPTF-ULMSCDGUSA-N 477.162 5.622 50 1 JKGF C[C@H](Cl)[C@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2ccc(F)c(Br)c21 587856017 LQQUIFBJKXHJPL-BRGAERJMSA-N 478.818 5.898 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1sc2nc(C)cc(C)c2c1NC(=O)CCl 963238188 HZKXYKUHTDNSQC-GKVSMKOHSA-N 456.055 6.011 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 13151784 YCLFNFMIGLHWRQ-ABSHZZNPSA-N 453.347 5.307 50 1 JKGF COc1ccc(-c2coc3cc(OC4CCCC4)ccc3c2=O)cc1N(CCCl)CCCl 84709496 XUDKHNHILNLBKW-UHFFFAOYSA-N 476.400 6.074 50 1 JKGF Cc1cc(Cl)cc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)CC(C)(C)C 103211695 ALGVAPRAVKGJRC-UHFFFAOYSA-N 456.801 5.765 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 587027177 QFPBRCKHOBEXII-UHFFFAOYSA-N 465.332 7.478 50 1 JKGF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587069688 DXHVEVUFEKTRJS-SIKCBANDSA-N 483.333 8.893 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1 587499550 VIFHRIGYGBATEE-AREMUKBSSA-N 452.934 5.489 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Cl)c1Cl 587538272 OMUJAJONUSENJH-UTKZUKDTSA-N 480.141 5.951 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC(C)C 587546780 XRBMYVNJBTVACC-BVAGGSTKSA-N 453.966 5.953 50 1 JKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568443 LWPGGHSLOXCQHI-DNVFCKCGSA-N 491.740 5.911 50 1 JKGF N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625741 JVIWTKZEWGLMPM-UHFFFAOYSA-N 454.317 7.464 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587682803 DJXQWMVBFBSORZ-XMHCIUCPSA-N 467.810 5.589 50 1 JKGF COc1ccc([C@@]2(CCCCCCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962664984 KZYZWARGOGDBAE-RRPNLBNLSA-N 467.009 5.385 50 1 JKGF N#CC1=C(c2ccccc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772635267 BQYWPMFOCUUFDZ-NRFANRHFSA-N 468.397 5.663 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2[C@@H]4[C@@H]([C@H](C)OO)CC[C@@]4(C)CC[C@@]23C)C1(C)C 2356499783 KHDIRIGQBDNIRR-UHIDVFRCSA-N 488.753 7.898 50 1 JKGF CC(C)(C=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C)OO 2356657222 ZDBAOIAJPYOBJF-MINMUQAWSA-N 490.769 7.388 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C)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 43208521 HXYXPRAPFYNNIY-YOJQYFTNSA-N 482.749 7.775 50 1 JKGF CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 73352507 CUWJDZXEDIUEEW-FPPTXCGQSA-N 486.737 6.325 50 1 JKGF C=CCCCCCCCCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299826034 YFRWUQNLTPFCMF-UHFFFAOYSA-N 487.688 6.770 50 1 JKGF O=C1c2ccccc2-c2cc([C@@H](Br)Cc3c(F)cccc3F)nc3ccc(O)c1c23 586986927 RHMXQAOMFJBHIN-INIZCTEOSA-N 466.281 6.109 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cnn(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 587323761 TVZAQSLHQLRZIC-UKILVPOCSA-N 493.332 5.366 50 1 JKGF O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)[C@H](Cl)CCCCCCCCC[C@H]2Cl 587334271 YGNNKKOFCGHWGO-WXFUMESZSA-N 479.419 7.368 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538676 RCQBBMWTXSNOJI-WRALFONMSA-N 496.357 5.381 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689484 SWARSQXLGWAIJH-XMQCVEROSA-N 481.837 5.978 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 587689802 WJYNMBZTFLIDPA-PXJUZMOQSA-N 458.762 5.473 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1-c1ccccc1F 962723019 XZCVDPOGLACYQU-SIBVEZHUSA-N 473.032 6.218 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(Cl)s2)N1 963181593 GXGCYQPTQZCXSW-XHDPSFHLSA-N 489.140 5.311 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1ccc2c(c1)C(C)(C)CCC2(C)C 963244396 WONDTBGYXJQOQE-MMTVBGGISA-N 468.523 7.331 50 1 JKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 194959125 YCWNSSLCHYTWSQ-NGYBGGCHSA-N 478.557 5.045 50 1 JKGF COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)c5ccc(CBr)cc5)[nH]c4c3)o2)cc1 586973558 LKEJIELNTZWUHN-OAHLLOKOSA-N 489.373 6.335 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 587379596 YXDLQVZSOQJCNG-AHKZPQOWSA-N 496.003 6.553 50 1 JKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587410232 WFFKEPXSCAHPIZ-SSEXGKCCSA-N 493.587 6.276 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(OCc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587415594 VGSRLSHOXYMZFO-YZKRRQQXSA-N 479.370 5.701 50 1 JKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc1C2 587498538 OGHSQKWKFWTLDH-GDLZYMKVSA-N 491.414 6.658 50 1 JKGF O=C1C[C@](c2ccccc2)(c2oc3ccccc3c2CBr)Oc2c1ccc1c2CCCC1 587501296 WZABIGPXIYYYJB-NDEPHWFRSA-N 487.393 7.116 50 1 JKGF CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611580 GPKAELUILBAAAP-CJFMBICVSA-N 485.989 5.212 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 587682666 NBGLULWXEDSKJZ-FNODVLLQSA-N 484.752 5.338 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 587688967 OMGFKIIFVQGQOU-CHVDNLQBSA-N 487.800 5.612 50 1 JKGF CNc1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 653899195 AZZWBFKGKAQWOU-MBAGFTIUSA-N 464.313 5.005 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Nc3ccc(SC(F)(F)F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857637235 ZWIOXSUVMPVWTH-SZMJOESGSA-N 459.530 5.918 50 1 JKGF C=C(C)[C@@H](OO)[C@H](O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356455628 BEXKXFSUDVVSFA-SSFSAZPASA-N 460.699 6.218 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1F 13675451 PRMUEXGELGWCFE-NRFANRHFSA-N 466.944 5.382 50 1 JKGF S=C(SSC(=S)[C@H]1CCC/C1=N\c1ccccc1)[C@H]1CCC/C1=N\c1ccccc1 27195525 YVTGFADMGIFDFM-IHQGJXGRSA-N 468.738 8.168 50 1 JKGF COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3=O)cc1OCc1ccccc1 49766793 OFUJDRFRTZHFLI-UHFFFAOYSA-N 454.434 5.134 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)C(F)(F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100913223 JHNYMLVVPFWGNA-XUCAVHRUSA-N 466.390 5.044 50 1 JKGF Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1 141355911 HQRNMDOTLJWYAC-UHFFFAOYSA-N 472.936 5.020 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057655 WAXSNAZAEXYSKO-OQLLNIDSSA-N 491.300 7.240 50 1 JKGF CCOC(=O)Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587058528 ZROVFSOFNZVMCZ-CPNJWEJPSA-N 493.394 6.447 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321218 COZVXGSEPWMDEG-YDZMPMGISA-N 481.951 6.152 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587325411 DZHMNYILDSPXJM-SQHAQQRYSA-N 481.951 5.908 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(CBr)c1)CC2=O 587456847 SOBPUKNUQYSTSH-RUZDIDTESA-N 451.360 6.149 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)s1 587611151 FQCBOSAHTOIKLC-VQIMIIECSA-N 451.725 5.359 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)s1 587614411 SKFHLTPJOSBFCX-GHTZIAJQSA-N 479.779 6.092 50 1 JKGF CC(C)[C@@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670343 KGJWHDMFXQVJNK-SMHULIPUSA-N 455.209 5.786 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 587673356 MGRJFFOQVLYWLG-NOQOFINWSA-N 475.284 6.731 50 1 JKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587673857 QWFPMNGHEUGROS-YEJXKQKISA-N 493.218 5.255 50 1 JKGF CC(C)Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587674565 XOEIAVKFEILIIB-LHSJRXKWSA-N 469.236 5.959 50 1 JKGF Cc1ccc2c3c(cc(-c4ccc(N5CCN(C(=O)CCl)CC5)c(F)c4)nc13)-c1ccccc1C2=O 586995450 KQGISMRYHSPNFT-UHFFFAOYSA-N 499.973 5.448 50 1 JKGF O=C(/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 587167183 OSFFCDFKPIXUKS-WAYWQWQTSA-N 486.235 6.774 50 1 JKGF CCOC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(CC)c1C 587326010 JDTLDWRWNLYRKS-IGKIAQTJSA-N 499.966 5.639 50 1 JKGF CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545374 RCEQMURVVXQMGZ-ZEQKJWHPSA-N 465.933 5.473 50 1 JKGF COc1ccc(C)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674357 WIIHIPUACZVHKG-CWTRNNRKSA-N 457.181 5.078 50 1 JKGF CC(C)Oc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674533 XLULKNGORRSLDT-RBZFPXEDSA-N 471.208 5.548 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587684047 JTJSZISXZNCTIB-XMHCIUCPSA-N 467.810 5.589 50 1 JKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1cc(C)n(-c2cc(C)ccc2C)c1C 963052724 GSVPSYBXDNCUSD-NDEPHWFRSA-N 460.021 5.896 50 1 JKGF CC(C)(C)[Si](C)(C)Oc1cc(C(=O)O)cc(Br)c1O[Si](C)(C)C(C)(C)C 1772576564 GMVIBPSCYVPHKF-UHFFFAOYSA-N 461.545 6.915 50 1 JKGF CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CC[C@@H]1O 2356335506 BDNMFPOVAWCGRX-BPFDWJOSSA-N 490.725 5.201 50 1 JKGF CC(C)=CCC[C@]1(C)O[C@@H]1CCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356480651 LHIOARNVSADKCD-NAGJOQLLSA-N 474.726 6.852 50 1 JKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1OC(F)F 40447648 VMJBEKIDUMOJMI-YLITZUEVSA-N 472.513 5.238 50 1 JKGF N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933491 RVBWZTPOQQKYOJ-JWQCQUIFSA-N 491.938 5.564 50 1 JKGF CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 137752882 NUVDETAVXDNNIF-DDJASNKDSA-N 452.639 6.203 50 1 JKGF C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1ccc(=O)[nH]c1=O 195475181 ZUYKHQFLMLDXJZ-IZZBFERCSA-N 496.797 5.039 50 1 JKGF C=C(C)[C@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2OC(C)=O)CCC[C@H]1C 238734768 RKPLHWCOJKGGMT-NYJMLJDHSA-N 458.595 5.124 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@H]1CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238756561 RQLMZJMQAUSPIT-OWUOPABMSA-N 472.754 7.577 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NC[C@@H](O)CNc1c2c(nc3cc(Cl)ccc13)CCCC2 299867304 QCXDJUMPSGXJCM-MSOLQXFVSA-N 494.126 5.370 50 1 JKGF Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587320639 GCXGLXGGEOBGRP-JTHBVZDNSA-N 486.293 5.397 50 1 JKGF N#CCCn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587329105 XDJXZFUUTIBJKS-BDYUSTAISA-N 474.919 5.893 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)n1 587373150 GXZPALCFLZSMQE-JYFHCDHNSA-N 496.991 6.197 50 1 JKGF O=C(Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 587547254 ZMOSBHRMJHGTGL-CUBQBAPOSA-N 485.923 5.740 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587687843 ISSPOIMXYOBQSK-ZLOXQWCVSA-N 496.251 6.666 50 1 JKGF CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3cc(F)ccc3F)cs2)cc(C(C)(C)C)c1O 587921798 ZWPDXKMDWPKYCQ-SXGWCWSVSA-N 452.570 7.453 50 1 JKGF C[C@](O)(CSc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857578464 DQIJLZZIJPYSAW-INIZCTEOSA-N 497.429 6.724 50 1 JKGF CC1=CCC(=C(C)C)C[C@@]2(O)C(=O)c3cc(cc(O)c3C(=O)[C@]2(C)Cl)OC(C)(C)[C@@H](Cl)CC1 2356716505 OGKULKCQQIVNDI-YMSRPXOMSA-N 495.443 6.121 50 1 JKGF CCOC(=O)[C@@H]1C(/C=C(\O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802405 LREMCCGOSRYIOI-UGVYFQEVSA-N 454.448 5.820 50 1 JKGF Cc1ccc(N)cc1Nc1c2ccccc2nc2c(OCCN(CCCl)CCCl)cccc12 44032130 HVGPLFUCZHGRMN-UHFFFAOYSA-N 483.443 6.181 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587319429 BENJVBNDVMAFKT-DXHOUVOYSA-N 489.768 6.531 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319703 CRZVCBDMEPOEPG-DXHOUVOYSA-N 471.322 5.578 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 587543340 KIFOHFMBZUYBML-BVAGGSTKSA-N 460.917 5.291 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)n1 587609095 BOZMQDNDUXKLSP-BWKNWUBXSA-N 480.973 5.661 50 1 JKGF Fc1cccc2c1[C@H](c1ccc(Br)c(F)c1CBr)N1CCC[C@H]1C2 963101620 LKXQYIFWUXJOEQ-BUXKBTBVSA-N 457.156 5.732 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 2356410414 KZOBOICRKKYGAQ-HBJXXWBWSA-N 452.679 7.045 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1cccc(Cl)c1 13675531 MCFKQWMZMTUIAE-QHCPKHFHSA-N 497.426 6.285 50 1 JKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccc(C(F)(F)F)cc1)OO2 64454108 FWDMCTHWSXDGIK-MMTWIKPJSA-N 469.503 7.175 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1ccc(C(F)(F)F)cc1 84587642 SATSVPAVQNGNHE-MUXKCCDJSA-N 468.504 5.498 50 1 JKGF Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84707740 BINZQBBZLCOUIP-XMMPIXPASA-N 484.003 5.960 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C#N)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933835 UAKKCXUZDUMBMU-HURDLCFYSA-N 496.611 5.358 50 1 JKGF C[C@@H]1[C@H]2C3=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 100912995 LDDZXBTYKWMMPY-NRWBZTABSA-N 491.672 6.146 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057265 UXHOVLMGZXEWDH-WOJGMQOQSA-N 478.383 6.043 50 1 JKGF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1 587196293 SCNOSMALBZFUPO-UHFFFAOYSA-N 467.467 8.369 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587322788 OSXMFQZKGSGNOV-IRLDBZIGSA-N 461.714 5.834 50 1 JKGF Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1Cl 587333172 MHVHGGVMDNRTMV-GMAHTHKFSA-N 493.731 6.282 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)O2 587382912 PQRDPJAIMCPNBQ-QHCPKHFHSA-N 462.899 6.103 50 1 JKGF O=C1C[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507509 MPAOFXXSHYKZRX-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1(c2ccccc2)CC1 587537410 FDKNUUQPVXCIGJ-GBXCKJPGSA-N 451.316 5.219 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1C(F)(F)F 587550166 UCBMLFBPSSSGJN-GHTZIAJQSA-N 479.248 5.663 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558163 QUUFXOLUUGRHRP-PMAPCBKXSA-N 493.275 5.536 50 1 JKGF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl 587686752 XDKWMJJPHBTSJC-YEJXKQKISA-N 456.783 5.402 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(Br)Br)N1 587850407 YVJWODSLNUHMQH-ANRSDYALSA-N 498.053 5.543 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2c(-c3ccc(C)cc3)noc2C)N1 962946348 LOCJVQFMNFGXDZ-IQGLISFBSA-N 464.407 6.003 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc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c1cc(C2CCC3(CC2)CCC2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1 95582212 PZCHRBMHPIHHOB-UHFFFAOYSA-N 481.677 5.731 50 1 JKGF C/C(C=O)=C\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 255203189 CQYCAQYQKRBNHY-HPCMVBPFSA-N 452.679 6.613 50 1 JKGF CC[C@@H](C)Sc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135404 HYGBJLNYUIUASU-QRWLVFNGSA-N 472.445 7.094 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1Br)([C@@H](C)Br)CC2=O 587455590 DLOPARAEGIABNO-MPBGBICISA-N 468.185 5.751 50 1 JKGF Cn1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl 587499297 SFZYOTQEXCEFBZ-HXUWFJFHSA-N 475.199 5.556 50 1 JKGF O=Cc1ccc(OCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587566873 ZNVLSKGSNFFNGU-UHFFFAOYSA-N 471.245 6.417 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)NCC2 962928083 GMRCVCJSFDUZEP-ILBGXUMGSA-N 483.837 5.567 50 1 JKGF O=C1c2ccccc2[C@]2(c3cc(CBr)ccc31)c1c(F)cccc1C[C@@H]1CCCN12 963113325 SYKLIBDIIKEYRB-QYBDOPJKSA-N 462.362 5.577 50 1 JKGF CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O 2356336290 KZMOSVHCAINXLS-NWIJJMLLSA-N 488.709 5.409 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@]2(CO1)[C@@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356535451 AIKJBFPXVYAIKI-ZRJFKUPHSA-N 470.694 6.406 50 1 JKGF CC[C@@H](CC[C@@H](C)[C@H]1CC[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)C(C)C 195753854 TZWRPXXRQJDCPG-SFMQBYDBSA-N 488.917 9.964 50 1 JKGF O=C(N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O)OCc1ccccc1 587202474 IOWCQSMCYWOAGH-OAHLLOKOSA-N 465.400 5.142 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 587328890 WIKJYXLHZIJLRE-AHWVRZQESA-N 465.908 5.151 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 587539653 XCXVPGXSANZVFR-RCZVLFRGSA-N 491.341 5.138 50 1 JKGF CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587542017 FGCYSZKYDVKGJO-QFQXNSOFSA-N 465.933 5.473 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 587671739 AKQNJNGRXWYBCE-YUNKPMOVSA-N 480.175 5.416 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 587681755 ALIIOYFEUWIFHN-ZRNGKTOUSA-N 458.158 5.445 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)s2)N1 587848672 PGETXYQIQJQIEQ-GLEZIHRCSA-N 453.602 5.476 50 1 JKGF CO[C@@H](C)COC1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 587950939 FIBMDBYNAHEFMS-UNXYVOJBSA-N 493.336 7.061 50 1 JKGF COc1c(F)cccc1[C@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955861 LSDVLAHGPOVZLK-NRFANRHFSA-N 488.319 5.143 50 1 JKGF COC[C@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCCCl 2356324455 IVCAHXJIJIGCFU-YADHBBJMSA-N 452.507 5.926 50 1 JKGF Cc1ccc2c(c1)Cc1c(C(=O)NNc3ccc([N+](=O)[O-])cc3)nn(-c3ccc(Cl)cc3Cl)c1-2 35075500 HNAYONHCMBWLRY-UHFFFAOYSA-N 494.338 5.724 50 1 JKGF CCCCCCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12 49888651 DRGRQZKZSAELKB-SOYKGTTHSA-N 492.752 7.236 50 1 JKGF Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587095141 AWMMWWDMZKJGDN-UHFFFAOYSA-N 482.194 7.251 50 1 JKGF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](Br)C2 587320802 BGRFHMYSEIDXAH-FIXSFTCYSA-N 469.306 5.114 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587324034 VPVQRXOXORSUCH-UPVQGACJSA-N 487.321 5.198 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 587324520 ZVOCAUJJPDUBGX-ZCYQVOJMSA-N 499.332 5.342 50 1 JKGF O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379299 XVKFXCVGAGRBTQ-XJABCFGWSA-N 491.334 5.085 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669171 AVYVOCZWPOHAFF-OELQTJDKSA-N 498.234 5.498 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 587674026 SBNPSWHPEUNHKG-XYZCENFISA-N 482.018 6.068 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682165 BPQYSQBHYQRPPV-JBEBIEQOSA-N 456.786 6.176 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587687842 ISSPOIMXYOBQSK-ZAMGYDSWSA-N 496.251 6.666 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 587689554 UMDYAUSQAZDFDD-DOZIZSCSSA-N 458.762 5.473 50 1 JKGF Cc1sc2c(c1C)CCN[C@]2(COC(=O)Cc1ccc(CBr)cc1)c1ccccc1 963016181 XPZPXIXODILXEH-RUZDIDTESA-N 484.459 5.435 50 1 JKGF C[C@@]12CCSSC[C@@H](NC(=N)N)CC[C@H]3CSSCC[C@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356447705 AVVXEKOXHWSLSM-IPALTYGGSA-N 497.821 5.497 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356694950 ODNLAFZGXZAPKY-MNHJHTAISA-N 456.711 6.944 50 1 JKGF O=C(CCl)Nc1ccccc1Oc1cccc(-c2c(O)[nH]c3cc(Cl)ccc3c2=O)c1 13801575 NBROMBBAOJLKSU-UHFFFAOYSA-N 455.297 5.524 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Br)cc1 84619056 OBTZBPSCLOQDLR-AFUMVMLFSA-N 479.403 5.241 50 1 JKGF CC(C)(C)c1ccc(NC(=O)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 299827695 QNGXLCKPEGGYHG-UHFFFAOYSA-N 496.655 6.467 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587321324 DAQYSUTVUMUXNJ-DENIHFKCSA-N 486.153 6.896 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccccc3c2)N1 587672855 INQLBSFBHHDIAK-YEJXKQKISA-N 463.188 5.914 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 587673553 OEUQCTXBRICHRQ-IVZQSRNASA-N 496.262 5.751 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2)N1 587673823 QOBKWMXQSVXLEA-BMLIUANNSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 587673948 RVFXCFJFZRDXLN-WNSKOXEYSA-N 495.274 6.809 50 1 JKGF CC(C)Oc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674534 XLULKNGORRSLDT-RNODOKPDSA-N 471.208 5.548 50 1 JKGF FC(F)(F)Oc1ccc([C@@]2(CCCCCCl)c3ccsc3CCN2Cc2cccnc2)cc1 963002386 ZUEDWCRSXIRBCZ-DEOSSOPVSA-N 495.010 7.143 50 1 JKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 963188099 LQXQKURNWPRZDM-GMAHTHKFSA-N 496.312 6.232 50 1 JKGF ClCCC[C@]1(c2ccccc2Cl)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831529 GZFZHCKMGHHPQX-HHHXNRCGSA-N 465.424 6.809 50 1 JKGF O=C(c1cccc(F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72178201 QUNPTORORHGSNW-WCWDXBQESA-N 478.223 6.295 50 1 JKGF C[C@H]1C(=O)OC(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 238760842 PAWRHQGDEKISOW-HCXGXNEWSA-N 472.710 6.540 50 1 JKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 587373104 LDVJSPCGXPMWJL-RCZVLFRGSA-N 497.385 6.704 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)CC2=O 587461759 SSZUGVULHWYHOW-GDJIYFAZSA-N 496.003 5.703 50 1 JKGF CCCc1c(O)ccc2c1O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)CC2=O 587463304 WIJTVOZDSFYXBE-CYBMUJFWSA-N 496.064 5.362 50 1 JKGF CCOc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673429 MRDLXVMYAHQOJC-CWTRNNRKSA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 587681767 ANKHYHRXTMVHFQ-WNSKOXEYSA-N 477.805 5.444 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 587686293 CDXSSYUCMFOSKY-IVCQMTBJSA-N 489.860 6.266 50 1 JKGF CC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NNC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356385478 ZIESZGFVAHAKGT-NLWIXHTISA-N 467.742 7.464 50 1 JKGF CC(C)=CCCC(C)=CC[C@H](O)C=C(C)CC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356768036 JEBJCDBLMSBFNC-XQVPNCLKSA-N 474.726 6.612 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1ccc(C(F)(F)F)cc1 29126152 XJXBIDYXZQLKIT-KVSWJAHQSA-N 478.854 5.416 50 1 JKGF CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43327990 HHPMHXYQGAXKTP-HQFNZAIZSA-N 463.014 6.222 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1c[nH]c2ccccc12 64447705 FCRUGXQDBKZMOE-HSZRJFAPSA-N 452.564 6.147 50 1 JKGF CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 299812429 NUVDETAVXDNNIF-MXTJOOAUSA-N 452.639 6.203 50 1 JKGF CC[C@H](C)Sc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135403 HYGBJLNYUIUASU-MGPUTAFESA-N 472.445 7.094 50 1 JKGF CN(CCO)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587193290 XJOSYRXASRLALG-UHFFFAOYSA-N 472.277 6.078 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587323691 MHYXDRUDOQMXGG-GMAHTHKFSA-N 475.741 6.177 50 1 JKGF CSc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1NC(C)=O 587372168 DYLQANKEBHLHKH-ZCYQVOJMSA-N 485.964 5.705 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537831 KTIXTSMNUFSSMU-STUVRUMRSA-N 494.341 5.230 50 1 JKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670211 JDBYNZRBVZJJIY-CWVNLOTRSA-N 455.209 5.786 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc3ccccc23)N1 587671772 ANPKERLUCZENIH-LRTDBIEQSA-N 463.188 5.914 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 587711484 KSYHUNPMCSJATF-HUTHGQBESA-N 499.115 5.919 50 1 JKGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@@]21c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961776913 AKLANRSPSGGXQE-MUUNZHRXSA-N 460.574 5.174 50 1 JKGF Fc1cc(Br)c(F)c([C@@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)c1 963117273 YEWJWVPGYJLWSB-DJJJIMSYSA-N 475.146 5.525 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C 2356447761 CQYCAQYQKRBNHY-NPFMYEKISA-N 452.679 6.613 50 1 JKGF C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 58538127 WATYTHBCFKCYKG-LDQCRRGLSA-N 480.604 7.659 50 1 JKGF CCOP(=O)(OCC)[C@@](C)(N)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95581946 OOZGSTWWTYRRDL-HHHXNRCGSA-N 484.537 5.702 50 1 JKGF COc1ccc2nc(Oc3ccc(C)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103187810 ZSSIFQVGZUHGFC-XMMPIXPASA-N 453.498 5.159 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1Br)([C@H](C)Br)CC2=O 587455592 DLOPARAEGIABNO-YUNKPMOVSA-N 468.185 5.751 50 1 JKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587498370 NLOLWCHILZTBJH-NDEPHWFRSA-N 477.988 5.859 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670478 KYMLVARSYFREGZ-LIBAHTEVSA-N 461.600 5.803 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671475 SDXITHODBRYEAL-OCCQLPPTSA-N 471.208 5.548 50 1 JKGF Brc1ccc2c(c1)[C@]1(c3ccsc3CCN1Cc1ccco1)[C@H](Br)C2 962700111 BRHUKMWANNBZFE-WOJBJXKFSA-N 479.237 5.725 50 1 JKGF CCCc1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963185073 KDMVPWCTGXPZNB-OXQOHEQNSA-N 490.747 5.549 50 1 JKGF CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 137752707 NUVDETAVXDNNIF-IUVZFPCRSA-N 452.639 6.203 50 1 JKGF O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587089236 MPGSRIGAXQNREJ-UHFFFAOYSA-N 488.225 6.303 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(COc2ccccc2)[C@H]1c1ccc(F)cc1 587321118 IJWYSLOTTLXLMK-GMAHTHKFSA-N 457.295 5.103 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)CC2=O 587456547 QQLXCVHBQCYLIS-RPBOFIJWSA-N 485.805 6.995 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC(F)(F)F)c1)CC2=O 587464242 MEURXANSIWUWJC-IBGZPJMESA-N 459.258 5.499 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 587707990 ZDQPQEATNVPKRP-APEXYLGGSA-N 464.684 5.370 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(c3ccccc3C2=O)c2c(F)cccc2C[C@@H]2CCCN21 963106122 QRJMTNRHBQZMHA-LGNVEDGCSA-N 474.963 5.248 50 1 JKGF O=C(N/N=C/c1c(-c2cc3ccccc3oc2=O)[nH]c2ccccc12)c1cccc(Br)c1 1772592355 NDYYKTJIBXOAQL-MZJWZYIUSA-N 486.325 5.468 50 1 JKGF O=[N+]([O-])c1ccc(S[C@H]2[C@H]3C[C@@H](Cl)[C@@H]2c2c(-c4ccccc4)[nH]c(-c4ccccc4)c23)cc1 6040970 SNMIAKMXWHCOED-YBMQWUKTSA-N 472.997 7.610 50 1 JKGF COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(CCl)c2)cc1 96271934 QCGJHTNANNMGKX-DEOSSOPVSA-N 481.976 5.270 50 1 JKGF Cl[C@H](Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccc(I)cc1 96272486 KYMAYNPDUQDNMU-QGZVFWFLSA-N 475.721 5.155 50 1 JKGF Cc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98082370 ZAICSDQBZJWOLY-XMMPIXPASA-N 451.526 5.786 50 1 JKGF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 238734331 ZIESZGFVAHAKGT-KVFDKFOPSA-N 467.742 7.464 50 1 JKGF Cc1cc(Cl)cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587053800 ADWQJBQFRQABRM-SXGWCWSVSA-N 455.776 7.303 50 1 JKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325976 IZJIGEHGGVYSLO-XCZPVHLTSA-N 495.978 6.543 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587684498 KPSDSCSUZHDOAF-MCMMXHMISA-N 467.810 5.589 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587689218 QXXMHXCPAMSNDX-FTWIIGPWSA-N 489.212 5.526 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 587689755 VSSKTFGHZYIDAM-MCMMXHMISA-N 462.794 5.407 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 587718356 NSJYCZBUNNVZCI-MGNBDDOMSA-N 479.134 5.362 50 1 JKGF CSc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587848481 WQIUVPIDPVPILM-ADLMAVQZSA-N 459.222 5.483 50 1 JKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(C2CCCCC2)N1 963186607 ULAZFANEDQBTIX-GUYCJALGSA-N 454.714 5.128 50 1 JKGF C[C@@](O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857575757 RXMKMVUEVXKWCZ-MRXNPFEDSA-N 481.361 6.011 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCCCc2ccccc2)cc(C(F)(F)F)c1 1857650745 OLDVZTLDFSAFGB-UHFFFAOYSA-N 468.947 5.686 50 1 JKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 1857744910 KTVBVTNYECVIHP-XBRGCQBRSA-N 462.703 5.200 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc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c1cc(O)nc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 586966531 HIILPFOQUHQCOT-UHFFFAOYSA-N 479.250 5.476 50 1 JKGF C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327021 ODSSDNMDBIEUSB-NVQXNPDNSA-N 479.891 5.729 50 1 JKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587410229 WFFKEPXSCAHPIZ-PMERELPUSA-N 493.587 6.276 50 1 JKGF O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 587498478 HRMHSVNSDQWRTP-HXUWFJFHSA-N 495.167 5.450 50 1 JKGF O=C1C[C@](CBr)(c2ccc(F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510776 YGNXEYMFRCRWBT-FQEVSTJZSA-N 457.261 5.979 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587729234 CLTXBXBBUGIUJJ-ZAMGYDSWSA-N 479.796 6.151 50 1 JKGF Clc1ccc([C@@]2(CBr)NCCc3cccc(Cl)c32)c(Br)c1 963390036 DWYRGEWGYHHRBU-MRXNPFEDSA-N 450.001 5.540 50 1 JKGF C[C@H](CC[C@@H]1OOC(C)(C)O1)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@@]3(C)CC[C@]12C 2356429588 ASKGIBDPFYQTPN-ZXSRMJMDSA-N 474.726 7.650 50 1 JKGF CCCCCC=CCC=CCCCCCCC=C(C=O)CCCCCCCCCCCCC 2356700042 RXSFHLYRKNHFIM-UHFFFAOYSA-N 458.815 11.236 50 1 JKGF CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(Cl)=N\Nc1ccc(Br)cc1 82154163 ZKFJDTORQLLPTK-JWLJPXRISA-N 492.588 5.291 50 1 JKGF CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 95808488 MUZBJNZXVWHXHF-OVVQPSECSA-N 482.581 5.169 50 1 JKGF O=C(O)c1cc2[nH]c(/C=C/CBr)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586972962 DHBGOKOBRHTWJW-OWOJBTEDSA-N 491.297 5.253 50 1 JKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325403 DVTWCJPPADXXGW-VVZHRXSXSA-N 491.987 5.807 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)F)cc2)[C@H]1c1ccc(F)cc1 587329143 KQDPYGFKPXIFBF-NZQKXSOJSA-N 493.275 5.782 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587421750 RLLGUDJWFHBLQC-BBATYDOGSA-N 496.106 6.059 50 1 JKGF O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@@H]1CC=C[C@H]31 653840613 LINVDAPEIYDTLW-JXDPUVANSA-N 482.989 5.413 50 1 JKGF C/C(=C\C(=O)O)c1ccc(N(CC(C)C)CC(C)C)c(NC(=O)N/N=C/c2ccc(Cl)cc2)c1 1857614484 YSOSNBSYWRVRGK-JHSGPFQYSA-N 485.028 6.102 50 1 JKGF Cc1cc(/C=C/C(=O)c2cccs2)cc2c1OC(N)=C(C#N)[C@@H]2c1c(C)[nH]c2ccccc12 1857632954 RXTBPJHXCVNUCM-YHZGQTRVSA-N 451.551 5.961 50 1 JKGF N#C/C(=C\c1ccccc1OCCN1CCN(c2ccccc2)CC1)c1noc2ccccc12 40554657 QHAZJDXQOWAJDG-BSYVCWPDSA-N 450.542 5.093 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587084414 LZIZDIRQEHMFDD-UHFFFAOYSA-N 469.060 7.352 50 1 JKGF C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587191391 OKAAZGGGZVWUSL-SECBINFHSA-N 468.245 6.994 50 1 JKGF COc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587320645 GCZRQJQDNQATLG-UKILVPOCSA-N 485.349 5.806 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 587323236 QKDDJEKCVRHLIY-ILBGXUMGSA-N 467.334 5.669 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 587325294 DHTNEOCRQIXRMT-ZCYQVOJMSA-N 466.896 5.420 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587546273 VKVJBVPSQBUEII-QQIMBVITSA-N 477.944 5.936 50 1 JKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682839 DTDXAUNFPXWHIW-OYLFLEFRSA-N 496.848 5.836 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Cl)N1 587842414 DONKKHNJNMAKPD-ANRSDYALSA-N 453.602 5.476 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1N=C=S 587891689 LXIWPMNARUOVTB-UHFFFAOYSA-N 459.276 5.337 50 1 JKGF COc1cccc([C@H](C)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587933225 ZSWWEYMXRLQGEZ-SNVBAGLBSA-N 471.289 7.338 50 1 JKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(CBr)c1ccc(C(F)(F)F)cc1 962702163 MBHMTCOTPWPFQW-OXQOHEQNSA-N 474.361 5.847 50 1 JKGF N#CC(=C(/N)Sc1ccc2ccccc2c1N)/C(C#N)=C(\N)Sc1ccc2ccccc2c1N 34802600 LHQOQSVTXMEJSI-FQHZWJPGSA-N 480.622 5.430 50 1 JKGF CCc1ccc(C(=O)N(N(SOc2ccccc2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293585 AGABRYVTPSHODU-UHFFFAOYSA-N 476.642 6.806 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587009776 RYFBFXLGOIHKTM-INIZCTEOSA-N 488.819 5.721 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587339325 YUVGYXZOTFXVFO-DENIHFKCSA-N 481.239 5.598 50 1 JKGF COc1cccc(-c2cc(-c3ccc(CCBr)cc3)nc3c2oc2ccccc23)c1 587361482 UVJVKQVIKOPMFH-UHFFFAOYSA-N 458.355 7.261 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)O2 587373602 MHESLYBKRMYGDW-FYSMJZIKSA-N 452.348 6.014 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 587541875 DQBMERHAFJUEHF-IRPSRAIASA-N 481.935 6.636 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587670954 MYSDALQEKMJDEU-CLUVUEOHSA-N 457.181 5.158 50 1 JKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587687837 IRGMXGNDEUBILS-QENPMARHSA-N 457.815 5.231 50 1 JKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1[C@]1(C)c3ccccc3CCN1[C@H](C#N)c1ccccc1)OCO2 963197523 ZISRDRLJDDPWJK-WPKWZQBGSA-N 487.987 5.368 50 1 JKGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(Cl)cc1Cl 1857607402 HLULTZRXKIQNBX-UONOGXRCSA-N 476.172 5.484 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2cccc(F)c2)C1=O 1857772829 IZCISLPSYOKKLQ-NRFANRHFSA-N 466.553 5.772 50 1 JKGF CC(=O)N=C1C=CC(=C/C=C2/Sc3ccccc3N2CCCCI)C=C1 377838561 HUIXVZTYGFKDJT-JXRILWABSA-N 476.383 5.695 50 1 JKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587416888 FZRUMKHSLJOLER-YIXXDRMTSA-N 465.977 5.247 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)CC2=O 587467053 PSTWVFSMLZSQBK-PZJWPPBQSA-N 455.751 5.867 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558162 QUUFXOLUUGRHRP-IUKKYPGJSA-N 493.275 5.536 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 587711306 JURDEGWYLREMII-ADLMAVQZSA-N 459.306 5.599 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc(I)cc(CBr)c1 587917083 ABDQTSFZTILQTH-UHFFFAOYSA-N 461.524 5.248 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1/C=C/[C@@](C)(O)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 147040862 BJRGCOCQXMDCDB-NKKWLVIOSA-N 464.282 5.364 50 1 JKGF CCCCCCCCOc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br 587087307 OEQLHNRAXAXISV-QGZVFWFLSA-N 478.244 7.249 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183853 JRNIIKVJSGUZMO-DAXSKMNVSA-N 472.220 6.995 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CCl)cc2)[C@H]1c1ccc(F)cc1 587325214 CWAVIIQJDJYFSX-XCZPVHLTSA-N 458.916 6.573 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br 587325790 ZGEISMAKSFNIFD-UGYGMNTHSA-N 459.355 5.849 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587414211 LRXFACIWTCYTFG-VUSMEJPJSA-N 473.363 5.073 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)CC2=O 587455568 CVDZJYILFIQSDZ-SGANQWHYSA-N 489.406 5.940 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1Cl 587554013 CIQKFPNAZYBJNJ-RXVVDRJESA-N 463.686 5.437 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587669202 BHJGHIJZLJBXRG-CRTZDJKQSA-N 457.181 5.158 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 587683263 WBXZKEKOJHZLNT-PWJLMRLQSA-N 483.006 5.416 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)s2)N1 587846155 GXYMPXWNRKOTTC-BTDLBPIBSA-N 481.656 6.209 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3sccc3c2)N1 587855336 FWGLSWJIPWDDKH-NSPYISDASA-N 469.217 5.976 50 1 JKGF CN(C)C(=O)c1ccc2c(c1)[C@](CCl)(c1c(-c3cccs3)[nH]c3ccccc13)NCC2 962925549 NSFHODSDNNSTRR-RUZDIDTESA-N 450.007 5.226 50 1 JKGF C[C@@H](OC(=O)NCCCCl)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O 29043441 FNCGOKWVESVXSF-VLIAUNLRSA-N 473.960 5.420 50 1 JKGF C=CCOC(=O)C1=C(CCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C)NC2=[N+]3[C@H]1CC[C@@H]3C[C@H](C)N2 195336655 JZCRNGOZNWWZBA-GNXKAVGDSA-O 490.785 5.215 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 586902253 WVRCRJPGZRDQHY-UHFFFAOYSA-N 489.263 7.643 50 1 JKGF COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F 587337884 WEYSKWQANUXWRQ-NZQKXSOJSA-N 475.285 5.328 50 1 JKGF Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 587857180 ZZZHPXKRYLPHTG-FIKIJFGZSA-N 482.850 5.777 50 1 JKGF COc1ccc2c(c1OC)[C@]1([C@@H](Cl)CCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680124 SBPONDHBGIYXIQ-CYFREDJKSA-N 481.942 6.044 50 1 JKGF CC1(C)C(=O)C(C#N)=C[C@]2(C)c3cc(O)c(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3CC[C@@H]12 1857766454 KPCLJJIYRIMPFV-SQJMNOBHSA-N 484.474 5.422 50 1 JKGF CCCCCCCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911579383 WLMLTJHJUPFDMM-UHFFFAOYSA-O 461.650 8.482 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Cl)cc(Br)c2[nH]1 587009632 NWRDLJFARMSMFJ-INIZCTEOSA-N 466.166 5.099 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587320310 FHIZFNZPFWCOHQ-ZUIZJCIVSA-N 497.404 6.768 50 1 JKGF CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587321286 IQJGPHBRZDRSOJ-AGILITTLSA-N 491.353 5.147 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)c(Cl)c1 587539335 VOYGZSLEOPJHBG-KNQAVFIVSA-N 475.722 5.522 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Br)c(F)c1 587559830 ZIUZGMFAPRBUKY-RXVVDRJESA-N 463.686 5.390 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F 587725877 SJTRKFCFDDHDSP-JBEBIEQOSA-N 493.823 6.460 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587737410 ZQHUWCZVLOFRCJ-FVINQWEUSA-N 499.149 5.006 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 587858097 XXBVFRNPKIBSOL-LUXYVKSOSA-N 478.818 5.534 50 1 JKGF Fc1c([C@@H]2NCCc3cccc(-c4ccccc4)c32)ccc(Br)c1CBr 962661479 JKRSIBRPSDMDIN-QFIPXVFZSA-N 475.199 6.385 50 1 JKGF CC(=CC[C@@H](Br)C(C)=CC=NOCc1c(F)c(F)c(F)c(F)c1F)CCl 2356439876 GGQZERPDTYNYRD-GFCCVEGCSA-N 460.668 6.170 50 1 JKGF CC(C)=CCC[C@H](C)C=C[C@H](O)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356680272 BIXXDPOEXJMBRN-CUGMZXEJSA-N 474.726 6.468 50 1 JKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356791087 GJYKQVNCEWWQDZ-CCUFPCEUSA-N 487.478 7.308 50 1 JKGF CC1(C)CC[C@]2(C#N)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 38145622 VKTPMWHWKXESHY-OVAQGDDHSA-N 472.673 6.730 50 1 JKGF CO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40685652 KESSVMVGVYXMGU-MHRAXWRKSA-N 460.477 5.265 50 1 JKGF CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169339045 HHPMHXYQGAXKTP-VDULTDQXSA-N 463.014 6.222 50 1 JKGF COc1ccc(N[C@@]2(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 169358987 AWDHRXBPSMEKSE-XXOUDQIQSA-N 457.489 5.248 50 1 JKGF CCCCSc1nc(Nc2cccc(O)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 299861507 IHSVKLJWXGPPOW-HXUWFJFHSA-N 453.999 6.148 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 587541651 CORUVKSBFZCJRU-BHBYDHKZSA-N 499.994 6.384 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccccc12)[C@H](Cl)c1ccccc1 587543133 JDWXVBOQHJQKSR-OYFGVDPJSA-N 481.935 6.711 50 1 JKGF O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543181 JUJARCMEKLOXNL-LITSAYRRSA-N 499.950 5.865 50 1 JKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674581 XQUUHQXTMPHSCV-JEOXALJRSA-N 491.626 5.731 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2)N1 587677084 GJNKMWCVBLIAGK-VOJFVSQTSA-N 461.600 5.757 50 1 JKGF C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689521 TZJRDAADQXKRBH-SZWQSWPASA-N 489.212 5.526 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 587857182 ZZZHPXKRYLPHTG-WIUDPPPLSA-N 482.850 5.777 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCCBr)c(F)c1 587894330 GAOYLTJRQPLOGA-UHFFFAOYSA-N 457.170 5.170 50 1 JKGF Fc1cc(CBr)cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962634396 HLXLOGJQFCBEEE-ZCYQVOJMSA-N 451.383 5.557 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O 2356467810 GKUSRUNEHWJUSA-MOWFDBMZSA-N 472.710 7.126 50 1 JKGF CC(C)[C@@H](C)[C@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356656255 GMTWAJWKMZXCCV-NKEYXKRBSA-N 477.129 5.858 50 1 JKGF C[C@H]1C[C@]2(CC(C)(C)OO2)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@]46CC[C@]3(C)[C@H]12 2356686870 WJZVKNGHNMFBJT-SEJLKUKWSA-N 470.694 6.856 50 1 JKGF C[C@](Cl)(C=C[C@H](Br)[C@@](C)(Cl)[C@H](Br)CCl)CBr 2356701000 PHKONGFYKSGPSW-QCLAVDOMSA-N 480.293 5.698 50 1 JKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC 1652651 HVXXVNCXGUXSCQ-AWEZNQCLSA-N 495.919 5.238 50 1 JKGF CC1(C)O[C@](C)([C@@H]2CC[C@@](C)(N=C=S)[C@@H]3CC[C@](C)(O)[C@@H](N=C=S)[C@@H]23)CC[C@H]1Cl 138330556 MSRJKIPSWOKGIA-CGYKTZFGSA-N 457.105 5.462 50 1 JKGF FC(F)(F)c1ccn(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 587118901 SEHOJHZYOKAQRB-UHFFFAOYSA-N 485.198 6.441 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C(c4ccccc4)c4ccccc4)c1C)[C@@H](C2)C3=O 587418242 SXWLYKLTNUWOQX-SUYBVONHSA-N 498.022 6.633 50 1 JKGF O=C1C[C@@](CBr)(c2cccc(I)c2)Oc2c1ccc1c2CCCC1 587504743 KYFYUAQJEBUCMY-HXUWFJFHSA-N 497.170 5.426 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)(F)F)c1 587556965 PNQKORMCGYCKQD-RXVVDRJESA-N 495.247 5.543 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587683860 IGKBKPKNEVECLJ-MCMMXHMISA-N 460.778 5.738 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 587725534 QTMAFOQZMQTUOW-ULMSCDGUSA-N 493.617 6.136 50 1 JKGF CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962668832 PWBIOBBALCCUAI-KCWPFWIISA-N 462.666 5.807 50 1 JKGF Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 13151782 YCLFNFMIGLHWRQ-ZJTOVXPGSA-N 453.347 5.307 50 1 JKGF CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@]31OO2 44246947 LZEZMYBERCJAAF-GNESBSBFSA-N 467.562 5.967 50 1 JKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](C#N)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 102999754 XHCQQXDIZNDAGY-QGZQWWMZSA-N 478.383 5.238 50 1 JKGF C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338390 PUYATAHQQFXOMB-IRLDBZIGSA-N 474.422 7.463 50 1 JKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 587458452 JDLFAXCIRJKLPW-WQIZZMQYSA-N 489.955 5.364 50 1 JKGF C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569330 PZNAIZFTIDJCSB-TXTKFYIRSA-N 475.285 5.397 50 1 JKGF CSc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587843765 JIJOOHWGBZGAHC-VOJFVSQTSA-N 459.222 5.483 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)s2)N1 587850165 XSLANEANZUGLHT-VXJOIVPMSA-N 498.053 5.585 50 1 JKGF O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc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c1ccc(C2=NN(C(=O)[C@H](C)Br)[C@H](c3c(Cl)cccc3Cl)C2)cc1OC 43074302 RPXNAGLQQNAKMU-ZBEGNZNMSA-N 486.193 5.472 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(-c4ccccc4)cc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 43532449 RYOMAGVHKYFYEE-CXGWAZCASA-N 478.629 6.416 50 1 JKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 95614510 YKSBFBSHBBLBBW-KWNCXWPFSA-N 495.012 5.559 50 1 JKGF CN(C)c1ccc(/C=C/C(=N\NC(=O)Nc2ccc(Br)cc2)c2ccccc2O)cc1 103216000 DHLWPCGSSAHNFX-RKOIMNKKSA-N 479.378 5.460 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419829 ZUVLRACMUOIYGV-CRRLPVGBSA-N 497.473 6.951 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1Cl 587554012 CIQKFPNAZYBJNJ-NQIIRXRSSA-N 463.686 5.437 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587669623 FNYBXQZUDCIIGB-JGRMJRGVSA-N 487.207 5.167 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587686982 YFOSONXZLSHVJY-IPQOISQHSA-N 465.794 5.225 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(F)c2F)N1 587719348 PTGRPQKNGLSVAQ-CQLKUDPESA-N 467.098 5.178 50 1 JKGF FC(F)Oc1ccc([C@@]2(CBr)NCCc3cccc(Cl)c32)c(OC(F)F)c1 963391294 SDCVILGOWSFAEU-GOSISDBHSA-N 468.672 5.327 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356449454 MRSCOQQAXLCERG-BSLQLIBWSA-N 470.738 7.353 50 1 JKGF CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)C[C@H](Br)P(=O)(O)O 473137677 ZHWWGWUYVZSXFU-AWTIPJNISA-N 485.396 5.437 50 1 JKGF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586906365 BXXRINVYNNETJO-MRVPVSSYSA-N 471.245 6.564 50 1 JKGF Cc1csc([C@](O)(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(F)(F)F)n1 587094718 UHLRNRNTXLENNR-CYBMUJFWSA-N 453.380 5.978 50 1 JKGF CC(C)(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587322419 MINXDJTUBJZZRW-ZEQKJWHPSA-N 483.377 6.478 50 1 JKGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587325759 HBELRPXAHCWXOB-SHQCIBLASA-N 479.935 5.644 50 1 JKGF COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C 587325852 HBZWTZYHEXNJQB-SHQCIBLASA-N 497.950 5.564 50 1 JKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(F)c(Cl)c4)c1C)[C@@H](C2)C3=O 587427345 SRVVGRDEJPFWLR-MHECFPHRSA-N 460.332 5.777 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)(C)C)cc1 587496558 DWTYQZZNRCFQIY-SSEXGKCCSA-N 476.060 7.370 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587538609 QAWLEKDBHNMVAH-DENIHFKCSA-N 475.722 5.306 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587686617 WBHFVYNFSORQRM-FPTDNZKUSA-N 460.778 5.473 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2csc(NC(=O)CCl)n2)c1 587897693 PMRPOYLPTKPTKG-UHFFFAOYSA-N 492.815 5.005 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1cccc(C(F)(F)F)c1)N(C)[C@@H](C)C2 962625688 FMRPXFZNKWYOJE-QMHKHESXSA-N 455.948 6.252 50 1 JKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(C2CCC2)N1C(=O)c1ccc(Cl)cc1 963020993 ODXRDEBRZIDQDQ-RDPSFJRHSA-N 457.357 5.207 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)C1)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356684087 JKAAEVULEKEQOP-MGSPEMMDSA-N 462.310 6.783 50 1 JKGF CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 35985532 SUXPQDFTDWDRSM-ISLYRVAYSA-N 487.064 5.080 50 1 JKGF Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 45321681 GHWZWISHABGHCN-DQEYMECFSA-N 480.347 6.029 50 1 JKGF CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 53294237 OONVLKOVKGRXFV-ZEQRLZLVSA-N 488.016 5.456 50 1 JKGF CC(=O)[C@@]1(OC(=O)CBr)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169302444 XDILHJATGHDWBB-USTFCYDESA-N 465.428 5.030 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321222 CRZATCPQJXOMLV-BGRXRSNCSA-N 452.953 6.711 50 1 JKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 587334535 OZIZAJDOMGBASN-GMAHTHKFSA-N 475.285 5.328 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587454701 ZTULJWIVCLWUBM-PPHZAIPVSA-N 494.012 5.504 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(Cl)c1 587538137 NTFITCUGGSDSED-NQIIRXRSSA-N 480.141 5.951 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC(C)C 587546784 XRBMYVNJBTVACC-JYFHCDHNSA-N 453.966 5.953 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 587686981 YFOSONXZLSHVJY-AMXDTQDGSA-N 465.794 5.225 50 1 JKGF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc(S(F)(F)(F)(F)F)c1 962624219 BGRCEIOXFCYSSS-CZUORRHYSA-N 477.373 6.239 50 1 JKGF CCCCCCCCCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772656123 CCHDLRUBAJWMBN-UHFFFAOYSA-N 460.445 7.778 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587323469 KJNJVIPLXFAQKS-IFMALSPDSA-N 461.714 5.787 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)O2 587371545 GQEWZUGEGXRPMH-HHHXNRCGSA-N 451.010 6.382 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 587380303 DDBOIGALIRUANX-QHCPKHFHSA-N 497.344 6.756 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587499809 PGYLQFICYPMRGU-DEOSSOPVSA-N 451.364 5.315 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 587543176 JSKGIFHDVSLOHT-LSYYVWMOSA-N 454.909 6.059 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Cl)c1 587559401 XCCJCZBZIZNDAT-RXVVDRJESA-N 463.686 5.437 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587686950 DQKBYDUJLNTMFD-ZAMGYDSWSA-N 496.251 6.666 50 1 JKGF O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@H]1CC=C[C@H]31 653840616 LINVDAPEIYDTLW-XTHTVVEISA-N 482.989 5.413 50 1 JKGF Oc1cc2cc([C@@]3(CCl)NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)ccc2[nH]1 962949486 FTGXTWAYBPYDCH-JOCHJYFZSA-N 450.888 5.026 50 1 JKGF CCO/C(O)=C1\C(CSc2ccc(Cl)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802489 QZNLLVOQVKZVFD-JSMIYBGHSA-N 492.950 7.293 50 1 JKGF CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)C/C=C(/C=O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 60275332 PRJYGULWSUVOHQ-FCDGLQLQSA-N 458.595 5.268 50 1 JKGF CC1=CC[C@H](C(C)C)[C@H]([C@@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O 195413466 UNKZYPANFYTNKX-JAHYEJHYSA-N 464.722 5.120 50 1 JKGF CCCCOc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319391 BBZTYGPZTNHUSU-AHWVRZQESA-N 499.376 6.360 50 1 JKGF COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O 587416707 CNBGVVUKUIZWLF-SETSBSEESA-N 480.947 6.432 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 587719710 QMMRVEPSYGBMFN-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1[C@H](C)CC[C@H](Cl)C1(C)C)C2=O 2356341058 FLJSRYLNOZSLJX-MKUWWDIISA-N 497.459 6.016 50 1 JKGF COC(=O)[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=CC=O)[C@@]3(C)CC[C@@H]12 2356672102 XCWQDUIKQDWONL-QSDDMECUSA-N 496.644 5.477 50 1 JKGF CCCCSc1nc(NCCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135186 GJWWKPZIJUCYJC-JOCHJYFZSA-N 466.054 6.353 50 1 JKGF C[C@@]1(c2ccc(NC(=O)CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325015 BNFKSXWEBGAJEB-ZCYQVOJMSA-N 453.897 5.373 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(CBr)cc21 587456049 JICKAPDPQCRXHU-SANMLTNESA-N 477.354 5.693 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2cc(Cl)ccc2o1 587538072 MYOALEVGPAGWCM-OFNKIYASSA-N 485.717 6.044 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CBr)cc1 587539540 WYYMWZXGKISHLQ-IGKIAQTJSA-N 487.349 6.193 50 1 JKGF Cc1cn(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 587539655 XCXVPGXSANZVFR-WIOPSUGQSA-N 491.341 5.138 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543056 INFDXQIDUGAMJX-PRNOATFWSA-N 499.950 5.863 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2cccc(Br)c2)N1 587679701 NITHGRYPENDCII-ZMZPIMSZSA-N 461.600 5.562 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C 587689019 ORCVZKMMAALMBM-AMXDTQDGSA-N 485.825 5.220 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689259 RFRYDRYMTBFKRF-SOHPYSCWSA-N 467.810 5.588 50 1 JKGF C[C@@]12CCSSC[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](C1CCCC1)[C@]42CC3=O 2356690266 QUBZYNIUKRPXNZ-ODQPUBSBSA-N 461.741 5.676 50 1 JKGF CC1=C(CCCCCCCCCCCCCCCCC2=C(C(=O)O)CC(=O)OC2=O)C(=O)OC1=O 2356858977 TXQAPNSBRYVSJA-UHFFFAOYSA-N 490.593 5.483 50 1 JKGF O[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587058708 IKDVUDQGNYGVEB-CYBMUJFWSA-N 463.653 6.718 50 1 JKGF Nc1cc(C(=O)O)ccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587248860 AERTWXJZOPLMFU-UHFFFAOYSA-N 472.233 5.854 50 1 JKGF O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322063 LIMLQPUPQGCPRN-FJIJXJHWSA-N 485.305 5.024 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2Cl)[C@H]1c1ccc(F)cc1 587337486 RTLFYXJSLAFPBP-UNMCSNQZSA-N 479.704 5.973 50 1 JKGF COc1cccc(-c2cc(-c3ccc(NC(=O)C(C)(C)CCl)cc3)nc3c2oc2ccccc23)c1 587357026 DJRHXTNJWDTFHO-UHFFFAOYSA-N 484.983 7.527 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2=O 587470727 HLPBPTQHNXPYPP-MHZLTWQESA-N 463.936 6.732 50 1 JKGF C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546046 UVLYNAJUTRMRAS-WIOPSUGQSA-N 451.906 5.227 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 587719749 REXFALYVIOCPAM-XTZNXHDOSA-N 479.134 5.362 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Cl)N1 587842415 DONKKHNJNMAKPD-AYVTZFPOSA-N 453.602 5.476 50 1 JKGF COCCCN1CCc2ccc(OC)cc2[C@]1(C1CC1)[C@@H](Br)c1ccccc1F 961324785 OJTDHUYVANDADA-BJKOFHAPSA-N 462.403 5.470 50 1 JKGF O[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587058709 IKDVUDQGNYGVEB-ZDUSSCGKSA-N 463.653 6.718 50 1 JKGF C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079015 DULOVGDEIBKILN-ZCFIWIBFSA-N 451.646 6.442 50 1 JKGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325269 DBXCOYJBPRPODP-JGJBJIOOSA-N 467.924 5.222 50 1 JKGF COc1cccc(-c2cc(-c3oc4ccccc4c3NC(=O)[C@H](C)Cl)nc3c2oc2ccccc23)c1 587357437 IXUVFEBTIPUEAL-INIZCTEOSA-N 496.950 7.636 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C2CCCCC2)cc1 587539953 YXHDSABQKVIEST-SQHAQQRYSA-N 493.397 6.692 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2F)([C@@H](C)Br)N1 587717892 LUTMELVMNYAQKL-MHNGPXOMSA-N 463.135 5.428 50 1 JKGF COc1ccc2c(c1OC)C1(N(C)[C@@H](C)C2)C(CCl)(CCl)CCC1(CCl)CCl 962637695 SZUFUTDHSRZHCR-AWEZNQCLSA-N 469.280 5.497 50 1 JKGF [C-]#[N+]/C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C(=O)N1CCCCC1 1772617554 GEWHOOAXEXWIPY-XSFVSMFZSA-N 456.550 5.203 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 38515914 MBNLFFHRULJOPH-OTLNGPFXSA-N 486.737 6.325 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NN)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299814809 GIEQKFOZGMTVBA-XSBXLJMZSA-N 483.741 6.464 50 1 JKGF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C2CC2)n1 587229871 KNSWTIKHEJJSAP-UHFFFAOYSA-N 490.498 7.184 50 1 JKGF Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 587373105 LDVJSPCGXPMWJL-RDGATRHJSA-N 497.385 6.704 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCCC2 587539040 UTBMWWYBMKAPGP-DHLKQENFSA-N 465.343 5.523 50 1 JKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539338 VPPFSIKVGHNJBH-FGCOXFRFSA-N 453.332 5.669 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685936 SDPCHPUDHRNPSR-LRTDBIEQSA-N 453.783 5.199 50 1 JKGF CSc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587843764 JIJOOHWGBZGAHC-BBATYDOGSA-N 459.222 5.483 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(Br)Br)N1 587847295 KFKOQWRMVLMSGC-VXJOIVPMSA-N 498.053 5.543 50 1 JKGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CCC1)CO4)C3=O 2356381841 CGYXUANFCZTNCN-XYHYBEPMSA-N 477.384 5.285 50 1 JKGF CC(=CCC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OCc2ccccc2)OO1)CCC1=C(C)CCCC1(C)C 2356422729 UIDHZKHZBWBCMB-IWGZPIKUSA-N 482.705 8.269 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802442 PVTRVVKCASWVSD-FBNDGMMSSA-N 476.495 6.779 50 1 JKGF O=C(N/N=C/c1ccncc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 45388218 XQMMLHNXJMPKBX-IPBVOBEMSA-N 453.346 5.022 50 1 JKGF CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@H]1C 139927825 KGNYOYQNEUDLHE-ZJZAYCHTSA-N 458.727 7.497 50 1 JKGF 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](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 146305502 KLCUUHOIEJZJNQ-OTMOLZNZSA-N 498.748 7.095 50 1 JKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c3ccccc3c3ccccc3c2[nH]1 587009740 PXODQEVCJILKLP-QHCPKHFHSA-N 452.945 5.989 50 1 JKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587052023 UVCNIMFTRVGRTP-UHFFFAOYSA-N 455.235 8.454 50 1 JKGF CC(C)(C)c1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O 587501426 XJVAIHPBGWPNIS-NDEPHWFRSA-N 499.489 7.122 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2(c3ccccc3)CC2)N1 587672921 IXNZIIHRIFTAKH-XCLFUZPHSA-N 453.193 5.444 50 1 JKGF N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)c1c[nH]c2cc(F)ccc12 299818752 AAINIEKOWJZKIL-WOJGMQOQSA-N 453.904 6.753 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3ccc4c(c3[nH]2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl 587054701 HVOQXJRMSVALKM-CPNJWEJPSA-N 461.396 7.220 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(COc2ccccc2)[C@H]1c1ccc(F)cc1 587321120 IJWYSLOTTLXLMK-JTHBVZDNSA-N 457.295 5.103 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 587458488 JSKAKTMNCRKWCW-JMGYQRAPSA-N 489.955 5.364 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 587541652 CORUVKSBFZCJRU-FIBWVYCGSA-N 499.994 6.384 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587569346 HREIFYSPIOXSKL-SQHAQQRYSA-N 477.919 6.035 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587715373 CIAZDKQWKXQYSH-IDHHQXPSSA-N 481.125 5.567 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587721869 QWXWRWLDHLLQNW-BTDLBPIBSA-N 497.124 5.660 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2F)([C@@H](C)Br)N1 587726143 UYJUQNXOKFKCTP-CLFVBBPSSA-N 463.135 5.428 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 587855313 UMSFMWXEAKFCEU-CWTRNNRKSA-N 458.828 5.052 50 1 JKGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccccc1Cl 653778094 XAOJDJSZGPOVDZ-CCVNUDIWSA-N 464.312 5.095 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)([C@@H]3CCCc4ccccc43)N12 962673452 URNGRYYVTNDIJF-DNRSQYFGSA-N 479.418 5.044 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)c(C)n1-c1ccc(OC(F)F)cc1 963099598 PLDDGJWXPMFELX-UBUJSBSDSA-N 488.981 6.726 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCCC4)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43382145 UYVDOKQPXXNEHL-IICGJGECSA-N 457.611 5.007 50 1 JKGF CC(C)(C)OC(=O)N(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C[C@@H]1CCCO1 587197136 JWLOUJDGHNOGCG-LBPRGKRZSA-N 457.465 6.136 50 1 JKGF CCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587320351 FNMOTTSOLUJMQR-UPVQGACJSA-N 455.323 5.743 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)cc1 587322468 MNPOWEVERPCJRI-KNQAVFIVSA-N 496.159 6.487 50 1 JKGF O=C(Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 587547265 ZMOSBHRMJHGTGL-UFHPHHKVSA-N 485.923 5.740 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587714508 VSFNUCBBPCRWJQ-DDBGAENHSA-N 495.152 6.168 50 1 JKGF Fc1cccc2c1[C@](CBr)(c1ccc(Br)c(F)c1F)N1CCC[C@H]1C2 963108735 YBCCOEIWFQYPAX-BUXKBTBVSA-N 475.146 5.525 50 1 JKGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccccc1Cl 45348815 PZIMUEXBHMOFMV-LUOAPIJWSA-N 467.278 6.223 50 1 JKGF CCCCOSN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103214360 RCGKQMLXESGFDL-UHFFFAOYSA-N 456.652 6.544 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)cc1 169317622 QBXRMJNGTOCGLP-CXSMSNRLSA-N 493.438 6.164 50 1 JKGF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587258340 HPXSHPANTHQFPH-KRWDZBQOSA-N 470.467 6.792 50 1 JKGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324844 AIRVHTQLMJLCKH-WIOPSUGQSA-N 455.913 5.426 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC)cc3)c1C)CC2=O 587459996 KFEFWHCJHFEDKU-AREMUKBSSA-N 453.966 5.860 50 1 JKGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539681 XJLMRNBYMNRRDO-NCNFXNTHSA-N 459.723 5.686 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 587716926 KCFQCIAXCQTIDT-WNWIJWBNSA-N 467.098 5.178 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F 587724508 IQXHSCCZRKSEDX-BSEYFRJRSA-N 493.823 6.460 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587746296 MHQQPMBNQQOKOG-SORBDENESA-N 498.396 5.128 50 1 JKGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@](CCl)(c2cc(Cl)sc2Cl)N1 962633963 JOZQVWRSAVQPNO-VFZGTOFNSA-N 460.688 5.035 50 1 JKGF O=C1c2ccccc2[C@@]2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2ccc(CCl)cc21 962707145 KIKBGUWQVVKKQX-ZJSXRUAMSA-N 489.852 5.019 50 1 JKGF COc1c(C)cc([C@@]2(CBr)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1C 963188467 ASTWFMUYSKNTAO-BDYUSTAISA-N 475.430 6.074 50 1 JKGF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 59796545 IJLWXMAZQWVPRJ-SYHMPRQTSA-N 458.727 8.273 50 3 JKGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)N(C)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 13823186 IAHDJDYXXOYJJQ-GMWXTNTRSA-N 488.531 5.157 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 64448030 UBPCTMXZDDYSBB-GXJVVJEWSA-N 469.503 7.175 50 1 JKGF CN(CC1CCOCC1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 102990435 CIMPAUUBCFCROW-PUZFROQSSA-N 474.667 5.277 50 1 JKGF CC(C)(/C=C/C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]21)OO 255221483 JOMWQAFTYLTZSF-INCJBYGCSA-N 498.660 5.706 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C)C(=O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 261152293 PEXSLIJXRWANOX-BIPUANEUSA-N 452.679 6.591 50 1 JKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417840 QBFZSQAWIUWOEK-XRJVTAMDSA-N 496.818 5.634 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O 587457935 DQDMYCOEHIABFA-VPUSJEBWSA-N 479.960 5.460 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccc2)cc1 587537333 CUIWUGDTTLTIFO-IGKIAQTJSA-N 487.349 6.311 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587538611 QAWLEKDBHNMVAH-SIKLNZKXSA-N 475.722 5.306 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CBr)cc1 587539543 WYYMWZXGKISHLQ-SQHAQQRYSA-N 487.349 6.193 50 1 JKGF COc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587673083 KCLDPIVWPLNHKE-RBZFPXEDSA-N 471.208 5.386 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCC(F)(F)CC2)N1 587715414 CMCNDIPDVLOACM-BMLIUANNSA-N 455.156 5.538 50 1 JKGF CCc1ccc(C(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587957190 SBVXXOCPGGTWLI-UHFFFAOYSA-N 483.300 7.361 50 1 JKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCCl)(c2cccc(F)c2)N1 963184800 UCTDELBLNCEUSB-IFMALSPDSA-N 492.340 6.530 50 1 JKGF CCN(CCCl)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963185226 KUPVIYJKVABYID-MOPGFXCFSA-N 461.311 5.112 50 1 JKGF CC1(C)C/C(=C/[C@H]2[C@H]3[C@](C)(C[C@H]2O)[C@@H](Br)CC[C@@]3(C)O)CC[C@@H]1Br 59779408 YBUXHLOZPRIUQN-FDONUVHQSA-N 464.282 5.198 50 1 JKGF CC(C)=CCC[C@@H](C)/C=C/[C@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 103559290 BIXXDPOEXJMBRN-IKFVAJDXSA-N 474.726 6.468 50 1 JKGF biogenic,in-vitro C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 254078657 QUSFRWBCEGVWGG-KUAPUMLESA-N 482.504 5.681 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587019313 XCMXASGSGLGTIB-UHFFFAOYSA-N 475.464 6.706 50 1 JKGF O=C1C[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587149110 LUZJLXURBUZXDZ-LLVKDONJSA-N 453.383 6.015 50 1 JKGF CC(C)(c1ccccc1)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324001 VHQYHFLDBVANOV-WIOPSUGQSA-N 469.350 6.002 50 1 JKGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587329056 WWCDDBMSMZBWNH-JYFHCDHNSA-N 479.891 5.292 50 1 JKGF O=C=Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587337446 OEERPJCIROSIKO-IXCJQBJRSA-N 451.453 5.801 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)[C@@H](C2)C3=O 587422157 RXNNIOPWSGEXEM-KPZWWZAWSA-N 463.196 5.030 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(F)(F)F)ccc1F)CC2=O 587463917 DKTCJHAIYPYOJI-IBGZPJMESA-N 461.249 5.758 50 1 JKGF O=C1C[C@](CCl)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 587502989 GWLZAXXYUMASBQ-FQEVSTJZSA-N 452.719 5.270 50 1 JKGF COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C 587688614 MNHRKVFXAUUBPT-YTEVENLXSA-N 485.825 5.391 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 587688739 NTFIAASQSDCJLZ-CPKIHRHESA-N 483.812 6.827 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C 587689044 PBMUYECOIOHFRY-IPQOISQHSA-N 485.825 5.220 50 1 JKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587714877 HJFCRCREVHROPJ-JEOXALJRSA-N 493.161 5.671 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1ccc(Cl)o1 963863150 PFXRFJBPPWPOBR-QRQCRPRQSA-N 498.801 5.516 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc(C(F)(F)F)c1 1857767087 PTXUHEJWNSRCQU-UHFFFAOYSA-N 479.301 6.368 50 1 JKGF C[C@H](CC[C@@H]1OOC(C)(C)O1)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@@]3(C)CC[C@@]12C 2356429587 ASKGIBDPFYQTPN-XKCLGYCVSA-N 474.726 7.650 50 1 JKGF CN(C)c1ccc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2cccc(C(F)(F)F)c2)cc1 45348362 MYUUPXHIKJTMPA-VVEOGCPPSA-N 495.427 5.693 50 1 JKGF CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 103201029 KTFDVRXYLFITBX-LFVOPCPISA-N 454.529 5.372 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)CC2=O 587463437 AHFLXOUZLVQYDU-VWLOTQADSA-N 491.937 6.871 50 1 JKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 587541217 DXLMPNTWSYZTGG-UFHPHHKVSA-N 468.892 5.581 50 1 JKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587722668 ZNNQTTRYNJNQRR-AUSHCKSDSA-N 463.135 5.428 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)c3ccsc3CCN2Cc2cccn2C)c(C)n1-c1ccc(Cl)cc1 962401046 VBGKJNSOOAOQTN-HRFSGMKKSA-N 498.523 7.077 50 1 JKGF CN1CCc2c(Br)cccc2[C@@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccccc1 963269939 MYPNAZYRTRPXPO-UPVQGACJSA-N 469.810 5.427 50 1 JKGF COOC1(OOCCCCCCI)CCCCCCCCCCC1 38158833 UBEZDUSDYQQTDH-UHFFFAOYSA-N 456.405 6.509 50 1 JKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1cc2ccccc2nc1Cl 64453991 NWWQWOICQZAMMR-HSZRJFAPSA-N 499.020 6.867 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/N=C/c3ccc(-c4ccccc4)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308377 IZWJYAMOWTUCPU-IZNXXCFOSA-N 460.574 5.381 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325239 CZMBPELVGGSPRP-OFVILXPXSA-N 471.912 5.146 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 587541866 DQBMERHAFJUEHF-ABYGYWHVSA-N 481.935 6.636 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 587568179 DMRFLTXFAHQCHH-ABYGYWHVSA-N 499.925 6.776 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670176 IJWRAEMSRJJLAN-GIJMVEMTSA-N 471.208 5.548 50 1 JKGF Cc1cc(-c2cc(C(F)(F)F)cc([C@@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)ccn1 1772643309 MYCRCDCYQMXGDJ-QHCPKHFHSA-N 453.468 5.136 50 1 JKGF C[C@@](O)(COc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857569291 XUOLENYEHAKDBN-QGZVFWFLSA-N 490.372 6.003 50 1 JKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@]21CI 27655326 AYRRINOWVUOXIX-OUMAFNBISA-N 498.533 7.414 50 1 JKGF CC(=O)OC1=CC[C@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 194953848 RFLQJTRSEXSOHC-ZMZVMSOOSA-N 470.638 5.800 50 1 JKGF CC(C)=CC[C@@H]1C(=O)C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@@H]12 221738660 CRWAMQHMIMERHN-RUOPXRBDSA-N 460.734 6.149 50 1 JKGF Cc1ccc2c3c(cc([C@@H](Br)Cc4c(F)cccc4F)nc13)-c1ccccc1C2=O 586997438 XSPMKKSAPYLYCG-IBGZPJMESA-N 464.309 6.712 50 1 JKGF Cc1cc2c(Br)ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2o1 587004425 SNLXHEAXHSIKMW-UHFFFAOYSA-N 453.230 7.704 50 1 JKGF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587051184 ABHKKUUWLIRVPU-LLVKDONJSA-N 492.695 6.584 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323411 REJJXWAYMPKBEN-AHWVRZQESA-N 483.377 6.379 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325408 DZHMNYILDSPXJM-IGKIAQTJSA-N 481.951 5.908 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587332082 IMFNWQQDIGZIIK-UPVQGACJSA-N 473.313 6.100 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 587338640 XVZFXTGLFPFCBN-UNMCSNQZSA-N 463.249 5.459 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 587853320 PQQIXAZOXBHWKT-VIASRPCQSA-N 486.410 5.325 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]12c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 963191754 HSQCOPDKJQGQCB-GRKNLSHJSA-N 488.974 6.025 50 1 JKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2)nn1 1857633308 LDGTVMYPGJZJBD-BLIIXVIOSA-N 489.660 6.074 50 1 JKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@H](O)CC[C@]21CI 253637037 AYRRINOWVUOXIX-AHIZUHJUSA-N 498.533 7.414 50 1 JKGF O=C(/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 587167182 OSFFCDFKPIXUKS-AATRIKPKSA-N 486.235 6.774 50 1 JKGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326436 LLRPYALGGVKXRO-RCZVLFRGSA-N 471.912 5.146 50 1 JKGF O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(F)cc2N1 587332806 KAHSCMRKVGEVQJ-NOZRDPDXSA-N 469.871 5.048 50 1 JKGF CC(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545358 RASRPWMBBYCZAJ-KCWPFWIISA-N 450.962 6.566 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587547189 ZHXGTUWUKLYZTG-FIPFOOKPSA-N 482.875 5.221 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Cl 587566970 CORSTZCGRVZGPN-WIYYLYMNSA-N 463.686 5.437 50 1 JKGF CCOc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672156 DEMZTEPSTAALPX-BUXKBTBVSA-N 457.181 5.160 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672341 ZZBJCCPYULDDJX-JGRMJRGVSA-N 487.207 5.167 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCBr)cc2)N1 587673920 RLHUPPMWBQAGPY-HXPMCKFVSA-N 457.181 5.376 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)cc2)N1 587679974 NFPCOTDYCPYFOP-BLVKFPJESA-N 475.627 6.148 50 1 JKGF Cc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 653781585 HWHIIBDYAQVNLE-UHFFFAOYSA-N 488.565 5.791 50 1 JKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCCCCCl)(c2ccccc2)N1 963173955 ACFYUCNFIHSKSR-XMSQKQJNSA-N 474.350 6.391 50 1 JKGF C[C@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857545867 LFOYPLQGMKUQMY-INIZCTEOSA-N 481.361 6.011 50 1 JKGF Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)S/C2=N\NC(=O)c2cc3ccccc3oc2=O)cc1 1857752943 PPISPTPDBFRCBK-XRRXZQNGSA-N 499.523 5.062 50 1 JKGF C[C@@]12CCSSC[C@H](NC(=N)N)CC[C@H]3CSSCC[C@@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356447706 AVVXEKOXHWSLSM-MHXYDWPASA-N 497.821 5.497 50 1 JKGF CC(=CC=C[C@]1(C)CC[C@H](Br)C(C)(C)O1)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356508776 PZQOXRKFZMYSOB-HDHSKVTNSA-N 464.282 5.915 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H](C(=C)C)[C@]4(CCC(=O)O)C[C@@]34CC[C@@]12C)OO 2356692396 VAVXCVQSOFVUSY-OKUSGNFTSA-N 472.710 7.897 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 587323522 RNTLRQYBHOEJMR-NFBKMPQASA-N 467.294 5.057 50 1 JKGF N#CSC[C@@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377166 QSYZRNMOOODSLT-GHTZIAJQSA-N 490.375 5.824 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2Br)N1 587672673 HBFKYVBQCXHMJM-DYZYQPBXSA-N 492.024 5.523 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(Cc2ccccc2Cl)nc1N=C=S 587895847 HPNFFOMMDORJDQ-UHFFFAOYSA-N 489.815 5.336 50 1 JKGF Fc1ccc([C@@]2(CCCBr)NC3(CC3)Cc3ccc(Br)cc32)cc1 961615571 PTCSGNOSNHMLRW-HXUWFJFHSA-N 453.193 5.685 50 1 JKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]2(CBr)c1ccc(Cl)cc1 962948448 BDPNBKTWXWTIMB-FQEVSTJZSA-N 474.748 5.649 50 1 JKGF C[C@@]1([C@@H](Cl)c2ccccc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963411473 AJVMAXSPDANJSB-VMODYCNZSA-N 458.945 5.515 50 1 JKGF N#CC1=C(c2ccc(C#N)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772640484 DDFSXUYDYSASSJ-QFIPXVFZSA-N 493.407 5.534 50 1 JKGF CCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)C)CO[P@@](C)(=O)F 1857603082 KAMDIPZCMWRTLU-ZJRACVCHSA-N 464.599 7.780 50 1 JKGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1c(Cl)cc(Cl)cc1Cl 29037327 SXZZEXPBUCQFHO-UHFFFAOYSA-N 490.214 6.211 50 1 JKGF CSc1nc(NCCc2ccccc2)c2cnn(C[C@H](Br)c3ccccc3)c2n1 40405559 HPCOKDADORLSHM-IBGZPJMESA-N 468.424 5.339 50 1 JKGF Cc1ccc(CC(=O)c2ccc(CC(=O)[C@H](C)Cl)cc2)cc1Cc1nccc(-c2cccnc2)n1 96177467 FSYWOHPACGDSLH-FQEVSTJZSA-N 483.999 5.602 50 1 JKGF CC(=O)O[C@H]1C[C@H]2OO[C@@H]3C=C4[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]4(C)CC[C@H](C1(C)C)[C@@]2(C)[C@@H]34 255259619 POHSXZIZHBZVSD-MZNYFRKKSA-N 498.748 7.514 50 1 JKGF COc1cccc(-c2c(CCCl)c(-c3ccc(Br)s3)nc3c2oc2ccccc23)c1 587365250 KMMRSYZBBIMYKQ-UHFFFAOYSA-N 498.829 7.929 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)O2 587370977 CBQSEMOWFCFLNV-XMMPIXPASA-N 455.341 5.317 50 1 JKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(F)c(OC(F)(F)F)c1)N(C)[C@H](C)C2 962637012 OEPBVGDNCVCXHL-ODXCJYRJSA-N 492.307 5.256 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2c(-c3ccc(C)cc3)noc2C)N1 962946343 LOCJVQFMNFGXDZ-AVRWGWEMSA-N 464.407 6.003 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2c(-c3ccc(C)cc3)noc2C)N1 962946346 LOCJVQFMNFGXDZ-CJAUYULYSA-N 464.407 6.003 50 1 JKGF Cc1cccc2c1[C@]([C@H](C)Br)(C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918068 XMWHDZOLTLNHLD-BBEJJTJUSA-N 480.321 5.173 50 1 JKGF C=C(CCC=C(C)C=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]12C 2356540585 CPCXHJGLQHAOKZ-SAJOQTLKSA-N 454.695 6.693 50 1 JKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356753168 BCPWMPCOEAOEDD-PNTFMKQHSA-N 481.416 6.082 50 1 JKGF COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=O)[C@@]3(C)CC[C@H]21 40976287 XCWQDUIKQDWONL-UOGCPOJYSA-N 496.644 5.477 50 1 JKGF N#CSc1c(-c2ccc(Br)cc2)nc2sc(Cc3noc4ccccc34)nn12 43122273 MYXVZGJMCIOCIT-UHFFFAOYSA-N 468.361 5.525 50 1 JKGF CSc1nc(NCc2cccc(Br)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 66258856 UBFVUIBDLRKUPW-GOSISDBHSA-N 488.842 5.903 50 1 JKGF CC(=N)/C(C#N)=C(\O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 101947382 XZHFQXRQENSNDJ-IUJMPEFFSA-N 450.292 5.196 50 1 JKGF aggregator CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587181673 ZHGPFISXVBXIRW-QMMMGPOBSA-N 492.255 6.659 50 1 JKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324366 YBVATBIRHZBVFR-LSQMVHIFSA-N 485.349 5.968 50 1 JKGF O=C1C[C@](CBr)(c2cc(F)ccc2Br)Oc2c1ccc1c2CCCC1 587507979 WSSZTTYSGNWQHK-FQEVSTJZSA-N 468.160 5.723 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537638 JJRFPEOLSNBJJA-NCNFXNTHSA-N 459.723 5.686 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 587543175 JSKGIFHDVSLOHT-LEAFIULHSA-N 454.909 6.059 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2Br)N1 587680112 SJCNMUFBFVKUDP-ADLMAVQZSA-N 461.600 5.562 50 1 JKGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2cc3ccccc3s2)N1 962968607 CXNQXMMLIIIWIK-BFUOFWGJSA-N 472.738 5.070 50 1 JKGF CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 2356599749 KOXZGKSNTSBMQC-CPFLFMEGSA-N 498.748 7.239 50 1 JKGF CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356830426 JIFHSNRTEHSLCY-UHFFFAOYSA-N 466.324 5.157 50 1 JKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 26838968 QRRVYNHCMMRFJK-NXBPGGDHSA-N 496.732 6.811 50 1 JKGF C[C@@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1ccccc1 27633059 YRCPCOSXYNOMNI-GFCCVEGCSA-N 465.731 5.103 50 1 JKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 64437153 WQCDOZNWFUWSPP-INZYDCRUSA-N 470.396 7.463 50 1 JKGF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F 587149802 BGIBXZZYVISFKR-UWVGGRQHSA-N 475.227 7.532 50 1 JKGF COc1cc2c3c(c1)O[C@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421242 OOVJWHCGGKKLEU-KSFYIVLOSA-N 477.529 5.818 50 1 JKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587544088 MLWDSWKKMXRYEB-NAKRPHOHSA-N 473.956 6.204 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546211 UYFJEKBBASSCRO-KCWPFWIISA-N 456.881 5.677 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 587672934 IYQGHNGBNPAGJK-WNSKOXEYSA-N 489.226 6.309 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2)N1 587673824 QOBKWMXQSVXLEA-BTDLBPIBSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(Cl)cc2)N1 587674594 XXCYZLPPNHHSCO-BUXKBTBVSA-N 475.627 6.195 50 1 JKGF O=C(/C=C/c1ccc(S(F)(F)(F)(F)F)cc1)/C=C/c1ccc(S(F)(F)(F)(F)F)cc1 1772634124 NMHQTDFYUPBIBB-FACPPWRESA-N 486.396 9.297 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2c(F)cc(F)cc2F)cc(C(F)(F)F)c1 1857651669 BRMNRRQMHGBNPG-UHFFFAOYSA-N 494.863 5.671 50 1 JKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Cl)cc1 95614509 YKSBFBSHBBLBBW-RTJJYHEMSA-N 495.012 5.559 50 1 JKGF Cc1ccc(Oc2nc3ccccc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98082371 ZAICSDQBZJWOLY-DEOSSOPVSA-N 451.526 5.786 50 1 JKGF COc1ccc(/C=C/C(=N\NC(=O)Nc2ccc(Br)cc2)c2ccccc2O)cc1 103217140 QOTHDGOVVAIQFN-RGBKKPBFSA-N 466.335 5.403 50 1 JKGF CC[C@@H](C)Sc1nc(NCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 473135198 GNWBUALGSADGLT-DYESRHJHSA-N 452.027 6.309 50 1 JKGF Cn1nc(C(F)(F)F)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587116900 DTODPPXKRAUNIA-UHFFFAOYSA-N 471.171 6.402 50 1 JKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(CBr)c1csc2ccccc12 962693229 ARPLWTUJOYKCLN-OYHNWAKOSA-N 462.453 6.043 50 1 JKGF C[C@@]1(c2cc(Cl)cc(CCl)c2O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960091 RQZBRYDHVDLBSJ-FQEVSTJZSA-N 460.323 5.718 50 1 JKGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4ccccc4Br)cc3)[nH]c2cc1C 1857618722 CYPCJHBQQZRKFA-UHFFFAOYSA-N 494.418 5.241 50 1 JKGF COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCCCl 2356324453 IVCAHXJIJIGCFU-FGZHOGPDSA-N 452.507 5.926 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C)OO 2356389719 FRZPGQFZKQIUFW-QPJDNKQFSA-N 458.727 7.803 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@]12C)OO 2356389720 FRZPGQFZKQIUFW-XGCCLLPBSA-N 458.727 7.803 50 1 JKGF CC[C@@H]1O[C@@H]2C[C@H](Cl)[C@H](Cl)C[C@H](C=C=CBr)O[C@H]2C[C@H]1Br 2356493718 DLWCNRZNBKQLBS-MPSOAUEVSA-N 463.037 5.144 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Cl)c(Cl)c1 84618529 AUXVKJNKJDOPAO-LGJNPRDNSA-N 469.397 5.786 50 1 JKGF CN(C)c1ccc(/C=C/C(=N\NC(=O)Nc2ccc(Br)cc2)c2ccc(O)cc2O)cc1 103217211 HGRQBJTYDKWJRE-VGTSSDOASA-N 495.377 5.166 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518871 XNJGHKPDJWENKV-XPJVRYOESA-N 468.477 5.291 50 1 JKGF Cc1ccc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1 586963462 JLADGEZQUYJEKK-UHFFFAOYSA-N 473.330 7.892 50 1 JKGF C[C@@H](Cl)C(=O)Nc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 586987092 ZZRNQJKRRAQYDG-CYBMUJFWSA-N 468.896 6.131 50 1 JKGF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587069692 DXHVEVUFEKTRJS-YRHSSUKESA-N 483.333 8.893 50 1 JKGF C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277302 SLXAAXNATIEJIG-LURJTMIESA-N 462.198 5.697 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546213 UYFJEKBBASSCRO-YIXXDRMTSA-N 456.881 5.677 50 1 JKGF COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686801 XNOAJXQEMVEELY-CFMSYZGJSA-N 454.723 5.065 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(C(=O)CBr)c1F 587894593 QFVRBJGYXPOYAK-UHFFFAOYSA-N 491.571 5.074 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(C(=O)OC3CC3)cc2)N1 962945954 HQEZVGLFKHSIEN-MZNJEOGPSA-N 453.380 5.050 50 1 JKGF COc1cccc2cc3c(nc12)[C@](CBr)(c1ccc(-c2ccccn2)s1)NCC3 963054415 HBRVAJPXATYVMT-QHCPKHFHSA-N 466.404 5.151 50 1 JKGF CCCOc1ccc2c(=O)c(-c3ccc(OC)c(N(CCCl)CCCl)c3)coc2c1 84711707 JFEZUXHDYWRYIE-UHFFFAOYSA-N 450.362 5.541 50 1 JKGF Fc1ccc2c(c1)C[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)O2 587174737 RXVYIFOVESBRPI-CYBMUJFWSA-N 459.209 6.798 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F 587340591 YHXUYNNLDFUQNP-XTEPFMGCSA-N 493.937 6.571 50 1 JKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587406645 CYQZKJJUGMUIJM-MUUNZHRXSA-N 465.533 5.659 50 1 JKGF CSc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615356 XGUNEWRIRSNKCY-KNQAVFIVSA-N 457.345 5.366 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 587672511 GJFOLWWUNSZHMZ-SPLOXXLWSA-N 482.235 5.361 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccccc3c2)N1 587672854 INQLBSFBHHDIAK-LRTDBIEQSA-N 463.188 5.914 50 1 JKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 587686292 CDXSSYUCMFOSKY-CPJLOUKISA-N 489.860 6.266 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 587857577 SCJYLDMRXHVVGT-ATDWSLKCSA-N 499.236 6.163 50 1 JKGF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587934803 GIJRCFFNXTVFHT-FVMDXXJSSA-N 487.288 6.829 50 1 JKGF CC(=O)c1ccc2c(c1)[C@H](c1ccccc1O[Si](C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623810 LZUYSLXNWHHDOV-GMAHTHKFSA-N 483.637 5.439 50 1 JKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(S(F)(F)(F)(F)F)cc3)N12 962662774 ISANWDQKDFJXEI-GHTZIAJQSA-N 458.452 6.080 50 1 JKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC[C@]23O[C@]24C=C[C@@]25C[C@H](O)CC[C@]2(C)[C@@]4(CC[C@@]13C)OO5 2356369645 SQDFUUPQLYKOLN-OYEAASAJSA-N 456.667 6.139 50 1 JKGF CCCCCC[C@H]1CC[C@H]2CC3=C4CCC[C@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356376885 ZAKAKJOGFKHZJF-NRUSOEPOSA-N 477.784 6.456 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=C[C@@H]1C[C@@]2([C@@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@H](O)O1 2356461795 UYSHRHKOHCLBCE-PMPPGDGWSA-N 486.693 5.724 50 1 JKGF CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356722165 ZNDFZMMMAFAVDM-FUFSCUOVSA-N 488.744 7.611 50 1 JKGF Cn1cncc1CN(Cc1ccc(C#N)cc1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1 13489037 DRCFAJOBBUQTRU-UHFFFAOYSA-N 486.579 5.250 50 1 JKGF O=C(Cc1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 36411234 WKUUVYRJXQPWCY-WCWDXBQESA-N 474.260 6.084 50 1 JKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 138683410 IJJIJOIKRQUPRJ-QROXQBBHSA-N 493.732 7.907 50 1 JKGF C=CCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 211442584 VZQMLTKEJBUKBU-YVHASNINSA-N 483.725 6.159 50 1 JKGF CC(C)(C)OC(=O)NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC(=O)CC1 587233757 CKFQJLJLBSTADJ-UHFFFAOYSA-N 455.449 6.083 50 1 JKGF COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F 587337891 WEYSKWQANUXWRQ-OFNKIYASSA-N 475.285 5.328 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587546326 QFSUNINFYBPHBG-RPLLCQBOSA-N 492.911 5.312 50 1 JKGF O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626573 SVYLCEMEDQWEBQ-UHFFFAOYSA-N 491.185 5.901 50 1 JKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686514 VMNHVXPGUHYEDQ-JTBRQZTESA-N 463.819 5.106 50 1 JKGF COc1cccc2cc3c(nc12)[C@@](CCCCCl)(c1ccc(OC(F)(F)F)cc1)NCC3 963044817 DFYCVRBLXMTZRY-HSZRJFAPSA-N 464.915 5.940 50 1 JKGF COc1ccc([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cl 963819909 YSFXFFWNARMKOO-SANMLTNESA-N 467.396 6.037 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H](Cl)CC[C@]23C)C1(C)C 1772590875 YDWVUEMJOUIJBU-LNOMCAQDSA-N 453.063 6.136 50 1 JKGF C[C@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857546503 HKTZWSOVZCTVCO-INIZCTEOSA-N 481.430 6.845 50 1 JKGF C/C(=N/NC(=O)c1ccncc1)c1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1O 28528887 AGGIZYUREYPXBI-VAMRJTSQSA-N 464.569 5.144 50 1 JKGF Cc1ccc(/N=C(O)/C(C#N)=C2\S/C(=N\Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 73198024 XPDJKYFCTABMLJ-VJGPFIBXSA-N 487.972 6.177 50 1 JKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 95808861 BRCSGEPGEPKRAQ-AJBULDERSA-N 496.611 5.825 50 1 JKGF O=C(O)c1cc2[nH]c([C@H](Cl)CCl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587009136 XCKFIHYXOLKEAE-MRXNPFEDSA-N 469.280 5.364 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325050 WJLWKXPHTLJUPJ-LEAFIULHSA-N 470.883 6.193 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 587325660 GLTNDYCQXDRBOJ-AHKZPQOWSA-N 476.935 5.827 50 1 JKGF CSc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1NC(C)=O 587377716 SPTIAACMBCLVJF-NOZRDPDXSA-N 485.964 5.705 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(CBr)cc1)CC2=O 587455743 FKYRJOIDCAFYHH-RUZDIDTESA-N 451.360 6.149 50 1 JKGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549027 PJELKQRRZDEJRE-VCHGGQOGSA-N 493.275 6.052 50 1 JKGF O=C(O)Cc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587961146 JQHGORPVGMOKMD-UHFFFAOYSA-N 471.245 6.201 50 1 JKGF O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857599691 KSIVPSATVMHIHN-UHFFFAOYSA-N 484.368 5.342 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]12 2356498264 OTNMMCVDNMEIGO-BOLGLWBFSA-N 470.694 6.269 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1OC(F)F 40447649 VMJBEKIDUMOJMI-VPBFVJKUSA-N 472.513 5.238 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(CNC(=S)CCCC[C@H]2CCSS2)c1-3 299809508 UQEISUKMQDWLIR-UKILVPOCSA-N 496.811 7.350 50 1 JKGF CCCCSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 473135510 IYEUMUXJWLJKDF-FQEVSTJZSA-N 472.445 7.096 50 1 JKGF C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319065 ABCSVBNBIVLIHI-CBYLSYGJSA-N 499.420 6.629 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(CCc2ccccc2)[C@H]1c1ccc(F)cc1 587323361 QWSUFJFJTAIZIL-LADGPHEKSA-N 455.323 5.657 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 587323697 MKTCQXDOGMHJPT-FNFCYJGBSA-N 489.974 6.821 50 1 JKGF COc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324213 XEDZWUCYVNPVEA-GMAHTHKFSA-N 457.295 5.189 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(F)c2F)[C@H]1c1ccc(F)cc1 587330444 HUKISFUXLTVOIY-AVRDEDQJSA-N 481.239 5.598 50 1 JKGF COc1cccc(-c2cc([C@@H](Br)Cc3c(F)cccc3F)nc3c2oc2ccccc23)c1 587360873 SEQSVPPSDXQBCS-FQEVSTJZSA-N 494.335 7.614 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1F 587542553 AADFSAZXLGSSQV-GHTZIAJQSA-N 497.238 5.802 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 587719350 PTGRPQKNGLSVAQ-QPFGOUBPSA-N 467.098 5.178 50 1 JKGF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]2CC=C(C=O)[C@H](OC(C)=O)[C@@]21C 2356520986 GMQPHYOAPGYWOA-OMLVCPFOSA-N 458.639 5.654 50 1 JKGF CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(CC=CC(C)(C)OO)[C@H](C=COC(=O)C=C(C)C)[C@]32O1 2356625198 DIEFFKCJCDUOGU-OHLMBLSPSA-N 462.583 5.097 50 1 JKGF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1 587145102 UYAURJUSTYCGMV-UHFFFAOYSA-N 472.410 7.700 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319692 CPVDLZZJAKYQOT-NOZRDPDXSA-N 480.333 5.970 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587325121 WQLFPPUQHPKBIQ-CGLDCDAWSA-N 485.939 5.535 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587539536 WYRVDOYVNIGXKL-GQIHDASDSA-N 489.749 5.695 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(F)cc1 587571404 NZOTYDFPIZRWNG-NZQKXSOJSA-N 457.295 5.564 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(Br)Br 587615316 WDEZQKCSZLIKNX-BEFAXECRSA-N 496.176 5.427 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682487 CMGKSKFHOWOYRI-SHACYNPGSA-N 456.786 6.176 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccccc2F)N1 587727889 PWAIEZYIJGEJSX-CXWAGAITSA-N 459.172 5.483 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 587730731 XWSVJYGQQGASGR-ABCOOTEDSA-N 493.617 6.136 50 1 JKGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587747342 PVEQJXYSCXQANB-VUDGLEBLSA-N 498.396 5.128 50 1 JKGF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587783859 BAPZSKUJLXIPNW-STQMWFEESA-N 497.283 6.926 50 1 JKGF Clc1cc(Cl)c2c(c1)[C@@](CBr)(c1ccccc1I)NCC2 963117080 CIHJZRNOCQMVIX-MRXNPFEDSA-N 497.001 5.382 50 1 JKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]12c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 963191760 HSQCOPDKJQGQCB-MVSFAKPFSA-N 488.974 6.025 50 1 JKGF Cc1ccc2[nH]c3c(c2c1)CC[C@@]1([C@H]2c4ccccc4-c4nc5ccccc5nc42)NC(=O)C(C#N)=C31 1857763204 RCBSZEKIDJELBW-FKAPRUDGSA-N 479.543 5.324 50 1 JKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)c1C 20677746 BZFDAPCAWZAARQ-KGENOOAVSA-N 468.648 5.489 50 1 JKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 49766912 NAAGZOQEUDWXRF-UHFFFAOYSA-N 491.422 5.070 50 1 JKGF COc1ccc2cc([C@H](C)C(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)ccc2c1 96914013 XRGYARAACFTFCG-IINGVQQQSA-N 489.011 7.176 50 1 JKGF Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc(Cl)ccc1C(=O)NC1CCCCC1 103170694 QHESDWVTBUEMIO-RWPZCVJISA-N 498.414 5.314 50 1 JKGF COC1=CC(C)=C2O[C@@]3(C[C@]2(OO)C1=O)[C@@H](C)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C 136136743 CBRNIVWTBUBBKT-MLXLQXNWSA-N 474.638 5.411 50 1 JKGF CCCCCCCC/C=C\CCCC/C=C/N(NC(=O)COC)C(=O)CCCCCCCCC 209419232 CLBJKVAZUKTENE-DUQWXCHZSA-N 478.762 8.014 50 1 JKGF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587090185 MVARZFYFZJVWMX-UHFFFAOYSA-N 462.206 7.145 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 587334051 OZIZAJDOMGBASN-FYYLOGMGSA-N 475.285 5.328 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1C(F)(F)F)([C@H](C)Br)CC2=O 587463645 ZGLBEKAGQCOWNC-FKIZINRSSA-N 457.286 6.008 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500129 QPBAZMVEXYYAPP-QMTYFTJSSA-N 485.418 6.161 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 587684745 LZARDIQNQSXVPL-LRTDBIEQSA-N 453.783 5.343 50 1 JKGF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCCCCCCCC(=O)NN 587862138 FRPONUAOWXNKAR-UHFFFAOYSA-N 468.520 5.109 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 2356465007 WTQGCUIIGTXDIX-GRTBYTAKSA-N 498.912 9.884 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]12 2356502052 VVGUCLDOXVGZMK-BIRRXDFYSA-N 454.695 6.384 50 1 JKGF C[C@H]1C(C#N)=C(SCCn2c(C(C)(C)C)nc3ccccc3c2=O)N=C2CC(C)(C)CC(O)=C21 22781971 QPFRIUNCSBANFJ-INIZCTEOSA-N 476.646 5.885 50 1 JKGF C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@H]2C[C@H]1CC[C@@]2(C)O 169370682 CFAGZVWUNVZOHJ-JUDWXZBOSA-N 460.639 6.352 50 1 JKGF C/C(=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CC/C=C(\C)C=O 238780074 FPOOHFGLFKYUON-OJNYRCPHSA-N 495.399 5.261 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 587044089 YXBWKMBPYQJALC-ZDUSSCGKSA-N 457.287 7.372 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054406 FTAFMFYTKAXABQ-AUWJEWJLSA-N 459.739 7.134 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324652 SKMUBMNTWOFUKJ-LBNVMWSVSA-N 472.899 6.213 50 1 JKGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587328773 VOJDGEWUGWQLSZ-AHKZPQOWSA-N 499.966 5.396 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC(C)C 587328953 WRLQYNSLZBONGL-VPUSJEBWSA-N 469.984 6.489 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1C(F)(F)F)([C@@H](C)Br)CC2=O 587463646 ZGLBEKAGQCOWNC-MPBGBICISA-N 457.286 6.008 50 1 JKGF Cc1cc(C)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587497059 BUVOZZMWXXFECG-JOCHJYFZSA-N 478.224 6.200 50 1 JKGF CCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538849 RUQBCUQGHSUOSK-ZJSXRUAMSA-N 453.332 5.597 50 1 JKGF CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542547 HKWPHNJZRYYOQJ-QFQXNSOFSA-N 465.933 5.473 50 1 JKGF CC(C)c1ccc([C@@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672298 ZKMYKQRMNHRNFY-HKZYLEAXSA-N 469.236 6.273 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 587673449 MWGCWLUUJPKSNX-ASSNKEHSSA-N 493.218 5.255 50 1 JKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587688906 OISHIEQJEDSGSH-DMZKTXOQSA-N 467.810 5.488 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCC(F)(F)CC2)N1 587715419 CMCNDIPDVLOACM-DYZYQPBXSA-N 455.156 5.538 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2csc3ccccc23)N1 587858460 QVXSILGWFSYFNQ-JEOXALJRSA-N 469.217 5.976 50 1 JKGF COc1ccc2c(c1OC)C1(N(C)[C@H](C)C2)C(CCl)(CCl)CCC1(CCl)CCl 962637698 SZUFUTDHSRZHCR-CQSZACIVSA-N 469.280 5.497 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)[C@H](CC(C)C)NC(=O)OCc1ccccc1 963607761 KDGSYAIPBNLAHA-LZECLLPCSA-N 475.029 5.013 50 1 JKGF CC(C)(C)[Si](C)(C)OC[C@@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H](/C=C/C3=CCOC3=O)[C@]2(C)CC[C@H]1O 1857753588 SDJSKSYEXKDGBN-MOOJFFDTSA-N 462.703 5.010 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356476292 ABQSCSIGRMJZCY-SYKYGTKKSA-N 490.725 5.584 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356745540 JKEJJFJGGOFWEL-OEVDNWHKSA-N 491.200 9.245 50 1 JKGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 96934086 WRKABWBIZILYRQ-UKAVVXHISA-N 463.711 5.205 50 1 JKGF C[C@@H](CC[C@H]1OOC(C)(C)O1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@@]3(C)CC[C@]12C 255196903 ASKGIBDPFYQTPN-NDCRZBHUSA-N 474.726 7.650 50 1 JKGF COC(=O)c1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cn1 587057046 TVRGONPAKQJWSF-OVCLIPMQSA-N 466.328 5.523 50 1 JKGF CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319787 CZWFDSLMAZXJBN-XXBNENTESA-N 479.342 5.003 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587326131 AKQCOBFUDOKYGH-RBBKRZOGSA-N 495.266 6.199 50 1 JKGF COc1ccc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Cl 587326768 NALRVBJYWMXKRC-SHQCIBLASA-N 497.349 6.840 50 1 JKGF CC(C)(C)OC(=O)N1CCC([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587501861 ZDXBICAJQKPNDQ-DEOSSOPVSA-N 478.427 5.311 50 1 JKGF CC(C)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672160 DFGUKAATENVCJD-RNODOKPDSA-N 455.209 5.884 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 587711608 LHGAVKCKUBCPPX-BTDLBPIBSA-N 481.125 5.780 50 1 JKGF COc1ccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(O)c2)cc1OC 587926666 KUOFKQSZAUVQCP-UHFFFAOYSA-N 472.435 7.277 50 1 JKGF C[C@H](CC[C@@H]1OOC(C)(C)O1)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@]3(C)CC[C@]12C 2356429585 ASKGIBDPFYQTPN-OSPWPRBSSA-N 474.726 7.650 50 1 JKGF N#C/C(=C1\S[C@@H](/N=N/c2ccc(Cl)cc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 73331892 YJVNPNMWADWFFI-LOGXDNMJSA-N 470.945 6.298 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 261139371 MTLHHWUQKRPSDW-SKESNUHASA-N 456.711 6.175 50 1 JKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 299867255 QAGILAWDKXYSMJ-HJOGWXRNSA-N 497.551 5.947 50 1 JKGF CCOC(=O)[C@@]1(CCBr)CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587360035 LANIKGXBYSEADN-AREMUKBSSA-N 494.385 6.189 50 1 JKGF O=C1C[C@](CBr)(c2ccc(N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587496984 BBOFLSNYNUXNLL-VWLOTQADSA-N 454.408 5.811 50 1 JKGF Nc1c(Cl)cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587501969 ZKAIYWADEGWIOV-HXUWFJFHSA-N 455.179 5.710 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F 587547422 LIZNHTNTXYGPFZ-SIKLNZKXSA-N 465.855 5.469 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 587689513 TYPSWFVNAMESTC-OYLFLEFRSA-N 491.832 5.652 50 1 JKGF O=C(NCCc1ccc(N2CCCCC2)cc1)c1[nH]c2ccc(Cl)cc2c1CCN=C=S 653692750 HCEQRQFUJFEIJQ-UHFFFAOYSA-N 467.038 5.429 50 1 JKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857598285 LXVFWNNANVIIQE-KRWDZBQOSA-N 490.372 6.003 50 1 JKGF CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@@]12C)OO4 2356667427 MBNPUBINSDBIMB-GVXLKIEOSA-N 454.695 6.864 50 1 JKGF C[C@](Cl)(C=C[C@H](Br)[C@](C)(Cl)[C@@H](Br)CCl)CBr 2356701001 PHKONGFYKSGPSW-XKNYDFJKSA-N 480.293 5.698 50 1 JKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802427 VOBDHFVZHQMWOY-JSMIYBGHSA-N 458.505 6.640 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966681 QAHVWEBIVWLDHF-UHFFFAOYSA-N 487.523 7.030 50 1 JKGF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 586973353 IJMPGWQAHNCYJM-JTQLQIEISA-N 452.146 5.159 50 1 JKGF Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320247 FBLADRYKYYOYJQ-JTHBVZDNSA-N 490.756 5.759 50 1 JKGF CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 587542296 GLDNKSRCYDQWFJ-IYXKQEINSA-N 464.989 7.123 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543051 INFDXQIDUGAMJX-DGSCHONISA-N 499.950 5.863 50 1 JKGF O=[N+]([O-])c1cccc([C@]2(CCCCCCCl)c3ccsc3CCN2Cc2ccco2)c1 962707597 NTGYWCBHKDSKQT-XMMPIXPASA-N 459.011 6.741 50 1 JKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 962711601 SMMNWQNVZNUOKW-AEFFLSMTSA-N 470.677 5.623 50 1 JKGF C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 64303497 PZWNTBLZPJNMSN-BRBGQNGVSA-N 454.566 7.145 50 1 JKGF C=C(C(=O)C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Cl)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 139396243 DHENOLVIJJTNHM-QMPXKEJGSA-N 479.101 6.096 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299814836 MRLLQMICRKAEIG-AORDTYNOSA-N 491.716 7.056 50 1 JKGF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587092181 BBTHKTKXZNRIQY-UHFFFAOYSA-N 456.280 7.925 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 587320694 GVJXQSSOYNVJFI-UNMCSNQZSA-N 496.159 6.487 50 1 JKGF N#CSC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370121 TWZNPDLGTYOXLJ-JTHBVZDNSA-N 484.346 5.762 50 1 JKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501775 XRJYPSPXHVWLJG-QHCPKHFHSA-N 474.351 5.300 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1Br 587541381 UDTLIKUPEPMNSG-NFBKMPQASA-N 473.750 5.867 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2Br)N1 587680114 SJCNMUFBFVKUDP-VOJFVSQTSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587683867 IGKBKPKNEVECLJ-XMHCIUCPSA-N 460.778 5.738 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587690024 YTEXVYDEFIUBLN-NPMABZOXSA-N 496.251 6.666 50 1 JKGF COc1cc2c(cc1OC)[C@H]1C(=O)c3c(ccc4ccccc34)[C@H]1N(CCCBr)C2=O 26498392 KECINEZEFQVNCD-DHIUTWEWSA-N 480.358 5.119 50 1 JKGF CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(NC(=O)[C@H](C)Cl)cc2s1 95590414 MQLPJVUKMSLSTQ-ZDUSSCGKSA-N 462.040 5.718 50 1 JKGF CC1(C)C/C(=C/[C@@H]2[C@@H](O)C[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@@H]1Br 147041423 YBUXHLOZPRIUQN-UKAGNMCBSA-N 464.282 5.198 50 1 JKGF N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587055515 DOTPGAXFAYDPIL-LBPRGKRZSA-N 476.696 6.879 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 587335679 RFDGOUQFLFUXPN-IFMALSPDSA-N 463.249 5.459 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669167 AVYVOCZWPOHAFF-JPHFQCMKSA-N 498.234 5.498 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685358 PTVJCQACTIMKMU-HJPURHCSSA-N 452.839 6.728 50 1 JKGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687000 FBGZLSGMRMFHEY-JGMWFTNYSA-N 471.798 5.115 50 1 JKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687111 FLLNSVZXAJMJPJ-VVYDWRJNSA-N 467.810 5.732 50 1 JKGF COC(=O)[C@H](C)N[P@@](=O)(OC/C=C(\C)CO[Si](C)(C)C(C)(C)C)Oc1ccccc1 1857638683 NISFXSWVGDOJOI-FJNZOHCESA-N 457.580 5.309 50 1 JKGF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@H]1C 2356652638 KGNYOYQNEUDLHE-RGTFROLJSA-N 458.727 7.497 50 1 JKGF CN1C[C@H](Cl)[C@]23C(=Nc4ccc(Cl)cc42)N(C)CC[C@@]32Cc3cc(Cl)ccc3N=C12 2356808016 YJLJASXTVIZPFC-VJBMBRPKSA-N 459.808 5.436 50 1 JKGF O=C(N/N=C/c1ccc(NCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 27651073 FEJMYYJULFRMCR-WKULSOCRSA-N 464.352 6.228 50 1 JKGF Cc1cc(NC(=O)NNc2ccc(N(CCCl)CCCl)cc2)c2cc(N(C)C)ccc2n1 49746868 WADASOWWOBLEEV-UHFFFAOYSA-N 475.424 5.042 50 1 JKGF COSN(C(=O)c1ccc2c(c1C)O[C@@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103214444 KDKMRRCLMNGTEA-KRWDZBQOSA-N 456.608 5.443 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 254153211 VQWHXXYGQNAQAN-WASTUFATSA-N 451.695 7.301 50 1 JKGF COc1cccc(-c2cc(-c3cccc(NC(=O)CBr)c3)nc3c2oc2ccccc23)c1 587360511 OIKHXJVZZXPKMO-UHFFFAOYSA-N 487.353 6.657 50 1 JKGF Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587538076 MZFVVCONXZSEPH-WRPOGVCQSA-N 473.750 5.995 50 1 JKGF Cc1cn(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 587539651 XCXVPGXSANZVFR-DHLKQENFSA-N 491.341 5.138 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587722326 SGTWAQBYRIBYJS-BMLIUANNSA-N 497.124 5.660 50 1 JKGF FC(F)(F)c1ccccc1[C@]1(CCCCCCCl)NCCc2c(Cl)cc(Cl)cc21 963115992 BNKROCIXBBEODS-NRFANRHFSA-N 464.786 7.591 50 1 JKGF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]56OO[C@@H](C[C@@H]4[C@@]3(C)CC[C@]12C)O6 238767346 XZFPIRANKNFFCD-TWOGUOSYSA-N 458.727 8.128 50 1 JKGF C[C@]12CC[C@@H]3[C@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CBr 253780965 NJULPAVJMURXJB-QAMBVAJDSA-N 488.260 5.198 50 1 JKGF Cc1cc(/C=C(/C#N)c2nc3ccc4c(c3[nH]2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl 587054707 HVOQXJRMSVALKM-UYRXBGFRSA-N 461.396 7.220 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 587338756 VIKGZOUVTBAJKO-IXCJQBJRSA-N 493.937 6.571 50 1 JKGF CCCCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538525 PKALIIGIGSBLTI-DHLKQENFSA-N 483.358 5.823 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1 587542675 IEDYIVWDKNGBSO-LZECLLPCSA-N 467.949 5.085 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 587685196 ODMONFFENCLMRC-XTZNXHDOSA-N 451.594 6.302 50 1 JKGF CC(C)=CC[C@H](C)C=CCCC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356753417 VWZKPZARAHDCMM-IECRIWKTSA-N 458.727 7.497 50 1 JKGF C[C@H]1CC[C@@]2(OCCC[C@H]2C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195247724 AVPLTCKGHQEQSS-WLSLLGPHSA-N 452.711 5.521 50 1 JKGF O=[S@](CCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 586958664 HCANWYIVKZZFIQ-AREMUKBSSA-N 489.329 6.723 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)n1 587373153 GXZPALCFLZSMQE-ZEQKJWHPSA-N 496.991 6.197 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)O2 587375577 UNSNDNNFHQXLEQ-GOTSBHOMSA-N 456.767 6.228 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(Cl)c1 587539008 TZKLIEABULRJLJ-RXVVDRJESA-N 480.141 5.951 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 587541524 CEPIPSGDHNZPOB-SQHAQQRYSA-N 487.895 6.063 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 587719790 LSIJWUUIYSWMLP-BTDLBPIBSA-N 497.124 5.660 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587841624 BQIUQAIELNMHIU-NPMXOYFQSA-N 453.380 6.149 50 1 JKGF COc1cc2c(cc1OC)[C@](CCl)(CC(C)(C)C1CC1)N(C(=O)c1ccccc1N)CC2 963149356 URZFPTWKWSOKBU-AREMUKBSSA-N 457.014 5.245 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)[nH]c(=NC[C@@H]2CCCO2)c1 1857769467 MVCRMBYFXPEPND-JURIHQFCSA-N 465.557 5.656 50 1 JKGF 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](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 2356686572 KLCUUHOIEJZJNQ-CEKJCADYSA-N 498.748 7.095 50 1 JKGF C/C(C=O)=C/CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 49784341 CQYCAQYQKRBNHY-RGKQSROTSA-N 452.679 6.613 50 1 JKGF CCOc1ccc(-c2ccc([C@@]3(C(F)(F)F)CC(c4ccc(C)cc4)=C(C#N)C(=O)N3)cc2)cn1 223905476 GQFDCKCMLZTMAS-AREMUKBSSA-N 477.486 5.711 50 1 JKGF C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255287698 ZROQCPFOIGVEOJ-XKPQIJIDSA-N 452.679 7.045 50 1 JKGF Oc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3C[C@H](Cl)c2ccccc2)c1 299868144 QZGNMSFUFGRNIV-NRFANRHFSA-N 466.010 6.290 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)[C@@H](C2)C3=O 587422158 RXNNIOPWSGEXEM-SGTLLEGYSA-N 463.196 5.030 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)CC2=O 587456546 QQLXCVHBQCYLIS-LOSJGSFVSA-N 485.805 6.995 50 1 JKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587499919 WORGVQCCGWPRRP-HYDGNGQDSA-N 485.967 5.585 50 1 JKGF CSc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587846228 PJCNNAASCNYNKG-BIBXISHDSA-N 471.823 5.285 50 1 JKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 2356670112 AAEWZCYGFQHOQA-MOQHGANNSA-N 477.173 8.855 50 1 JKGF COc1ccc(N(C(=O)[C@@H](C)Cl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 66128874 ZCIKDMRJHJYGNA-OPAMFIHVSA-N 491.440 5.471 50 1 JKGF N#CSc1c(-c2cc3ccccc3oc2=O)nc2sc(Cc3ccc(Cl)cc3)nn12 299831437 PTXWKOKMDNPEBN-UHFFFAOYSA-N 450.932 5.382 50 1 JKGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br 587325788 ZGEISMAKSFNIFD-PXJHDVJOSA-N 459.355 5.849 50 1 JKGF O=C1C[C@@](CCl)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 587502991 GWLZAXXYUMASBQ-HXUWFJFHSA-N 452.719 5.270 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1OC(F)(F)F 587557710 SLUFUGWYSUGDIW-NQIIRXRSSA-N 495.247 5.543 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2cccc(Br)c2)N1 587676529 FDQPRCFYSKQXNQ-ZMZPIMSZSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCC(F)(F)CC2)N1 587722949 UTJSQAVEBLYWBA-BTDLBPIBSA-N 455.156 5.538 50 1 JKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1ccc(F)cc1)N(C(=O)c1ccccc1N)CC2 963162729 YRSHLARMNLTVQZ-MUUNZHRXSA-N 497.010 5.776 50 1 JKGF CCOc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1CCl 963177471 CYUXLUSGRZUQKE-PXNSSMCTSA-N 462.295 5.359 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1ccc2c(c1)Cc1ccccc1-2 963603297 CFBJOQFVOJICLM-YHAMSUFESA-N 464.403 5.448 50 1 JKGF O=C(N/N=C/c1cccc(Br)c1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857653034 YVUDGUUMUXGGPD-RPPGKUMJSA-N 468.286 5.364 50 1 JKGF CC(C)c1ccc2c(CCC/C=N/NC(=O)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 29412954 HWTHCFOBIFLCKU-MZJWZYIUSA-N 451.954 6.397 50 1 JKGF O=C(N/N=C\C=C\c1ccccc1)c1cc(/C=N/Nc2cccc(C(F)(F)F)c2)nc2ccccc12 95552449 JVIFXTXOXIAKLO-FXHVKQCKSA-N 487.485 6.129 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329851 FPNPRKLAFOEWEA-WMTXJRDZSA-N 491.303 5.933 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587330039 ZYFZUERKYDKQNU-BDYUSTAISA-N 479.935 6.084 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)CC2=O 587456317 NERCGPJLXVCRHT-QFIPXVFZSA-N 476.754 5.909 50 1 JKGF O=C1C[C@](CBr)(c2cccc(SC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510112 YYCYNSWIBYLFOS-FQEVSTJZSA-N 471.338 6.433 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2Br)N1 587680167 SQOJWRFNDNNDMX-ZMZPIMSZSA-N 461.600 5.562 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 587686426 VDDXGNUZHWJQSI-RBZFPXEDSA-N 460.218 5.496 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587686734 DNJBOYWYDLDVQA-PSLXWICFSA-N 461.806 6.012 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(OC(=O)[C@@H](C)Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689217 QXXMHXCPAMSNDX-AYMFLGRJSA-N 489.212 5.526 50 1 JKGF Nc1c2c(nc3cc(Cl)ccc13)C[C@H](CNC(=O)CCCC[C@H]1CCSS1)CC2 13607700 YNUALVMKORREBG-ZBFHGGJFSA-N 450.073 5.406 50 1 JKGF O=C(O)CCCc1c(SSc2[nH]c3ccccc3c2CCCC(=O)O)[nH]c2ccccc12 13832602 NDFJNVBQNXXJTB-UHFFFAOYSA-N 468.600 6.263 50 1 JKGF CSc1nc(NCc2ccccc2)c2cnn(C[C@@H](Br)c3ccccc3)c2n1 40404689 DYYCEEKDQUZBGA-GOSISDBHSA-N 454.397 5.297 50 1 JKGF CC(C)(O)CNCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 138905810 MLKODAOHVHCNHQ-UHFFFAOYSA-N 485.665 5.301 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 587067859 AKNQMFJNEPESHQ-UHFFFAOYSA-N 499.690 7.693 50 1 JKGF O=C1CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 587322000 LAHJEDHMYJEHDW-NOZRDPDXSA-N 496.332 5.065 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324118 WCJVINPWCZYGKW-CHVDNLQBSA-N 455.323 5.878 50 1 JKGF Cc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccc(Cl)cc12 587536153 SHJKGNPZHVRGLE-HSZRJFAPSA-N 475.835 6.998 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556961 LFGCYKRTKSXMCT-VWTBYNNMSA-N 479.248 5.450 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2)N1 587673664 OZGGCKSSKJYCRW-QGHHPUGFSA-N 492.024 5.523 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 587705033 KSJJROFLRHBFHP-AJPKGMEUSA-N 464.684 5.105 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)s2)N1 587849876 WUWNIRXVSCSREN-AYVTZFPOSA-N 453.602 5.476 50 1 JKGF COc1ccc([C@]2(CCCCCCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963135258 DQUJTMAKXQLSSW-YADARESESA-N 495.041 5.441 50 1 JKGF COCCn1nc(-c2ccc(Cl)c(Cl)c2)cc1Oc1ccc(NC(=O)CCl)cc1 1857752974 YJNBEMIRQVUULT-UHFFFAOYSA-N 454.741 5.473 50 1 JKGF C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 2356495829 GUPQNHIGLNUBOG-ZIUOSIHNSA-N 452.679 7.074 50 1 JKGF CC(=CC[C@H](Cl)[C@](C)(Br)CCl)[C@H](Cl)C(Br)Br 2356649720 XELJFHNIOKSRIG-OYNCUSHFSA-N 480.293 6.046 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(F)c2F)cc(OC)c1OCc1ccc(C(C)C)cc1 13439098 OVUUDGVHCLXJBK-VFLNYLIXSA-N 484.499 5.154 50 1 JKGF CC(C)(/C=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 255286735 ZDBAOIAJPYOBJF-VVPWWWGKSA-N 490.769 7.388 50 1 JKGF CC(=O)c1ccc(-c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)ccc2F)cc1 587139802 XREAVRIFIBNRRU-UHFFFAOYSA-N 456.411 7.896 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1 587319833 DDHVOFJDJDXYST-IRLDBZIGSA-N 496.159 6.487 50 1 JKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F 587547420 LIZNHTNTXYGPFZ-KNQAVFIVSA-N 465.855 5.469 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1 587551225 YORUWIKFBSQVJV-NQIIRXRSSA-N 479.248 5.663 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552656 BOLOVBSVVGREGU-SXWKCWPCSA-N 491.740 5.911 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 587684655 LKCNWSDFDFRWGT-JLCFBVMHSA-N 460.778 5.473 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 587712797 QOMNLPOXKZBARD-VVVCHXIZSA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2csc3ccccc23)N1 587857718 MTMRFIUEEASGPG-WLRWDXFRSA-N 469.217 5.976 50 1 JKGF CC(C)C(/C=C/c1ccc(Cl)cc1)=N\NC(=O)N/N=C(/C=C/c1ccc(Cl)cc1)C(C)C 16958446 OGFXKULYNBRQQS-VOCBRJDESA-N 471.432 7.043 50 1 JKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)CCl 27635349 JJMUXTQYMJGDHY-ASVLODSOSA-N 458.108 6.840 50 1 JKGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1)c1ccncc1 64573500 QTEIZCYPMXQUAV-NVPYSNMXSA-N 479.411 5.976 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccc(F)cc1 587328894 WIKJYXLHZIJLRE-AOYPEHQESA-N 465.908 5.151 50 1 JKGF CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328921 WOFHVXVFYFWYBQ-ZCYQVOJMSA-N 454.881 5.036 50 1 JKGF Cc1ccc(C)c([C@@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962964652 YRICVOGQSZIBCT-QFIPXVFZSA-N 468.357 5.612 50 1 JKGF C[C@@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857541817 JGQLAPDVMXHRMZ-MRXNPFEDSA-N 481.361 6.011 50 1 JKGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](C1CCCC1)[C@]42CC3=O 2356690268 QUBZYNIUKRPXNZ-UULDJMMFSA-N 461.741 5.676 50 1 JKGF CCCCCCCCCCCC/C=C\N(NC(=O)CCl)C(=O)CCCCCCCCC 96940450 JSBHMYSSQWCKDT-LNVKXUELSA-N 457.143 8.050 50 1 JKGF Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 100703147 RWWMNVNPDIIXLZ-HSZRJFAPSA-N 498.435 6.943 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)ccc21 299862040 JBOKSAORROZWIP-MUFRIFMGSA-N 494.426 6.250 50 1 JKGF O=C1CCCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 587325734 GXIAVEYQAPJDRI-AHWVRZQESA-N 465.908 5.299 50 1 JKGF O=C1C[C@@](CCl)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 587531441 KFSJRJZBGPWZEO-GOSISDBHSA-N 490.644 6.251 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 587703459 GVPDKZVSMUITTM-AWBWRCJSSA-N 482.674 5.244 50 1 JKGF Cc1cc(C(=O)CCl)c(C)n1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587882137 MJVISAYFGVEERF-UHFFFAOYSA-N 487.814 5.533 50 1 JKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963107851 SZMJKGJHLNJXLH-ODGPQVTHSA-N 459.403 5.468 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=Nc2ccc(C#N)cc2C(F)(F)F)nc2sccc12 1857549887 LEDOHXWQPVRRRV-ONEGZZNKSA-N 491.498 6.693 50 1 JKGF C[C@](O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857607858 OOWBGGPCZMRDRG-INIZCTEOSA-N 481.361 6.011 50 1 JKGF C[C@@]12CCSSC[C@@H](NC(=N)N)CC[C@H]3CSSCC[C@@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356447704 AVVXEKOXHWSLSM-ATGKERLUSA-N 497.821 5.497 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356492726 BJRGCOCQXMDCDB-SOTAWHFNSA-N 464.282 5.364 50 1 JKGF BrCc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1CBr)OCO3 49766849 KDQFYICDQFGFQN-UHFFFAOYSA-N 478.136 5.754 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1-3 72178257 BAKGZEBYUPQJPI-ZJSXRUAMSA-N 466.716 6.872 50 1 JKGF C#CCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 211568190 RXVGOZKMCATHCA-YVHASNINSA-N 481.709 5.606 50 1 JKGF C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 254153208 VQWHXXYGQNAQAN-VBUUTZDPSA-N 451.695 7.301 50 1 JKGF CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255214835 HGBPMYUZRACDBG-IHAFNCCASA-N 462.715 6.464 50 1 JKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 299804528 YCWNSSLCHYTWSQ-APVPOVLKSA-N 478.557 5.045 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 587674095 STAUKGFVZRTLCW-HUTHGQBESA-N 482.018 6.068 50 1 JKGF CC[C@@]1([C@H](C)Cl)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962680693 RGDNFWVXJSSYGJ-RCDICMHDSA-N 455.904 5.654 50 1 JKGF Cc1cc([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1-c1ccccc1F 962723017 XZCVDPOGLACYQU-NIYFSFCBSA-N 473.032 6.218 50 1 JKGF C[C@](O)(COc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857613181 UWDBVOSYLBMHPS-KRWDZBQOSA-N 490.372 6.003 50 1 JKGF CC(=O)OC(=O)[C@]12CC[C@H](C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 2356555194 LHQBHRRRKUSSIK-YCAMKJQPSA-N 484.721 6.849 50 1 JKGF C[C@@H]1C[C@]2(CC(C)(C)OO2)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@]46CC[C@]3(C)[C@H]12 2356686868 WJZVKNGHNMFBJT-ORJZYGRVSA-N 470.694 6.856 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H](C(=C)C)[C@]4(CCC(=O)O)C[C@@]34CC[C@]12C)OO 2356692397 VAVXCVQSOFVUSY-WNSSOOPESA-N 472.710 7.897 50 1 JKGF Fc1ccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)cc1F 96907504 MKZZUHLLVBWUKP-MRXNPFEDSA-N 478.728 5.459 50 1 JKGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 169370683 CFAGZVWUNVZOHJ-WXIAYYLYSA-N 460.639 6.352 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@H](CCC(=O)O)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 194960478 CASWDFLWXWLZCX-UKHYQQATSA-N 480.985 5.471 50 1 JKGF O=C(CN1CCCCC1)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 222684082 GIUGRINBNCKZMH-UHFFFAOYSA-N 492.451 5.039 50 1 JKGF CCn1c(Cl)c2c(c1Cl)SSc1c(c(Cl)n(CC)c1Cl)SS2 299871732 ZCRPFOCAOUYGMG-UHFFFAOYSA-N 452.306 7.855 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N=Nc4ccccc4)cc1)[C@@H](C2)C3=O 587414085 RTGSVNDNWMOFHA-GBXCKJPGSA-N 463.331 6.148 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 587714504 ABXFXXIZPCMCFQ-BMLIUANNSA-N 497.124 5.660 50 1 JKGF C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587719395 LEJZVHYABMYNDS-IDHHQXPSSA-N 481.125 5.567 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587729231 CLTXBXBBUGIUJJ-JCQPUDPBSA-N 479.796 6.151 50 1 JKGF O=[N+]([O-])c1cc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 1857611753 AUPODHWQUIAHGR-UHFFFAOYSA-O 487.472 5.135 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1 43382193 ZOFHEQWWFYMHGR-GBYJYRDPSA-N 484.596 6.423 50 1 JKGF O=C(CBr)Nc1cccc(CCN2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 169346300 FMXRHICRNBOMGL-GGBSJPMNSA-N 483.450 5.027 50 1 JKGF Cc1nc(C2CC2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587013110 XEPZOYCGLLKOJH-UHFFFAOYSA-N 460.291 7.292 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587319597 CGEZJXZZFUIWFQ-RCZVLFRGSA-N 467.334 5.756 50 1 JKGF Cc1ccccc1C(C)(C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587954877 HCHJXIAESIYYSK-UHFFFAOYSA-N 455.290 7.617 50 1 JKGF N#C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)NCCc2cccc(-c3ccccc3)c21 962666623 KMBYLGOPKWHJCR-OZXSUGGESA-N 464.396 5.043 50 1 JKGF C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@@H]1CCCC[C@@H]1Cl)C(=O)NCCc1ccccc1 27631858 STDXKINLJZQPOB-CAKYRVLISA-N 482.024 5.104 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](C#N)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102999766 XHCQQXDIZNDAGY-BFJFTBSMSA-N 478.383 5.238 50 1 JKGF CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 299812428 NUVDETAVXDNNIF-HADGKATASA-N 452.639 6.203 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587325923 HXVJNJYKFXCOKI-XTEPFMGCSA-N 474.915 6.817 50 1 JKGF CCCc1c(O)ccc2c1O[C@@H](c1coc3c(CCl)cc(Br)cc3c1=O)CC2=O 587456907 CHSWKOYIKNINKG-LJQANCHMSA-N 477.738 5.659 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)CC2=O 587462272 XBFVXYVEJAIBSG-RUZDIDTESA-N 451.906 6.019 50 1 JKGF C[C@@H](Cl)C(=O)Nc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587496838 GDNAGHKIIIMMTM-BCOMRZATSA-N 485.967 5.585 50 1 JKGF O=C1C[C@](CBr)(c2ccc(Br)c(F)c2)Oc2c1ccc1c2CCCC1 587506914 QTEZXHLEAYAPAE-FQEVSTJZSA-N 468.160 5.723 50 1 JKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542211 GAJXVLMHXHBBLQ-SHQCIBLASA-N 479.960 6.007 50 1 JKGF CNC(=O)c1ccc(N2C(=S)N(c3ccc(S(F)(F)(F)(F)F)cc3)C(=O)C2(C)C)cc1F 1857611852 PCJXXUAPXGGSMC-UHFFFAOYSA-N 497.486 5.759 50 1 JKGF Cc1ccc(SCCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 43365936 PNQNANOBDDOEDT-UHFFFAOYSA-N 496.268 5.771 50 1 JKGF C/C(=N/NC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 49803258 MRRSMCQJVRVOSN-LJUMEUDFSA-N 484.491 5.712 50 1 JKGF CCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325754 HAVYQEFNDCEHGY-NOZRDPDXSA-N 453.897 5.373 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)CC2=O 587455582 DGOGSASPZQUVMC-SANMLTNESA-N 463.371 6.172 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1C(F)(F)F)([C@@H](C)Br)CC2=O 587463648 ZGLBEKAGQCOWNC-ODXCJYRJSA-N 457.286 6.008 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1F 587502177 IHUSPMSLQRJBQM-MHZLTWQESA-N 451.969 6.520 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537829 KTIXTSMNUFSSMU-GACAWOKJSA-N 494.341 5.230 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670175 IJWRAEMSRJJLAN-CYFODOTGSA-N 471.208 5.548 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587687116 YYFVWUBULGYXMS-PSLXWICFSA-N 489.772 6.180 50 1 JKGF CSc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587843188 HMVHWNAVUUJSPU-VOJFVSQTSA-N 459.222 5.483 50 1 JKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1cc(Cl)ccc1Cl 961775256 JHYRUQFWPXOEOR-DEOSSOPVSA-N 481.851 6.627 50 1 JKGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCOC1CCNCC1 1772611923 CHFXEHXMNBFQQN-UHFFFAOYSA-N 483.649 5.319 50 1 JKGF OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857576701 PUQHMMUMUNOVDD-UHFFFAOYSA-N 475.677 7.654 50 1 JKGF CC(=CC[C@H](Br)C(C)=CC=NOCc1c(F)c(F)c(F)c(F)c1F)CCl 2356439877 GGQZERPDTYNYRD-LBPRGKRZSA-N 460.668 6.170 50 1 JKGF C=C(C=CC=C(CC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 2356558764 LCTUPPDJKLEUIE-SEZOVNKOSA-N 484.721 6.388 50 1 JKGF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356599725 KBSDBYDTKXUZDW-GHNKBNBSSA-N 493.614 8.686 50 1 JKGF Cc1ccc2c(COc3ccc([C@H]4[C@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)cc(=O)oc2c1 45299859 FQIRNWLBTUZKIT-DQEYMECFSA-N 480.347 6.029 50 1 JKGF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1-3 72178258 BAKGZEBYUPQJPI-XUZZJYLKSA-N 466.716 6.872 50 1 JKGF COc1ccc(N[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)cc1 102187412 AWDHRXBPSMEKSE-RJSAWKIYSA-N 457.489 5.248 50 1 JKGF CCCCCCCC/C=C\CCCC/C=C\N(NC(=O)COC)C(=O)CCCCCCCCC 198899306 CLBJKVAZUKTENE-RCVRUCSKSA-N 478.762 8.014 50 1 JKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539242 VAQOZIPVKXBPRK-UNGHYCQRSA-N 465.343 5.521 50 1 JKGF CSc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1NC(C)=O 587612954 LOVXFQVIYJEVQK-ZJSXRUAMSA-N 469.946 5.168 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1nc2ccccc2s1 587619363 SAGSWEWHLPPBKH-PGRDOPGGSA-N 468.328 5.254 50 1 JKGF COCCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688361 LZJXLGOPAPNFII-ZSEKCTLFSA-N 457.815 5.060 50 1 JKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587714878 HJFCRCREVHROPJ-NSPYISDASA-N 493.161 5.671 50 1 JKGF COc1cccc(OCc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1 587780635 FDTJWAKHUFLKBN-UHFFFAOYSA-N 456.436 7.475 50 1 JKGF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC[C@@]23O[C@@]24C=C[C@@]25C[C@@H](O)CC[C@]2(C)[C@]4(CC[C@]13C)OO5 95911230 SQDFUUPQLYKOLN-FXSYIVMOSA-N 456.667 6.139 50 1 JKGF biogenic,in-vitro CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1 96938923 ROWXQQHVEFYQOE-WKULSOCRSA-N 471.483 5.160 50 1 JKGF C[C@H](c1ccc(CBr)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 586974134 RDNUKQZXKWGQPP-MRVPVSSYSA-N 476.543 5.263 50 1 JKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497068 JUFFKVCRSJUAMQ-XCZPVHLTSA-N 475.972 5.681 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2N)N1 587675661 AOEHNKHIQNEJST-XTZNXHDOSA-N 476.615 5.340 50 1 JKGF COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)N/N=C/c1cccs1 653705949 FNXFAVFHRYNIIU-OPEKNORGSA-N 484.375 5.440 50 1 JKGF FC(F)(F)C(F)(F)[C@]1(CBr)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648786 YIAQWGMCEMUZJP-MJGOQNOKSA-N 475.299 5.221 50 1 JKGF O=C(Nc1csc(Cc2c(Cl)cccc2Cl)n1)NN(Cc1ccccc1)Cc1ccccc1 13553602 VUESOSKHRLEAKJ-UHFFFAOYSA-N 497.451 6.780 50 1 JKGF COc1cc(Cl)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Cl)c1OC 95809031 CYORLBUUYFDJHO-VULFUBBASA-N 496.391 5.146 50 1 JKGF Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587321331 IWHNWGQFUWTBDB-LADGPHEKSA-N 455.323 5.797 50 1 JKGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325839 ZRKFYBGOVMLWCI-YDZMPMGISA-N 481.951 5.092 50 1 JKGF Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1Cl 587333170 MHVHGGVMDNRTMV-GGAORHGYSA-N 493.731 6.282 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)O2 587376818 YDTPIDMAOUSFOM-HXUWFJFHSA-N 482.161 5.795 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](CC(C)C)NC(=O)OCc1ccccc1)CC2=O 587458437 BQZLNNTWTFCTJN-OZXSUGGESA-N 473.997 5.629 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587686452 CTRXLFRQROKINA-CPJLOUKISA-N 489.860 6.629 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587711772 MFEOHHWFDLEVOI-HUTHGQBESA-N 499.115 5.919 50 1 JKGF Cc1cc([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1[C@@H](C)c1ccccc1 962719318 YQHMUQQJNUGRIY-GTFGCAHESA-N 483.096 6.699 50 1 JKGF Cc1cc(/C=C/C(=O)c2cccs2)cc2c1OC(N)=C(C#N)[C@H]2c1c(C)[nH]c2ccccc12 1857632955 RXTBPJHXCVNUCM-ZUCPIXAKSA-N 451.551 5.961 50 1 JKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(NC[C@@H]2CCCO2)nc(Nc2ccc(C#N)cc2)n1 1857755987 GNUUDTQLQOUKSN-OJZQOFKYSA-N 466.545 5.629 50 1 JKGF C=C(CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C 2356512017 LUYUXYHXWBFSNU-DUJDTKMNSA-N 458.727 7.803 50 1 JKGF CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 40614062 CYNIEYDHVYABKK-VGZTZGLTSA-N 493.221 6.391 50 1 JKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl 84713352 XLAPQCDYYDEPHZ-HSZRJFAPSA-N 469.976 5.652 50 1 JKGF O=C(N/N=C1/SCC(=O)N1c1ccccc1)c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1 95564480 MLKZMMAPYYLQIM-ORIPQNMZSA-N 493.548 5.066 50 1 JKGF Clc1cccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)c1 96272510 QNKRFRCYRMDLLE-GOSISDBHSA-N 477.193 5.834 50 1 JKGF Cl[C@H](Cn1ncc2c(NCc3ccccc3)nc(Cc3ccccc3)nc21)c1ccccc1 473136603 SMXZVGSOSOQCQG-XMMPIXPASA-N 453.977 6.009 50 1 JKGF C[C@@H](O)c1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 587022453 QVGBCXRSZSCLFT-RXMQYKEDSA-N 450.252 6.160 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587326127 AKQCOBFUDOKYGH-IFMALSPDSA-N 495.266 6.199 50 1 JKGF CCN(CC)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674635 YIPHJBBSXLBHNG-SPLOXXLWSA-N 484.251 5.607 50 1 JKGF CC(C)c1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 587689813 WQCAPHCKBAWJII-YPCHGGDPSA-N 466.866 7.240 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587690025 YTEXVYDEFIUBLN-ZAMGYDSWSA-N 496.251 6.666 50 1 JKGF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587958311 DTQHVWHRYZTTEM-WWMAXSSBSA-N 460.666 7.021 50 1 JKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)NCCc2c(OC)ccc(Cl)c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c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCI)cc1 36381210 RKZYURQNSYNMBI-UHFFFAOYSA-N 491.462 6.421 50 1 JKGF COc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 98082372 MKGGTRUQCIFZPD-XMMPIXPASA-N 467.525 5.487 50 1 JKGF O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324615 RXBLBZOJWYSLFN-IRPSRAIASA-N 498.893 5.757 50 1 JKGF COc1cccc(-c2cc([C@@H](Br)Cc3ccc(F)cc3F)nc3c2oc2ccccc23)c1 587359768 HQUPBXCQDQIEPN-NRFANRHFSA-N 494.335 7.614 50 1 JKGF O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379293 XVKFXCVGAGRBTQ-RBDMOPTHSA-N 491.334 5.085 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 587673081 KAOYGKVKIUFTLW-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 587682154 BLXQGZVNRUXNON-NPMXOYFQSA-N 460.774 6.397 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 587684502 KPSDSCSUZHDOAF-XMHCIUCPSA-N 467.810 5.589 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 587709569 BADLKTRIFMTPRY-HUTHGQBESA-N 499.115 5.919 50 1 JKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)n(Cc3cccs3)c1C)N(C)[C@H](C)C2 962639461 QCZDBRWBMKLFQN-CPJLOUKISA-N 459.055 5.591 50 1 JKGF CN1CCc2c(Br)cccc2[C@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccccc1 963269938 MYPNAZYRTRPXPO-LADGPHEKSA-N 469.810 5.427 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1ccc(Cl)cc1Br 963602663 AMCKBDKNWHFDEY-WYRIXSBYSA-N 489.635 5.292 50 1 JKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc3ncsc3c2)cc(C(F)(F)F)c1 1857769059 DRQCATOGXIXRDR-UHFFFAOYSA-N 483.943 6.185 50 1 JKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(/C)C=O)CC[C@]3(C)O)O1 71577976 RPXRCEJKIKHRBO-IGKCVBRUSA-N 468.678 6.770 50 1 JKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1 587329711 YZKRIZIMTWNPGW-RMXYQJDTSA-N 483.967 5.622 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)c(C)cc1OC)CC2=O 587456391 OCZCIWKUNFVHBU-NRFANRHFSA-N 453.760 5.571 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2(c3ccccc3)CC2)N1 587672920 IXNZIIHRIFTAKH-RNODOKPDSA-N 453.193 5.444 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 587673807 QFEMAJVWUPQRLV-HUTHGQBESA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCCBr)N1 587674572 XOVTZCLMGFCPAI-HXPMCKFVSA-N 457.181 5.160 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Br)c(F)c2)N1 587725346 PVRAGJASNAYEBI-XLFHBGCDSA-N 465.563 5.506 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)s2)N1 587850163 XSLANEANZUGLHT-AYVTZFPOSA-N 498.053 5.585 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1 962626947 DPEUKPBDITXIKC-CVDCTZTESA-N 469.931 5.789 50 1 JKGF CCOC(=O)[C@@H](Br)[C@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962671336 XEABMHYVFXAMCS-ILBGXUMGSA-N 450.376 5.070 50 1 JKGF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356495611 XEWVATFZTBNDCF-DSWQCVPHSA-N 486.901 9.884 50 1 JKGF CCCCC(CCCC)N(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)c1cc(C)cc(C)c1 43013240 BPLCJVPHRLEKJT-UHFFFAOYSA-N 484.637 5.865 50 1 JKGF CCCCCCCCOc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Br 586908589 SDYADKJDPOLLKB-UHFFFAOYSA-N 471.351 6.042 50 1 JKGF CCCC[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200136 YVYOWHJCMXRDEO-SANMLTNESA-N 497.599 5.279 50 1 JKGF O=C1C[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 587534242 YGZORAXHJFERBS-GDLZYMKVSA-N 462.529 6.030 50 1 JKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673688 PHYDOGDWGZOKRH-XUSGNXJCSA-N 494.202 5.724 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 587725532 QTMAFOQZMQTUOW-HDMZQJPESA-N 493.617 6.136 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587729911 DYYDTYNMUDUWOH-ZAMGYDSWSA-N 479.796 6.151 50 1 JKGF C[C@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857541816 JGQLAPDVMXHRMZ-INIZCTEOSA-N 481.361 6.011 50 1 JKGF CC(C)CCc1c(NC(=O)CCl)cc(C(=O)Nc2cccnc2Cl)cc1C(F)(F)F 1857767749 HMHXSDZATHMDSN-UHFFFAOYSA-N 462.299 5.772 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)[C@@H](C)Cl 35245271 JUYPKXVIXYIXAU-BCHFMIIMSA-N 480.008 5.178 50 1 JKGF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[Si](C)(C)C)C[C@@H](O)C[C@@H]1O 169793887 UFWCSLYGOILTDD-JJADZVGUSA-N 488.829 7.564 50 1 JKGF NNC(=O)c1ccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2c1 587109244 DCOVYVDNNRBWEU-UHFFFAOYSA-N 480.368 5.663 50 1 JKGF FC(F)COc1cccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 587124962 QCRRLNMGEZOVAJ-UHFFFAOYSA-N 480.203 6.689 50 1 JKGF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587181727 AVYUOWHWVSWAPZ-QMMMGPOBSA-N 478.228 5.939 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337225 UZMBINDYUOFOCH-PTDPWNNISA-N 477.276 5.847 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 587672139 DAOOZTBRYOHEQG-CQLKUDPESA-N 497.033 5.650 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 587672196 DZGSNAJUMXSTMV-LRTDBIEQSA-N 469.236 6.058 50 1 JKGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 45353209 YLUGDBWUYWDSFI-KBKYJPHKSA-N 493.829 5.178 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(F)cc1)OO2 64446550 ZYDBWBFHTLEFML-ZWKHSQGSSA-N 469.556 7.448 50 1 JKGF COC(C)(C)CCC(=O)/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 145103186 YBVHJCLVFBRGGU-HNGFKUQUSA-N 462.674 7.916 50 1 JKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C=O)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 254153301 YDSMZIDWNGKCHC-HAUCMDCVSA-N 482.705 6.723 50 1 JKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3C[C@@H]3OC(CC[C@H](C)CCl)=C(C)[C@@H]32)C1 473171726 VKPSLENWCQQPSE-LJENLOGESA-N 491.112 6.694 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323320 QSVYQVHPLSKMED-BGRXRSNCSA-N 497.404 6.867 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 587672963 JFYOFTOMNJWPEK-XLFHBGCDSA-N 482.018 6.068 50 1 JKGF COc1ccc2c(c1)[C@](c1ccccc1OC)([C@H](Cl)C(=O)c1ccccc1OC)N(C(C)C)CC2 962088241 FMZRQZRZJCXZAN-FQLXRVMXSA-N 494.031 5.713 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cc(Br)ccc2Cl)N1 962965253 ZWZPRXYOMGFWIL-XCLFUZPHSA-N 482.647 6.147 50 1 JKGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(F)cc3)O2)cc1O 1772655068 COJZNTNHZUIVEE-HHHXNRCGSA-N 477.488 5.164 50 1 JKGF C[C@@](O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857594325 ZRKNPDKSXPOJGP-MRXNPFEDSA-N 481.361 6.011 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1cccc(Cl)c1 13675465 MHBNNSFFNAXGRR-JOCHJYFZSA-N 483.399 5.896 50 1 JKGF CC(C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675515 WZNHLZHFIRHRJX-HSZRJFAPSA-N 462.981 5.631 50 1 JKGF CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCI)C[C@@H]32)C1 28655092 QHDIPJDEJUBBGW-YMKYFCOASA-N 474.467 5.846 50 1 JKGF COc1ccc(N[C@@]2(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 102187407 AWDHRXBPSMEKSE-ZMUMHOAJSA-N 457.489 5.248 50 1 JKGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5C[C@@H]5[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 255221805 JTWUHDUABHMRCG-UWQKGCGHSA-N 484.721 7.124 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O 587414057 RKUSQENNYXKICU-SQJMNOBHSA-N 465.343 5.312 50 1 JKGF COc1ccc([C@]2(CCCCCCCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962700124 FRJNOCVIVSGNOU-QFQXNSOFSA-N 462.074 6.631 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356434854 GXIUUQNLOQDGBR-BREWOYEESA-N 474.726 6.774 50 1 JKGF C=C(C=O)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 2356473144 UTUUDDODKUTNLS-ZWPFISNSSA-N 456.711 6.176 50 1 JKGF CC(=O)O[C@@H]1OC(=O)C=C1[C@H](O)CC=C(C=O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356707301 PRJYGULWSUVOHQ-AOYPEHQESA-N 458.595 5.268 50 1 JKGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 96934088 WRKABWBIZILYRQ-JYRKZWEQSA-N 463.711 5.205 50 1 JKGF CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118921737 NUVDETAVXDNNIF-JCIQGSFZSA-N 452.639 6.203 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)cc1Br 587322733 OCMVJMONJSXNPZ-LADGPHEKSA-N 489.768 6.404 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587324321 XTRCJXCRIVVSQU-ISKFKSNPSA-N 487.321 5.198 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 587372346 PLBCFHHSAYKQBZ-QHCPKHFHSA-N 473.798 5.847 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1F)CC2=O 587466513 MHUNYEIPIZGKOL-IBGZPJMESA-N 472.148 5.502 50 1 JKGF C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587501124 WEOKZLHGWNUJAZ-CHKJKVEQSA-N 482.256 5.864 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 587710000 DNPOREAGCHOXAR-XYZCENFISA-N 499.115 5.919 50 1 JKGF COc1cccc([C@@]2(CCCCCCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962930684 WIZGGPWAZIHBHN-XTEPFMGCSA-N 496.003 5.835 50 1 JKGF CC[C@@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)NCCc2c(OC)ccc(Cl)c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c1nc(NCCc2ccccc2)c2cnn(C[C@H](Cl)c3ccc(Cl)cc3)c2n1 28862054 YSEKYKKBMBRIKI-IBGZPJMESA-N 458.418 5.836 50 1 JKGF CCOC(=O)[C@@H]1C(C2=C(O)c3ccccc3CC2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 49637724 HPURHKPSGKOXER-PKTZIBPZSA-N 480.486 6.136 50 1 JKGF CCOc1ccc2c(c1)Oc1ncn3nc(CCCCl)nc3c1[C@H]2c1ccc(Cl)cc1 95596623 YMXVXYUCCZIJCA-FQEVSTJZSA-N 455.345 5.634 50 1 JKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 169356061 SAAHLUQXYDKDNX-MQPPLEFUSA-N 496.663 7.130 50 1 JKGF N#C/C(=C/c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587187709 JXZQXAQQWNVSIK-PTNGSMBKSA-N 450.395 6.037 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(Cl)cc2)N1 587674593 XXCYZLPPNHHSCO-BLVKFPJESA-N 475.627 6.195 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 587683979 IRKAOZHEAHLPLB-MCMMXHMISA-N 467.810 5.589 50 1 JKGF CCCCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686539 VOWUTYVELLQCEZ-QMHKHESXSA-N 452.839 6.728 50 1 JKGF COc1ccc(/C=C(\C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 587884392 KSJMCICHBHXQGG-HZHRSRAPSA-N 475.375 5.777 50 1 JKGF Cc1cc([C@@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c(C)n1Cc1cccs1 963011724 OHKFOSOTLFIUSR-RUZDIDTESA-N 468.091 6.212 50 1 JKGF C[C@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857560972 NJCSFJOBHCINAR-INIZCTEOSA-N 481.430 6.845 50 1 JKGF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl 43511596 XTUJPBGFAFIANJ-IMHHWWNFSA-N 478.117 7.265 50 1 JKGF CC(C)(N=C=S)[C@H]1CC[C@@](C)([C@@H]2CC[C@@](C)(N=C=S)[C@@H]3CC[C@](C)(O)[C@@H](N=C=S)[C@@H]23)O1 136530233 ZLGNDKAVVGTQQD-YMQCMGEPSA-N 479.737 5.326 50 1 JKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 238735540 WTQGCUIIGTXDIX-CATJIULFSA-N 498.912 9.884 50 1 JKGF CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)C/C=C(\C=O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 238783859 PRJYGULWSUVOHQ-KKBSBSLWSA-N 458.595 5.268 50 1 JKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1ccc(F)cc1Cl 299816628 KEFPOGQFNBBFCS-UHFFFAOYSA-N 452.942 5.271 50 1 JKGF CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299831083 IUZRFBJVUDOICO-QMTYFTJSSA-N 496.563 5.797 50 1 JKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328871 WFJNSRZGMABRBJ-JYFHCDHNSA-N 467.924 5.619 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O 587460628 OEDMLAPOSFFUHW-VWLOTQADSA-N 492.830 7.159 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587687853 IXGDLGBQXXLROU-NPMABZOXSA-N 496.251 6.666 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(OC(=O)[C@@H](C)Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689518 TZJRDAADQXKRBH-AYMFLGRJSA-N 489.212 5.526 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)cc1CBr 587891510 INHKDZNEOAIFDG-UHFFFAOYSA-N 495.122 5.497 50 1 JKGF CCCc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963185072 KDMVPWCTGXPZNB-OXJNMPFZSA-N 490.747 5.549 50 1 JKGF CC(=CC[C@H](Cl)[C@](C)(Br)CCl)[C@@H](Cl)C(Br)Br 2356649721 XELJFHNIOKSRIG-QXFUBDJGSA-N 480.293 6.046 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 2356670086 ZROQCPFOIGVEOJ-HBJXXWBWSA-N 452.679 7.045 50 1 JKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 5922316 VGNDLIWXFSMOLL-QGZVFWFLSA-N 492.963 5.153 50 1 JKGF O=C(NNC(=O)c1ccc(Cl)cc1NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 6041393 XVBRZWGEDPNWFW-UHFFFAOYSA-N 486.399 5.223 50 1 JKGF CCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc(O)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 28642042 DTYMHEQNMDNYFY-YKQZZPSBSA-N 491.551 5.264 50 1 JKGF C[n+]1ccc(Nc2ccc(Cc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 55775646 CZBKEYVZNKSAQE-UHFFFAOYSA-O 465.448 6.283 50 1 JKGF CN([C@H]1CC[C@H](O)CC1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 254081793 YVSWZWZPFGBKJU-UBBSCCEASA-N 474.667 5.154 50 1 JKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319702 CRZVCBDMEPOEPG-BEYHJKFUSA-N 471.322 5.578 50 1 JKGF C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587323867 NDOAUGHTWQZLBL-GACAWOKJSA-N 453.897 5.371 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539049 UTSPAABUAOHKEL-URXFXBBRSA-N 464.315 5.434 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 587674537 XMYKSVUBNWCTIR-HUTHGQBESA-N 482.018 6.068 50 1 JKGF CSc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O 587843083 GQYAUNVUYNPNIN-BIBXISHDSA-N 471.823 5.285 50 1 JKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cc(Br)ccc2Cl)N1 962965246 ZWZPRXYOMGFWIL-RBZFPXEDSA-N 482.647 6.147 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccccc1)c1ccccc1NC(=O)C(C)(C)CCl 963605546 GEGAFVRIKMSCAZ-XBBWARJSSA-N 493.047 5.733 50 1 JKGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 45349298 XGSZSQFCCDOVLO-KBKYJPHKSA-N 477.830 5.478 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)ccc1O 45387030 QKXFWNJPMWQHAF-LUOAPIJWSA-N 478.858 5.284 50 1 JKGF CC(C)=CCC/C(C)=C/C[C@@H](O)/C=C(\C)CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 238760297 JEBJCDBLMSBFNC-OYWNKVOLSA-N 474.726 6.612 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319706 CRZVCBDMEPOEPG-QQFWFLOESA-N 471.322 5.578 50 1 JKGF Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324119 WCJVINPWCZYGKW-LIAVLPADSA-N 455.323 5.878 50 1 JKGF CCOP(=O)(C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC 587360695 PCZZPFAQPPUEHA-CTNGQTDRSA-N 456.834 5.134 50 1 JKGF Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 587373101 LDVJSPCGXPMWJL-DHLKQENFSA-N 497.385 6.704 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587539700 XOKPDLWGTZFCLE-CGOGNOBXSA-N 485.330 5.050 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Br)c(F)c1 587559829 ZIUZGMFAPRBUKY-NQIIRXRSSA-N 463.686 5.390 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 587674341 WHCVWQHPCYNBCY-GIGQVBGESA-N 487.594 6.161 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 587687312 ZWIRISGSEVLZGC-YYSFKGJASA-N 471.153 5.710 50 1 JKGF BrCCCc1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1 1772601332 QHTCXBDQNHQSFF-UHFFFAOYSA-N 451.501 8.261 50 1 JKGF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=CCC[C@]1(CO)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356445737 MBNLFFHRULJOPH-XGPOCZNESA-N 486.737 6.325 50 1 JKGF O=C1[C@@H](Cl)[C@@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 1662031 JLSMKKTURMJQEA-VQTJNVASSA-N 468.365 5.397 50 1 JKGF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N2CCCCc1ccc(N=C=S)cc1 36177389 MIAOJBAWGZZMRM-ZKGSSEMHSA-N 469.050 6.207 50 1 JKGF CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 136188570 BJDXBDDVBKYQSK-VAMKMBFYSA-N 474.726 6.612 50 1 JKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 255281500 XQHQIRVSHQEBJY-AMZTXIEOSA-N 472.710 5.145 50 1 JKGF CS(=O)(=O)c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926004 LRNYBDIJRQUQPZ-UHFFFAOYSA-N 477.820 5.852 50 1 JKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 587187300 DKRBQEPPPZKPOK-GZTJUZNOSA-N 482.487 5.755 50 1 JKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322996 JANXQESYKKIJPX-FTCKKRBISA-N 495.978 6.398 50 1 JKGF Cc1ccc(OC(F)F)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508160 SJZSBOPCVZYINO-JOCHJYFZSA-N 451.307 5.731 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)ccc1Cl 587537176 BOCJCWUQRFJJIP-GHTZIAJQSA-N 480.141 5.951 50 1 JKGF C#CCOc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587563544 JLPMFPQEFKPGIM-UHFFFAOYSA-N 453.230 6.662 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2O)N1 587672042 CPEHGYPIWYJUAR-XYZCENFISA-N 463.572 5.120 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 587672508 GJFOLWWUNSZHMZ-QKKBWIMNSA-N 482.235 5.361 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 587674651 YLLKVVYABRENKU-YEJXKQKISA-N 467.220 5.640 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 587725344 PVRAGJASNAYEBI-HUTHGQBESA-N 465.563 5.506 50 1 JKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(C)(C)CC2=C1[C@H](c1cccnc1)C(C#N)=C(C)N2 963608562 LIOWVHILAVMAJY-NRMNNCMLSA-N 470.617 5.087 50 1 JKGF C[C@@H]1C[C@@H]1[C@H](C)C[C@H](O)[C@@](O)(CCl)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356495866 IDJFQGHMTPJXRG-WFKGNFGJSA-N 495.144 5.198 50 1 JKGF O=C(O)c1cc2oc3c(Oc4ccc(-c5ccc(OO)c(O)c5)cc4O)cc(O)cc3c2cc1O 2356785675 AMFPQBRHCMHGJU-UHFFFAOYSA-N 476.393 5.418 50 1 JKGF COc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 1660617 YZGQWJZFEFQYRQ-IRXDYDNUSA-N 452.135 5.355 50 1 JKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2ccccc2)C(N)=C1C#N 103950482 LNUHGTKLVZSNDX-QGZVFWFLSA-N 465.359 5.512 50 1 JKGF CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 587332690 MEXJWRXEZWYGNF-ISKFKSNPSA-N 457.860 5.122 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3sccc3c2)[C@H]1c1ccc(F)cc1 587375813 UQJINPGCOOOPSX-LADGPHEKSA-N 483.358 6.395 50 1 JKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)CC2=O 587456545 QQLXCVHBQCYLIS-JWQCQUIFSA-N 485.805 6.995 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)CC2=O 587467172 ORPBPCMWWNZXAD-KOEDWZGJSA-N 482.983 5.847 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587686723 DMENLVABDZCMLK-OYLFLEFRSA-N 475.833 6.321 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 587688661 MYCWCCYEVOXJKC-CHIZRPMYSA-N 477.849 6.257 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 587710001 PTELRRIJRATJDC-XYZCENFISA-N 450.657 5.307 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 587841623 BQIUQAIELNMHIU-IQMFZBJNSA-N 453.380 6.149 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2C2CCCCC2)C1=O 1857769354 NMSBZPCNQUSKKI-OAQYLSRUSA-N 454.611 6.046 50 1 JKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)CSSC1 2356657875 WRNXKFZWVQVLEV-MRXNPFEDSA-N 486.659 5.212 50 1 JKGF COc1ccc(-c2csc(N(CCCBr)C(=O)c3ccccc3Cl)n2)cc1 64654351 QAWLJKASUDSIOG-UHFFFAOYSA-N 465.800 5.904 50 1 JKGF C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O 101262422 CFAGZVWUNVZOHJ-KUXCXQDQSA-N 460.639 6.352 50 1 JKGF CCCNC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N 101341520 LCQQCSZUBVXWDG-NVQSTNCTSA-N 468.361 6.092 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cc(C)c(O)c(C)c3)ccc21 299856779 CBCUOEQQTMACAF-IPPBACCNSA-N 495.410 6.506 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 587326064 JKTHTGJYYYZWMK-UNMCSNQZSA-N 451.708 6.331 50 1 JKGF COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C 587544176 MYPMCRYFYJSSSI-NVQXNPDNSA-N 481.932 5.028 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cccc2Cl)N1 587674147 TXRRAEUKQKPDDZ-HUTHGQBESA-N 482.018 6.068 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2)N1 587674265 VNKIRUFEZWROND-DYZYQPBXSA-N 492.024 5.523 50 1 JKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587679341 LTTHGRUYUUYLNR-DDBGAENHSA-N 461.600 5.756 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)[C@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 963243405 SCCNOCOZLJRMQY-RKQHAZBESA-N 496.076 6.225 50 1 JKGF Cc1cccc2c1[C@@]([C@H](C)Br)(C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918070 XMWHDZOLTLNHLD-CFZJUORYSA-N 480.321 5.173 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(OC(F)(F)F)cc(-c3ccc(Cl)s3)c1)(C(C)C)C(C#N)=C(N)O2 1772622691 RZAJXRCVISAWDB-OAQYLSRUSA-N 494.926 6.027 50 1 JKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)OO 2356345994 GMYOLHJETWNFPY-OCWKNQJISA-N 472.710 6.982 50 1 JKGF CC(C)=CCC[C@@]1(C)[C@H]2CC[C@H]3Cc4cc(C(=O)O)ccc4O[C@]3(C)[C@]2(C)CC[C@H]1Br 2356401912 SPIGDDDVGATBCA-XDTKTVASSA-N 489.494 7.421 50 1 JKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356646014 NBTVKSMHLQISOW-HJSPWIPXSA-N 475.768 6.208 50 1 JKGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587414789 OOKWRJYYZDELEP-AFMDSPMNSA-N 487.434 6.034 50 1 JKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587498392 NRSHVEDDYBTRET-PMERELPUSA-N 470.012 7.307 50 1 JKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587501144 WEOKZLHGWNUJAZ-UGTAXJHQSA-N 482.256 5.864 50 1 JKGF CCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538982 TUXROYLEZYORKB-NFBKMPQASA-N 455.304 5.043 50 1 JKGF Cc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587674241 VHIAHIINQMSTEC-VOJFVSQTSA-N 461.600 5.723 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 587715966 YZMHBMDKWJBWJE-XYZCENFISA-N 499.115 5.919 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2F)N1 587722757 ZYNSZDMWOFKINY-YPMLDQLKSA-N 479.590 5.897 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cccc(SSc2cccc(Br)c2N)c1N 587919105 GGQFOKLEISUKLL-UHFFFAOYSA-N 491.863 6.475 50 1 JKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccc(OC)cc1 13675445 NCFMXHDEOVEFEX-HSZRJFAPSA-N 478.980 5.251 50 1 JKGF Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2)c1C#N 96933503 QHLDEQIQJPJJJX-CLJLJLNGSA-N 489.966 6.167 50 1 JKGF Fc1ccc(I)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587183291 WWHPIDPTVSWQFL-UHFFFAOYSA-N 464.172 6.631 50 1 JKGF CCCCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587330022 ZVGJPHQPAOUCPU-XCZPVHLTSA-N 466.980 7.147 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 587331185 IUPSGCOHZQQIIY-RBBKRZOGSA-N 463.249 5.459 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC(F)(F)CC2)[C@@H]1c1ccc(F)cc1 587331414 JLPHCHRAWVWNAJ-DENIHFKCSA-N 469.297 5.849 50 1 JKGF CSc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1NC(C)=O 587377713 SPTIAACMBCLVJF-ILBGXUMGSA-N 485.964 5.705 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)CC2=O 587460786 PGCHRKIOFRFTKY-MHZLTWQESA-N 481.976 5.640 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541286 AMBFHUQEVBIWBD-XECDKEEKSA-N 464.989 6.999 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CC1)[C@@H](Br)c1ccccc1F 587569161 PEPYCHHICZLMMY-OYDLWJJNSA-N 469.306 5.778 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2)N1 587673661 OZGGCKSSKJYCRW-BMLIUANNSA-N 492.024 5.523 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 587673911 RJEFXNQZWYUIKM-DYZYQPBXSA-N 454.141 5.703 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2sccc2Br)N1 587843691 JQRQLSUBJKNYSH-ABKXIKBNSA-N 476.234 5.404 50 1 JKGF Cc1sc2c(c1C)CCN[C@@]21C=C2CC[C@@H]3[C@H]4CC[C@](O)(C#N)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 963004384 CIFPSGDJSQYGHJ-AKWZFZGFSA-N 450.692 5.923 50 1 JKGF CC(C)(C)OC(=O)NCCC(=O)n1cc(/C(C#N)=C/c2cccc3cnccc23)c2ccccc21 1857667930 UAKDGDFYLFAUBB-RCCKNPSSSA-N 466.541 5.809 50 1 JKGF Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 8783349 YCLFNFMIGLHWRQ-LTKVALIFSA-N 453.347 5.307 50 1 JKGF COC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)OC)[nH]c2ccccc12 13734656 ZMWAFESFFVDUCV-UHFFFAOYSA-N 468.600 5.660 50 1 JKGF CCCCCCCC/C=C/CCCC/C=C\N(NC(=O)COC)C(=O)CCCCCCCCC 83923614 CLBJKVAZUKTENE-HYBOUUEMSA-N 478.762 8.014 50 1 JKGF in-vitro CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CCCC(=O)N12)(c1ccccc1)c1ccccc1 195203553 KURCSZYZPRNQPS-GVQINVNESA-N 475.749 5.667 50 1 JKGF Cl[C@H](Cn1ncc2c(NCCc3ccccc3)nc(SC3CCCC3)nc21)c1ccccc1 473134998 DSFJEXFHWGTUJN-HSZRJFAPSA-N 478.065 6.496 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587325010 WCPIMUGSHCLONJ-KETBTUPLSA-N 493.962 6.473 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587326365 LHGNOTCFNLJSOT-ZCYQVOJMSA-N 454.881 5.186 50 1 JKGF COc1ccc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Cl 587326770 NALRVBJYWMXKRC-SQHAQQRYSA-N 497.349 6.840 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587333518 WGLOAMOXLHKIST-IRLDBZIGSA-N 495.266 6.199 50 1 JKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 587541218 DXLMPNTWSYZTGG-YWEHKCAJSA-N 468.892 5.581 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)([C@@H](C)Br)N1 587672124 XZMLGYFEGASDDP-PJYBLOJUSA-N 461.600 5.803 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 587846041 GIRSKFUNPSCWMP-XUSGNXJCSA-N 487.866 5.329 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 587851246 HVSSISRCPKWELW-WHEQGISXSA-N 481.862 6.133 50 1 JKGF COc1ccc(-c2nc3cc(C(=O)N4C[C@H](CCl)c5c4cc(O)c4ccoc54)ccc3[nH]2)cc1 1857755774 QZBCIRJZZHNKAV-INIZCTEOSA-N 473.916 5.673 50 1 JKGF O=C(NNc1nc(Cl)nc(Cl)n1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 1857768422 FMWZFLDZRVPHBU-UHFFFAOYSA-N 484.734 5.285 50 1 JKGF CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 5846519 KYNYNSOJBPKYSS-DMGSHAKESA-N 480.955 6.517 50 1 JKGF Cc1ccc2nc(Oc3ccccc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 98084010 OATDHVBVDGACAF-XMMPIXPASA-N 451.526 5.786 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(Cl)c3)c1C)CC2=O 587460429 MQAJFNBRSLPMRO-VWLOTQADSA-N 458.385 6.505 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@@H](C)Cl)CC2=O 587461140 XJMUXUBMVPVFQZ-WGDIFIGCSA-N 472.412 6.894 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(Cl)c1 587503567 HMVODJJDWMZELW-AREMUKBSSA-N 472.387 6.865 50 1 JKGF O=C1C[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503997 DOXZQDBOGRQDSP-HXUWFJFHSA-N 457.261 5.979 50 1 JKGF COc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587538285 OQFMDECBPLLBME-XUZZJYLKSA-N 469.331 5.270 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542009 FFTMATUJKCWLSC-OFVILXPXSA-N 451.906 5.083 50 1 JKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687917 JADVLZQCAVUPLH-OJLQRUNKSA-N 466.866 7.116 50 1 JKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689207 QVLMXSINZFJIMX-KCYKTTMJSA-N 466.866 7.116 50 1 JKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 587733788 LYTRVINWPWIGEL-JBEBIEQOSA-N 493.823 6.211 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2Cl)N1 587734787 VTZOGPMWEVGRLM-HUTHGQBESA-N 465.563 5.553 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(Br)Br)N1 587847292 KFKOQWRMVLMSGC-AYVTZFPOSA-N 498.053 5.543 50 1 JKGF COc1ccc(Cl)cc1C#Cc1c(I)cccc1CBr 587917770 QGQZYVCGYUMSIC-UHFFFAOYSA-N 461.524 5.248 50 1 JKGF COc1ccc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)cc1 1772597389 HUPRFRJLAOQSOC-XKJRVUDJSA-N 494.914 5.339 50 1 JKGF CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@H](C=Cc2ccccc2)C1(OCC)OCC 1857626294 ICXWWOOXSACVDA-VWLOTQADSA-N 463.574 5.777 50 1 JKGF CCOC(=O)c1c(C)cc(OCCCCCCCCCCCCCBr)cc1O 1857762431 XNYGCCKEUWSDDT-UHFFFAOYSA-N 457.449 6.942 50 1 JKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447636 VBONCXOBVCFWSB-YIWSQARLSA-N 492.494 5.794 50 1 JKGF CO/C(O)=C1\C(C)=NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1 104104353 LCRXJONGJDFZDP-JTCWMMTASA-N 468.644 5.976 50 1 JKGF CCC[C@H](Br)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O 114389931 WAWBEUIRFZJIGH-LBPRGKRZSA-N 463.995 5.482 50 1 JKGF C/C(C=O)=C1\CC[C@@H](C)[C@@](C)(CC/C=C(\C)CC/C=C(\C)C[C@H](O)[C@H]2OC2(C)C)[C@@H]1CCCO 238731585 SZBACOZLVMVKCH-OFPJREHOSA-N 474.726 6.708 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976791 HOKAZOPETLIUOK-UHFFFAOYSA-N 463.653 7.215 50 1 JKGF O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325054 WJLWKXPHTLJUPJ-NAKRPHOHSA-N 470.883 6.193 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1F 587542600 AIBCOUNEQCZZCP-GHTZIAJQSA-N 497.238 5.802 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587737412 ZQHUWCZVLOFRCJ-SBKAZYGRSA-N 499.149 5.006 50 1 JKGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CCl)(c2cc(Cl)sc2Cl)N1 962633924 JOZQVWRSAVQPNO-BJOHPYRUSA-N 460.688 5.035 50 1 JKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCCCl)(c2ccccc2C(F)(F)F)N1 962695590 IVVMUDVXBKGSCQ-HKUYNNGSSA-N 483.811 5.725 50 1 JKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3=O 2356439697 AAWUBULPPJPQDA-VEJLXFEISA-N 486.693 6.305 50 1 JKGF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C 2356555403 UIBBRXVBQYADRW-CTPRQWQQSA-N 477.571 8.072 50 1 JKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@]1(C)[C@H](Br)C[C@H](O)[C@@](C)(O)[C@@H]1C2 2356655987 NMTHADGRZFKZFY-IZVMADOGSA-N 464.282 5.198 50 1 JKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)[C@H](C)Cl 16570133 XRQATIZLYUTCBC-BVZFJXPGSA-N 467.972 5.308 50 1 JKGF Fc1ccc(Cn2c(NC3CCN(CCc4ccc5c(c4)COOC5)CC3)nc3ccccc32)cc1 42988750 CDRYBRXZIQWOJU-UHFFFAOYSA-N 486.591 5.305 50 1 JKGF CCCCCCC/C=C\CCCCC/C=C\N(NC(=O)COC)C(=O)CCCCCCCCC 72123084 SLWJBIZOZMCRQW-JYWRQANJSA-N 478.762 8.014 50 1 JKGF Cc1csc(SCc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)n1 587021275 KNXHZRIXWDKLNJ-UHFFFAOYSA-N 463.522 7.945 50 1 JKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070661 YYGABLNAOUORGI-NBVRZTHBSA-N 484.921 9.047 50 1 JKGF C[C@@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324199 XBOFZMXCWMFPKQ-UPVQGACJSA-N 471.322 5.579 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)CC2=O 587460311 LTDQVGKYGBRVSV-AREMUKBSSA-N 453.966 5.491 50 1 JKGF CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587499251 LPXHXPMAHDPSFR-XDHUDOTRSA-N 478.427 5.311 50 1 JKGF COc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587673339 MBXQKTQIEOIMQK-RBZFPXEDSA-N 471.208 5.386 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 587854163 QHPNNWJMYXCSPF-JFUMZLFPSA-N 490.829 5.987 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 587855613 JVRRBUFSVZHMNO-OMLSMJQASA-N 464.791 5.509 50 1 JKGF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(OC(F)(F)F)c1N=C=S 587914557 JKEMJGVAPFVXNJ-UHFFFAOYSA-N 462.674 6.144 50 1 JKGF FC(F)(F)C(F)(F)[C@@]1(CBr)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648788 YIAQWGMCEMUZJP-PKOBYXMFSA-N 475.299 5.221 50 1 JKGF COc1ccc2c(c1OC)[C@@]1([C@H](Cl)CCCC1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676552 KZPPSFDMNLLKEE-CJFMBICVSA-N 495.969 6.434 50 1 JKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1[C@]1(C)c3ccccc3CCN1[C@@H](C#N)c1ccccc1)OCO2 963197323 ZISRDRLJDDPWJK-NKLHJNDUSA-N 487.987 5.368 50 1 JKGF C[C@@]12CCSSC[C@H](NC(=N)N)CC[C@H]3CSSCC[C@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356447707 AVVXEKOXHWSLSM-ZMGZLZCBSA-N 497.821 5.497 50 1 JKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C 2356684527 RKPLHWCOJKGGMT-GYHUNEDQSA-N 458.595 5.124 50 1 JKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1cccc(C(F)(F)F)c1 29126151 VLEHNYPRKMRONT-KVSWJAHQSA-N 478.854 5.416 50 1 JKGF CCCCCCCCCCCCCCCCOc1ccc(/C=C(\C)C(=O)OCCCl)cc1 43422730 QSLHYEGKTCOFEN-OCOZRVBESA-N 465.118 8.732 50 1 JKGF Clc1ccc2c(NCCCNC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)ccnc2c1 49881476 BZRLLCRDBXYSED-UHFFFAOYSA-N 498.067 6.050 50 1 JKGF COc1ccc(Cn2cc(/C=N\NC(=O)c3cn(C)c4ccccc34)c3ccc(F)cc32)cc1 73224965 QBNRQIYLLUAPKK-NUJZUDFISA-N 454.505 5.093 50 1 JKGF CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CC[C@@H]1O 103268153 BDNMFPOVAWCGRX-RSNOKGJTSA-N 490.725 5.201 50 1 JKGF O=C(CCCC[C@H]1CCSS1)NC[C@H](O)CNc1c2c(nc3cc(Cl)ccc13)CCCC2 299867306 QCXDJUMPSGXJCM-ROUUACIJSA-N 494.126 5.370 50 1 JKGF CC[C@H](Br)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320132 DWCGITRZUAGWCV-IEIRFRATSA-N 456.311 5.354 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 587335937 RWGPRSDUTINGDS-UGKGYDQZSA-N 479.704 5.973 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419838 ZUVLRACMUOIYGV-RGODFAACSA-N 497.473 6.951 50 1 JKGF CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537557 HPTKSIMORYKIJN-RUJAXMSRSA-N 481.386 6.231 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccccc2)no1 587537771 KAMHAKAGDXDHFW-XUZZJYLKSA-N 478.298 5.299 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1OC(F)(F)F 587557712 SLUFUGWYSUGDIW-WIYYLYMNSA-N 495.247 5.543 50 1 JKGF Nc1ccc(S(F)(F)(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894809 BEVOBLANKHIFED-UHFFFAOYSA-N 459.267 5.943 50 1 JKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(F)c(F)c2Br)N1 962960029 VTAYIUSHLNYCDS-GIPWTMENSA-N 484.182 5.771 50 1 JKGF COc1cc(/C(C)=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439082 CRKDIKGTOAHYEO-STBIYBPSSA-N 496.991 5.919 50 1 JKGF O=CC1=C(SCc2ccc3ccccc3c2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45283641 ZETBGRRSWNGZRE-UHFFFAOYSA-N 472.635 6.127 50 1 JKGF COc1cccc(-c2cc([C@H](Cc3ccccc3)NC(=O)CCl)nc3c2oc2ccccc23)c1 587356910 BXCOTTQRMSHLMK-QHCPKHFHSA-N 470.956 6.295 50 1 JKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)s1)CC2=O 587493841 IBFOIKOTEZEICU-KRWDZBQOSA-N 460.187 5.424 50 1 JKGF CCOC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(CC)c1C 587544522 OAGPZDPHJMAOHU-ATIYNZHBSA-N 483.948 5.103 50 1 JKGF C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556943 LCVFLGVZUNDRPI-MIZPHKNDSA-N 475.285 5.397 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 587714231 DUKVWIVAWBFMAX-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF C[C@H]1[C@@H](O[C@@H](C#N)c2ccc(Br)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 102999759 XHCQQXDIZNDAGY-QRZMCJGMSA-N 478.383 5.238 50 1 JKGF C=CC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O[Si](C)(C)C(C)(C)C 195496391 PDZQQWOKWNFHNM-VURPSTOHSA-N 496.797 5.039 50 1 JKGF Cc1cc2c(cc1C)C(Cl)=C(C(=O)N/N=C\C1=C(Cl)c3ccccc3CCC1)CCC2 299819167 BLUAGKZIFHOJQY-FDVSRXAVSA-N 453.413 6.678 50 1 JKGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)cc1 299847766 QBXRMJNGTOCGLP-OJJQZRKESA-N 493.438 6.164 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(F)cc1 587332356 KXVZOYRQYSPDFC-RBBKRZOGSA-N 479.704 5.973 50 1 JKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 587496652 JFXIMBDNFFFHDM-ZOUOIUENSA-N 464.400 5.110 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(Cl)ccc(F)c1Cl 587553061 DKGMKVRCYGZDJQ-DYESRHJHSA-N 453.680 5.934 50 1 JKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 587616970 IFIUWSHJLKZJMD-HYBUGGRVSA-N 481.367 6.167 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 587686360 UNFDKJSFFHEWFO-WHEQGISXSA-N 460.778 5.738 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cc(F)cc2F)N1 587722510 SBFLJIWKHWLTTG-CQLKUDPESA-N 467.098 5.178 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 587727013 AYZKJGZMBMZWPW-WVDJIFEKSA-N 499.149 5.006 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2nc3ccccc3s2)N1 587855125 FVQANJOZTMXPQN-XTZNXHDOSA-N 470.205 5.371 50 1 JKGF COc1ccc2c(ccn2CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 1857537373 VSFTVOLCJYXVAX-UHFFFAOYSA-N 478.596 6.814 50 1 JKGF CC(C=O)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](OC=O)C(C)(C)[C@H]1C[C@@H]3O 2356324144 GYBAQGGQWHOTNZ-CCBYZIAESA-N 498.704 5.989 50 1 JKGF CC(C)=CCCC(C)=CC=CC(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356562327 UXUZTOWVOFDKQQ-JBOQNHBVSA-N 456.711 7.417 50 1 JKGF CC(C)=CCCC(C)=CCC[C@]1(C)[C@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 2356648943 UWOQPCLHJDMFFV-HYZYYIOASA-N 487.478 7.509 50 1 JKGF CCN(CC)c1ccccc1/C=C/[n+]1ccc(CCCCI)c2ccccc21 72137764 VFZXIFKRRGUIMQ-LVZFUZTISA-N 485.433 6.359 50 1 JKGF CCC[C@@H](Br)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O 114389928 WAWBEUIRFZJIGH-GFCCVEGCSA-N 463.995 5.482 50 1 JKGF C/C1=C(/CCO)SS/C(CCO)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O 195519961 SDZBPJBCZNNPSA-MBALSZOMSA-N 486.744 5.427 50 1 JKGF CCOc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1OC(F)F 587130938 RLVXSBKABUAVBR-XBXARRHUSA-N 456.383 7.391 50 1 JKGF O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325781 ZEUOMMSOISDBTO-SVEHJYQDSA-N 498.893 5.757 50 1 JKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 587497090 JYJXIKRZWPUWCE-AREMUKBSSA-N 498.848 6.835 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 587543588 COMRFQQAGYDQBM-NQIIRXRSSA-N 497.238 5.802 50 1 JKGF CC(C)Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674622 YFBSHNFSMXSXSE-QKKBWIMNSA-N 469.236 5.959 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 587719305 KYYWNYUOKWZLPS-QGHHPUGFSA-N 497.124 5.660 50 1 JKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963194504 NAAMLMVWWCIOAE-PEXXQYNDSA-N 487.485 7.134 50 1 JKGF O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)NCCc2cccc(Cl)c21 963391435 SZXDCGCSRHXIHW-NDEPHWFRSA-N 458.388 6.824 50 1 JKGF CCOC(=O)C(C)(C)[C@@]1(CBr)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818179 RXRUMTPYJPVZKQ-VWLOTQADSA-N 485.422 5.072 50 1 JKGF O=[N+]([O-])c1cccc2c1ccn2CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857536935 PKBNRBFMKKOUJH-UHFFFAOYSA-N 493.567 6.714 50 1 JKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)C1=O 1857773402 NJGNLISLZUTSFV-OAQYLSRUSA-N 483.008 6.287 50 1 JKGF COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC 12971210 QRIJMMZDMSUYIQ-JVWAILMASA-N 472.570 5.003 50 1 JKGF CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 96085350 UWOQPCLHJDMFFV-FXSXARLRSA-N 487.478 7.509 50 1 JKGF in-vitro N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933466 IUAUQYQJLPKKHM-DQEYMECFSA-N 475.939 5.859 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933843 ASNSVMQMWUEOST-HURDLCFYSA-N 488.603 6.231 50 1 JKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 196038817 BHEMHJCDAHJAOZ-GPVRPLDASA-N 474.846 8.507 50 1 JKGF C=C(C=O)[C@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)=C/[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 238783170 JNXDHAJFIDNOLG-FBBVRNNOSA-N 470.606 5.244 50 1 JKGF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NN(C)c3ccccc3)[nH]c3ccc(Cl)cc23)c1 299821966 CSSYYMDTOQBMBE-UHFFFAOYSA-N 467.978 5.052 50 1 JKGF [O-][n+]1ccccc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586968691 BWDJAYYQPCLTCA-UHFFFAOYSA-N 462.263 5.909 50 1 JKGF Cc1cc(/C=C(\C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057809 WZSBTFMCIAQHGI-KPKJPENVSA-N 479.264 6.898 50 1 JKGF Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587330793 ILJDJLQPJOSQFC-FYYLOGMGSA-N 459.286 5.628 50 1 JKGF O=C1c2ccc(O)cc2O[C@](C2CC2)([C@H](Br)c2ccccc2F)[C@@H]1c1ccc(F)cc1 587337733 VPXRRJWXMVKVCQ-GPXOXTDOSA-N 485.324 6.314 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)O2 587373606 MHESLYBKRMYGDW-GYCJOSAFSA-N 452.348 6.014 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Cl 587571227 ZYLIOZOCFHOSPE-RXVVDRJESA-N 463.686 5.437 50 1 JKGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587676330 GMNKWRTZEBPQJB-MGNBDDOMSA-N 477.599 5.376 50 1 JKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F 587725878 SJTRKFCFDDHDSP-LFPIHBKWSA-N 493.823 6.460 50 1 JKGF ClCCCCCC[C@]1(c2cccc(I)c2)NCCc2nc3ccccn3c21 962987518 NBGXFEGADMYRDF-JOCHJYFZSA-N 493.820 5.518 50 1 JKGF CCC[C@@H]1C[C@H](Cc2cn(Cc3nc(C(=O)OC)co3)nn2)C[C@H](O[Si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c2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447635 VBONCXOBVCFWSB-RHJHZWHGSA-N 492.494 5.794 50 1 JKGF CCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)OCCCCl)cc1 43411804 AWRNZQKCDUULBF-ZBJSNUHESA-N 465.118 8.732 50 1 JKGF C[C@H](CCCCNC(=O)CBr)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C 49803777 BNGLAWNKYUIJKN-AABZZBOGSA-N 496.530 5.279 50 1 JKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccccc1)OO2 64235725 OBQTTZCUGXTGTA-OPOGEMIPSA-N 451.566 7.309 50 1 JKGF N#C/C(C(=O)Nc1nc2ccccc2s1)=C1/SC=C(c2ccccc2)N1c1ccccc1 64516304 RQTGXWVJKBDATB-CLCOLTQESA-N 452.564 6.222 50 1 JKGF O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)cc3F)nc3ccc(O)c1c23 586988761 PZGFCODZBZLOMD-QGZVFWFLSA-N 466.281 6.109 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 587324043 VQBNAYHTEHNIQF-UNMCSNQZSA-N 472.266 5.089 50 1 JKGF CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373891 UHDDWFWILVORBS-DHIUTWEWSA-N 483.823 5.734 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(F)c(Cl)c3)c1C)CC2=O 587466100 JVXGZCDEXVJREH-RUZDIDTESA-N 476.375 6.644 50 1 JKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496428 CTDIUGLONARNDD-OFSOJUDTSA-N 475.028 7.238 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1nc2ccccc2s1 587619361 SAGSWEWHLPPBKH-GCJKJVERSA-N 468.328 5.254 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 587673849 QTKYPYRUZIPLBZ-SPLOXXLWSA-N 482.235 5.361 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 587682164 BPQYSQBHYQRPPV-BSEYFRJRSA-N 456.786 6.176 50 1 JKGF COc1ccc2c(c1OC)[C@@](C)([C@@H](Cl)C(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674697 YMYZGUZASJPNCK-GMAHTHKFSA-N 469.931 5.900 50 1 JKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1C 1772612474 GSLXULZJVUBYKZ-QHCPKHFHSA-N 496.451 6.280 50 1 JKGF C=C(C)[C@@H](CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C)OO 2356540961 MNBULVJBKRSNLP-SMYMILSTSA-N 458.727 7.637 50 1 JKGF O=C(CCCC[C@@H]1CCSS1)NCCCCCNc1c2c(nc3ccccc13)CCCC2 13607675 TYGMTYRXRCSMAH-HXUWFJFHSA-N 471.736 6.526 50 1 JKGF CC1(C)CC[C@]2(C#N)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 38145623 VKTPMWHWKXESHY-DQISISCWSA-N 472.673 6.730 50 1 JKGF CCN(CC)c1ccc(-c2ccc3cc(-c4ccc(CBr)cc4)c(=O)oc3c2)cc1 71318800 CDWQJARGJGHODN-UHFFFAOYSA-N 462.387 6.868 50 1 JKGF C=C(C)[C@@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO 255272307 UWIHHQICCZWZDL-RDWRZFHASA-N 492.741 5.969 50 1 JKGF O=C1C[C@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 587004550 WRISOYIXQMVGNA-VIFPVBQESA-N 483.256 6.618 50 1 JKGF CCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671784 ATAADIJVNHEKQC-CWTRNNRKSA-N 457.181 5.160 50 1 JKGF CCCCCCCCc1ccc([C@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587683490 HJJJQRBEZRYHTN-SIBVEZHUSA-N 494.920 7.898 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 587684588 LFVCTLCNAQDLPA-FPTDNZKUSA-N 464.762 5.529 50 1 JKGF CC(C)[C@H](C)[C@@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356694949 ODNLAFZGXZAPKY-LTBKBQTMSA-N 456.711 6.944 50 1 JKGF COc1ccc(C(c2ccc(OC)cc2)C2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 49762409 XHDJSUKDEMSOOA-UHFFFAOYSA-N 476.529 5.655 50 1 JKGF C/C(=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CC/C=C(\C)CO 238780276 ADDJEJWGIYLORW-OJNYRCPHSA-N 497.415 5.055 50 1 JKGF Fc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3C[C@H](Cl)c2ccccc2)c1 299859218 FMSOZEKXLIPXKV-NRFANRHFSA-N 468.001 6.724 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 587372773 GGCNNMZCBVWGPW-UYAOXDASSA-N 467.743 5.896 50 1 JKGF N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587378765 WNCQBNNDORJBQJ-CTNGQTDRSA-N 458.308 5.114 50 1 JKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419831 ZUVLRACMUOIYGV-FKIGELJASA-N 497.473 6.951 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cn(C)c3ccccc23)N1 587673791 PZBNSSGNALVADV-ODXCJYRJSA-N 466.192 5.253 50 1 JKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F 587712195 ZYZKQCMWKTYOGB-YPMLDQLKSA-N 467.732 5.585 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(F)cc2)N1 587728850 FZDJGZJTHYJABS-CWTRNNRKSA-N 459.172 5.680 50 1 JKGF COc1c(C)cc([C@]2(CBr)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1C 963188469 ASTWFMUYSKNTAO-XNMGPUDCSA-N 475.430 6.074 50 1 JKGF COc1ccc2[nH]cc(C(=O)/C(C#N)=C/C=C(\Cl)c3cc(OC)c(OC)c(OC)c3)c2c1 1772589061 WMVRKRCVBOFRIM-COEFKYOESA-N 452.894 5.115 50 1 JKGF CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C(C=O)=CC(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O 2356395775 WHXSEQZSHBSMSL-JZQYXDLISA-N 468.678 6.189 50 1 JKGF CCCC[C@@H](/C=N\NC(=O)N1CCc2ccccc21)NC(=O)OC1(Cc2ccccc2)CCCC1 37858413 CUBTWRAEDWNWHM-GDAFIIBNSA-N 476.621 5.585 50 1 JKGF CC(C)=CCC/C(C)=C/CN1C2=C/C(=C(/C#N)c3ccccc3)C(=O)C(C(=O)O)=C2Nc2ccccc21 85598123 OUFOYESJSNKGDB-BUUFFXLRSA-N 491.591 6.394 50 1 JKGF CC(C)[Si](OC1=CCC[C@H]2NC(=O)[C@@H](Cc3ccc([N+](=O)[O-])cc3)[C@@]12C)(C(C)C)C(C)C 195515393 YDMXKIHCINZRAJ-TZBSWOFLSA-N 458.675 6.128 50 1 JKGF COC(C)(C)[C@@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586971167 NYNSBLGIOOHNBU-KRWDZBQOSA-N 468.189 5.765 50 1 JKGF C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334740 PTWNFXVCGRLRLW-BCVJKOPXSA-N 495.266 5.986 50 1 JKGF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O 587460846 PMXOLKFECJUGBZ-UIOOFZCWSA-N 490.427 5.869 50 1 JKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587499695 OEJRNFBCRJKKBC-JNHSIYEJSA-N 482.256 5.866 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C2CCCCC2)cc1 587539950 YXHDSABQKVIEST-RPLLCQBOSA-N 493.397 6.692 50 1 JKGF Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCBr)cc1 587625242 DBRAKMVNDRBSQS-UHFFFAOYSA-N 454.183 6.949 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 587712651 PYQJMLIDEWWSCR-YRUZYCQGSA-N 495.152 6.168 50 1 JKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(F)(F)(F)(F)F)cc2nc[nH]c12 587895945 YKBWFIQNEHYBDK-UHFFFAOYSA-N 484.277 6.238 50 1 JKGF Fc1cc([C@@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)ccc1Br 963110414 PMKWODSRRRPOKE-MRXNPFEDSA-N 467.991 5.679 50 1 JKGF CCCCC1(CCCC)C[C@@H](CNCCCNc2ccnc3cc(Cl)ccc23)[C@@](C)(OC)OO1 1857585230 CIVKDWVZTOYLOI-LVXARBLLSA-N 492.104 6.730 50 1 JKGF 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@@]34C=C[C@@]2(C1)OO4 1857744557 IAGJCHVWRDYFLU-HMJWTGHZSA-N 458.683 7.022 50 1 JKGF COC(=CC(C)C)c1ccc2oc3c(c(=O)c2c1O)C[C@@H](C(C)(C)OO)Oc1cc(O)ccc1-3 2356627869 YZFGJZUNKIWAAI-NRFANRHFSA-N 468.502 5.086 50 1 JKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](I)[C@@H]1CCC(=O)O1 13462698 JVGLFGABRWZJME-VSHOBBMYSA-N 454.392 6.637 50 1 JKGF COc1ccc(CCNc2nc(SC)nc3c2cnn3C[C@H](Cl)c2ccccc2)cc1 28862048 JFHHIPMWDZMUBP-FQEVSTJZSA-N 453.999 5.192 50 1 JKGF CC[C@H]1Oc2oc(cc(=O)c2Br)CCCCC#CC/C=C\C/C=C\C[C@@H]1Br 140482740 UGBPUPWKCCXBOM-NIYQYBHXSA-N 498.255 6.336 50 1 JKGF COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(C=C(C#N)C#N)s4)cc2n3C(C)(C)C)cc1 299823187 DDAJQIAOPFGFGL-UHFFFAOYSA-N 499.686 8.507 50 1 JKGF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586878649 IFDFFEPTNCZVIP-UHFFFAOYSA-N 454.420 7.561 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587035879 VKYRJVLIQNLHLZ-LBPRGKRZSA-N 475.302 6.901 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587319502 BXSPJSCTVLMKFN-UNMCSNQZSA-N 472.266 5.089 50 1 JKGF CC(=O)NCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325389 DTDLQLDMIZNQGA-BDYUSTAISA-N 481.951 5.093 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 587374590 KXLSDVCVUHHIGS-RCZVLFRGSA-N 482.964 5.889 50 1 JKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415324 RCWTYCKDFVEQRQ-HHHXNRCGSA-N 495.044 5.912 50 1 JKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587496822 FVEAEGNRWKWIKH-KYJUHHDHSA-N 470.012 7.450 50 1 JKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCl)c2c1 587621556 VTEODCZYERPFJQ-UHFFFAOYSA-N 489.912 5.430 50 1 JKGF COc1cccc(COC2=COC(CCl)=C[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587683784 IBKVQOMRDMOPEA-PSLXWICFSA-N 494.788 5.537 50 1 JKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689774 WAMLOGOUGXJHAO-CPJLOUKISA-N 489.860 6.629 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Cl)N1 587734775 VPMFJVUSNDYOEN-XLFHBGCDSA-N 465.563 5.553 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)c2nc(-c3ccccc3)cs2)N1 587852203 FBTPOMYVXSWERQ-OLPMXTGOSA-N 490.829 5.987 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1ccc2c(c1)C(C)(C)CCC2(C)C 963244397 WONDTBGYXJQOQE-NGOKVRLYSA-N 468.523 7.331 50 1 JKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCCCCCl)c1cccc(Br)c1 963579268 HSEMRVIXZHUFBV-MWTRTKDXSA-N 466.847 6.043 50 1 JKGF O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cc2c(cn1)[nH]c1ccccc12 1857631844 VJWFLIWOPNVKQV-IPPBACCNSA-N 499.368 5.822 50 1 JKGF COC(=CC(C)C)c1ccc2oc3c(c(=O)c2c1O)C[C@H](C(C)(C)OO)Oc1cc(O)ccc1-3 2356627870 YZFGJZUNKIWAAI-OAQYLSRUSA-N 468.502 5.086 50 1 JKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3cccc4ccccc34)CC2)OO1 43393451 AHZQMAQQOQKVRB-SAUKLMCDSA-N 477.604 7.618 50 1 JKGF C[C@H](c1ccccc1)N(Cc1ccccc1)SSN(Cc1ccccc1)[C@H](C)c1ccccc1 84756930 GTZZHTYBLFCCIT-CLJLJLNGSA-N 484.734 8.725 50 1 JKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1 299836774 NUWXJXQYBNXJBM-VWLOTQADSA-N 482.536 5.407 50 1 JKGF Cc1cnc(Cl)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587056793 RPCBFMWXTSULBH-OVCLIPMQSA-N 456.764 6.698 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)CC2=O 587463085 VYDUQJONURKYHF-LJQANCHMSA-N 477.704 6.273 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1scc(Br)c1Br)CC2=O 587494855 YXXYYEDRKKRKRV-QGZVFWFLSA-N 494.632 6.031 50 1 JKGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587673545 ODGKREYYFYEJHP-MGNBDDOMSA-N 477.599 5.423 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 587683905 IITQTJLRBJZLFD-DMZKTXOQSA-N 467.810 5.589 50 1 JKGF CC(C)c1nn(C)c2c1[C@](c1ccccc1)(c1cc(S(F)(F)(F)(F)F)ccc1N)NCC2 962917045 KILVYUGMDUFUBI-QFIPXVFZSA-N 472.527 6.221 50 1 JKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857582603 QXLPMFDVNVFTTC-QGZVFWFLSA-N 490.372 6.003 50 1 JKGF COc1ccc(/C=N/NC(=O)c2cc3c(cn2)[nH]c2ccccc23)cc1OCc1ccccc1 1857752241 OYQZWRNCSVHQIL-WKULSOCRSA-N 450.498 5.068 50 1 JKGF C[C@@H]1C(=O)OC(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(CO)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]12C 2356403602 PAWRHQGDEKISOW-ISKORLNTSA-N 472.710 6.540 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCOc3ccc(-c4ccccc4)cc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 43532479 RYOMAGVHKYFYEE-QCMFQNSLSA-N 478.629 6.416 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 587056169 ZOHDRHDLBFCPNY-PLNGDYQASA-N 494.110 8.460 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1 587329448 XVLPCVLKEFTHSX-WSTWLONLSA-N 454.969 6.474 50 1 JKGF C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333225 MQNMJRGVAWZCHI-WMTXJRDZSA-N 473.313 5.794 50 1 JKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669162 AVYVOCZWPOHAFF-CECALHEMSA-N 498.234 5.498 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2)N1 587674243 VIBRTARYGQUTDU-BMLIUANNSA-N 492.024 5.523 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 587856020 LQQUIFBJKXHJPL-QOUCWCFFSA-N 478.818 5.898 50 1 JKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963179649 MNMDPRNBWXRTAC-XLIONFOSSA-N 457.279 5.230 50 1 JKGF Cc1ncccc1-c1cc(C(F)(F)F)cc([C@]2(C(C)C)C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 1772609099 ZXBGEBRVAZGYKC-HSZRJFAPSA-N 453.468 5.136 50 1 JKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356311959 ZELACZPTWWTTFT-CLCJHQKOSA-N 467.488 6.177 50 1 JKGF CCCCCC=CCC=CCCCCCCC=C(C=O)CCCCCC=CCC=CCCCCC 2356759086 HMUAHONCSYYFES-UHFFFAOYSA-N 482.837 11.568 50 1 JKGF CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118921744 NUVDETAVXDNNIF-BIOFZXESSA-N 452.639 6.203 50 1 JKGF Oc1ccccc1C1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 586896999 OUDMVFHPOFNOIY-UHFFFAOYSA-N 455.246 6.768 50 1 JKGF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586924863 BQLNHKPMPLEFQE-UHFFFAOYSA-N 454.442 5.439 50 1 JKGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O 587423965 MGPJJAHKVYUXRL-XTZNXHDOSA-N 490.550 5.288 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2Br)N1 587680166 SQOJWRFNDNNDMX-VOJFVSQTSA-N 461.600 5.562 50 1 JKGF COc1ccc2cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl 587686979 YEWDRPBPABZFQG-VERVWZFWSA-N 483.208 6.420 50 1 JKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 587857183 ZZZHPXKRYLPHTG-WSVYEEACSA-N 482.850 5.777 50 1 JKGF Cc1cc(C)c(C)c([C@]2(CCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1C 963200741 RYDGFHHTSYBLSF-WIYYLYMNSA-N 460.323 5.674 50 1 JKGF Cc1cccc2c1[C@]1(C[C@H]3CC[C@]1(CCl)C3(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863556 ZBDVGBSWBYMGKB-ZANFTXAPSA-N 462.030 5.892 50 1 JKGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@@]1([C@@H]1c2ccccc2-c2nc4ccccc4nc21)CC3 1857761785 IBELYMKETBKMMO-WBBHLRKXSA-N 479.543 5.324 50 1 JKGF Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 169310625 PVWMJURKZHBAEB-JOCHJYFZSA-N 491.382 5.187 50 1 JKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccccc3F)ccc21 299857854 DEHYQCPDFGETEJ-CCVNUDIWSA-N 469.347 6.323 50 1 JKGF C[C@@H](Br)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587504532 FCXHEHDEMSCYRP-LRTDBIEQSA-N 453.298 6.228 50 1 JKGF CCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671786 ATAADIJVNHEKQC-HXPMCKFVSA-N 457.181 5.160 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 587677914 AXWWSGAOZXOOCF-PSLXWICFSA-N 458.758 5.793 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 587715612 IIDUNIVYQPGJAC-RBHXEPJQSA-N 467.098 5.178 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 587855894 KOBVYMURXBJSIY-DFRXQBLXSA-N 499.236 6.163 50 1 JKGF C[C@@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)c2ccsc2CCN1Cc1ccco1 962714322 ZEIYYRKFYFFSRI-CRICUBBOSA-N 457.039 6.255 50 1 JKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCCCl)c1cccc(OC(F)(F)F)c1 963235562 XAEKJBJQEOOLCA-DVECYGJZSA-N 453.976 7.285 50 1 JKGF O=C(CCl)Nc1ccc(-n2nc(OCC3CCCCC3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857752960 SQIMLYXHYCNWTO-UHFFFAOYSA-N 493.822 6.378 50 1 JKGF CC(C)=CCCC(C)=CC[C@]1(C)[C@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356805952 VLDCWRGHDGBLAQ-NOOIUNMQSA-N 473.451 7.466 50 1 JKGF CO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40685658 KESSVMVGVYXMGU-LPTBLHRZSA-N 460.477 5.265 50 1 JKGF CSc1ccc(-c2csc(C3=C(C)[C@@H]4CC[C@@H](C)[C@@H]5CC[C@@]6(C)OO[C@@]45[C@H](O3)O6)n2)cc1 49783757 OZRBMIBFUMTAJY-HAUNOENPSA-N 471.644 6.509 50 1 JKGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277230 RBIVRGJGLLESQQ-KSMMKXTCSA-N 472.439 7.263 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 587381119 GFIVWKYSPTVLCJ-KRWDZBQOSA-N 482.218 5.870 50 1 JKGF CCCCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538531 PKALIIGIGSBLTI-RDGATRHJSA-N 483.358 5.823 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554180 JWOJCWJJRDSDPJ-HIDBYJOQSA-N 461.258 5.311 50 1 JKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674734 ZUSLSSIJCQDSAJ-BIBXISHDSA-N 466.192 5.551 50 1 JKGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629131 IWXDWLFSSHJDFU-SUYBVONHSA-N 479.023 6.104 50 1 JKGF COC[C@@H](CO)N(C)C(=O)CC/C=C/CCCC[C@H](Cl)CCCCCCCCCl 1911573227 IVCAHXJIJIGCFU-QJCDSOFHSA-N 452.507 5.926 50 1 JKGF O=C(N/N=C/c1ccnc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28642606 VZBWMMXOJWUTEV-KCSSXMTESA-N 460.581 6.015 50 1 JKGF S=C(Nc1ccc(Cl)c(Cl)c1)N1C[C@H](CBr)S/C1=N\c1ccccc1 82052393 NJGNEGPDTWGVBX-ODUIBEPXSA-N 475.264 6.190 50 1 JKGF O=[S@@](CCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 586958671 HCANWYIVKZZFIQ-SANMLTNESA-N 489.329 6.723 50 1 JKGF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587150152 KVWWSJXUIGYTDL-SSDOTTSWSA-N 479.215 7.401 50 1 JKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 587323330 QUWGMSHABSSTHE-ISKFKSNPSA-N 467.290 5.927 50 1 JKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 587325011 WCPIMUGSHCLONJ-OGPKSRJFSA-N 493.962 6.473 50 1 JKGF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 587325039 WJGHVLARBSMQMS-BKHJTQGXSA-N 497.953 7.247 50 1 JKGF COc1cccc(-c2cc([C@H](Br)Cc3ccccc3F)nc3c2oc2ccccc23)c1 587359674 FWKQWSVKDJJVEA-OAQYLSRUSA-N 476.345 7.474 50 1 JKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497375 CEFAQQDKGCSTPD-YEJXKQKISA-N 464.197 5.972 50 1 JKGF C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543122 JDVGGFVISMYWCO-DHLKQENFSA-N 451.906 5.227 50 1 JKGF COCCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587686314 CHYVOKSZGJUKPN-YEJXKQKISA-N 457.815 5.060 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 587711308 JURDEGWYLREMII-VOJFVSQTSA-N 459.306 5.599 50 1 JKGF COc1ccc2c(c1)C[C@H](Br)[C@@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963194114 SNBRVRXXAVVVTC-UODIDJSMSA-N 459.387 5.381 50 1 JKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O 2356476365 CKYPHBIOFUNLLX-CDTAUBPISA-N 470.694 5.998 50 1 JKGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(cc(O)c(C)c1O)C2=O 44361424 FSXIFSYEMGCEFU-ZBTFPREESA-N 493.427 5.857 50 1 JKGF biogenic C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323001 JANXQESYKKIJPX-REUXOYDMSA-N 495.978 6.398 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N=Nc3ccccc3)cc1)O2 587370460 BRMKLBJTKYHHTA-HSZRJFAPSA-N 450.336 6.248 50 1 JKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)O2 587375821 USMWYFKDFWBZSJ-XMMPIXPASA-N 499.792 5.473 50 1 JKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 587497097 JYJXIKRZWPUWCE-SANMLTNESA-N 498.848 6.835 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1Br 587538686 FUTHNCQFUHFHPG-KNQAVFIVSA-N 459.723 5.337 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)s1 587611093 FHYTXPURBUZYIO-VQIMIIECSA-N 496.176 5.468 50 1 JKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 587674527 XKYCRVGBKMHCDQ-ODXCJYRJSA-N 480.175 5.416 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 587687201 YZBDWEBCTVAOAF-RKNYENMMSA-N 470.769 5.698 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 587711752 LTAHEZQQCGMNAE-HUTHGQBESA-N 499.115 5.919 50 1 JKGF CC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI 45370470 RYRCDICIXHBQKE-OAHLLOKOSA-N 458.343 5.707 50 1 JKGF COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C(/C)c3ccc(C)cc3)n2)cc1 49803448 MCVXKMUVRGRZIJ-CAQPMQTCSA-N 469.520 5.812 50 1 JKGF O=C(N/N=C\c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1 103180677 CJJVBTLCOVVLEH-MNDYBZJGSA-N 458.443 6.166 50 1 JKGF CCCSSN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103214164 AMVLXWYFVJAKCS-UHFFFAOYSA-N 458.693 6.870 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586892419 WZOSQRRJHDBKFY-UGSOOPFHSA-N 465.285 7.354 50 1 JKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587328438 UMQVNAWPGKULOY-XCZPVHLTSA-N 458.916 6.692 50 1 JKGF C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338394 PUYATAHQQFXOMB-RBBKRZOGSA-N 474.422 7.463 50 1 JKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1)CC2=O 587459545 CZQLPCLPEYDKKK-LJQANCHMSA-N 461.249 5.758 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1 587565807 KTXRVNZDZNIWBL-UHFFFAOYSA-N 457.262 6.742 50 1 JKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587569344 HREIFYSPIOXSKL-SHQCIBLASA-N 477.919 6.035 50 1 JKGF CCOc1ccc(OCC)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587779097 XPJNIHMITRTAJI-UHFFFAOYSA-N 487.288 7.447 50 1 JKGF CSc1cc([C@@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)ccc1NC(C)=O 963194006 MULBLRNBGZNDOP-BDYUSTAISA-N 476.045 5.972 50 1 JKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=CC=O)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)O 2356485355 DCAWWGHVIJZCKX-MMLCNIQXSA-N 482.617 5.389 50 1 JKGF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@H](Cl)c1ccccc1 253637893 MRCDCNKAWBERBK-DQKMCMFPSA-N 457.035 5.528 50 1 JKGF O=C(NNC(=S)Nc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299826645 MYXGGXWXDFFDIC-UHFFFAOYSA-N 456.615 5.334 50 1 JKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 299834558 JWIPTDAUGXYONM-HURDLCFYSA-N 488.603 6.231 50 1 JKGF CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587322547 HMPYKZVCQWKPDI-UIJXRGEYSA-N 481.951 6.008 50 1 JKGF Cc1c(C)c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C 587325874 HHDTWXWSVBDQSY-AHKZPQOWSA-N 452.953 6.567 50 1 JKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537462 FQORMIRUEKEYES-OFNKIYASSA-N 489.749 5.615 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537582 IEHDIXFAIOBPLO-ZTWLPKFNSA-N 455.304 5.041 50 1 JKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccn2)s1 587612232 IZRDLKPIOFIEKP-QPPBQGQZSA-N 494.366 5.768 50 1 JKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccccc1OCC(F)(F)F)N(C)[C@H](C)C2 962576289 WSAUGGCYDNMKKI-SZNDQCEHSA-N 488.344 5.160 50 1 JKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 963238230 ZSGIDOZZJUZRHX-HFJWLAOPSA-N 474.998 7.252 50 1 JKGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 963260063 VWQWXSFBIZCUFQ-HHHXNRCGSA-N 471.472 6.682 50 1 JKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C(C=O)=COc2cc(Cl)ccc21 963862749 GDCVYDGKRANMJM-NIYFSFCBSA-N 483.948 5.004 50 1 JKGF C=C1[C@H]2CC=C3[C@H](CC[C@]4(C)[C@H]([C@H](C)CC[C@H](CC)C(C)C)CC[C@@]34OO)[C@]2(C)CC[C@H]1O 2356379717 GEAFSGSDFLIGRT-KHCVZLSASA-N 458.727 7.803 50 1 JKGF N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@H]1c1ccc(Cl)cc1 103216945 QIQVCSIVHJJFCO-KOGVQQCSSA-N 453.904 6.416 50 1 JKGF CC(=O)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@H]1[C@]1(C)CC[C@@H](Br)C(C)(C)O1 238748202 FLSDGNYXFPEZAL-GTLGIVGDSA-N 474.661 5.200 50 1 JKGF C/C(C=O)=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 257394335 CFBBUWFXWSYJHB-HHDBEXOVSA-N 454.695 6.837 50 1 JKGF endogenous,in-man COc1ccc(-c2nnc(-c3ccc4nc([C@H](Br)C(C)(C)OC)[nH]c4c3)o2)cc1 586970603 CUQNXMSBJWPDRZ-KRWDZBQOSA-N 457.328 5.150 50 1 JKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587027283 ADFRAUCCAYMGSU-UHFFFAOYSA-N 482.297 7.773 50 1 JKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 587687114 YYFVWUBULGYXMS-LFVRLGFBSA-N 489.772 6.180 50 1 JKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688245 JZDCBLUZNKZZKY-IZHWHUGBSA-N 475.833 6.321 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2nc3ccccc3s2)N1 587855124 FVQANJOZTMXPQN-MLCYQJTMSA-N 470.205 5.371 50 1 JKGF COc1ccc(Cl)cc1C#Cc1ccc(SSc2ccc(Br)cc2N)c(N)c1 587919407 NTBAKYYHOJQHSZ-UHFFFAOYSA-N 491.863 6.475 50 1 JKGF Br[C@@H](c1ccccc1)[C@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962669129 PCHVXLGQPVPEJU-WUFINQPMSA-N 454.411 6.879 50 1 JKGF CC1(C)CC(C)(C)c2cc(NC(=S)NNC(=O)c3ccc(OC(F)(F)F)cc3)ccc2S1 1857535005 ZGABJCQZISNVLL-UHFFFAOYSA-N 483.581 5.769 50 1 JKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)c3c[nH]c4ccc(Cl)cc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857589441 PGQXUTPHDCNPPI-PKXUGVEVSA-N 461.942 5.186 50 1 JKGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=C[C@H](C)C[C@H](C)CC)CC[C@@H]2C(=O)O 2356478582 JNXDHAJFIDNOLG-XYHHBGHJSA-N 470.606 5.244 50 1 JKGF C/C(=N/NC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 13108563 ZAAAZACELDYEIA-QQXSKIMKSA-N 455.967 5.190 50 3 JKGF c1ccc(COC[C@@H]2CCCCC23OOC2(CCCC[C@@H]2COCc2ccccc2)OO3)cc1 43706670 OZLGOWPHYWIEFJ-YBUAWYOBSA-N 468.590 6.103 50 1 JKGF COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCc2ccccc2)c2cccs2)cc1Cl 66124585 GIBZAOFBSLISKF-NRFANRHFSA-N 463.386 5.040 50 1 JKGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 169669527 DYVPYUVTOMKBQC-FFDCYUGXSA-N 482.024 6.532 50 1 JKGF C/C(=C\C[C@H](Cl)[C@@](C)(Br)CCl)[C@H](Cl)C(Br)Br 238737132 XELJFHNIOKSRIG-LEVWEFBBSA-N 480.293 6.046 50 1 JKGF CC[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 587185752 XGZSBUPLKBUEMZ-ZDUSSCGKSA-N 492.255 6.329 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 587685217 OLNQZSAEOJCXAB-YTEVENLXSA-N 463.778 5.211 50 1 JKGF COc1ccc2c(c1)[C@](c1ccc(Br)cc1)([C@H](C)Br)N(C(C)C)CC2 962092959 RPDQHEDATARUIQ-YCRPNKLZSA-N 467.245 5.751 50 1 JKGF CC[C@H](Br)[C@]1(c2ccccc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957543 OUEDKAYBGSLBBG-UGKGYDQZSA-N 468.357 5.774 50 1 JKGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccc(Cl)s3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772579371 OWYXRTXSAXDLSV-OAQYLSRUSA-N 478.927 6.147 50 1 JKGF CCC[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@H]12 1911581037 CZPFBLHFGKUTTQ-TXVKUACNSA-N 492.598 6.491 50 1 JKGF CC(C)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 12971212 GOFSCAUHNXGMPD-GLYRRZRCSA-N 499.596 5.919 50 1 JKGF C[C@@H](c1ccccc1)N(Cc1ccccc1)SSN(Cc1ccccc1)[C@@H](C)c1ccccc1 84756931 GTZZHTYBLFCCIT-UIOOFZCWSA-N 484.734 8.725 50 1 JKGF Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1 141404697 WKTBMWCHAMDMIB-QGZVFWFLSA-N 486.963 5.409 50 1 JKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1ccccc1)[C@@H](c1ccccc1)S2 169720171 JTXJGWAKNGSULP-OAQYLSRUSA-N 480.018 5.592 50 1 JKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587336643 UMZQIYMGEWOUSY-FYYLOGMGSA-N 475.285 5.328 50 1 JKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338599 XRCOOJCVDQKQAO-PTDPWNNISA-N 477.276 5.847 50 1 JKGF COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587538483 PHUJRUDMNRABQT-QIAKTKIMSA-N 485.330 5.050 50 1 JKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1C(F)(F)F 587550168 UCBMLFBPSSSGJN-RXVVDRJESA-N 479.248 5.663 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2N)N1 587676199 CUIDSBJZZIIMGT-MLCYQJTMSA-N 476.615 5.340 50 1 JKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Cl)N1 587843823 KMMCZCNQMONEFV-AYVTZFPOSA-N 453.602 5.476 50 1 JKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)c2nc(-c3ccccc3)cs2)N1 587854164 QHPNNWJMYXCSPF-XNVILDLWSA-N 490.829 5.987 50 1 JKGF CC(=O)Oc1cccc([C@]2(CCCCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963197227 YRMATSBVKKZLHV-WUFINQPMSA-N 458.989 5.997 50 1 JKGF CC(C=C[C@H](Cl)[C@](C)(Cl)CBr)=CC=NOCc1c(F)c(F)c(F)c(F)c1F 2356578306 MLESYUWZFTYAKV-APPDUMDISA-N 495.113 6.387 50 1 JKGF