smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 587672494 GHVQQPGPXIQPEI-RBZFPXEDSA-N 479.191 4.947 50 1 JJGF CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685271 PCEVYQQQNUKVFK-JLCFBVMHSA-N 467.810 4.674 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587685827 BHAWPJHFNUAIRA-LGZJRCCHSA-N 499.211 4.666 50 1 JJGF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2N)C1 586954282 ACHXFSXTSPFZBP-UHFFFAOYSA-N 468.473 4.787 50 1 JJGF CC(C)(NC(=O)CCl)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587009773 RSKYQIPAWSORAA-UHFFFAOYSA-N 456.827 4.563 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@@H]1c1ccc(F)cc1 587332142 JEJFJZASMGOHLF-VWNXMTODSA-N 467.859 4.744 50 1 JJGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C/[C@@H](C)C[C@H](C)CC)CC[C@@H]2C(=O)O 40860762 KFNRVRQZGWBRJR-RYQRREEWSA-N 456.579 4.854 50 1 JJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 587458453 BYQPUFYKBRBTIN-MHZLTWQESA-N 475.928 4.975 50 1 JJGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1 15934169 ZSVJHZBBJZICQN-ZMFRSBBQSA-N 470.298 4.700 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(C)o3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45288056 OYZBQRBMNDPHEC-QFIPXVFZSA-N 463.534 4.555 50 1 JJGF C=C(/C=C/C=C(\CO)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 73279966 PFWNRJSLKAVWGD-CCBZSRQKSA-N 486.693 4.970 50 1 JJGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1cccc(F)c1 1772607588 WHXSZRHBPNRFKA-NUEKQDCXSA-N 484.568 4.523 50 1 JJGF O=C(CCc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27630759 SXWDPZCLSFQDMI-UHFFFAOYSA-N 450.716 4.791 50 1 JJGF O=C(OO)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 299838526 UYSQJVRZCCNWBW-HHHXNRCGSA-N 475.585 4.778 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587559621 YASAADMHCBNCTP-KNQAVFIVSA-N 459.267 4.792 50 1 JJGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356531037 YDCMTTMWZFUDMR-GCNCNEDZSA-N 450.660 4.943 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl 85635095 OFHJKWNSOIQOPB-KPIFARQKSA-N 462.970 4.875 50 1 JJGF in-man O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1[N+](=O)[O-] 587539706 XPKNXCOUEUJRAD-GHTZIAJQSA-N 456.248 4.552 50 1 JJGF CCOc1ccc(/C=N/NC(=O)c2cc(C(F)(F)F)nc3c2c(C)nn3-c2ccccc2)cc1 1772601811 ZQPQJQXEUAOHHZ-CCVNUDIWSA-N 467.451 4.910 50 1 JJGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4nc(-c5cccc(F)c5)[nH]c4cc32)cc(OC)c1OC 1857772750 INLHGNBUZJFBEH-QHCPKHFHSA-N 472.476 4.613 50 1 JJGF O=C(CN1CCCC1)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 215609299 FTZFCUMFDNOCEU-UHFFFAOYSA-N 478.424 4.649 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@@H]2COc3ccccc3O2)N1 587672838 ILVRBOAAXUDCEW-RIPJAXHCSA-N 471.164 4.553 50 1 JJGF COc1ccc2c(c1OC)[C@](CCl)(Cc1ccccc1)N(C(=O)c1ccccc1N)CC2 963161107 XENNWXWOOXKGSI-AREMUKBSSA-N 450.966 4.661 50 1 JJGF CC(C)C(=O)[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 58587202 NFACUCXXPCCQNJ-QTANRZMXSA-N 465.005 4.623 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@H]1c1ccc(F)cc1 587325909 HNCLLAKRWDCDQP-WIOPSUGQSA-N 468.912 4.589 50 1 JJGF COc1ccc2c(c1)[C@](CBr)(c1cc(OC)c(OC)cc1Cl)N[C@@H]1CC[C@@H]21 962999651 ZBBAPMRIQHJMMF-FIKMYACPSA-N 452.776 4.854 50 1 JJGF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)[C@H](C)Cl)cc2)n1 1857638585 MPZUGFPFKBHCAG-LBPRGKRZSA-N 469.756 4.832 50 1 JJGF CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587328742 CFTIJMOZONLXHI-AHWVRZQESA-N 485.914 4.842 50 1 JJGF C[C@H](Br)C1([C@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537855 LBWFKAAGIDRFGB-ZIBATOQPSA-N 456.130 4.659 50 1 JJGF COC(=O)[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]12C(C)(C)C(Br)=C[C@H]1O[C@@]12C 2356456369 BDRYVLGCKMGCOO-JGGFBQJSSA-N 470.629 4.793 50 1 JJGF COc1ccc([C@H]2C(C#N)=C(N)N(c3cc(OC)c(OC)c(OC)c3)C3=C2C(=O)CC(C)(C)C3)cc1 45260582 VNBTWVAFQRZRDL-DEOSSOPVSA-N 489.572 4.662 50 1 JJGF CC(C)/C=C(\C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 149469172 PWODFMKTYXDDTQ-AUUUKSDWSA-N 499.550 4.618 50 1 JJGF Cc1cc(N2CC[C@H](Br)C2=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587891201 SFRPKTUNSOUKJQ-IBGZPJMESA-N 494.216 4.512 50 1 JJGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)[nH]c(=NCCN2CCOCC2)c1 1857642329 QKLTYLWGJQRQIN-ONEGZZNKSA-N 494.599 4.809 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 587674416 WLUDDDSTMMTABE-ZUOKHONESA-N 479.191 4.947 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)csc1C(=O)CCl 587896783 PQYWOYZDLHBIPF-UHFFFAOYSA-N 479.610 4.949 50 1 JJGF COc1ccc([C@]2(CCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1Br 962572770 QLIFAEOTMJIERG-LRTDBIEQSA-N 454.792 4.834 50 1 JJGF C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857544826 GHWZJVHIQCIJPK-INIZCTEOSA-N 463.421 4.647 50 1 JJGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2OC)ccc1O 45384611 LRSSUZBQVKNSAP-LUOAPIJWSA-N 494.857 4.984 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(N2CCCCC2)s1 587609760 DEIUGZIVHJDHAC-XXBNENTESA-N 456.951 4.935 50 1 JJGF CCOc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962633222 GGYFVOUIXTZGIZ-GIGWZHCTSA-N 452.554 4.551 50 1 JJGF CCCCN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587192749 BPLRYXIASXXMKG-UHFFFAOYSA-N 483.572 4.718 50 1 JJGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2cccc(Cl)c2)c2ncccc2c1 1772586787 FWBXNFZDDLJXPB-HNNXBMFYSA-N 470.961 4.513 50 1 JJGF CCOC(=O)NN=C(C)[C@@]12O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356735959 VIKPJRPSXXRSGV-FEFPDWHLSA-N 458.599 4.750 50 1 JJGF COc1cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(C(C)C)cc3)c(OC)c2)ccc1O 29126446 NSNJCBUWGKCETD-RWPZCVJISA-N 478.545 4.884 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3oc2=O)N1 587673446 MVXHPAJUZSVDKP-GIPWTMENSA-N 481.159 4.867 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 587682215 RGPMQVKREGOYFM-OVWNDWIMSA-N 467.132 4.604 50 1 JJGF CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](c2ccco2)C(C#N)=C(N)O1 587746030 LBJMIMAVEVOLEZ-PABBHPJBSA-N 458.331 4.712 50 1 JJGF N#CC(=Cn1cc(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1nn(CCO)c(N)c1C#N 1857621667 HEHGUVJJPYPWAB-UHFFFAOYSA-N 477.355 4.703 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587672664 GYSZGUNRRWVZBB-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C 587681798 AVUTVQNCOVXHIR-SASJJMKUSA-N 465.794 4.902 50 1 JJGF COc1ccc(F)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587734754 VNJOFMQVUMVTFD-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587672539 GKODARZXADWBKX-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF 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(OC)cc1 169367317 YDLQDYFGDUDEQF-LWGRZFTJSA-N 490.593 4.914 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587686255 TUUNYJRJAJWJQG-WYAVIUHXSA-N 461.803 4.956 50 1 JJGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4[nH]c(-c5ccc(C)s5)nc4cc32)cc(OC)c1OC 1857765625 WBIAEXVKWHPBKA-QFIPXVFZSA-N 474.542 4.844 50 1 JJGF COc1ccc(N/C=N/C2=C(C#N)[C@@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313213 JDUQRIATYJXOKC-CLJLJLNGSA-N 484.604 4.830 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 587372049 JIXZHYNGDGICBF-IYJVBRSBSA-N 460.917 4.596 50 1 JJGF COc1ccc(F)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572026 QIKSRHIGCSKMPS-KNQAVFIVSA-N 459.267 4.792 50 1 JJGF O=C1CSc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 587617574 KJUQFXHUVGIKTA-OFNKIYASSA-N 453.903 4.532 50 1 JJGF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr 587674615 YCMJRMJZJCTIDS-WLRWDXFRSA-N 473.180 4.994 50 1 JJGF Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1 15986637 HKNHDYVECJFIRG-CFRMEGHHSA-N 451.939 4.732 50 1 JJGF COc1ccc([C@H](CCC(=O)O)O[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 169304607 ARXRTBLAHCPUGY-OYAQGEGBSA-N 476.566 4.826 50 1 JJGF COc1ccc([C@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-] 962701950 LVBGGUSNFQCOAS-YCRPNKLZSA-N 481.387 4.745 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)C(C#N)=CC=CC[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 255253651 OJCKRNPLOZHAOU-ZBKPWDDSSA-N 489.653 4.636 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(F)(F)C(F)(F)F 587549723 RJDJIGLTJCNMIS-SWLSCSKDSA-N 453.157 4.685 50 1 JJGF Cc1cc(Br)c(OCc2ccc(C(=O)NN/C=C3/C=CC=N3)cc2)c(Br)c1 38178085 QPNQNUSUYXDGFF-WJDWOHSUSA-N 491.183 4.815 50 3 JJGF N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C(\S)Nc1ccccc1 49046682 AUZLXLWOCJMXHU-HSHXNROXSA-N 492.560 4.527 50 1 JJGF NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586930850 ZVFCJLGPCILDFY-UHFFFAOYSA-N 467.239 4.625 50 1 JJGF CC(=O)Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538940 SGHFANGIKKKZTN-NZQKXSOJSA-N 468.303 4.603 50 1 JJGF CCOC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587673495 NHRXOUBMRLHRRA-ODXCJYRJSA-N 485.191 4.938 50 1 JJGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1O[C@@]12OC(C)(C)[C@@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356465814 IIQDOCHDDGPWEN-HUXRQEAXSA-N 481.372 4.885 50 1 JJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1cc(Br)ccc1O 299816577 GOANHEORXGMFQT-UHFFFAOYSA-N 495.402 4.947 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 587496065 HNFMVBNMSBHAOL-AVRDEDQJSA-N 450.373 4.674 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 587678246 CCFWIPKAXHZSCR-DGIBIBHMSA-N 464.132 4.928 50 1 JJGF N#CSC[C@@]1(c2cccc3ccccc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962666168 MMHRYYJVTGZGRZ-SVBPBHIXSA-N 453.567 4.944 50 1 JJGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)NCCc2ccc(C(=O)N(C)C)cc21 962922744 HBNOOJADDZTALA-RBZFPXEDSA-N 455.318 4.580 50 1 JJGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322153 GHBSTOJXHLLXJP-ONZOMOSCSA-N 467.880 4.744 50 1 JJGF CC(C)[C@@H]1C[C@H](OO)C=C2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 44418972 BDSVYFLMKBMVBZ-GMZHDCPSSA-N 496.280 4.524 50 1 JJGF biogenic C/C(=N/NC(=O)COc1c(Br)cc(Br)c2cccnc12)c1ccccc1 96910072 LXTZPQGXUJQZKA-FMCGGJTJSA-N 477.156 4.679 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 587735190 WYXPADKBCVGOLJ-XAILHKCVSA-N 489.154 4.743 50 1 JJGF CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(C(=O)NN)c3)c(=O)c3ccccc23)c(O)c1 587659958 ADIZRRBPKMVVBO-UHFFFAOYSA-N 499.615 4.768 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3cc4ccccc4o3)N12 962636824 JUSYQGATUONKEA-DNQXCXABSA-N 465.347 4.718 50 1 JJGF C[C@@H]1CC[C@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1cccc(F)c1)[C@@]2(C)Br 195302875 DFCFMQCTNPNDEL-JRYUJXOCSA-N 456.352 4.963 50 1 JJGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C(C#N)=C/c5ccccc5)[nH]c4c3)cc2)CC1 587187028 CKBMIXZZOPXZKU-NCELDCMTSA-N 490.611 4.669 50 1 JJGF CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587373232 HQYOSCLYNINOLU-UPVQGACJSA-N 473.953 4.765 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](Br)C2 587682065 MJECLRPBNIAZBI-WQZPPZBRSA-N 455.165 4.694 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1OCCCBr 587875679 ZRAYGXCDLDLRPY-UHFFFAOYSA-N 455.179 4.868 50 1 JJGF CCN(CC)c1ccc([C@]2(C(F)(F)F)Nc3cc(-c4ccc(OC)cc4)nn3C(N)=C2C#N)cc1 621477560 CIUIWFRAGPCREU-DEOSSOPVSA-N 482.510 4.939 50 1 JJGF CC(C)c1nn(C)c2c1[C@](CBr)(c1c(F)ccc(Br)c1Cl)NCC2 962915099 FTOFCFARUPVBFI-KRWDZBQOSA-N 479.619 4.883 50 1 JJGF O=C(O)c1ccccc1[C@@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963297 WSMHCSWBWBUUCY-OAQYLSRUSA-N 484.312 4.694 50 1 JJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c3cccnc3c3ncccc3c2[nH]1 587009613 NKDPBUNHWCDLJR-IBGZPJMESA-N 454.921 4.779 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O 587422693 QBNWHIJXYWQMHQ-KPZWWZAWSA-N 461.205 4.771 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587569651 RVHFPYTYZLDKCJ-DENIHFKCSA-N 459.267 4.792 50 1 JJGF CC(=O)N1CCc2sc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C1 587857715 MRSDHZLIICWZFP-YBTHPKLGSA-N 471.823 4.571 50 1 JJGF O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1nc(-c2cccc3ccccc23)no1 40395704 YHRUMSOPVAKVFG-UHFFFAOYSA-N 457.437 4.540 50 1 JJGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCBr)(c2ccc3c(c2)CCC3)N1 962691874 DOAZOAQNQKHSGJ-PZJWPPBQSA-N 486.303 4.961 50 1 JJGF CCc1ccc2c(c1)[C@@]1(C(C#N)=CO2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963411497 AYGSMRXGTPOBFM-QCDSWUKFSA-N 489.531 4.925 50 1 JJGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 82053214 XBJYMLKGSKANHQ-MRXNPFEDSA-N 472.347 4.761 50 1 JJGF COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 659549 IJWNWERQAQNHCU-DHRITJCHSA-N 469.335 4.882 50 3 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611375 IFNMIFDKWHGYAY-HVXFUGBPSA-N 487.961 4.832 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587673597 OQANYRBPILSDCH-LHSJRXKWSA-N 498.234 4.598 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587687224 ZDMFJHTZSDHUED-ZSEKCTLFSA-N 451.767 4.732 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769808 OREJGQBOBJNHJY-LFPIHBKWSA-N 499.384 4.504 50 1 JJGF CCCCCCC(=O)C/C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=N\NC(N)=O 17194891 VLDFLGIQZPTSMN-OLFWJLLRSA-N 464.610 4.950 50 1 JJGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 40447682 OUOFFBNPZIVGHE-DUDMTYOMSA-N 451.504 4.544 50 1 JJGF CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4ccccc4NC(=O)CCl)n3)cc2)CC1 584904819 NQUKOQARFOAHTI-UHFFFAOYSA-N 487.391 4.595 50 1 JJGF in-vitro CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672617 GQPSQWRNAQUQMK-FKIZINRSSA-N 485.191 4.938 50 1 JJGF Cc1c(F)ccc2c1[C@@](CBr)(c1ccc([N+](=O)[O-])cc1Br)NCC2 962093594 QGSAESYXLJUVHJ-QGZVFWFLSA-N 458.125 4.589 50 1 JJGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685476 QWRMWZQHADVJBP-LRTDBIEQSA-N 453.783 4.583 50 1 JJGF CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587685874 SAFSRKVGSPLUFC-MCMMXHMISA-N 465.794 4.904 50 1 JJGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962643981 SORFPMBYWFVCIK-OFNKIYASSA-N 475.850 4.855 50 1 JJGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O 2356874576 YXAXVZCQERJFJA-YHPBHDLYSA-N 484.677 4.987 50 1 JJGF CC1(C)OC2=C(C[C@@H]1I)C(=O)/C(=N\Nc1ccccc1)c1ccccc12 473112598 FOSNBDKIBNCCDX-BMCXAMSBSA-N 458.299 4.799 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)O2 587372547 MLRQUOBNMYPHJL-RUZDIDTESA-N 452.938 4.855 50 1 JJGF O=CC1=C(Cl)[C@@H]([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)CCC1 963449169 QKVKULHWGLENFS-XZOYJPPVSA-N 462.933 4.853 50 1 JJGF CCOCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751685 YYWOTQQBQQFPRV-UHFFFAOYSA-N 469.756 4.834 50 1 JJGF 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 103525224 WMQCTQIEIFEXIR-SYNXHTKOSA-N 459.725 4.947 50 1 JJGF biogenic,in-vitro CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586929219 RMZWLXOISZLBLU-UHFFFAOYSA-N 452.430 4.913 50 1 JJGF COc1cc2c3c(c1)O[C@@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@]4(C)CBr)[C@@H](C2)C3=O 587412929 KLGFTEDWJRIKHB-MPWRVLAISA-N 470.201 4.776 50 1 JJGF Cc1c2c(nn1C)[C@@](CCCCCCCl)(c1ccccc1C(F)(F)F)N[C@H](C(=O)O)C2 962707351 IQCZFJCQWGRHMK-GHTZIAJQSA-N 457.924 4.779 50 1 JJGF CCO[P@](=O)(F)CCC(=O)NCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 43938988 SBRQQXGNAFXLJR-YTTGMZPUSA-N 490.493 4.568 50 1 JJGF CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1cc(C)cc(C)c1 95595664 PNACQZUJZSWXRE-POEBIKTISA-N 470.574 4.975 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]2Br 587323501 KRRYLAFZQIDKIK-HDFUMHILSA-N 489.337 4.913 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)c(F)c1)[C@@H](C2)C3=O 587427737 UMQPVUSVFGONLK-SGTLLEGYSA-N 456.105 4.635 50 1 JJGF COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544958 PSWJXJAITCGAKS-QPPBQGQZSA-N 452.846 4.949 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 587729591 HLEDYECALLGQGZ-XVWMFJGMSA-N 489.154 4.743 50 1 JJGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1cccc(Br)n1 962378850 ZYVDPDZTDHVOFS-LJQANCHMSA-N 481.257 4.941 50 1 JJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923862 GQRRSVYIIHXNHY-NVQXNPDNSA-N 476.916 4.582 50 1 JJGF N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53243128 NSNOHUZFFPPPQP-DQEYMECFSA-N 454.578 4.821 50 1 JJGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(NCCc4nc5ccccn5c43)c3ccccc3C1=N2 962981057 DGCFUCMZQVKVHI-SSEXGKCCSA-N 486.579 4.874 50 1 JJGF COc1ccc2[nH]c(Sc3ccc4c(c3)[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(N)O4)nc2c1 64448203 YLVKTZYDXLCWNQ-QFIPXVFZSA-N 471.498 4.849 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587545940 TXGPOWRJQBXVBI-NQQGWXOOSA-N 463.917 4.786 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C 587681796 AVUTVQNCOVXHIR-IFMYKAFSSA-N 465.794 4.902 50 1 JJGF Cc1ccc([C@@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1C 962648656 WIXNHQYLIYPFSV-RPWUZVMVSA-N 453.380 4.589 50 1 JJGF O=C(NNC(=S)Nc1ccccc1F)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857617182 QWUROZLZLLJOJB-UHFFFAOYSA-N 467.913 4.828 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674604 YAKQSCUXKBOXLB-YBTHPKLGSA-N 482.191 4.646 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587681369 KQKVWPBCZZEPDC-COJOCNLBSA-N 475.196 4.602 50 1 JJGF COc1cc2c(cc1OC)[C@](CBr)(c1ccccc1OCC(F)F)N(C)[C@H](C)C2 962619577 DOOVZEANWAFKMC-PEBXRYMYSA-N 470.354 4.863 50 1 JJGF COc1cc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O 53242791 LNKKVTDEUXTOHU-GOTSBHOMSA-N 474.904 4.635 50 1 JJGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322401 GZHJNJWCLLNFJC-JCVZSFDNSA-N 453.897 4.529 50 1 JJGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322404 GZHJNJWCLLNFJC-UNGHYCQRSA-N 453.897 4.529 50 1 JJGF C=CCN(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1)C(=O)CCl 587897671 OMALXPGAGWTVTI-UHFFFAOYSA-N 469.821 4.519 50 1 JJGF COCC1=CC[C@](C)(CC=CC(C)(C)OO)[C@H](C=COC(=O)C=C(C)C)[C@@H](CC(C)=O)C1=O 2356665793 FLCCFFRXIUCVFQ-DRLORSAXSA-N 462.583 4.987 50 1 JJGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538084 NCQWHDVTWBOCIS-STUVRUMRSA-N 494.341 4.917 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 587721210 PEVYVUXRDQARLT-WNWIJWBNSA-N 465.107 4.745 50 1 JJGF CC[C@H](C)C[C@H](C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C[C@@H](O)[C@H](C)C=C(C)C=O)CO 2356844492 NVPXIJZSAVUDBQ-SLIPVSJFSA-N 464.687 4.616 50 1 JJGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(OC(C)=O)c2[nH]cc(C)c32)n(C)c1 1653511 CZQAXASQXBZSHD-IWAYRVGRSA-N 496.995 4.861 50 1 JJGF COc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 49767244 DCLARSBPMWIGTG-UHFFFAOYSA-N 492.528 4.759 50 1 JJGF COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl 85635097 OFHJKWNSOIQOPB-YHSRAHHVSA-N 462.970 4.875 50 1 JJGF in-man C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537851 LBWFKAAGIDRFGB-DEHFKTMOSA-N 456.130 4.659 50 1 JJGF CC(=O)Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538934 SGHFANGIKKKZTN-NFBKMPQASA-N 468.303 4.603 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545767 SJIHDFPFORPOPI-CKQQRQADSA-N 465.933 4.555 50 1 JJGF CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](c2ccco2)C(C#N)=C(N)O1 587743413 DPCOCZUEYGXSKL-FPPLRTBDSA-N 458.331 4.712 50 1 JJGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1cccc(F)c1 95569744 SYGMRGDKCWCFHM-VWLOTQADSA-N 455.489 4.759 50 3 JJGF O=C(NCc1ccccn1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8692097 ZCAMSYWSXCHJFH-FCEKVYKBSA-N 481.536 4.594 50 1 JJGF COC(=O)N(NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 35922306 XCCMZNKLKPVPJT-UHFFFAOYSA-N 484.556 4.760 50 1 JJGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(NCCN2CCOCC2)nc(Nc2ccc(C#N)cc2)n1 1857769822 USMIWWVKVKJROV-ONEGZZNKSA-N 495.587 4.782 50 1 JJGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43482070 RUOUFMQEGYSASU-SBRHDKPSSA-N 452.503 4.761 50 1 JJGF COc1ccc(Br)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 95809766 NWZDGMGHLCCBPO-BUVRLJJBSA-N 476.371 4.593 50 1 JJGF COC(=O)N/N=C(\C)[C@@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 102957211 AEKMAVFCRPYIEQ-KZNDPCMXSA-N 463.578 4.966 50 1 JJGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587671553 TYDDVNHAZQQXHN-RMDKCXRXSA-N 471.164 4.878 50 1 JJGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCCI 26005893 KIPNYWJLWBWXIJ-QAGMZRMBSA-N 495.445 4.576 50 1 JJGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl 34802459 HLMYMNIILJVXNP-JSMIYBGHSA-N 456.951 4.956 50 1 JJGF C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934098 AQXRRDKVVJWBBO-RELGLDOUSA-N 471.465 4.900 50 1 JJGF CCCc1c(O)ccc2c1O[C@]([C@H](C)Cl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O 587496334 WFBDFWZNIBYEPS-KVYZTJHFSA-N 451.972 4.788 50 1 JJGF O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857601641 YVSLGGVBTXNUDN-UHFFFAOYSA-N 494.920 4.597 50 1 JJGF C=C(C=O)[C@@H]1CC(=O)C=C2[C@H](OC(=O)C=CC=C[C@H](C)C[C@H](C)CC)CC[C@H](C(=O)O)[C@]21C 2356560160 PDQFETFKTODSNI-FUHXCUDMSA-N 456.579 4.854 50 1 JJGF N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1/Nc2ccccc2S1 49049423 YPQUBSLMSYKZOE-KUJABDJGSA-N 490.544 4.703 50 1 JJGF COc1cccc(C(O)(c2cccc(OC)c2)C2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)c1 49766425 AQMNFHDKMYQSLM-UHFFFAOYSA-N 492.528 4.759 50 1 JJGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(/C(C#N)=C/c5ccccc5)[nH]c4c3)cc2)CC1 587187445 HBNQOQNACONWJX-JJIBRWJFSA-N 476.584 4.627 50 1 JJGF CCCCCCCC[C@H]1CC2=C(C[C@H](CCCC=CCO)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356323676 DNJJFLDGXGVLGN-OALUTQOASA-N 490.593 4.718 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(C(=O)Cl)c1 587882630 IMFFWBZJGISHKQ-UHFFFAOYSA-N 459.554 4.845 50 1 JJGF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587227408 LZDWWOPBWWHLNS-UHFFFAOYSA-N 464.416 4.763 50 1 JJGF COC(=O)c1cccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587671716 AHULRTPCWRTHCN-WLRWDXFRSA-N 471.164 4.548 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685642 RCXLEWSNNMMPMP-QKVFXAPYSA-N 451.767 4.514 50 1 JJGF C[C@](Cl)(CBr)[C@H](O)CC/C(=C/Br)[C@H](Cl)CBr 205702907 YSWYAMBFCRENQC-WAANEEPBSA-N 461.847 4.801 50 1 JJGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CBr)(c2cc(Cl)c(Br)cc2F)N1 962918645 JEAWQYRSYXLGFU-DOTOQJQBSA-N 495.545 4.618 50 1 JJGF CC(C)[C@@H](I)N1c2ccccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F 29415834 WBGGDMQSCCCVLP-RDJZCZTQSA-N 462.253 4.577 50 1 JJGF O=C(CO[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 40899020 LNGSUUIMFLBVCA-QESWDSMOSA-N 495.370 4.555 50 1 JJGF CC(C)CN(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(C#N)ncc1Br 58568916 AILNZWMBGFHMHK-UHFFFAOYSA-N 450.340 4.585 50 1 JJGF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2Cl)N1C(=O)CCl 66112285 PFLGCQQXTNLMGZ-XLIONFOSSA-N 451.737 4.729 50 1 JJGF CN1CCc2c(Br)cccc2[C@]12CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2Br 963279284 FSZPIRLKCFOSPH-VOWSPCBNSA-N 488.264 4.973 50 1 JJGF 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=O)[C@]3(C)CC[C@@H]12 2356733502 AWDPTRZXHHZHKD-VYVNIPKWSA-N 470.606 4.921 50 1 JJGF COc1ccccc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 263590585 ZXOUXOZQSSSNRH-UHFFFAOYSA-N 464.978 4.989 50 3 JJGF CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71318085 GTHDRLFKDUOVDT-HXUWFJFHSA-N 466.708 4.568 50 1 JJGF CN1C(=O)CCc2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587497582 CXAQZUWSDQNENY-XMMPIXPASA-N 454.364 4.730 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 587674638 YJEAHQPDEIRVET-NSPYISDASA-N 471.164 4.532 50 1 JJGF Cc1[nH]c2ccc(F)cc2c1[C@@]1(CCl)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963148853 OYJCZJZGJBUKGO-ZHRRBRCNSA-N 479.961 4.801 50 1 JJGF CC(C)[C@@H]1C=C[C@H](O)[C@H]2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)CC[C@@]3(C)O 49762499 NGARUJAPZFEXDW-KKVUZGIASA-N 464.282 4.911 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O 587416754 DTKQAKQWJNJDJE-UQBPGWFLSA-N 451.906 4.713 50 1 JJGF CN(C)CCSSCCCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1 618010386 WKBFVTJUDFQRGO-UHFFFAOYSA-N 476.499 4.583 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)c2cccc(F)c2CCN1[C@H]1CCSC1 962721693 WCSCVQLGPJEHGL-OHEPNIRZSA-N 469.047 4.735 50 1 JJGF CC1(C)O[C@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@H]2C[C@@H]1Cl 2356622747 LUTUDNBLGPLGEH-HWZOXYCHSA-N 499.431 4.823 50 1 JJGF CC(C)C[C@H](NC(=O)[C@H](CCI)Cc1ccccc1)C(=O)Nc1ccccc1 1650917 YOXNXDPLKDMGEC-CTNGQTDRSA-N 492.401 4.840 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc([N+](=O)[O-])cc1Br)O2 587375442 SLYAIRCOHXZRBL-QGZVFWFLSA-N 470.117 4.504 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538085 NCQWHDVTWBOCIS-YNLFQQRNSA-N 494.341 4.917 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@H](C)C[C@@H](C)CC)CC[C@H]2C(=O)O 2356425345 KFNRVRQZGWBRJR-JYJHHWECSA-N 456.579 4.854 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587328827 VYMDMLVIZPQGCS-GBXCKJPGSA-N 457.885 4.756 50 1 JJGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544297 NQGIFWMCFTXCQU-GRMVFTJISA-N 479.960 4.945 50 1 JJGF CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 53297796 PRNPRCLDEVRYNN-ZEQRLZLVSA-N 471.948 4.987 50 1 JJGF N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53312668 CEPPEANFTHBOIN-MWZQOOLSSA-N 484.560 4.708 50 1 JJGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541300 ASNNZYLYMXQVOI-UTSGNWPNSA-N 461.942 4.881 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)CC(=O)O)N1 587670270 JQSRSACRFDNQBT-BAXPTACRSA-N 471.164 4.604 50 1 JJGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C2CC2)cc1 33560969 NULYENOSVPTJOG-CRICUBBOSA-N 463.965 4.540 50 1 JJGF COc1cc(Br)c([C@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1OC 58583814 VRRZUVLFYAQXAA-OAQYLSRUSA-N 477.318 4.690 50 1 JJGF Cc1cccc2c1C(=O)N(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 137733864 LBVODFFKYIUZJM-UHFFFAOYSA-N 450.498 4.585 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 587688711 NJXWFZNIPNHXKH-BRFDAWSFSA-N 461.766 4.854 50 1 JJGF O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(F)cc1 28708086 UMKKALCEIRFFET-AUEPDCJTSA-N 457.328 4.657 50 1 JJGF CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 103210670 WQDDCCUIZYQFCX-IAMBOQNYSA-N 473.535 4.955 50 1 JJGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(CC(C)C)c2c1 587618807 VYYVJQFOMGVUJF-UHFFFAOYSA-N 451.932 4.823 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 26004385 ZENXUIUPBLAJTM-LBYRQTAISA-N 497.461 4.800 50 1 JJGF CCN(CC)Cc1ccc(C(=O)O[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 103192732 VZBFEFSMHFQJGM-DUWINQEHSA-N 473.610 4.893 50 1 JJGF CN(C)C(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587370771 BCUOFOITNLHRLN-NZQKXSOJSA-N 459.926 4.788 50 1 JJGF O=C1CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587539333 VOLQKFZBKPETEF-ZJSXRUAMSA-N 480.314 4.529 50 1 JJGF CCOC(=O)/C(C#N)=C\Nc1ccc([C@]2(C)c3ccsc3CCN2Cc2cccn2C)cc1 962374414 PQMWIJHDSILURG-DPSOFRBRSA-N 460.603 4.791 50 1 JJGF COc1ccc2c(c1)[C@](CBr)(c1cc(OC)c(OC)cc1Cl)N[C@H]1CC[C@@H]21 962999649 ZBBAPMRIQHJMMF-DHUIEDIVSA-N 452.776 4.854 50 1 JJGF COc1ccc(Br)cc1[C@@]1(CBr)N[C@H](C)Cc2c(OC)ccc(OC)c21 963632015 DSZPLGDEEKCUIX-MPBGBICISA-N 485.216 4.648 50 1 JJGF COc1cc2c3c(c1)O[C@](c1ccccc1Br)([C@@H](C)Br)[C@@H](C2)C3=O 587415152 QEFMSSZPGOVPDQ-UOTLPGLASA-N 452.142 4.884 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)ccc1Br)[C@@H](C2)C3=O 587426119 LJSHDMRVBBFTFE-SCLBCKFNSA-N 456.105 4.635 50 1 JJGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671875 VLPYYXHCWJVQDA-ADYAMRHXSA-N 485.191 4.913 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587673606 OQFQZKDCINGXBF-RQUSPXKASA-N 477.212 4.836 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587685823 RQXMXQYQMZIIKB-YUNKPMOVSA-N 453.739 4.561 50 1 JJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](OC(C)=O)C[C@H](Br)[C@H](CC)O1 2356306679 POXMPQJRUHCCSF-JNNCMOEMSA-N 470.629 4.590 50 1 JJGF N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/Nc2ccccc2S1 49049419 YPQUBSLMSYKZOE-UQIZMXKTSA-N 490.544 4.703 50 1 JJGF CCCCCCC(Br)(Br)[C@H](O)C(Br)Br 166386852 WHZNJMBMGAIYNJ-SSDOTTSWSA-N 459.842 4.920 50 1 JJGF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4[C@@H](I)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714118 GATDMMIZAJMORD-YZSOODDLSA-N 498.449 4.541 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 587673925 RQCRSHRJIZFGNX-JEOXALJRSA-N 470.180 4.719 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587689746 VOCNTIUNKGEEIS-IFMYKAFSSA-N 465.794 4.902 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587673405 MPAJWHMLXZQRSE-ASSNKEHSSA-N 496.218 4.888 50 1 JJGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955411 KWVTYAKSGRGVKC-NPMXOYFQSA-N 467.915 4.855 50 1 JJGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587087795 URZFXXHCALRXDE-INIZCTEOSA-N 456.337 4.556 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O 587424048 WSFILARAWFURDB-RBZFPXEDSA-N 491.231 4.936 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673246 LRUXIUNHMHUQKS-LAJNKCICSA-N 496.218 4.670 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587685762 RPWZSCVIJBLSIX-CFMSYZGJSA-N 457.771 4.726 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 40631623 ZENXUIUPBLAJTM-FDTBGVKSSA-N 497.461 4.800 50 1 JJGF CCOC(=O)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)c1ccccc1 102095803 FPEQFAHPKQUFAG-NOGBIECSSA-N 460.567 4.906 50 1 JJGF CC(=O)NCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684090 KIJXSLTUMUGINE-PEBXRYMYSA-N 467.810 4.674 50 1 JJGF CC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Oc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 1857633560 GWOVPRGYAYOFAB-RWPZCVJISA-N 494.511 4.685 50 1 JJGF C=C1CC[C@H](Br)[C@@]2(C)[C@H]1[C@H]1[C@H](C(C)C)[C@H](OC(C)=O)C[C@](C)(O)[C@@H]1C[C@H]2OC(C)=O 2356422432 CJMZSYYBYRJMHN-AVJZGGHRSA-N 485.459 4.649 50 1 JJGF Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587537166 BLEFBHSURJTUQB-DENIHFKCSA-N 470.275 4.861 50 1 JJGF CN1C(=O)CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587539677 XHMCRLURAJULQO-WIOPSUGQSA-N 494.341 4.553 50 1 JJGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587672015 CJIQDJFSOFGRBE-NSPYISDASA-N 470.180 4.719 50 1 JJGF CCOC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587673496 NHRXOUBMRLHRRA-YUNKPMOVSA-N 485.191 4.938 50 1 JJGF COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 102327834 AGQRYQKGYUJRPN-VWLOTQADSA-N 486.597 4.622 50 1 JJGF CN1C(=O)CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587324957 BGFSFSTVCQJBPE-AHWVRZQESA-N 465.908 4.934 50 1 JJGF Cc1[nH]c2ccc(F)cc2c1[C@@]1(CCl)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148850 OYJCZJZGJBUKGO-AOMKIAJQSA-N 479.961 4.801 50 1 JJGF COc1ccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCC5)N3C3=C2C(=O)CCC3)cc1OC 1024956 PBWPXZIHLCJDJI-JOCHJYFZSA-N 486.597 4.709 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545770 SJIHDFPFORPOPI-HIXPLRPKSA-N 465.933 4.555 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 587672138 CYSJKJVPARDTIJ-HXPMCKFVSA-N 456.197 4.827 50 1 JJGF CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](c2ccco2)C(C#N)=C(N)O1 587746028 LBJMIMAVEVOLEZ-FXSLYZMRSA-N 458.331 4.712 50 1 JJGF O=C(Cn1c(C2CC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cc(Br)ccc1O 1772582363 FYUAMZSVIOKQMQ-LIMNOBDPSA-N 482.165 4.839 50 1 JJGF CC(C)=CC/C=C(C)/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O 140571752 BMPGBLDSYWACKF-JEGJQKMXSA-N 486.693 4.970 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)CC2=O 587455623 FAEVNOHUFHEQGP-JCQPUDPBSA-N 458.352 4.874 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1 587538106 NLKUFDVFTZISGE-RXVVDRJESA-N 456.248 4.552 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587685825 BHAWPJHFNUAIRA-LAECCNGNSA-N 499.211 4.666 50 1 JJGF C=C(/C=C/C=C(/CO)[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 33954820 XVFORSWJIMCHND-ADWNQYOQSA-N 486.693 4.970 50 1 JJGF biogenic,in-vitro COC(=O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587372816 GJMOOYLZVYLHKS-JTHBVZDNSA-N 460.910 4.802 50 1 JJGF CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672111 CXKGRMKMYFGPIX-BBATYDOGSA-N 465.201 4.692 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 587673927 RQCRSHRJIZFGNX-WLRWDXFRSA-N 470.180 4.719 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587689749 VOCNTIUNKGEEIS-VJBOLBCHSA-N 465.794 4.902 50 1 JJGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 618008179 TYFGRNBJWJZSPH-GOSISDBHSA-N 496.098 4.511 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(c4ccccc4CCC[C@@H]3Br)N12 962667470 OBKXRKZPSMDXEN-FTBPSBKWSA-N 465.391 4.677 50 1 JJGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)Nc1ccc(C(F)(F)F)cc1)=CCC[C@@]1(C)O[C@@H]21 1911584858 ROMCDQXUNLGMJO-QVTKTRSWSA-N 463.456 4.568 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672984 JJNNRAVUWZOSQZ-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587680750 IWZUSFMEFMMPFZ-RWTORFTKSA-N 492.227 4.722 50 1 JJGF O=C(O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324194 XABKVFYKLSIVGO-OFNKIYASSA-N 471.278 4.879 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 587674411 WLUDDDSTMMTABE-RBZFPXEDSA-N 479.191 4.947 50 1 JJGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 5582114 NUGMNCLGYDTDOA-QGZVFWFLSA-N 462.981 4.827 50 1 JJGF CCC(=O)C[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 71789543 QMFRHJRJIMWCEI-VOZJKYDVSA-N 465.005 4.767 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686955 DRHPHYHYCIVFOF-VVYDWRJNSA-N 467.810 4.672 50 1 JJGF COc1cccc(OC)c1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673269 LVJGAILBFSLYBQ-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)OO)C4)O1 70455567 FTIZDJNLUATQGK-IBGZPJMESA-N 452.459 4.627 50 1 JJGF biogenic,in-vitro CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(/C=C(\C#N)C(=O)N4CCCCC4)cc3)nc12 148995714 NZDDKWPNCMLSGD-QGOAFFKASA-N 456.550 4.850 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325724 GWTPLACAGSWNIS-SKPFHBQLSA-N 461.917 4.877 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 587682211 RGPMQVKREGOYFM-APBUJDDRSA-N 467.132 4.604 50 1 JJGF Cn1c([N+](=O)[O-])cnc1[C@H](Br)[C@H](Br)c1ccc(Br)cc1 44307406 BPPBPSKUILPGCY-GHMZBOCLSA-N 467.943 4.663 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1F 963190672 WSEPJFSTKIGILA-UGSOOPFHSA-N 496.682 4.744 50 1 JJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(Cl)nn1 963199751 YSHLRBNVPUVPEI-SIKLNZKXSA-N 453.771 4.891 50 1 JJGF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)[C@@H](C)Cl)cc2)n1 1857638584 MPZUGFPFKBHCAG-GFCCVEGCSA-N 469.756 4.832 50 1 JJGF CC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](CC)NC(=O)c1ccccc1 36176410 CEAQLKDYOYEPQY-VXKWHMMOSA-N 480.605 4.526 50 1 JJGF O=C(O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324195 XABKVFYKLSIVGO-REWPJTCUSA-N 471.278 4.879 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587419527 DSTWWYZHMKDNQX-SNUWEPMUSA-N 491.971 4.958 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851720 IUWFFNHPWLNWOH-WBUIGNHESA-N 475.811 4.668 50 1 JJGF N#C/C(=C/c1cc2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1)C(=O)O 587898301 FMBXLFOTDNNQJG-MLPAPPSSSA-N 475.378 4.972 50 1 JJGF Cc1cc([S@@](=O)C(F)(F)[C@@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500355 OTSINPJLWYNOBQ-JTBPQFFMSA-N 468.831 4.778 50 1 JJGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C/[C@H](C)C[C@H](C)CC)CC[C@@H]2C(=O)O 40860758 KFNRVRQZGWBRJR-PVKIBWBBSA-N 456.579 4.854 50 1 JJGF 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)CC(C)C)CC[C@@H]2C(=O)O 238776616 UJIAILHDYMWIBK-VGVHDYBZSA-N 456.579 4.854 50 1 JJGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587669547 DZWVZKVLENQWBH-OACQNMCBSA-N 485.191 4.693 50 1 JJGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC 1652652 BMQWJFCUALXVCK-AWEZNQCLSA-N 465.937 4.912 50 1 JJGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(CCCC(=O)O)C(=O)CCl 299809362 QETVJZPJOLUZKT-HRDHNEDCSA-N 481.004 4.652 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr 587376828 KPRVGBJIXPNJTK-GMVCYHGDSA-N 457.206 4.876 50 1 JJGF CCCc1c(O)ccc2c1O[C@]([C@H](C)Cl)([C@@H](C(=O)OCC)c1nc(C)cs1)CC2=O 587496336 WFBDFWZNIBYEPS-PFDOBSCMSA-N 451.972 4.788 50 1 JJGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948510 AMXAYXBTIWNCLU-QKKBWIMNSA-N 462.940 4.704 50 1 JJGF C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H]1CC=C[C@@H](C4=O)[C@@]512)CCNC(N)=N3 85549498 KCFVOYBKZOJAGM-QJKNADOPSA-N 457.709 4.867 50 1 JJGF biogenic,in-vitro COC(=O)[C@H](CCC#CC=C(Cl)Cl)[C@H](CCCC#CCC(Cl)Cl)NC(C)=O 85918778 PDKKGHRWYLPGPS-CVEARBPZSA-N 455.209 4.750 50 1 JJGF C[C@](Br)(CBr)Cn1cc(Br)c(=O)c2ccc(Cl)cc21 103266911 GQGMQNKRSXKJSR-ZDUSSCGKSA-N 472.402 4.966 50 1 JJGF O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)cc2N1 587568945 GMKGMAQYNZNVDG-QPPBQGQZSA-N 453.853 4.512 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587569653 RVHFPYTYZLDKCJ-SIKLNZKXSA-N 459.267 4.792 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587682940 FCBHISJLTJHTMN-XUSGNXJCSA-N 451.767 4.880 50 1 JJGF COc1ccc2nc(Oc3ccc(F)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103189521 VMXWOWAPRWDPHJ-HSZRJFAPSA-N 457.461 4.990 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 587679955 GFCKWKBVHKSPPS-DGIBIBHMSA-N 467.132 4.604 50 1 JJGF C[C@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587874870 JBLCSIVUXYYPOT-ZDUSSCGKSA-N 453.163 4.670 50 1 JJGF COC(=O)c1ccc([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)o1 963833622 XWGIJSGXLQABIB-VWLOTQADSA-N 450.922 4.755 50 1 JJGF COc1ccc2[nH]cc(C(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 1857582141 ZITQNNKOWYAZDV-BIVOZNITSA-N 457.523 4.541 50 1 JJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@@H](CO)[C@@H](C1CCCC1)[C@]42CC3=O 2356371889 SDVAQICNXIRWFG-GGRLRKAZSA-N 491.767 4.894 50 1 JJGF CCC(=O)NNC(/C=C/c1cccc(O)c1)=C1/S/C(=N\c2ccc(C)cc2[N+](=O)[O-])N=C1C 137717316 MUQJGZOJEUDYJL-VCWWUPGRSA-N 465.535 4.760 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587538058 MTLNDSJLOKFWGF-SIKLNZKXSA-N 486.274 4.561 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc([N+](=O)[O-])ccc1CBr 587874657 FFERAJHOWPTEPT-UHFFFAOYSA-N 470.150 4.701 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3cc4ccccc4o3)N12 962636819 JUSYQGATUONKEA-BJKOFHAPSA-N 465.347 4.718 50 1 JJGF COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)cc1 102415025 ABYJHOJMYFKUPD-POTDNYQPSA-N 470.573 4.687 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587543841 LVARJJYCTICXHU-YADARESESA-N 455.894 4.610 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587684637 LHDLZNCUKKHETI-MQJDWESPSA-N 499.771 4.916 50 1 JJGF COc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587717778 LQHWCUCIANFIBD-LZVRBXCZSA-N 477.143 4.614 50 1 JJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)CCCCl 587880884 FVRIZGYXYQWOFH-UHFFFAOYSA-N 451.781 4.970 50 1 JJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 53243792 FQNSQTRFEYYUIL-GDLZYMKVSA-N 469.504 4.611 50 1 JJGF Clc1ccc(CN(Cc2cccnc2)C2=NC[C@@H](CI)S2)cc1 82052506 CYFOLXCIJLFBIO-MRXNPFEDSA-N 457.768 4.644 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr 587376832 KPRVGBJIXPNJTK-NCVQRMGESA-N 457.206 4.876 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587674288 VUZULNPMVTVAKQ-QKKBWIMNSA-N 498.234 4.598 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587681794 AVGXFWDUTPAQLS-WIUDPPPLSA-N 451.767 4.835 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C 587684757 MCHZELLFHSDUST-MZFXBISCSA-N 465.794 4.902 50 1 JJGF C=C(OCCC[Si](OC)(OC)OC)[C@]1(C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963190168 DDAHNUNQEYLRIN-CLJLJLNGSA-N 466.654 4.823 50 1 JJGF COc1cc(OCCN(C)C)c2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 1654942 UHCMXAGBHQCPHV-KRWDZBQOSA-N 493.007 4.835 50 1 JJGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)c1 13779126 SQQVXAUICKWCMP-UHFFFAOYSA-N 463.925 4.975 50 1 JJGF Cc1cc(NC(=O)NNc2ccc(N(CCCl)CCCl)cc2)c2cc3c(cc2n1)OCO3 49756947 IHVBGMILERSYMJ-UHFFFAOYSA-N 476.364 4.705 50 1 JJGF CN(C)CCCOc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 66111725 YAHQHCDDZUESEH-UHFFFAOYSA-N 453.414 4.945 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587687098 FJVZZTAABXSCKV-FVINQWEUSA-N 457.771 4.726 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688012 JLMJULZMGJFCIE-FVINQWEUSA-N 457.771 4.726 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587672661 GYSZGUNRRWVZBB-NSPYISDASA-N 473.180 4.778 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 587688694 NFDKIWXDDXPLRE-KNNTUQDDSA-N 461.766 4.854 50 1 JJGF N#Cc1cccc([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962626386 GYAUMXHFJIFAMP-AHWVRZQESA-N 458.403 4.944 50 1 JJGF CC(C)(O)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2CC1=O 2356811267 YVQVUHJNIVGAHG-ZOFISGCTSA-N 453.535 4.929 50 1 JJGF C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921984 POGRDTUUAXVGKI-WLXJBKMTSA-N 459.876 4.933 50 1 JJGF Clc1ccc(CN(Cc2cccnc2)C2=NC[C@H](CI)S2)cc1 82052504 CYFOLXCIJLFBIO-INIZCTEOSA-N 457.768 4.644 50 1 JJGF O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614124 REWHAGLWMBUZEH-KLHJMIIUSA-N 475.316 4.549 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724701 LHZJBXJUFRQEKZ-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF Cc1c2c(nn1C)[C@@](CCCCCCCl)(c1ccccc1C(F)(F)F)N[C@@H](C(=O)O)C2 962707501 IQCZFJCQWGRHMK-WIYYLYMNSA-N 457.924 4.779 50 1 JJGF CC1CCN(Cc2cc(Nc3ccc(N(CCCl)CCCl)cc3)n3ncc(C#N)c3n2)CC1 1772601913 KFIIJPCBLCYZTH-UHFFFAOYSA-N 486.451 4.860 50 1 JJGF COc1ccc(-c2csc([C@@H](C#N)[C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC 587412267 IKQYLUUVRNALIL-VOIUYBSRSA-N 483.977 4.968 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542167 FWKXQJMQBHALGT-CPJSRVTESA-N 499.903 4.525 50 1 JJGF O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cc(Cl)c(F)cc12 587631048 VXNZCQVBJIOHPN-UHFFFAOYSA-N 454.626 4.696 50 1 JJGF CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673077 KAGNPHLHSXHKCY-VOJFVSQTSA-N 465.201 4.692 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587853610 AJXWOOXIEVYCQV-DGIBIBHMSA-N 455.780 4.649 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=CCC[C@@H](C)CC)CC[C@H]2C(=O)OC 2356805347 VGRLZLRYWXXGNZ-LLGLSMHOSA-N 456.579 4.697 50 1 JJGF O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccc(Cl)cc1 96910083 PCNQUWNFDQXJDL-NUGSKGIGSA-N 497.574 4.942 50 1 JJGF C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CC)C(=O)SCCl 27199868 VFCJIKCFYWFEPH-ZLOBPOPUSA-N 497.028 4.671 50 1 JJGF CCOC(=O)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)c1ccccc1 43967554 FPEQFAHPKQUFAG-BYVRJHCQSA-N 460.567 4.906 50 1 JJGF CC(C)(Br)[C@H](Br)CC[C@@](C)(Br)[C@@H](Br)CO 195506523 KNNMIDQUZTUBJU-KHQFGBGNSA-N 473.869 4.613 50 1 JJGF CN1C(=O)C[C@@H]2CN[C@@](c3cc(F)ccc3F)([C@@H](Br)CCCl)c3cccc1c32 963030148 PVDJWNFWBUYOFX-NWXLUKJOSA-N 469.757 4.654 50 1 JJGF C[C@](Cl)(CBr)[C@@H](O)CCC(=CBr)[C@@H](Cl)CBr 2356645655 YSWYAMBFCRENQC-GUBZILKMSA-N 461.847 4.801 50 1 JJGF CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nc(C)cs2)=C(C#N)[C@H]1c1cccs1 17519994 DBCSYFDELLOSOP-PJCCXHTNSA-N 460.606 4.984 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587682142 BJTCXMXRSKYNHT-PRWKNARSSA-N 452.755 4.582 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 963269922 MQSSRHBTLVPJTC-RXBISOJRSA-N 481.379 4.896 50 1 JJGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C 253637400 VTIRLZJHXPPVJA-QXDYETEFSA-N 477.041 4.503 50 1 JJGF N#C[C@@H](c1ccccc1)[C@@]1(CBr)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926242 LXVHEXURWNPTAK-LSQMVHIFSA-N 493.357 4.681 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611364 IFNMIFDKWHGYAY-DJVOCCORSA-N 487.961 4.832 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587848963 QHBBNNPGSNLCEP-VVVCHXIZSA-N 477.193 4.609 50 1 JJGF COc1cc2c(cc1OC)[C@@]1(CCOC[C@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670786 GODPVLUEMDKJJG-IFMALSPDSA-N 469.887 4.644 50 1 JJGF CSc1ccccc1[C@]1(CBr)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709644 QWTWANVVGIHCCN-QAPCUYQASA-N 478.305 4.804 50 1 JJGF O=C(Nc1ccccc1)[C@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959085 PONWHJHLQHKXQK-OAQYLSRUSA-N 483.328 4.586 50 1 JJGF CCN(CC)CC(=O)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 205204868 RKMVORRQKJLOHZ-UHFFFAOYSA-N 480.440 4.895 50 1 JJGF COc1ccccc1C(=O)OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1 299871230 YCNCAAGOHGWDJF-UHFFFAOYSA-N 456.585 4.994 50 1 JJGF CCOC(=O)c1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537636 JIQUMKATSOZLDA-YKSBVNFPSA-N 483.314 4.821 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 587684365 PIRDPFFGXRCRCD-DGIBIBHMSA-N 467.132 4.604 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 963271565 WGORHEXWZMTJKK-RXBISOJRSA-N 481.379 4.896 50 1 JJGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CC1)CO4)C3=O 2356585588 VCCIXRCEOVYCCA-VEYWIMSWSA-N 463.357 4.895 50 1 JJGF CC/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2[nH]1 95560555 CAJYWEOIJNGJRT-HYARGMPZSA-N 465.145 4.943 50 1 JJGF CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587373233 HQYOSCLYNINOLU-VWNXMTODSA-N 473.953 4.765 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O 587413247 FYLLATAFJHOKCE-RNODOKPDSA-N 498.167 4.513 50 1 JJGF CSc1ccccc1[C@@]1(CBr)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709625 QWTWANVVGIHCCN-CRAIPNDOSA-N 478.305 4.804 50 1 JJGF CC(C)(C)c1ccc(-c2noc(C(=O)NNC(=S)Nc3ccc(C(F)(F)F)cc3)n2)cc1 40881448 NTQRKGUDNORNMZ-UHFFFAOYSA-N 463.485 4.684 50 1 JJGF CC(C)(Br)[C@H](Br)CC[C@]1([C@@H](Br)CBr)CO1 195488226 GGAPYRSAAHUZID-KHQFGBGNSA-N 471.853 4.631 50 1 JJGF COc1ccc(C)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538962 SNITWQHCPKJUQA-REWPJTCUSA-N 455.304 4.961 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 587672499 GHVQQPGPXIQPEI-ZUOKHONESA-N 479.191 4.947 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587674459 WSSPSHCRVBFSEU-ASSNKEHSSA-N 496.218 4.888 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587687826 IORJGYALNQTDKU-SASJJMKUSA-N 465.794 4.902 50 1 JJGF CC(C)(C)N(NC(=O)c1cccc(I)c1)C(=O)c1ccccc1Cl 653907573 DYGUNXIJIPMZAC-UHFFFAOYSA-N 456.711 4.530 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(C3CCC(F)(F)CC3)N12 962645953 SHQXJTBITJFHAO-FCHUYYIVSA-N 467.354 4.749 50 1 JJGF O=C(CCl)Nc1ccc(-n2nc(OC[C@H]3CCCO3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857752543 DOZVLDPMUJZSRH-MRXNPFEDSA-N 481.767 4.976 50 1 JJGF C[C@H](CCl)C[C@H](C(=O)N1CCC[C@H]1c1nccs1)N(C)C(=O)C[C@H](C)C(Cl)Cl 238745783 TXDKKEWSLZFYHQ-ZQDZILKHSA-N 468.878 4.729 50 1 JJGF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586974019 PMMJPYNWHZRDHW-CQSZACIVSA-N 450.402 4.640 50 1 JJGF Cc1cccc(-n2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nn2)c1 587327323 PCHQAADTPAUPQD-NOZRDPDXSA-N 463.896 4.914 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672665 HAJHNSRFNGPCRP-BMLIUANNSA-N 458.125 4.669 50 1 JJGF [C-]#[N+][C@H]1C[C@@H](N(C)C2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 473170829 RBSVLJGOQOTWML-IHPCNDPISA-N 460.504 4.610 50 1 JJGF COc1cc2c3c(c1)O[C@@H](c1coc4c(CCl)cc(Br)cc4c1=O)[C@@H](C2)C3=O 587417169 JOTADXRQNIVSAD-YEJXKQKISA-N 461.695 4.792 50 1 JJGF CN1C(=O)CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587539674 XHMCRLURAJULQO-DHLKQENFSA-N 494.341 4.553 50 1 JJGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CC1)CO4)C3=O 2356585589 VCCIXRCEOVYCCA-VWMXVWASSA-N 463.357 4.895 50 1 JJGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCl)(Cc2cccc(Br)c2)N1 962632518 JAABMZXJPWOOHG-AEFFLSMTSA-N 478.692 4.623 50 1 JJGF CN1C(=O)C[C@@H]2CN[C@@](c3cc(F)ccc3F)([C@H](Br)CCCl)c3cccc1c32 963030145 PVDJWNFWBUYOFX-ICNNEYJISA-N 469.757 4.654 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587324421 YUGLWFBCSICLFN-UPVQGACJSA-N 485.305 4.952 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587688716 NKLNDXMHQKAHSI-PKQAIAMASA-N 499.211 4.666 50 1 JJGF COc1ccc(Br)cc1[C@]1(CBr)N[C@H](C)Cc2c(OC)ccc(OC)c21 963632016 DSZPLGDEEKCUIX-ODXCJYRJSA-N 485.216 4.648 50 1 JJGF CCOC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539038 UQIYVEXWIBVTEI-RDPSFJRHSA-N 483.314 4.821 50 1 JJGF COc1c(F)cccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555228 FZSBQYSSVAFABL-AVRDEDQJSA-N 459.267 4.792 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 587672495 GHVQQPGPXIQPEI-RNODOKPDSA-N 479.191 4.947 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587672778 HPUIVPANUFMAPF-MLCYQJTMSA-N 488.151 4.678 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587679218 FRCRDAHNXZVRLI-DUAKBQKKSA-N 475.196 4.602 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687821 INYJAFUPUKOTDC-MCMMXHMISA-N 475.793 4.878 50 1 JJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653774466 CILRCXQSBAPGPR-JFLMPSFJSA-N 464.441 4.624 50 1 JJGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 26005890 KIPNYWJLWBWXIJ-LBYRQTAISA-N 495.445 4.576 50 1 JJGF COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)c(Br)c1OC 72139956 RIPYYIAPKSYZQN-FOKLQQMPSA-N 474.380 4.565 50 1 JJGF O=C(N/N=C(\C=C\c1ccccc1O)c1ccc(O)cc1O)Nc1ccc(Br)cc1 103217209 OMLUIHUAKUBYGU-PUMILQKDSA-N 468.307 4.805 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587681373 KQKVWPBCZZEPDC-DUAKBQKKSA-N 475.196 4.602 50 1 JJGF CC[C@H](Br)[C@@]1(c2ccccc2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963152110 UCEHNILYDOUWNQ-XFQAVAEZSA-N 481.412 4.807 50 1 JJGF Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc([S@@](=O)C(F)(F)[C@H](F)Cl)c1C 31500344 FAZPLAWGIZEIEN-DFYVNMARSA-N 468.831 4.778 50 1 JJGF Cc1ccc2nc(Oc3ccc(Cl)cc3)c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)cc2c1 169307244 YDIGTIXLCJHFIX-KBKYJPHKSA-N 478.896 4.552 50 1 JJGF C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369462 IPWBUPNNNGUSDX-XYXGBRQHSA-N 489.952 4.785 50 1 JJGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2nc3ccccc3[nH]2)N1C(=O)c1ccccc1 963450599 VCGHXAJYEYKVQB-WXVAWEFUSA-N 484.943 4.678 50 1 JJGF CC(=O)O[C@@H]1OC=C[C@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H](C)[C@@H]12 195428893 NTRRPMYMVJMMQF-XUIHIORSSA-N 450.651 4.637 50 1 JJGF CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nc(C)cs2)=C(C#N)[C@@H]1c1cccs1 17519996 DBCSYFDELLOSOP-FDCFBWIESA-N 460.606 4.984 50 1 JJGF C[C@@H](Cl)[C@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921980 POGRDTUUAXVGKI-LKEWYZSESA-N 459.876 4.933 50 1 JJGF O=C(c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1)N1CCCNCC1 1857751192 CGMIEJWRPXSTEL-UHFFFAOYSA-N 482.621 4.538 50 1 JJGF O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 40861714 DRRUJWFFGWHRTE-UVHMKAGCSA-N 466.328 4.770 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 58542837 ZENXUIUPBLAJTM-QHHRZPEUSA-N 497.461 4.800 50 1 JJGF O=C(NNc1nc(Cl)nc(Cl)n1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 1857769682 FHWGXCCOCICHKB-UHFFFAOYSA-N 450.289 4.632 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685639 RCXLEWSNNMMPMP-LAJNKCICSA-N 451.767 4.514 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 587371975 JADGBICILWVMMW-IYJVBRSBSA-N 460.917 4.596 50 1 JJGF COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587416928 GKWMTEZVTKMUMC-OLLUBJOZSA-N 463.917 4.593 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@H]2COc3ccccc3O2)N1 587672179 DQLFGAHCQWZDKO-CYXMAGCYSA-N 471.164 4.553 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 587672384 FSOCOJGBROGFBN-JEOXALJRSA-N 471.164 4.532 50 1 JJGF CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673078 KAGNPHLHSXHKCY-ZMZPIMSZSA-N 465.201 4.692 50 1 JJGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl 82053301 YFFWHQUALIZWFH-SFHVURJKSA-N 490.806 4.944 50 1 JJGF COc1ccc(F)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572028 QIKSRHIGCSKMPS-UGKGYDQZSA-N 459.267 4.792 50 1 JJGF C=C(C=CC=C(CO)[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 2356574381 XVFORSWJIMCHND-RULDIGERSA-N 486.693 4.970 50 1 JJGF C=C(C=CC=C(CO)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 2356578377 PFWNRJSLKAVWGD-OEWGIKMGSA-N 486.693 4.970 50 1 JJGF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4[C@@H](Br)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714157 NIWUBSPKINAVMT-HQIRFVMOSA-N 451.449 4.501 50 1 JJGF O=C(CCCC[C@@H]1CCSS1)NC[C@H](O)CNc1c2c(nc3ccccc13)CCCC2 299866615 PDYJCWAZIZYPDT-ZWKOTPCHSA-N 459.681 4.717 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546259 VIRCEQCUGRVHDK-MZKRTTBSSA-N 453.288 4.578 50 1 JJGF O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653749443 UYHPRIRUGOBVQQ-DHRITJCHSA-N 463.287 4.692 50 1 JJGF O=[N+]([O-])c1ccccc1[C@@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950983 FQFVCQKCMQJYQL-HXUWFJFHSA-N 485.300 4.904 50 1 JJGF O=C(N/N=C/c1ccccc1)c1ccc(Nc2ccccc2C(=O)N/N=C/c2ccccc2)cc1 64521262 OPUCHNHJTWLIRH-CZYCKNNWSA-N 461.525 4.958 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686543 VQFWPMVMGXTQJG-FIKIJFGZSA-N 465.750 4.873 50 1 JJGF C[C@H](CBr)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587874540 AVDFEYUUDXGISU-CQSZACIVSA-N 455.179 4.866 50 1 JJGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 962922372 QCSZNZIHJGEPKI-XUZZJYLKSA-N 470.338 4.642 50 1 JJGF CC1(C)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(=O)CCl)CC[C@@H]43)C[C@@H]2O)CCO1 13762205 OLHMODZTGIHCMB-MOKQGQCQSA-N 466.106 4.903 50 1 JJGF CC1=C(C(=O)NCc2ccc(C(F)(F)F)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49784019 YWXUOENYBQKEOC-CTBOKNSISA-N 467.484 4.841 50 1 JJGF COc1cc(/C=N/N(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O 299859545 FWLKYGCLWNASQW-AFUMVMLFSA-N 482.334 4.522 50 1 JJGF C=CCc1c(CBr)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587616537 DJMUTVIIWQLTBA-UHFFFAOYSA-N 480.340 4.509 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231890 RVAJKIFAUWCMNY-DRAMBROLSA-N 490.195 4.623 50 1 JJGF COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)c1 64549700 RLHJVTWORBHNIE-POYMRFPPSA-N 470.573 4.687 50 1 JJGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(Cl)cc2Cl)no1)C(C)C 103220934 RHVKFRSKDMHGAI-JZJYNLBNSA-N 452.338 4.751 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587456287 MBQAJBXPMTUCGO-HXUWFJFHSA-N 450.285 4.517 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 587673502 NMXSRLCZTAEGKG-NSPYISDASA-N 455.165 4.696 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)C3c4ccccc4-c4ccccc43)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308365 XPBJATTWOMTMGM-XXOFYZKJSA-N 488.584 4.524 50 1 JJGF Cn1ccnc1/C=N/NC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 197971499 NWVARYWEVLSGCD-MSXKPISQSA-N 479.569 4.777 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587542195 FXTVLZFQSPCIAF-YADARESESA-N 455.894 4.610 50 1 JJGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)Nc2ccc(Cl)cc2)c2ncccc2c1 1772613632 BDHDCMMPTYQRQN-OAHLLOKOSA-N 470.961 4.513 50 1 JJGF CSc1ccc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12 28711214 AJJKUSXYIMDOBG-UHFFFAOYSA-N 459.321 4.628 50 1 JJGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@](=O)c2ccccc2)=N1 34802471 YWORQRVPTVGAJO-YIWSQARLSA-N 490.503 4.627 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(C)cc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45284321 DNDFBDHSJXBXEZ-XMMPIXPASA-N 473.573 4.962 50 1 JJGF COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587687783 HXWAQVBXOGRYSL-XMHCIUCPSA-N 485.825 4.976 50 1 JJGF O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cc2cc(Br)ccc2oc1=O 1857632926 KQJOFWCSCABVSB-AUEPDCJTSA-N 456.683 4.521 50 1 JJGF COC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccc(OC)cc1 13675439 IAZBIUQSFXFAEW-QFIPXVFZSA-N 464.953 4.861 50 1 JJGF CC(C)(C)[Si](C)(C)O[C@@]12C#CC=CC#C[C@@H](OC(=O)COc3ccccc3)C(=CCC1)C2=O 253837776 DDVYJISDSDEARA-KCWPFWIISA-N 462.618 4.604 50 1 JJGF C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539287 VFDFHFOHDMOZDC-REWPJTCUSA-N 468.303 4.603 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(Cl)ccn2)N1 963185657 RWMLKGYVHOETCR-MEDUHNTESA-N 484.099 4.645 50 1 JJGF O=C(CCCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328834 VYNGLPSACDLYCN-ILBGXUMGSA-N 453.897 4.531 50 1 JJGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671879 VLPYYXHCWJVQDA-SLSDUTBNSA-N 485.191 4.913 50 1 JJGF O=C(Cn1nc(/N=C/c2ccc(F)cc2)c2ccc(C(F)(F)F)nc21)N/N=C/c1ccc(F)cc1 1857595116 SMHJVZQUROSECX-UYKANAEJSA-N 486.404 4.629 50 1 JJGF O=Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587319223 AUXVJLCOSUNQSJ-GGAORHGYSA-N 471.278 4.699 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3ccc4c(c3)CCCC4)N12 962630408 DZSVCQOYBFOYKQ-UIOOFZCWSA-N 479.418 4.851 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CBr)(C(F)(F)C(F)(F)F)N1 962926035 KYQLRGWFXDAYIH-DOTOQJQBSA-N 496.226 4.571 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587674461 WSSPSHCRVBFSEU-YEJXKQKISA-N 496.218 4.888 50 1 JJGF COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103189518 CKZVOETWWSISOY-DEOSSOPVSA-N 469.497 4.859 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 963260573 YMJKLNAYBBDQEP-GAJHUEQPSA-N 489.440 4.554 50 1 JJGF CCCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 98053121 NGJWGJJLYUILOZ-SUYDQAKGSA-N 495.031 4.883 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102485 VGJSZWKAAXGTMT-DEOSSOPVSA-N 450.332 4.978 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc([N+](=O)[O-])c1 587537217 BVWJIMFUUFCNND-RXVVDRJESA-N 456.248 4.552 50 1 JJGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)oc2ccccc12 962668605 PCPNTJSECVVMGG-QOHDIRCLSA-N 491.975 4.909 50 1 JJGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356359519 MLPBHZYSEWWJBH-KSKWMTAJSA-N 477.740 4.663 50 1 JJGF O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc2ccccc2n1 195220936 DGRKJTBQLPRCHS-SANMLTNESA-N 495.388 4.672 50 1 JJGF FC(F)(F)c1cccc2c1[C@@]1(NCC23CCOCC3)c2ccccc2C[C@H]1Br 962959942 QZPBNLIBWUSVSZ-WIYYLYMNSA-N 452.314 4.920 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@@H]1c1ccc(F)cc1 587325908 HNCLLAKRWDCDQP-RDGATRHJSA-N 468.912 4.589 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587672663 GYSZGUNRRWVZBB-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687823 INYJAFUPUKOTDC-XMHCIUCPSA-N 475.793 4.878 50 1 JJGF Nc1cc(Br)ccc1[C@]1(CCCl)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691752 CVWIQPDMNRWQMU-AEFFLSMTSA-N 495.698 4.661 50 1 JJGF CCc1cccc2c1N=C/C2=C\NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 100609495 XWOABVKJEYESDZ-OBGWFSINSA-N 480.977 4.695 50 3 JJGF CC(=O)Nc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587327688 QUYROKQXRSUTDE-LADGPHEKSA-N 455.869 4.689 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)O2 587380337 DGZAGOLTTAPEBG-LLVKDONJSA-N 467.026 4.595 50 1 JJGF CN1C(=O)C[C@@H]2CN[C@](c3cc(F)ccc3F)([C@@H](Br)CCCl)c3cccc1c32 963030138 PVDJWNFWBUYOFX-CECALHEMSA-N 469.757 4.654 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 587673501 NMXSRLCZTAEGKG-JEOXALJRSA-N 455.165 4.696 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688762 NXKUALQHXQYCJM-WVDJIFEKSA-N 457.771 4.726 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=C[C@@H](C)CC(C)C)CC[C@H]2C(=O)O 2356496314 UJIAILHDYMWIBK-LLGLSMHOSA-N 456.579 4.854 50 1 JJGF CC(C)CN(NC(=O)c1cccc(-c2ccccc2)c1)c1nc(C#N)ncc1Br 66259118 LETHPVQXBRUHOE-UHFFFAOYSA-N 450.340 4.585 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C 238785526 YGBUJACBKXHYOB-OVXZXLKNSA-N 474.594 4.794 50 1 JJGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569712 IXTZAHRZSPPWPG-JXHRLWIKSA-N 487.277 4.627 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N(C)C)cc2)N1 587672136 CYSJKJVPARDTIJ-BUXKBTBVSA-N 456.197 4.827 50 1 JJGF CCOC(=O)[C@H](C)Oc1ccc(O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 103177830 SGAKSKACISAWRD-DSTPYZFRSA-N 476.566 4.604 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587682938 FCBHISJLTJHTMN-QKVFXAPYSA-N 451.767 4.880 50 1 JJGF O=C(NNCCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)c1ccncc1 1857643615 BOKPKEPWUCAQIT-UHFFFAOYSA-N 450.586 4.788 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)CC2=O 587465878 HRZMRUOHRPYROQ-NQIIRXRSSA-N 451.288 4.583 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587683536 HOQWUOUYKIKXMA-OSRJUQGESA-N 453.783 4.802 50 1 JJGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587687782 HXWAQVBXOGRYSL-WHEQGISXSA-N 485.825 4.976 50 1 JJGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C 1857638178 QEKAKJCLAFAJTF-GRPWRLQVSA-N 464.719 4.992 50 1 JJGF CC(C)[C@H]1CC[C@@](O)(CCl)[C@H]2C(=O)OCC(C(=O)OCc3ccc(-c4ccccc4)o3)=C[C@@H]21 473135167 LXSCFZXIJPLEKG-YWDMUFDYSA-N 472.965 4.741 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674220 UYXFERRTKAFPAU-NSPYISDASA-N 471.164 4.548 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O 587452628 RTYZJLFARGKNCP-RJYGXOMWSA-N 496.972 4.868 50 1 JJGF COc1ccc(F)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572027 QIKSRHIGCSKMPS-SIKLNZKXSA-N 459.267 4.792 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587672780 HPUIVPANUFMAPF-YPMLDQLKSA-N 488.151 4.678 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587849890 BOVAGXZHGSUXDE-LARMWNDWSA-N 475.811 4.668 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 587371977 JADGBICILWVMMW-RMKBEBRYSA-N 460.917 4.596 50 1 JJGF COc1ccc(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587540051 ZOTZSIFSDZGBLV-NFBKMPQASA-N 471.303 4.661 50 1 JJGF CC(C)C[C@H](NC(=O)[C@@H](CCI)Cc1ccccc1)C(=O)Nc1ccccc1 1650915 YOXNXDPLKDMGEC-FPOVZHCZSA-N 492.401 4.840 50 1 JJGF O=C1CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587539332 VOLQKFZBKPETEF-XUZZJYLKSA-N 480.314 4.529 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587846868 JBJURPXRNNYMII-RMDKCXRXSA-N 459.812 4.691 50 1 JJGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@@](=O)c2ccccc2)=N1 34802468 YWORQRVPTVGAJO-RHJHZWHGSA-N 490.503 4.627 50 1 JJGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1O[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 60184136 IIQDOCHDDGPWEN-LKMOQRQYSA-N 481.372 4.885 50 1 JJGF biogenic,in-vitro O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 587329469 XXTRAZWMYXHQSN-UKILVPOCSA-N 451.881 4.909 50 1 JJGF O=C1CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587539331 VOLQKFZBKPETEF-URXFXBBRSA-N 480.314 4.529 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](Br)C2 587680235 HZIKZNSCDXINAW-LARMWNDWSA-N 455.165 4.694 50 1 JJGF COc1ccnc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587321714 KLXACKFSEBKZCU-UNMCSNQZSA-N 458.283 4.584 50 1 JJGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587328830 VYMDMLVIZPQGCS-RDPSFJRHSA-N 457.885 4.756 50 1 JJGF CCOC(=O)c1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587672622 GQPSQWRNAQUQMK-ODXCJYRJSA-N 485.191 4.938 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCO3)N1 587673504 NMXSRLCZTAEGKG-WYRIXSBYSA-N 455.165 4.696 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587673604 OQFQZKDCINGXBF-GESALYCCSA-N 477.212 4.836 50 1 JJGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587688981 OMSVJMQMVACFTC-MCMMXHMISA-N 485.825 4.976 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587672445 FXVFOXXNRHVEDB-BMLIUANNSA-N 458.125 4.669 50 1 JJGF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr 587674616 YCMJRMJZJCTIDS-WYRIXSBYSA-N 473.180 4.994 50 1 JJGF ICCCCN1C=S(CI)c2ccccc21 96922541 BKXYFZAPTSOJNF-UHFFFAOYSA-N 459.134 4.502 50 1 JJGF COCCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587543485 KQBRNOIBOUTEOV-RCZVLFRGSA-N 455.938 4.943 50 1 JJGF COc1ccc([C@@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-] 962701946 LVBGGUSNFQCOAS-VFNWGFHPSA-N 481.387 4.745 50 1 JJGF C/C(CCC(=O)Nc1cccc(Br)c1)=N\NC(=O)c1ccc(-n2cccc2)cc1 1772585413 DSQPPQBWLIMGKZ-PCLIKHOPSA-N 453.340 4.764 50 1 JJGF Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587673165 KZDDDTMONJVIPV-ADLMAVQZSA-N 472.152 4.978 50 1 JJGF O=C1O/C(=C\Cn2cc(CCCCl)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 1857556259 XBVSFGXTNKCZGR-XKZIYDEJSA-N 465.937 4.535 50 1 JJGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@H]1O)C3=O 2356524194 UTXOFYRFSXYWKW-ASKHLURXSA-N 495.399 4.589 50 1 JJGF COC(=O)C1=C(CCCCCCCCCCCCCCC2=C(C)C(=O)OC2=O)C(=O)OC(=O)C1 2356817029 DGWMCSJXIDAGMS-UHFFFAOYSA-N 476.566 4.791 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587569654 RVHFPYTYZLDKCJ-UGKGYDQZSA-N 459.267 4.792 50 1 JJGF COc1c(F)cccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587715487 CRHDUIMDLQAPCM-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c2ncccc2c1 1857643949 WAEIBIIRQKQQQQ-XLNAKTSKSA-N 481.984 4.521 50 1 JJGF COc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC 13980682 MNFPZBOQEWMBOK-UHFFFAOYSA-N 453.926 4.963 50 1 JJGF in-vivo CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(F)cc2)cc1 40395388 MGLMAHCRDQDBOC-BZVUWSQFSA-N 453.521 4.768 50 1 JJGF CCOC(=O)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)c1ccccc1 53299067 FPEQFAHPKQUFAG-PKLKMVBKSA-N 460.567 4.906 50 1 JJGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)cc1 82053299 QJEWUTWUUPAUNF-GOSISDBHSA-N 490.806 4.944 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)Br)N1 587671479 SEFSZDCMNSUBDT-RMLUDKJBSA-N 458.007 4.886 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3ccc(O)c(Cl)c3Cl)N12 962668396 ODKHCGIDMPZHRX-VXKWHMMOSA-N 465.764 4.828 50 1 JJGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@@H]1O)C3=O 2356524197 UTXOFYRFSXYWKW-UNZKAFMDSA-N 495.399 4.589 50 1 JJGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587321437 DMEFEWVBHOGIBT-QUZFRVLNSA-N 477.326 4.756 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2COc3ccccc3O2)[C@H]1c1ccc(F)cc1 587321672 KKYWZASBZAZNQM-WPFOTENUSA-N 485.305 4.864 50 1 JJGF CC(=O)NCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544887 PMBQKISBXKHBTR-BVAGGSTKSA-N 465.933 4.557 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674603 YAKQSCUXKBOXLB-PRWKNARSSA-N 482.191 4.646 50 1 JJGF CC[C@H](Br)[C@@]1(c2ccccc2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963152107 UCEHNILYDOUWNQ-QYWGDWMGSA-N 481.412 4.807 50 1 JJGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1772644184 ALFCNASMWCLDIL-WSDLNYQXSA-N 480.531 4.692 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@H]2C(=O)O)CC=CC=C(C#N)[C@@H](O)[C@@H](C)C[C@H](C)C1 1857641520 OJCKRNPLOZHAOU-BAEHTRELSA-N 489.653 4.636 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 587372052 JIXZHYNGDGICBF-PTFIGZPYSA-N 460.917 4.596 50 1 JJGF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr 587673480 NDETZDHXMOGSEI-WYRIXSBYSA-N 473.180 4.994 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1C(=O)Cl 587878625 MYLZLNYZNHNPDR-UHFFFAOYSA-N 459.554 4.845 50 1 JJGF NC(=O)c1cc(Cc2ccc3ccccc3c2)cc(C(=O)C(Br)Br)c1 29055504 SXDCVXLSUAAVCR-UHFFFAOYSA-N 461.153 4.828 50 1 JJGF O=C(NNc1nc(-c2ccccc2)nc2c1[C@H]1CCCN1C(=O)N2c1ccccc1)c1cccnc1 45256302 RPRLBYIHMSLBTO-OAQYLSRUSA-N 477.528 4.704 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 587371976 JADGBICILWVMMW-PTFIGZPYSA-N 460.917 4.596 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 587496070 HNFMVBNMSBHAOL-GCJKJVERSA-N 450.373 4.674 50 1 JJGF COCC1=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@@H](CC(C)=O)C1=O 95913638 FLCCFFRXIUCVFQ-KAQDVGGXSA-N 462.583 4.987 50 1 JJGF biogenic,in-vitro COc1cc2c3c(c1)O[C@](CBr)(c1ccc(CBr)cc1)[C@@H](C2)C3=O 587414093 RWKGEZUXWRARJH-HNAYVOBHSA-N 452.142 4.628 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587545941 TXGPOWRJQBXVBI-UVJUKZLASA-N 463.917 4.786 50 1 JJGF CCC(=O)N1CCc2cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587685869 SAFSRKVGSPLUFC-DMZKTXOQSA-N 465.794 4.904 50 1 JJGF O=C(Nc1ccccc1)N(C1=NC[C@H](CI)S1)c1ccc(F)c(F)c1 1644599 OQGRAJCEHJNNDO-ZDUSSCGKSA-N 473.286 4.910 50 1 JJGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C 253637398 VTIRLZJHXPPVJA-JNQGAOHNSA-N 477.041 4.503 50 1 JJGF CC1(C)OC2=C(C[C@H]1I)C(=O)/C(=N\Nc1ccccc1)c1ccccc12 473112599 FOSNBDKIBNCCDX-KJCFGCQTSA-N 458.299 4.799 50 1 JJGF O=C(O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587320079 DPLHORAYBOHPCJ-NFBKMPQASA-N 471.278 4.879 50 1 JJGF FC(F)(F)c1cccc2c1[C@]1(NCC23CCOCC3)c2ccccc2C[C@H]1Br 962959933 QZPBNLIBWUSVSZ-NQIIRXRSSA-N 452.314 4.920 50 1 JJGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)C1(c2ccccc2)CC1 963155569 YTHNQKMQNORSNP-ZHRRBRCNSA-N 493.423 4.712 50 1 JJGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356359522 MLPBHZYSEWWJBH-ZDXRHXSDSA-N 477.740 4.663 50 1 JJGF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 26173642 CEWRFQBBMGBXHH-MDJCMSKBSA-N 454.354 4.689 50 1 JJGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537278 CHVSEJUCGWAGTP-NHCICSSKSA-N 483.314 4.796 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587682934 FCBHISJLTJHTMN-GTJPDFRWSA-N 451.767 4.880 50 1 JJGF O=C(NN=C[C@H]1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccc(F)cc1 1857586200 XLZIOIIPBXTKSY-GOSISDBHSA-N 469.394 4.531 50 1 JJGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C(C)C)cc1 16570111 OXMNWDAFLIEBLH-CJAUYULYSA-N 465.981 4.786 50 1 JJGF CC(C)CN(NC(=O)c1ccc(Oc2ccccc2)cc1)c1nc(C#N)ncc1Br 58574841 RHCYMTNVNVYMMR-UHFFFAOYSA-N 466.339 4.710 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3cc4ccccc4o3)N12 962636836 JUSYQGATUONKEA-ZEQRLZLVSA-N 465.347 4.718 50 1 JJGF Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 6041389 FARNQVMISDXBHT-UHFFFAOYSA-N 465.981 4.878 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587537905 LOUVRMKPJGZCBR-NZQKXSOJSA-N 471.303 4.661 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769523 NTPKAHRSCKLGOP-SHACYNPGSA-N 499.384 4.504 50 1 JJGF CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2)c2ccccc21 653726392 NPPGVDFYVPRAJZ-IKPAITLHSA-N 484.600 4.826 50 1 JJGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)[C@@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962957579 NVAKKWHTZNVIPO-UTYWTXRGSA-N 486.372 4.952 50 1 JJGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587546584 WVRKHGGPPUUFKQ-JYFHCDHNSA-N 483.948 4.860 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 587674637 YJEAHQPDEIRVET-JEOXALJRSA-N 471.164 4.532 50 1 JJGF Nc1cc(Br)ccc1[C@@]1(CCCl)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691754 CVWIQPDMNRWQMU-FUHWJXTLSA-N 495.698 4.661 50 1 JJGF C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 14970241 NSDRFILQFGBEMV-SFHVURJKSA-N 455.845 4.733 50 1 JJGF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)c(Cl)c2)N1C(=O)CCl 66100247 XFDLAGZBCJIJGU-YLJYHZDGSA-N 451.737 4.729 50 1 JJGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(CCCC(=O)O)C(=O)CCl 299809364 QETVJZPJOLUZKT-ZROYSQKBSA-N 481.004 4.652 50 1 JJGF CCC[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199430 GQWOCRYVJVHXQY-VWLOTQADSA-N 483.572 4.889 50 1 JJGF Cn1c([N+](=O)[O-])cnc1[C@@H](Br)[C@H](Br)c1ccc(Br)cc1 44307410 BPPBPSKUILPGCY-MNOVXSKESA-N 467.943 4.663 50 1 JJGF COc1ccc(N/C=N/C2=C(C#N)[C@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313222 JDUQRIATYJXOKC-UIOOFZCWSA-N 484.604 4.830 50 1 JJGF O=C(O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324193 XABKVFYKLSIVGO-NZQKXSOJSA-N 471.278 4.879 50 1 JJGF C[C@@H](Br)[C@]1(c2ccccc2C(F)(F)F)NCCc2ccc(C(=O)N(C)C)cc21 962922748 HBNOOJADDZTALA-ZUOKHONESA-N 455.318 4.580 50 1 JJGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 40447681 OUOFFBNPZIVGHE-OFXREWGYSA-N 451.504 4.544 50 1 JJGF O=CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 587352236 KMTMAQPHYDPYRA-XNMGPUDCSA-N 458.441 4.800 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769485 NTPKAHRSCKLGOP-BSEYFRJRSA-N 499.384 4.504 50 1 JJGF COc1cc2[nH]c3c(C[C@@H](Br)C(C)(C)O)c(O)c(C=O)cc3c2cc1Br 72114187 APDFFKOKRGUFJW-MRXNPFEDSA-N 485.172 4.687 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 587674275 VSJRQUHWELMBGO-FKIZINRSSA-N 485.191 4.922 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688759 NXKUALQHXQYCJM-CFMSYZGJSA-N 457.771 4.726 50 1 JJGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1cccc(Br)n1 962378847 ZYVDPDZTDHVOFS-IBGZPJMESA-N 481.257 4.941 50 1 JJGF CCOC(=O)[C@H]1CCc2nc(SSc3nc4c(s3)C[C@@H](C(=O)OCC)CC4)sc2C1 1772646341 ZKKCHDGKRNCYAB-RYUDHWBXSA-N 484.690 4.735 50 1 JJGF CCOC(=O)[C@@]1(CCBr)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586985345 UTXNQRJXIVLSAJ-XMMPIXPASA-N 466.331 4.684 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587545376 RCJOGKWWMYAWNB-BWKNWUBXSA-N 463.873 4.756 50 1 JJGF O=C(Nc1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1)c1ccc(B(O)O)cc1 1772596822 NHAXRUFCGUQKLB-UHFFFAOYSA-N 472.313 4.545 50 1 JJGF O=C(Cc1ccccc1)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772615235 GQOKFUDSULDIJD-JQIJEIRASA-N 488.551 4.876 50 1 JJGF CCn1cc(C(=O)N/N=C/c2ccc(F)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21 1911583852 GOSBWWOTFPQDFJ-CCVNUDIWSA-N 491.592 4.520 50 1 JJGF CCC=CC[C@H](Br)[C@H](C[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1OC(C)=O)OC(C)=O 2356379848 JRQQPVJNDFEESP-PVNUZBBZSA-N 494.220 4.581 50 1 JJGF O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O 299867880 YYHXNXAWJMDOFX-UHFFFAOYSA-N 459.359 4.874 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674219 UYXFERRTKAFPAU-JEOXALJRSA-N 471.164 4.548 50 1 JJGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@](O)(C#CCCCBr)[C@@]3(C)CC[C@H]12 26004427 ACOOMDBVWCJRIF-LMWRQSBWSA-N 450.461 4.759 50 1 JJGF CCOC(=O)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)c1ccccc1 43427188 FPEQFAHPKQUFAG-ZWYXXTHXSA-N 460.567 4.906 50 1 JJGF CSCCN(CC(=O)O)NC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 103301059 COJLBNIWCPSRRQ-UHFFFAOYSA-N 484.068 4.835 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673410 MQKNGHROAUUXRS-NSPYISDASA-N 473.180 4.778 50 1 JJGF COc1cc2c(cc1OC)[C@](CBr)(c1cc(-c3ccccc3)no1)N(C)[C@@H](C)C2 962623305 IHRLPPNOSXTCIN-NPMXOYFQSA-N 457.368 4.874 50 1 JJGF COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl 15115486 OFHJKWNSOIQOPB-SCJBYDQFSA-N 462.970 4.875 50 1 JJGF endogenous,in-man CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCI)[C@H]3CC[C@@H]12 26004397 ZENXUIUPBLAJTM-BYKUIFLTSA-N 497.461 4.800 50 1 JJGF COc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587674453 WRFUEUVLNZGXTN-YPMLDQLKSA-N 488.151 4.678 50 1 JJGF COCC1=CC[C@](C)(CC=CC(C)(C)OO)[C@@H](C=COC(=O)C=C(C)C)[C@@H](CC(C)=O)C1=O 2356665799 FLCCFFRXIUCVFQ-UFPGJGBJSA-N 462.583 4.987 50 1 JJGF C[C@@H]1Oc2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O 587501808 YODYBDCQVDVVME-ZAMGYDSWSA-N 456.336 4.540 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587681795 AVGXFWDUTPAQLS-WSVYEEACSA-N 451.767 4.835 50 1 JJGF Nc1c(C(=O)NN=Cc2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cnn1-c1ccccc1 957611456 VTKLPMWIFOQAOH-UHFFFAOYSA-N 481.947 4.725 50 1 JJGF CCN(CC)Cc1ccc2nc(NC(=O)NN=C(c3ccccn3)c3ccccn3)sc2c1 1857601049 GQNXNDCMMGWDKD-UHFFFAOYSA-N 459.579 4.502 50 1 JJGF CC(C=O)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@H](C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@@]4(C)C(=O)C[C@]23C)O1 2356383479 NZGITYVJSRBFQS-BOFUCWJHSA-N 484.677 4.795 50 1 JJGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(C3CC3)c2c1 587619350 RZOCMRYEGFVGLU-UHFFFAOYSA-N 480.340 4.658 50 1 JJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669545 DZWVZKVLENQWBH-FOPRYUNUSA-N 485.191 4.693 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnn(-c2ccccc2)c1 587538876 RXKZLWVAOXGMQL-ZJSXRUAMSA-N 477.314 4.830 50 1 JJGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]1(O)[C@@]1(C)CC[C@@H](Br)C1(C)C 2356791830 JAAMRJACPHHTIP-SKAWIBFASA-N 474.661 4.794 50 1 JJGF COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 103286922 KUXBMONJIHWJET-XDZXDJIYSA-N 484.600 4.874 50 1 JJGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684030 JOXPYBMYTKCGAU-YEJXKQKISA-N 453.783 4.583 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769811 OREJGQBOBJNHJY-SHACYNPGSA-N 499.384 4.504 50 1 JJGF C=C(CC[C@@H]1OC1(C)C)[C@H](Br)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@H]3O2)O1 2356537124 IQWIQURCMLANFO-OCLKRJJCSA-N 493.438 4.548 50 1 JJGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC 1654701 BMQWJFCUALXVCK-CQSZACIVSA-N 465.937 4.912 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673524 NSSILEDHLFNQDC-XUSGNXJCSA-N 496.218 4.670 50 1 JJGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccccc1OCC(F)F)N(C)[C@@H](C)C2 962618048 BHHCLDAYSVMIBQ-RCDICMHDSA-N 470.354 4.863 50 1 JJGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(Cl)cc1 103950898 GNTIKPZTYBAZLW-SFHVURJKSA-N 489.822 4.977 50 1 JJGF COc1cc2c3c(c1)O[C@](C)(c1sc4nc(C)cc(C)c4c1NC(=O)CCl)[C@@H](C2)C3=O 587451140 ILYCHVIBOQGJKY-PSLXWICFSA-N 456.951 4.762 50 1 JJGF C[C@@H](Cl)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921977 POGRDTUUAXVGKI-HSJHCEBHSA-N 459.876 4.933 50 1 JJGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1cccc(Cl)c1)C(=O)c1ccccc1C2=O 82151122 CGLMHWLRHJNOIT-UHFFFAOYSA-N 453.281 4.545 50 1 JJGF COc1cc(Br)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587371425 DONGQBYCUXGDET-LJQANCHMSA-N 485.172 4.613 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@H]2COc3ccccc3O2)N1 587672181 DQLFGAHCQWZDKO-RWTORFTKSA-N 471.164 4.553 50 1 JJGF Cc1cccc(-n2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nn2)c1 587327325 PCHQAADTPAUPQD-ZCYQVOJMSA-N 463.896 4.914 50 1 JJGF C[C@H](Br)C1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587671453 SBUXJDOMXWGBLD-VGMNWLOBSA-N 458.007 4.885 50 1 JJGF NC1CCN(C(=O)c2ccc(C3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)cc2)CC1 1857637902 NWDJCONPVITSEJ-UHFFFAOYSA-N 482.621 4.666 50 1 JJGF C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O 261171234 SZGQTKQSDGZCFY-MKXAOSJNSA-N 453.804 4.720 50 1 JJGF N#CC1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587546100 NSAUSCMOHBWLIP-REWPJTCUSA-N 462.255 4.812 50 1 JJGF CC1(C)C[C@](O)(C[C@@H]2CC[C@]34[C@@H](O)O[C@](C)(CC[C@H]3Br)[C@@H]24)CC[C@H]1Br 2356416503 WDJJPAMUJVXVLI-GGRJHTQTSA-N 480.281 4.758 50 1 JJGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)CCCC1 95809764 XKOCRNYLZDJCFM-NLRVBDNBSA-N 474.602 4.611 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724703 LHZJBXJUFRQEKZ-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF CSc1ccccc1[C@]1(CBr)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709647 QWTWANVVGIHCCN-YJBOKZPZSA-N 478.305 4.804 50 1 JJGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C2CC2)cc1 33560968 NULYENOSVPTJOG-NSYGIPOTSA-N 463.965 4.540 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@@H]1c1ccc(F)cc1 587325907 HNCLLAKRWDCDQP-RCZVLFRGSA-N 468.912 4.589 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)Br)N1 587671478 SEFSZDCMNSUBDT-CLAHSXSESA-N 458.007 4.886 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N(C)C)cc2)N1 587672135 CYSJKJVPARDTIJ-BLVKFPJESA-N 456.197 4.827 50 1 JJGF CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587674120 SWSUITRJSVXGOE-WYRIXSBYSA-N 470.180 4.719 50 1 JJGF N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/Nc2ccccc2S1 49049427 YPQUBSLMSYKZOE-GHFJBTSZSA-N 490.544 4.703 50 1 JJGF N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53243122 NSNOHUZFFPPPQP-JWQCQUIFSA-N 454.578 4.821 50 1 JJGF CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(C[C@@H](O)CN2CCCC2)c2ccccc12 95595145 DQHIJWOMMVYHCW-WLUIYZDRSA-N 464.654 4.790 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587537904 LOUVRMKPJGZCBR-NFBKMPQASA-N 471.303 4.661 50 1 JJGF COc1cc2c(cc1OC)[C@]1(CCOC[C@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670790 GODPVLUEMDKJJG-IRLDBZIGSA-N 469.887 4.644 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 963269921 MQSSRHBTLVPJTC-RMKBEBRYSA-N 481.379 4.896 50 1 JJGF CCOC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nn1[C@@H]1CCCN(C(=O)CCl)C1 1857610994 GLGXTLLJCXESGD-LJQANCHMSA-N 467.953 4.921 50 1 JJGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 100567395 CUBJUHGTBBNXQL-XMHGGMMESA-N 466.950 4.522 50 3 JJGF NC(=O)N/N=C/c1c(-c2ccccc2)n(CC(=O)c2ccc(Br)cc2)c2ccccc12 103224029 QQHNYCODVYMUKJ-MZJWZYIUSA-N 475.346 4.956 50 1 JJGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)[C@@H](C2)C3=O 587414937 PRWRQYMQIITFAX-NYDSKATKSA-N 458.352 4.716 50 1 JJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)c(F)c(F)c2[nH]1 587009380 CIWZDDSFWJKTRQ-AWEZNQCLSA-N 467.701 4.724 50 1 JJGF CC(C)C(=O)[C@@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 40440409 NFACUCXXPCCQNJ-RNFDFXKYSA-N 465.005 4.623 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)cc([N+](=O)[O-])c1 587875636 YTHPUNJKYCPBHL-UHFFFAOYSA-N 456.123 4.507 50 1 JJGF CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71318084 GTHDRLFKDUOVDT-FQEVSTJZSA-N 466.708 4.568 50 1 JJGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)CC2=O 587465880 HRZMRUOHRPYROQ-WIYYLYMNSA-N 451.288 4.583 50 1 JJGF COc1c(F)cccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555237 FZSBQYSSVAFABL-PGRDOPGGSA-N 459.267 4.792 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587685473 TUVZZYMKJDJZFY-TWOIEQCOSA-N 455.165 4.694 50 1 JJGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@@H]1O)C3=O 2356524196 UTXOFYRFSXYWKW-SZPNCKNLSA-N 495.399 4.589 50 1 JJGF COC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccc(OC)cc1 13675437 IAZBIUQSFXFAEW-JOCHJYFZSA-N 464.953 4.861 50 1 JJGF CC(C)c1ccc(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 103248295 GFZYCMKZRDJTTB-RDRPBHBLSA-N 464.013 4.674 50 1 JJGF CCC(=O)N1CCc2cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587685911 SAFSRKVGSPLUFC-XMHCIUCPSA-N 465.794 4.904 50 1 JJGF COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)N/N=C/c1ccc[nH]1 653705973 HYLBBNWNLGYCLP-KBKYJPHKSA-N 467.323 4.707 50 1 JJGF CC[C@]1(CCCBr)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963154701 DMCYSSAXPMASDO-QHCPKHFHSA-N 461.400 4.765 50 1 JJGF CC(C)(C)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1 1772641490 LRXHBDUMXINFMM-UHFFFAOYSA-N 499.365 4.517 50 1 JJGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(C(F)(F)F)cc1 1857547293 RAPHHSYBWYDWSW-QPSGOUHRSA-N 466.051 4.700 50 1 JJGF c1ccc(Cc2nnc3sc(SSc4nn5c(Cc6ccccc6)nnc5s4)nn23)cc1 31910371 DXYJEPWQHDFWKC-UHFFFAOYSA-N 494.656 4.666 50 1 JJGF CCOC(=O)[C@@]1(CCBr)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102486 VGJSZWKAAXGTMT-XMMPIXPASA-N 450.332 4.978 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587685308 PNGYKCGOADXQDE-WIUDPPPLSA-N 451.767 4.835 50 1 JJGF C[C@@H]1CC2=C([C@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@@]2(C1)c1ccc(F)cc1C[C@@H]1CCCN12 963093866 BFJGEJOAGPJHDB-DXGVNGNDSA-N 485.559 4.962 50 1 JJGF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr 587673477 NDETZDHXMOGSEI-JEOXALJRSA-N 473.180 4.994 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C 587684756 MCHZELLFHSDUST-IFMYKAFSSA-N 465.794 4.902 50 1 JJGF CC1CCN(Cc2cc(Nc3cccc(N(CCCl)CCCl)c3)n3ncc(C#N)c3n2)CC1 1772583689 CRJGXLCWBWWFPV-UHFFFAOYSA-N 486.451 4.860 50 1 JJGF CCOC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323566 RWGGCBGRFJTBPK-PGRDOPGGSA-N 465.315 4.613 50 1 JJGF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O 587459794 PTQVOXDTZMKPOH-KVYZTJHFSA-N 468.388 4.889 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587538148 OEXWRSHFABJAGI-OFNKIYASSA-N 471.303 4.661 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610443 CHJBXXPDJGNUHY-MXMTWJBOSA-N 457.935 4.574 50 1 JJGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O 2356874575 YXAXVZCQERJFJA-KANIMKBRSA-N 484.677 4.987 50 1 JJGF C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255283606 YDCMTTMWZFUDMR-LNPKXBKDSA-N 450.660 4.943 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@H]1c1ccc(F)cc1 587326049 JKRMELUFUVCABL-DHLKQENFSA-N 467.880 4.981 50 1 JJGF O=S(=O)(c1ccccc1)n1ccc([C@]2(CCCl)c3c(F)cccc3C[C@@H]3CCCN32)c1 963106754 NDKTVZQCZOEYRV-GBXCKJPGSA-N 458.986 4.757 50 1 JJGF COc1ccc(C[C@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963173967 ADHZZUOYLNYFDM-IEBWSBKVSA-N 492.719 4.799 50 1 JJGF CN(C)CCSSCCN(C)C(=O)[C@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C 618009816 KOAFKCBXXHQYOS-JOCHJYFZSA-N 483.703 4.936 50 1 JJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1ccc(NC(=O)c2ccccc2)cc1 963609733 OEIHKKRKHAYOKV-MRDQGFSESA-N 450.966 4.973 50 1 JJGF C=C(C=CC=C(CO)[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 2356574378 XVFORSWJIMCHND-CDTAUBPISA-N 486.693 4.970 50 1 JJGF Cc1cc([S@](=O)C(F)(F)[C@@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500359 OTSINPJLWYNOBQ-XHDOVSQSSA-N 468.831 4.778 50 1 JJGF CN(C1CCNCC1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 102990438 GGVFTMZBZDMNKY-HDICACEKSA-N 459.656 4.602 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1cccc(F)c1)[C@@]2(C)Br 169371472 DFCFMQCTNPNDEL-AKKWPEGJSA-N 456.352 4.963 50 1 JJGF CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325189 CNOMHXYKCCFUOC-NOZRDPDXSA-N 453.897 4.661 50 1 JJGF C[C@@H](Br)[C@@]1(c2ccccc2C(F)(F)F)NCCc2ccc(C(=O)N(C)C)cc21 962922747 HBNOOJADDZTALA-XCLFUZPHSA-N 455.318 4.580 50 1 JJGF C[C@](O)(COc1ccc(N=C=S)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970248 HRHIPNPECPDAEA-KRWDZBQOSA-N 475.832 4.770 50 1 JJGF COc1ccc2cc(C(=O)N/N=C/c3cc(Br)c(O)c(Br)c3O)ccc2c1 95586726 JJSQZCPXAVEIHZ-LSFURLLWSA-N 494.139 4.549 50 1 JJGF Cc1cc(Br)ccc1SCC(=O)OC/C(O)=C(/C#N)c1nc2ccccc2[nH]1 102867447 KLQMOTDOHCDICI-SAPNQHFASA-N 458.337 4.762 50 1 JJGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCCCCCCCC(=O)NN 587868129 VETUSIWYXVUVGN-UHFFFAOYSA-N 469.508 4.504 50 1 JJGF Cc1ccc(CSCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 33332181 YZXMSWHOSVYCEE-DICXZTSXSA-N 461.587 4.704 50 1 JJGF COc1cc2nc(Cl)nc(NCCCNC(=O)CCCC[C@@H]3CCSS3)c2cc1OC 73138999 MCFOZDJLZMYCEJ-CQSZACIVSA-N 485.075 4.933 50 1 JJGF CC(C)(Br)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539021 UEYLOMHFQPLFRN-RDTXWAMCSA-N 456.130 4.661 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C(F)(F)C(F)(F)F 587549725 RJDJIGLTJCNMIS-WFASDCNBSA-N 453.157 4.685 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 587711058 VOCOXMJQQTYUFW-KGFZYKRKSA-N 455.034 4.910 50 1 JJGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1C2=O 82151314 ONIFFBOCCWDBNW-UHFFFAOYSA-N 486.833 4.910 50 1 JJGF C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325079 BYJJXZVVTAGNJZ-KTIWRFAQSA-N 467.924 4.615 50 1 JJGF CCOC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1CBr 587874847 IOKQWFFMHPYUIM-UHFFFAOYSA-N 483.189 4.775 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 963271562 WGORHEXWZMTJKK-IYJVBRSBSA-N 481.379 4.896 50 1 JJGF COc1cc(/C=N/NC(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)c(F)c2)cc(OC)c1OC 1857649714 CEENIXFUQLHDOL-XODNFHPESA-N 479.468 4.627 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(C)cc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45284324 DNDFBDHSJXBXEZ-DEOSSOPVSA-N 473.573 4.962 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587323680 MEWRCPOEYPFSCS-XGHFZOJJSA-N 457.885 4.642 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)O2 587372539 MJGUKKPAUUCPEZ-QYBDOPJKSA-N 466.965 4.935 50 1 JJGF COc1ccc(OC)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587672191 DXTYITLEJDHWPD-JEOXALJRSA-N 473.180 4.778 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1ccc(Cl)c([N+](=O)[O-])c1 963045503 GJYSNJIXKKOHFW-FQEVSTJZSA-N 462.731 4.589 50 1 JJGF Cc1cc([C@]2(CBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(F)cc1Cl 963239127 ZXEPWWIJBIUNHE-CTNGQTDRSA-N 463.734 4.573 50 1 JJGF Cn1cc(CN(C(=O)CCl)c2cc(C(=O)Nc3cccnc3Cl)cc(C(F)(F)F)c2)cn1 1857651862 FPAWUYWUNGMNAZ-UHFFFAOYSA-N 486.281 4.512 50 1 JJGF N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C(\S)Nc1ccccc1 49046670 AUZLXLWOCJMXHU-GVMQUSFTSA-N 492.560 4.527 50 1 JJGF CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1OCC 95809020 HUVCBMXIFJOAAC-NLRVBDNBSA-N 455.555 4.619 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(N2CCCCC2)s1 587609752 DEIUGZIVHJDHAC-AUSIDOKSSA-N 456.951 4.935 50 1 JJGF CC(C)(O)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]2CC1=O 2356811265 YVQVUHJNIVGAHG-FBESYSLLSA-N 453.535 4.929 50 1 JJGF C[C@H]1C[C@@H](C)C[C@H](C)[C@H](O)/C(C#N)=C/C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C1 73351201 OJCKRNPLOZHAOU-LJDXAWRUSA-N 489.653 4.636 50 1 JJGF in-vitro CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C[C@@H]1C 587545275 QFZJUDFCNYTAPO-AQYHOGPUSA-N 463.917 4.786 50 1 JJGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCCNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1857651363 OHVVKICDXDINCI-UHFFFAOYSA-N 493.954 4.578 50 1 JJGF N#CC1=C(c2cccc3ccccc23)CN(C(=O)Cc2cncn2Cc2ccc(C#N)cc2)C=C1 31976848 AVPJPODZQRJTHL-UHFFFAOYSA-N 455.521 4.832 50 1 JJGF O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325936 ICQXYKDKHADMMP-UPVQGACJSA-N 474.315 4.794 50 1 JJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1cc(O)ccc1O 961748998 KIPKBGHXCRAOFR-DEOSSOPVSA-N 489.410 4.888 50 1 JJGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948501 AMXAYXBTIWNCLU-LHSJRXKWSA-N 462.940 4.704 50 1 JJGF CC(C)(Br)[C@H](Br)CC[C@@]1([C@H](Br)CBr)CO1 5941544 GGAPYRSAAHUZID-MRTMQBJTSA-N 471.853 4.631 50 1 JJGF CN(C)CCCOc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 66166394 AXBJSPHFMZXNGN-UHFFFAOYSA-N 453.414 4.945 50 1 JJGF CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587687108 YULRKOMSZDLGPK-WHEQGISXSA-N 465.794 4.904 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@H](C=C(C)CC=CC(C)(C)OO)O3)O[C@@H]2C=C1C 2356746897 YGBUJACBKXHYOB-DWVJAJOPSA-N 474.594 4.794 50 1 JJGF Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 993611 DTLQNNRKOJXKKE-ZVBGSRNCSA-N 479.128 4.645 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587538049 MLUASZKZXNTGIU-YSZBQJHXSA-N 475.335 4.611 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@@H]2COc3ccccc3O2)N1 587672180 DQLFGAHCQWZDKO-DQNAHFDYSA-N 471.164 4.553 50 1 JJGF CCOC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674456 WSRMVBCTTVMFDF-MPBGBICISA-N 485.191 4.938 50 1 JJGF COc1cccc(OC)c1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674746 ZYGIFHFUOSJQBZ-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF O=C(CCCC[C@@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O 43063129 JHNYMWPQZHGTMM-QGZVFWFLSA-N 492.663 4.619 50 1 JJGF C=C(CC[C@H]1OC1(C)C)[C@H](Br)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 230817322 IQWIQURCMLANFO-ZFRLZFHFSA-N 493.438 4.548 50 1 JJGF C[C@H](Br)C1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587669190 AYYPFQUVIQIDEH-VGMNWLOBSA-N 458.007 4.885 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1F 963190669 WSEPJFSTKIGILA-SCLBCKFNSA-N 496.682 4.744 50 1 JJGF O=C(CCl)Nc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)OCO2 586985483 ILRLRXSFRSQELQ-UHFFFAOYSA-N 458.857 4.725 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1ccc(-n2cnc(C)c2)cc1 963030802 FEKUMWYJTLUIIY-DEOSSOPVSA-N 463.379 4.522 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1ccc(-n2cnc(C)c2)cc1 963030803 FEKUMWYJTLUIIY-XMMPIXPASA-N 463.379 4.522 50 1 JJGF O=C(O)C[C@@H](CC(=O)NNC(=O)c1cccc(Nc2ccccn2)c1)c1cc(Cl)cc(Cl)c1 13862990 GWLCGVOXRULCBR-MRXNPFEDSA-N 487.343 4.542 50 1 JJGF [C-]#[N+][C@@H](F)Oc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 261098828 FXMUBNGKWUSIMV-LJQANCHMSA-N 458.471 4.849 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](Br)C2 587682055 MJECLRPBNIAZBI-IRKUAANASA-N 455.165 4.694 50 1 JJGF C[C@H](Br)[C@@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962706474 XPENQXMEWZVOHZ-QIGVCLAPSA-N 464.228 4.610 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587559620 YASAADMHCBNCTP-DENIHFKCSA-N 459.267 4.792 50 1 JJGF O=C1CSc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 587617573 KJUQFXHUVGIKTA-NZQKXSOJSA-N 453.903 4.532 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCO3)N1 587674697 ZNLJDPBKHNXRBT-WLRWDXFRSA-N 455.165 4.696 50 1 JJGF COC(=O)[C@]12CCCC(C)(C)[C@@H]1[C@@H](Cl)C(=O)c1cc(C(C)C)c(OC(C)=O)c(OC(C)=O)c12 1857572493 NQQCRPGVPOOHMH-PZGSVQSZSA-N 478.969 4.701 50 1 JJGF COc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 58592709 CESRMYWARYDYEF-UHFFFAOYSA-N 477.517 4.518 50 1 JJGF CC1(C)[C@H](Br)CC[C@]1(C)C1=C[C@@]2(O)[C@](C)(CC1=O)[C@@H](Br)CC[C@@]2(C)O 140465270 GPIPXHVAGIMQCR-WFDVMHAPSA-N 478.265 4.521 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 587670298 JQSRSACRFDNQBT-XTDINYQCSA-N 471.164 4.604 50 1 JJGF C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857609595 SZVZLPOKYNPBJK-INIZCTEOSA-N 463.421 4.647 50 1 JJGF COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC 95567201 RASUYEQWKLFCLA-RUZDIDTESA-N 483.524 4.851 50 3 JJGF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2Cl)N1C(=O)CCl 66103306 PFLGCQQXTNLMGZ-PXNSSMCTSA-N 451.737 4.729 50 1 JJGF O=C(O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587320085 DPLHORAYBOHPCJ-OFNKIYASSA-N 471.278 4.879 50 1 JJGF COc1cc2c(cc1OC)[C@@](CBr)(c1cc(-c3ccccc3)no1)N(C)[C@H](C)C2 962623252 IHRLPPNOSXTCIN-CMJOXMDJSA-N 457.368 4.874 50 1 JJGF COC(=O)C(CC(=O)O)=C(CCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O)C(=O)O 2356821300 FZEVWMGPRUZKFP-UHFFFAOYSA-N 494.581 4.877 50 1 JJGF O=C(Cc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 27635672 GYVITGGVQRJBDC-UHFFFAOYSA-N 450.716 4.791 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([N+](=O)[O-])c1CBr 587874614 DFLKYUJKUIRWNO-UHFFFAOYSA-N 456.123 4.507 50 1 JJGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc(OCCBr)cc2)N1 963185738 PZUUGNJLDPHPIH-IAGOWNOFSA-N 478.692 4.821 50 1 JJGF N#CC1=C(N)OC(c2ccccn2)=C([S@](=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 1857639968 NFMKLQHJRCNTTO-OGPYBGEISA-N 478.917 4.627 50 1 JJGF CC(C)[C@@H]1C[C@H](OO)C=C2[C@@H]3[C@](C)(O)[C@H](O)C[C@H](Br)[C@]3(C)CC[C@@]21CBr 2356455622 BDSVYFLMKBMVBZ-BEEYJRGMSA-N 496.280 4.524 50 1 JJGF COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)ccc1OCc1ccccn1 115598396 FAEYHKQWPWAMSA-MUFRIFMGSA-N 456.546 4.781 50 1 JJGF COc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587671757 AMOBQEUGJHVYIW-YPMLDQLKSA-N 488.151 4.678 50 1 JJGF COc1cc(Nc2nc(C(F)(F)F)ccc2C(=O)N/N=C/c2ccccc2)cc(OC)c1OC 1772582720 BQKLDKJDDIUCCQ-UVHMKAGCSA-N 474.439 4.634 50 1 JJGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Br)[C@H]1c1ccccc1 254134193 VQOLLBMSCRRQPS-IODINVCISA-N 460.368 4.652 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587361551 VOKJZRLTFWPWOP-UPVQGACJSA-N 474.937 4.650 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674156 TYDVQQVVHDFBCY-YBTHPKLGSA-N 482.191 4.646 50 1 JJGF O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N/N=C/c1ccc([N+](=O)[O-])cc1 12971209 MPOFVEKUUXMBJY-MFKUBSTISA-N 457.515 4.894 50 1 JJGF COc1ccc(/C=N/C2=C(C#N)[C@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313702 GTEIPBYBXYAZMS-ZZCYRZQJSA-N 469.589 4.808 50 1 JJGF COc1cc(Br)c([C@@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1OC 64373236 VRRZUVLFYAQXAA-NRFANRHFSA-N 477.318 4.690 50 1 JJGF C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539281 VFDFHFOHDMOZDC-NFBKMPQASA-N 468.303 4.603 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724176 FGTSSTXPTNJBSZ-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF CN(C)c1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963172561 DCIFWHGRMHLIST-IEBWSBKVSA-N 491.735 4.662 50 1 JJGF COc1ccc(F)cc1[C@@]1(CCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441197 AYLVSCVNLPQDHC-CUNXSJBXSA-N 492.934 4.950 50 1 JJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccs1)C(Br)Br 963633407 HYNNRSZBHIHMEP-BMLIUANNSA-N 461.219 4.659 50 1 JJGF CCCCCCCC[C@H](Cl)[C@H](O)CC=CC=C[C@H](O)CC(=O)NC1=C[C@](C)(CC)OC1=O 2356715074 PGBQPIINQSJCRD-JBAWTIAASA-N 470.050 4.684 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545900 SJIHDFPFORPOPI-KDLRFSOSSA-N 465.933 4.555 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(F)c2O)N1 587721208 PEVYVUXRDQARLT-RBHXEPJQSA-N 465.107 4.745 50 1 JJGF CC(=O)Nc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587327693 QUYROKQXRSUTDE-VWNXMTODSA-N 455.869 4.689 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2=O)cc1 587539886 YKVLCDRODOAHLU-WIOPSUGQSA-N 494.341 4.771 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1C 962949146 BOFALVSNRJCYEE-JOCHJYFZSA-N 470.919 4.571 50 1 JJGF CCCCCCCC[C@H]1CC2=C(C[C@@H](CCCC=CCO)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356323675 DNJJFLDGXGVLGN-MOPGFXCFSA-N 490.593 4.718 50 1 JJGF CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672113 CXKGRMKMYFGPIX-VOJFVSQTSA-N 465.201 4.692 50 1 JJGF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)cc1OC 587874902 JPNIJSXVKMNNRC-UHFFFAOYSA-N 471.178 4.616 50 1 JJGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 40917293 IIPSDCAAUFOGMI-MZJWZYIUSA-N 458.905 4.744 50 1 JJGF COCCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587543476 KQBRNOIBOUTEOV-DHLKQENFSA-N 455.938 4.943 50 1 JJGF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCBr 587538039 MITCWZOVSJAIHH-REWPJTCUSA-N 471.303 4.877 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl 15115484 OFHJKWNSOIQOPB-HABZLNOVSA-N 462.970 4.875 50 1 JJGF endogenous,in-man C[C@@]12CCSSC[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCCO)[C@]42CC3=O 2356529025 QGUBUYXZODWBNX-UYGGWCPKSA-N 465.729 4.648 50 1 JJGF C/C(=N\NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)c1cccc2ccccc12 40974082 CBIDLVYDZWWCQY-CTZOFECYSA-N 485.609 4.578 50 1 JJGF CC(C)(Br)[C@H](Cl)C[C@H](Br)[C@@](C)(Cl)[C@H](O)CBr 238777202 KQVXETPFCBHLRH-OKJYPTKPSA-N 463.863 4.674 50 1 JJGF O=C(CCCCCCCCCc1ccccc1)O[C@@H](CBr)COP(=O)(O)O 1911580343 IHTMTVSBHMPLJC-SFHVURJKSA-N 465.321 4.766 50 1 JJGF Cc1cc(Br)ccc1SCC(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101739942 KLQMOTDOHCDICI-VKAVYKQESA-N 458.337 4.762 50 1 JJGF CN(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539738 YATSDQCGFCLBGD-NZQKXSOJSA-N 454.320 4.710 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587542192 FXTVLZFQSPCIAF-NTKDMRAZSA-N 455.894 4.610 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674601 YAKQSCUXKBOXLB-BIBXISHDSA-N 482.191 4.646 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(OCCCBr)cc3)N12 962674427 WQSHZTNAEKCULC-QPPBQGQZSA-N 469.379 4.587 50 1 JJGF CC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Oc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 1857748230 LTJAJOVBRKADBM-JFLMPSFJSA-N 495.499 4.895 50 1 JJGF CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1Cl 33538123 BNSRGIAKXIQBFJ-UHFFFAOYSA-N 466.991 4.560 50 1 JJGF CN1C(=O)CCc2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587497564 CXAQZUWSDQNENY-DEOSSOPVSA-N 454.364 4.730 50 1 JJGF CCOC(=O)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)c1ccccc1 43427190 FPEQFAHPKQUFAG-ZCVDSIKMSA-N 460.567 4.906 50 1 JJGF COc1cc2[nH]c3c(C[C@H](Br)C(C)(C)O)c(O)c(C=O)cc3c2cc1Br 72114188 APDFFKOKRGUFJW-INIZCTEOSA-N 485.172 4.687 50 1 JJGF CC(C)C(=O)[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 253665339 NFACUCXXPCCQNJ-PNMCHQGVSA-N 465.005 4.623 50 1 JJGF CCOC(=O)/C(C#N)=C\Nc1ccc([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)cc1 962374418 PQMWIJHDSILURG-ULOIVOIOSA-N 460.603 4.791 50 1 JJGF O=C1CCCN1c1ccc([C@@]2(CBr)c3ccsc3CCN2Cc2cccnc2)cc1 963018707 YCPDHEDNJUPNDX-DEOSSOPVSA-N 482.447 4.967 50 1 JJGF C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 96934097 AQXRRDKVVJWBBO-HYZYYIOASA-N 471.465 4.900 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587673760 PSWYGQLRMNPSEK-YPMLDQLKSA-N 488.151 4.678 50 1 JJGF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)c(Cl)c2)N1C(=O)CCl 66101761 XFDLAGZBCJIJGU-PXNSSMCTSA-N 451.737 4.729 50 1 JJGF COC(=O)[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]12C(C)(C)C(Br)=C[C@H]1O[C@]12C 238780385 BDRYVLGCKMGCOO-ZUDSROPTSA-N 470.629 4.793 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(N2CCCC2=O)c1 587539267 VCYVIDDGAGPUST-RDGATRHJSA-N 494.341 4.771 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689072 PJGFLSOMQRSYFD-GWUBFIHGSA-N 457.771 4.725 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724702 LHZJBXJUFRQEKZ-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962643979 SORFPMBYWFVCIK-NZQKXSOJSA-N 475.850 4.855 50 1 JJGF C/C(=N\NC(=O)c1cc(Br)cc(Br)c1O)c1cc2ccccc2[nH]1 95561987 LEFFJZNVRKPQCS-ZVBGSRNCSA-N 451.118 4.553 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@H]1c1ccc(F)cc1 587332141 JEJFJZASMGOHLF-UPVQGACJSA-N 467.859 4.744 50 1 JJGF COc1cccc(OC)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538515 PIYLISSKZZRNRT-NFBKMPQASA-N 471.303 4.661 50 1 JJGF COC(=O)c1cccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671717 AHULRTPCWRTHCN-WYRIXSBYSA-N 471.164 4.548 50 1 JJGF Nc1cc2c(cc1[C@@]1(CCl)NCCc3c1[nH]c1ccc(OCc4ccccc4)cc31)OCCO2 963817789 PXVHBJJZGCDHOY-HHHXNRCGSA-N 475.976 4.728 50 1 JJGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1ccc(F)cc1 1772581896 BYDKQNGXTDAHMY-NUEKQDCXSA-N 484.568 4.523 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 587371478 FUYPBLIVILJRFK-KRWDZBQOSA-N 450.149 4.568 50 1 JJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 95808879 GYFRSBUJNCEBLH-LUOAPIJWSA-N 457.399 4.517 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587849815 WBWHAPCZXNJWBL-VVVCHXIZSA-N 477.193 4.609 50 1 JJGF CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587672620 GQPSQWRNAQUQMK-MPBGBICISA-N 485.191 4.938 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 587674639 YJEAHQPDEIRVET-WLRWDXFRSA-N 471.164 4.532 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(F)(F)C(F)(F)F)N1 587711061 VOCOXMJQQTYUFW-UPONEAKYSA-N 455.034 4.910 50 1 JJGF CC(C)c1nn(C)c2c1[C@](CCCCCl)(c1ccc(I)cc1)NCC2 962914239 SEEXOXQNNLHNEL-FQEVSTJZSA-N 471.814 4.947 50 1 JJGF O=C(Nc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1)c1ccc(B(O)O)cc1 1772611533 CFWUFYYUDUPERX-UHFFFAOYSA-N 472.313 4.545 50 1 JJGF C[C@H]1Oc2ccccc2C=C1C=NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2356580422 VBYRVFSKLIRPLQ-UZUQRXQVSA-N 474.561 4.570 50 1 JJGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2cc1OCCN(C)C 1861418 ICDLORFTMVAAEZ-KRWDZBQOSA-N 493.007 4.835 50 1 JJGF COc1ccc(Br)cc1/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 95808524 IOUHSSNRKKUJRS-BUVRLJJBSA-N 476.371 4.593 50 1 JJGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587416930 GKWMTEZVTKMUMC-UGIARPQZSA-N 463.917 4.593 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C 587684759 MCHZELLFHSDUST-VJBOLBCHSA-N 465.794 4.902 50 1 JJGF COCCCN1CCc2ccc(OC)cc2[C@@]1([C@H](Cl)C(=O)c1ccccc1)C(F)(F)F 961321571 JXNCUHUALFVELI-FGZHOGPDSA-N 455.904 4.838 50 1 JJGF C[C@]1([C@H](Cl)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccsc2CCN1C(N)=O 962705458 NSJPLNXSLZVQKD-RHSMWYFYSA-N 466.312 4.818 50 1 JJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](OC(C)=O)C[C@@H](Br)[C@H](CC)O1 2356306678 POXMPQJRUHCCSF-AOEXVQCMSA-N 470.629 4.590 50 1 JJGF CC(C)C[C@H](NC(=O)[C@@](C)(CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650925 XIPJWXBPVPSNSU-NZQKXSOJSA-N 492.401 4.840 50 1 JJGF CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285272 IZRGLDOOJYENBQ-UHFFFAOYSA-N 453.995 4.860 50 1 JJGF COC(=O)c1cccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671715 AHULRTPCWRTHCN-NSPYISDASA-N 471.164 4.548 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587673456 MWLCTDPNOFZNLV-WYRIXSBYSA-N 471.164 4.548 50 1 JJGF O=C(CC[125I])Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 101110330 FPKWADQMZKTROC-STTHPYEQSA-N 468.674 4.930 50 1 JJGF O=C(OO)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 299838528 UYSQJVRZCCNWBW-MHZLTWQESA-N 475.585 4.778 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587673008 JKVKZUPWUPXFBT-LRTDBIEQSA-N 496.218 4.888 50 1 JJGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 40368850 KIPNYWJLWBWXIJ-PLOVCHRTSA-N 495.445 4.576 50 1 JJGF CC1(C)C[C@@](O)(C[C@@H]2CC[C@]34C(=O)O[C@](C)(CC[C@@H]3Br)[C@@H]24)CC[C@@H]1Br 85637894 JHJKMBYLQWELLH-XYCNUODWSA-N 478.265 4.967 50 1 JJGF O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325935 ICQXYKDKHADMMP-LADGPHEKSA-N 474.315 4.794 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3ccc(O)c(Cl)c3Cl)N12 962668383 ODKHCGIDMPZHRX-FCHUYYIVSA-N 465.764 4.828 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 963271564 WGORHEXWZMTJKK-RMKBEBRYSA-N 481.379 4.896 50 1 JJGF CCCCSc1cccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)[C@H](O)C[C@@H]([C@H]2C)[C@]53OO4)c1 1772585408 CYUHNPXTIONZMX-XEHUVQFZSA-N 492.634 4.914 50 1 JJGF CC1=C[C@@]2(C)OO[C@H]1[C@]1(C)[C@H](C(C)=C[C@]3(C)O[C@H](C)[C@]4(C)O[C@H]34)[C@](C)([C@H](O)[C@@H](C)C(=O)C(C)C)[C@@H]21 2356825317 HBYUNGWMFHIERU-XWYOCJNXSA-N 488.665 4.797 50 1 JJGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCC2=CCCCC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504235482 RCDJEKRGEWVOFY-SJCATSOVSA-N 491.625 4.525 50 1 JJGF biogenic COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672982 JJNNRAVUWZOSQZ-NSPYISDASA-N 473.180 4.778 50 1 JJGF CCOC(=O)c1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673653 OYBBWUJAXMMOIO-ODXCJYRJSA-N 485.191 4.938 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587737170 YLKWHVQMHKQIQA-SBKAZYGRSA-N 455.730 4.629 50 1 JJGF N#C/C=C/c1ccc(Nc2nc(Nc3ccc(C#N)cc3)ncc2C(=O)NCCCN2CCCC2)cc1 1857655983 AJZLXLLTXVDOHY-HWKANZROSA-N 492.587 4.588 50 1 JJGF CC1(C)[C@@H](Br)C[C@H](O)[C@@](C)(Br)[C@@]12Cc1cc(Br)ccc1O2 14769708 HCBUQIUMHCLVBM-WMHQRMGPSA-N 483.038 4.831 50 1 JJGF O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@H](CCl)c2c1cc([N+](=O)[O-])c1ccccc21 72107117 FTLNEAVBTKXGIH-HNNXBMFYSA-N 465.893 4.583 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545901 SJIHDFPFORPOPI-NCDVJINYSA-N 465.933 4.555 50 1 JJGF CC(=O)NCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685270 PCEVYQQQNUKVFK-FPTDNZKUSA-N 467.810 4.674 50 1 JJGF CC[C@H](Br)[C@]1(c2ccccc2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963152108 UCEHNILYDOUWNQ-VWKPWSFCSA-N 481.412 4.807 50 1 JJGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OC)c2)s1 13584657 SZJIWCQSUXKDQT-MHWRWJLKSA-N 499.390 4.996 50 1 JJGF COC(=O)[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]12C(C)(C)C(Br)=C[C@@H]1O[C@@]12C 2356456368 BDRYVLGCKMGCOO-FMAWOHPJSA-N 470.629 4.793 50 1 JJGF Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(C(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 36382788 WGVWOKATIGYYPT-UHFFFAOYSA-N 485.565 4.597 50 1 JJGF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4[C@@H](Br)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714158 NIWUBSPKINAVMT-IBYGUDHWSA-N 451.449 4.501 50 1 JJGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587376686 PWELGRPTDVVNMI-FYYLOGMGSA-N 459.926 4.722 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587674479 XBDGLSLIYRSEPM-YEJXKQKISA-N 496.218 4.888 50 1 JJGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C(C#N)=C\c5ccccc5)[nH]c4c3)cc2)CC1 587187032 CKBMIXZZOPXZKU-PLRJNAJWSA-N 490.611 4.669 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc4c(c3)Cc3ccccc3-4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308388 GXEMURUCJHRHFM-MUKZZNGVSA-N 474.601 4.956 50 1 JJGF COc1cccc(OC)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538519 PIYLISSKZZRNRT-OFNKIYASSA-N 471.303 4.661 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 587678237 CCFWIPKAXHZSCR-APBUJDDRSA-N 464.132 4.928 50 1 JJGF C[C@@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955408 KWVTYAKSGRGVKC-IQMFZBJNSA-N 467.915 4.855 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169368272 NYJRVVZQFCMWJL-PMFCRFFKSA-N 464.530 4.956 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587361550 VOKJZRLTFWPWOP-LADGPHEKSA-N 474.937 4.650 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 587673331 MBLAXMZWRLIFSB-BMLIUANNSA-N 458.125 4.669 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962713420 REEIFPPTDSXDAV-WAIKUNEKSA-N 451.007 4.793 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587328829 VYMDMLVIZPQGCS-HYBUGGRVSA-N 457.885 4.756 50 1 JJGF O=[N+]([O-])c1ccc(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 43677116 GKXRRZUYDZUOQO-UHFFFAOYSA-N 481.144 4.779 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O 587484994 IRHBUMSXVDKVGN-DEOSSOPVSA-N 473.978 4.873 50 1 JJGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC/C=C/C(C)(C)OO)[C@H]1/C=C/OC(=O)C=C(C)C 95919358 ZNBNYYUOWWKVCP-IVCIRAHBSA-N 462.583 4.723 50 1 JJGF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c[nH]c3ncccc23)N1 587672437 FVDIJLVFNDHMBI-XTZNXHDOSA-N 453.153 4.637 50 1 JJGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc3ccccc23)c1 25998041 XJRSYSMOPWTUQP-UHFFFAOYSA-N 493.523 4.864 50 1 JJGF N#CC1=COc2cc(Br)ccc2[C@@]12N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963190799 NWOIWLKCGIRSAJ-KUHUBIRLSA-N 499.670 4.764 50 1 JJGF CC[C@H](C)C[C@H](C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)C=C(C)C=O)CO 2356844491 NVPXIJZSAVUDBQ-PCVFONQVSA-N 464.687 4.616 50 1 JJGF Cc1c(Cl)cccc1NC(=O)NCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 98082004 HMJUWEHHLJXBCU-HICHKTKCSA-N 495.016 4.995 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1F 963190668 WSEPJFSTKIGILA-FZKQIMNGSA-N 496.682 4.744 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)CC(=O)O)N1 587672132 YERGZUPMYUUPIA-PRIMNGNOSA-N 471.164 4.604 50 1 JJGF CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](c2ccco2)C(C#N)=C(N)O1 587743426 DPCOCZUEYGXSKL-VWTBYNNMSA-N 458.331 4.712 50 1 JJGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2cccs2)cc1 618017869 RFARVHFUZOSDBE-NQIIRXRSSA-N 491.748 4.601 50 1 JJGF CCCN1[C@H](C)Cc2ccccc2[C@]12/C(=C(/C)NNC(=O)c1ccccc1)C(=O)c1ccccc12 963239760 JFZOPOBFPDLRAH-XIRSXKEISA-N 465.597 4.992 50 1 JJGF Cc1ccc(C)c(NC(=O)NCCO[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 98082003 AULMRHWQUPNPKV-JYNJRLQTSA-N 474.598 4.650 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O 587422696 QBNWHIJXYWQMHQ-SGTLLEGYSA-N 461.205 4.771 50 1 JJGF CC(C)C[C@@H](NC(=O)[C@@](C)(CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650926 XIPJWXBPVPSNSU-NFBKMPQASA-N 492.401 4.840 50 1 JJGF O=C(N/N=C/c1ccc(CS(=O)(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 13492698 UXNOWUAXELEINC-VULFUBBASA-N 470.978 4.820 50 1 JJGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(CBr)cc41)[C@@H](C2)C3=O 587414824 XWNLMUFPAKJYOL-CPJSRVTESA-N 461.311 4.826 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCO3)N1 587673503 NMXSRLCZTAEGKG-WLRWDXFRSA-N 455.165 4.696 50 1 JJGF COc1ccc(-c2cc(=O)c3c(O)c4c(cc3o2)OC(N)=C(C#N)[C@@H]4c2ccc(F)cc2)c(OC)c1 1911573239 JOOGKBCOMNNEPP-QHCPKHFHSA-N 486.455 4.540 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O 587414104 KINBGQKJOCAEGD-LIRRHRJNSA-N 468.141 4.504 50 1 JJGF C[C@@]1(c2ccc(NC(=O)CI)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510829 XBGXNBSTADSSMG-QFIPXVFZSA-N 475.326 4.820 50 1 JJGF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr 587673478 NDETZDHXMOGSEI-NSPYISDASA-N 473.180 4.994 50 1 JJGF CS(=O)(=O)c1ccc([C@@]2(CBr)c3ccsc3CCN2Cc2ccco2)cc1F 962709449 NNBVQIXDWKTXQA-FQEVSTJZSA-N 484.412 4.581 50 1 JJGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2ccc(Cl)cc2)c2ncccc2c1 1772613631 BDHDCMMPTYQRQN-HNNXBMFYSA-N 470.961 4.513 50 1 JJGF COCC1=CC[C@](C)(CC=CC(C)(C)OO)[C@@H](C=COC(=O)C=C(C)C)[C@H](CC(C)=O)C1=O 2356665796 FLCCFFRXIUCVFQ-MCEYFSPLSA-N 462.583 4.987 50 1 JJGF Cn1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc(Br)c1Br 169702867 FXBBXMNMBMJTDL-NGYBGAFCSA-N 453.949 4.621 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587686262 TUUNYJRJAJWJQG-ZINOCKGTSA-N 461.803 4.956 50 1 JJGF CC(C)(C)OC(=O)NN=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894671 VDINQERNYILSBW-UHFFFAOYSA-N 478.351 4.702 50 1 JJGF CC[C@H](C)C[C@H](C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@@H](C)C=C(C)C=O)CO 2356844489 NVPXIJZSAVUDBQ-MCKAXGQHSA-N 464.687 4.616 50 1 JJGF Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 40406306 LXMIUXCPSCWEDN-FUHWJXTLSA-N 494.005 4.658 50 1 JJGF C[C@@](Br)(CBr)Cn1cc(Br)c(=O)c2ccc(Cl)cc21 103266913 GQGMQNKRSXKJSR-CYBMUJFWSA-N 472.402 4.966 50 1 JJGF CC(C)(O)C1=CC2=CC[C@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1=O 238771318 YVQVUHJNIVGAHG-RKLBZIAJSA-N 453.535 4.929 50 1 JJGF CCCN1[C@H](C)Cc2ccccc2[C@]12/C(=C(\C)NNC(=O)c1ccccc1)C(=O)c1ccccc12 963239748 JFZOPOBFPDLRAH-CTOLRFKMSA-N 465.597 4.992 50 1 JJGF Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1 71316249 ODFUOQFYDRWFBE-UHFFFAOYSA-N 486.963 4.698 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)CCl)cc21 587374296 VRGXXHFJRONUCT-VWLOTQADSA-N 481.335 4.861 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(OCCCBr)cc3)N12 962674448 WQSHZTNAEKCULC-URXFXBBRSA-N 469.379 4.587 50 1 JJGF O=C(O)C[C@H](Br)[C@]1(c2cccs2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962718060 XMVQQZCHSLGLIN-VOWSPCBNSA-N 470.429 4.733 50 1 JJGF O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857563774 QHOZUKAWJGYOPU-UHFFFAOYSA-N 494.920 4.597 50 1 JJGF C=C1CC[C@H](Br)[C@]2(C)[C@H](OC(C)=O)C[C@@H]3[C@H]([C@H](C(C)C)[C@H](OC(C)=O)C[C@@]3(C)O)[C@H]12 2356422435 CJMZSYYBYRJMHN-WBTRQGOWSA-N 485.459 4.649 50 1 JJGF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1C(=O)CCl 66103355 PFLGCQQXTNLMGZ-FXAWDEMLSA-N 451.737 4.729 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587419428 FZRKENBZLUQVKS-LIRRHRJNSA-N 457.242 4.760 50 1 JJGF CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684089 KIJXSLTUMUGINE-JLCFBVMHSA-N 467.810 4.674 50 1 JJGF CC(=O)N1CCc2sc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C1 587859463 WXZIFDRTFWHXKA-PRWKNARSSA-N 471.823 4.571 50 1 JJGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc(Br)ccc1Br 1857549043 ALQAJLQHMJOEDC-KPSZGOFPSA-N 466.944 4.988 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101470959 NYJRVVZQFCMWJL-IPSCFRKDSA-N 464.530 4.956 50 1 JJGF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4[C@@H](I)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714120 GATDMMIZAJMORD-IBYGUDHWSA-N 498.449 4.541 50 1 JJGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccoc43)[nH]c2c(OC)c1OC 205937955 DWQYILVVCVQOOR-GFCCVEGCSA-N 456.882 4.628 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(Br)c1F)[C@@H](C2)C3=O 587426173 MFGINHBIUADLCU-SGTLLEGYSA-N 456.105 4.635 50 1 JJGF CCOC(=O)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)c1ccccc1 102095812 FPEQFAHPKQUFAG-AXJUEGHESA-N 460.567 4.906 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(N2CCCC2=O)c1 587539263 VCYVIDDGAGPUST-DHLKQENFSA-N 494.341 4.771 50 1 JJGF COc1cccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587724878 MCKXGGFTMVJWLE-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF CCOc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962633224 GGYFVOUIXTZGIZ-PWUYWRBVSA-N 452.554 4.551 50 1 JJGF C=C(C=O)[C@@H]1CC(=O)C=C2[C@@H](OC(=O)/C=C/C=C/[C@H](C)C[C@@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C 34036643 PDQFETFKTODSNI-LLIYNUAJSA-N 456.579 4.854 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 587672137 CYSJKJVPARDTIJ-CWTRNNRKSA-N 456.197 4.827 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587686252 TUUNYJRJAJWJQG-GIJMVEMTSA-N 461.803 4.956 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587848440 OMCUSNAKDWUKKP-FDMGOTLNSA-N 459.812 4.691 50 1 JJGF CC(=O)N1CCc2sc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C1 587857712 MRSDHZLIICWZFP-BIBXISHDSA-N 471.823 4.571 50 1 JJGF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccnc(Cl)c1 653700815 QEGRFODFPONNHD-UHFFFAOYSA-N 485.327 4.629 50 1 JJGF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4[C@@H](Br)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714159 NIWUBSPKINAVMT-PMMKXDQHSA-N 451.449 4.501 50 1 JJGF COc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1Cl 962704151 UMWICCMUMKVPHB-YJBOKZPZSA-N 452.231 4.588 50 1 JJGF CC(C)(C)[C@]1(/C(C#N)=C/c2ccccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237187 WVEQOGMEHBDHDK-STTCBKOCSA-N 456.502 4.590 50 1 JJGF C/C(CCC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccc(-n2cccc2)cc1 1772574513 SKTMXWAZRXLJQE-PCLIKHOPSA-N 453.340 4.764 50 1 JJGF COc1ccc2nc(C)cc(NC(=O)NNc3ccc(N(CCCl)CCCl)cc3)c2c1 49756871 CWOQDUHNYSQQGI-UHFFFAOYSA-N 462.381 4.984 50 1 JJGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3cccc(Cl)c3)ccc21 1857759260 RROFZSOCAJAQLB-HHHXNRCGSA-N 495.982 4.670 50 1 JJGF O=C1N2C=C(c3ccc(O)cc3)N[C@@H](Cc3ccccc3)C2=N[C@]1(Cc1ccc2ccccc2c1)OO 100033939 OMOBIXPIGAIKCC-FREGXXQWSA-N 491.547 4.728 50 1 JJGF in-vivo O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1 587538104 NLKUFDVFTZISGE-GHTZIAJQSA-N 456.248 4.552 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587679232 FRCRDAHNXZVRLI-USWIMTBHSA-N 475.196 4.602 50 1 JJGF COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NNCc1ccccc1 36389413 VKNFDELKMALDPI-RPLLCQBOSA-N 497.595 4.843 50 3 JJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cc(Br)ccc1O 84619728 GOANHEORXGMFQT-DHRITJCHSA-N 495.402 4.947 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 587372919 NWXIMMCRJXQVKA-RXBISOJRSA-N 460.917 4.596 50 1 JJGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496723 DYGVUVBACUDFKP-HYBUGGRVSA-N 457.357 4.618 50 1 JJGF COc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587717785 LQHWCUCIANFIBD-YYSFKGJASA-N 477.143 4.614 50 1 JJGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 963228283 RINSHRGGDIULKK-AOYPEHQESA-N 473.916 4.891 50 1 JJGF CC(C)(C)[Si](C)(C)OCc1cccc(N(Cc2cncnc2)S(=O)(=O)CC(F)(F)F)c1 195109457 FFZZDVFPNNGLMF-UHFFFAOYSA-N 475.609 4.897 50 1 JJGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(S(N)(=O)=O)cc1 587532857 PZAICUUAHJNHRB-SANMLTNESA-N 499.032 4.720 50 1 JJGF N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53313739 XRDHRMXXYJORMD-RPBOFIJWSA-N 499.575 4.729 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)ccc1Br)[C@@H](C2)C3=O 587426120 LJSHDMRVBBFTFE-UGSOOPFHSA-N 456.105 4.635 50 1 JJGF COc1cccc(OC)c1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673270 LVJGAILBFSLYBQ-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587686215 SWXUKQOORLFGJG-ZSEKCTLFSA-N 451.767 4.732 50 1 JJGF Cl[C@@H](Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1 71316078 VXPRLPJXOGZRAZ-QFIPXVFZSA-N 495.052 4.974 50 1 JJGF in-vitro c1cc(OCCN2CCOCC2)cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1 137563863 MYOSJEIHYVOELP-UHFFFAOYSA-N 469.622 4.882 50 1 JJGF CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C 238772608 YGBUJACBKXHYOB-RRTYVQQXSA-N 474.594 4.794 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587545939 TXGPOWRJQBXVBI-AQYHOGPUSA-N 463.917 4.786 50 1 JJGF COc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587715683 IJNJOJLBMGSJGV-LZVRBXCZSA-N 477.143 4.614 50 1 JJGF C[C@@H](Br)C(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874995 MDLYKQSYRHDOAE-CYBMUJFWSA-N 453.163 4.670 50 1 JJGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496727 DYGVUVBACUDFKP-YKSBVNFPSA-N 457.357 4.618 50 1 JJGF COc1ccc(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587540053 ZOTZSIFSDZGBLV-OFNKIYASSA-N 471.303 4.661 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587686976 YCUBTVILRHZNTK-YUNKPMOVSA-N 453.739 4.561 50 1 JJGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C(=C(C)C=CC=C(C)C=O)C(=O)C[C@H]32)[C@]1(C)C(=O)O 2356761048 DEDBNJZUCABJGJ-CIUDRVGZSA-N 456.579 4.832 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587559622 YASAADMHCBNCTP-SIKLNZKXSA-N 459.267 4.792 50 1 JJGF C[C@]12CC[C@H]([C@@]3(NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)C1=O)[C@@]2(C)CBr 962957573 NVAKKWHTZNVIPO-LLMJNHHCSA-N 486.372 4.952 50 1 JJGF O=C(NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1ccccc1O 1772638787 IFIGINOUTNOPLE-FYWRMAATSA-N 490.523 4.652 50 1 JJGF C=C(C=O)C[C@H]1C(=O)C=C2[C@@H](OC(=O)/C=C/C=C/C(C)=C/[C@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C 137115362 OSNZHRXZUAKEOD-QFWJLGNZSA-N 454.563 4.774 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587324419 YUGLWFBCSICLFN-ISKFKSNPSA-N 485.305 4.952 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725909 SUPFHNHGTDJLBK-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF Oc1nc(O)c(I)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1 587182001 KMSNMDMGHFEQJR-UHFFFAOYSA-N 480.156 4.693 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 587688695 NFDKIWXDDXPLRE-MNLWKRKZSA-N 461.766 4.854 50 1 JJGF O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NNC(=S)Nc1ccccc1 12971216 DYGUFDBATCHVTI-UHFFFAOYSA-N 459.600 4.854 50 1 JJGF CCCC(=O)Nc1cc(/C=C/C(=O)Nc2ccc(N(CCCl)CCCl)cc2)n(C)c1 27524166 UKJNAGJVGFSAJR-MDZDMXLPSA-N 451.398 4.700 50 1 JJGF COc1ccc(/C=N/NC(=O)c2cc(C(F)(F)F)nc3c2c(C)nn3-c2ccccc2)cc1 1772630542 CYMDXWBLLHECKJ-UVHMKAGCSA-N 453.424 4.520 50 1 JJGF C[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 254144445 KGHPPTLBPKJSIG-ZDRJDWQYSA-N 474.722 4.786 50 1 JJGF C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O 261171239 SZGQTKQSDGZCFY-TYOVSTLYSA-N 453.804 4.720 50 1 JJGF COc1ccc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc1OC 367884014 VQIHHEHOGCEHDD-KRWDZBQOSA-N 482.387 4.612 50 1 JJGF COc1ccc(OC)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587672193 DXTYITLEJDHWPD-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587674253 VKBMSGCOKZYVOZ-DYZYQPBXSA-N 458.125 4.669 50 1 JJGF CC1CCN(Cc2ccc3nc(NC(=O)NN=C(c4ccccn4)c4ccccn4)sc3c2)CC1 1857602329 ACMHTBZGSZSJCZ-UHFFFAOYSA-N 485.617 4.892 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169368271 NYJRVVZQFCMWJL-OBCUTFANSA-N 464.530 4.956 50 1 JJGF CN(C)CCC(=O)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 215609510 FCTOXBAOTRUFST-UHFFFAOYSA-N 466.413 4.505 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 587372001 JADGBICILWVMMW-RXBISOJRSA-N 460.917 4.596 50 1 JJGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C(C)C)cc1 16570114 OXMNWDAFLIEBLH-AVRWGWEMSA-N 465.981 4.786 50 1 JJGF C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325077 BYJJXZVVTAGNJZ-GGBSJPMNSA-N 467.924 4.615 50 1 JJGF CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1 29341541 BHQGYLBZJOENGC-UHFFFAOYSA-N 487.442 4.701 50 1 JJGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 100027715 RUKDFXROVXEJGM-VSRNGQBXSA-N 491.491 4.716 50 1 JJGF CN(C)C(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587370772 BCUOFOITNLHRLN-OFNKIYASSA-N 459.926 4.788 50 1 JJGF O=C1N2C=C(c3ccc(O)cc3)N[C@@H](Cc3ccccc3)C2=N[C@@]1(Cc1ccc2ccccc2c1)OO 103537782 OMOBIXPIGAIKCC-YZNIXAGQSA-N 491.547 4.728 50 1 JJGF in-vivo COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587413743 JKYIBXPJXCBZRP-PYFOHURJSA-N 452.142 4.884 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc([N+](=O)[O-])c4)c1C)[C@@H](C2)C3=O 587418281 TYEHPUPPEFHXGU-GBXCKJPGSA-N 452.894 4.893 50 1 JJGF C[C@]12C[C@H](c3ccc(C#CCNC(=O)CCl)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13557699 JYZUUAVWDRWVEO-LFXLQIHESA-N 478.032 4.709 50 1 JJGF CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 103210668 WQDDCCUIZYQFCX-HFEWCJDKSA-N 473.535 4.955 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(Cc4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O 587417479 MXLSNWAATJBKSC-FNZWTVRRSA-N 465.933 4.772 50 1 JJGF O=C1C=C(NCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 102957962 XBJNJYSWTIFHJR-UHFFFAOYSA-O 462.509 4.533 50 1 JJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3cccc(F)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169733826 DFCFMQCTNPNDEL-GJEUEOHZSA-N 456.352 4.963 50 1 JJGF O=C(NCCCCBr)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O 299860940 KAFCLAWKKMJLKI-UHFFFAOYSA-N 465.750 4.747 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)O2 587372553 MLRQUOBNMYPHJL-VWLOTQADSA-N 452.938 4.855 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 587678253 CCFWIPKAXHZSCR-OVWNDWIMSA-N 464.132 4.928 50 1 JJGF O=S(=O)(c1ccccc1)n1ccc([C@@]2(CCCl)c3c(F)cccc3C[C@H]3CCCN32)c1 963106825 NDKTVZQCZOEYRV-YKSBVNFPSA-N 458.986 4.757 50 1 JJGF COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl 15115482 OFHJKWNSOIQOPB-PXIQUCABSA-N 462.970 4.875 50 1 JJGF endogenous,in-man CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 26004409 ACOOMDBVWCJRIF-LBYRQTAISA-N 450.461 4.759 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587569652 RVHFPYTYZLDKCJ-KNQAVFIVSA-N 459.267 4.792 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688760 NXKUALQHXQYCJM-FVINQWEUSA-N 457.771 4.726 50 1 JJGF COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857547498 QATMYEQOERZLRT-UHFFFAOYSA-N 479.949 4.697 50 1 JJGF CC(=O)Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538951 SGHFANGIKKKZTN-OFNKIYASSA-N 468.303 4.603 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c[nH]c3ncccc23)N1 587672438 FVDIJLVFNDHMBI-YPMLDQLKSA-N 453.153 4.637 50 1 JJGF CC(=O)NC1=C(C#N)[C@@H](c2ccc(C)cc2)C([S@@](=O)c2ccc(C)cc2)=C(c2ccccn2)O1 1857759079 TXWOLJAPIJQENQ-ZWVRTZEQSA-N 469.566 4.860 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@H](Br)CC(=O)O)N1 587847578 LNGAOGKMDHGXBM-OGTWGDGJSA-N 477.193 4.666 50 1 JJGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(F)cc(CBr)c2)N1 962700257 QHQGXBXPWPWRPP-CVEARBPZSA-N 450.201 4.567 50 1 JJGF CC(=O)[C@H]1[C@H](OC(=O)CBr)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13519869 OSCUNNXAVGTHCW-DCCLSMNISA-N 451.401 4.640 50 1 JJGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 618007893 TYFGRNBJWJZSPH-SFHVURJKSA-N 496.098 4.511 50 1 JJGF CN(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539743 YATSDQCGFCLBGD-REWPJTCUSA-N 454.320 4.710 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 587673334 MBLAXMZWRLIFSB-QGHHPUGFSA-N 458.125 4.669 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686548 VQFWPMVMGXTQJG-WIUDPPPLSA-N 465.750 4.873 50 1 JJGF CC[C@H](NC(=O)CCl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885102 VWSLUFZZBAEDKZ-FQEVSTJZSA-N 451.781 4.510 50 1 JJGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962643976 SORFPMBYWFVCIK-NFBKMPQASA-N 475.850 4.855 50 1 JJGF Cc1[nH]nc2c1[C@](c1cc(-c3cncc(C(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772627660 FCLLNDOURSRWSZ-QHCPKHFHSA-N 483.450 4.526 50 1 JJGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@H]1O)C3=O 2356524195 UTXOFYRFSXYWKW-IZVQQRHISA-N 495.399 4.589 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)F)N1 587705385 MESFFFGPRPCFSJ-DYEAUMGKSA-N 483.923 4.996 50 1 JJGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)Nc2cccc(Cl)c2)c2ncccc2c1 1772586788 FWBXNFZDDLJXPB-OAHLLOKOSA-N 470.961 4.513 50 1 JJGF O=C(CCl)Nc1ccc(-n2nc(OC[C@@H]3CCCO3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857752542 DOZVLDPMUJZSRH-INIZCTEOSA-N 481.767 4.976 50 1 JJGF CCC(=O)O[C@]1(C(=O)SCCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 27195023 FFVBORODRIRJKD-ZQRDWWOXSA-N 481.054 4.659 50 1 JJGF CCOC(=O)[C@H](C)Oc1cccc(O[C@@H]2O[C@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)c1 103180546 CKPXDMSGORRMPP-MBHWVKMGSA-N 476.566 4.604 50 1 JJGF C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C\C=C\C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O 169362906 OJCKRNPLOZHAOU-ULPMVTNLSA-N 489.653 4.636 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(N3CCCC3=O)c1)CC2=O 587457246 WWSQJSGPXAOWSN-HSZRJFAPSA-N 458.352 4.727 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCO2 587538692 RGVZBAGWFCXQNX-REWPJTCUSA-N 453.288 4.579 50 1 JJGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541456 BLXKBFOTVAHSNU-IMWIBFENSA-N 459.926 4.731 50 1 JJGF CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587541472 BWPHNOVYMGSOHE-JYFHCDHNSA-N 463.917 4.787 50 1 JJGF O=CC1=C(Cl)[C@H]([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)CCC1 963449170 QKVKULHWGLENFS-ZHRMCQFGSA-N 462.933 4.853 50 1 JJGF CO[C@](C(=O)OCC=C(C)[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)OO1)(c1ccccc1)C(F)(F)F 2356511235 CNUUNKCYGCRKQX-WJNSRDFLSA-N 482.495 4.841 50 1 JJGF CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356805778 ZXDBLETYGYFMFF-RONBOSOKSA-N 497.415 4.743 50 1 JJGF CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](c2ccco2)C(C#N)=C(N)O1 587746027 LBJMIMAVEVOLEZ-BESGGGPDSA-N 458.331 4.712 50 1 JJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)CI)cc1)CC2=O 587472813 VMMMEQXMZGQDKI-NRFANRHFSA-N 479.314 4.599 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587682140 BJTCXMXRSKYNHT-BIBXISHDSA-N 452.755 4.582 50 1 JJGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CCCCl)c1ccc(F)cc1 963137475 FIFJIHSDIRMZPH-HRAATJIYSA-N 454.951 4.791 50 1 JJGF CCOC(=O)NN=C(C)[C@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356735958 VIKPJRPSXXRSGV-DJXDNVPMSA-N 458.599 4.750 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587361553 VOKJZRLTFWPWOP-VWNXMTODSA-N 474.937 4.650 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543558 KTVJUYSOOBBYFF-IWIQFXGASA-N 451.906 4.685 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587686840 XRVCNPLOIXHFNW-WIUDPPPLSA-N 499.771 4.916 50 1 JJGF COc1ccc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1Cl 962704149 UMWICCMUMKVPHB-QAPCUYQASA-N 452.231 4.588 50 1 JJGF Cc1ccc2c3c1N(CC31CC1)[C@]2(CBr)CCCN1C(=O)c2ccccc2C1=O 963728724 ILCBJFCVRXXTGI-DEOSSOPVSA-N 451.364 4.527 50 1 JJGF O=C1OC(=O)c2cc(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)ccc21 586908691 UANDNMIYLZEIKG-UHFFFAOYSA-N 469.350 4.951 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674221 UYXFERRTKAFPAU-WLRWDXFRSA-N 471.164 4.548 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 587684362 PIRDPFFGXRCRCD-APBUJDDRSA-N 467.132 4.604 50 1 JJGF O=C(Nc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1)c1cccc(B(O)O)c1 1772646181 QCZRZVZCULLSKO-UHFFFAOYSA-N 472.313 4.545 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537553 HNMFWNYROBHQTM-MXMTWJBOSA-N 469.287 4.761 50 1 JJGF N#CSc1cc(OC(F)(F)F)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587891982 VDRXJTDZEIWJIU-UHFFFAOYSA-N 474.291 4.758 50 1 JJGF COc1ccc([C@@]2(CCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1Br 962572766 QLIFAEOTMJIERG-ASSNKEHSSA-N 454.792 4.834 50 1 JJGF CS(=O)(=O)c1ccc([C@]2(CBr)NCCc3cc(-c4ccccc4)ccc32)c(F)c1 962671303 UHBMCZYKLGUVHO-HSZRJFAPSA-N 474.395 4.680 50 1 JJGF COc1ccc(C[C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963183061 IMLUMHYDQYTKNB-HNAYVOBHSA-N 492.719 4.799 50 1 JJGF C(CCCN1CCCC1)CCNCCSSCCNCCCCCCN1CCCC1 28218355 ZLWNYIZWBRWCDG-UHFFFAOYSA-N 458.826 4.859 50 1 JJGF COc1cc2c3c(c1)O[C@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@@]4(C)CBr)[C@@H](C2)C3=O 587412931 KLGFTEDWJRIKHB-PRZMUEAOSA-N 470.201 4.776 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NC(=O)CCl)c(C(=O)OCC)c1C)CC2=O 587493147 QWCFHFZPIMSWRU-HSZRJFAPSA-N 479.982 4.949 50 1 JJGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587672231 YGOHWUINRYMYLM-OACQNMCBSA-N 485.191 4.693 50 1 JJGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587674115 SWSUITRJSVXGOE-JEOXALJRSA-N 470.180 4.719 50 1 JJGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1c(F)ccc(Br)c1Cl)NCC2 962915105 FTOFCFARUPVBFI-QGZVFWFLSA-N 479.619 4.883 50 1 JJGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Br)[C@H]1c1ccccc1 254134191 VQOLLBMSCRRQPS-HOWVWPRWSA-N 460.368 4.652 50 1 JJGF Cn1nc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(I)c1C(=O)O 587179849 HNXULTJDOMKPNB-UHFFFAOYSA-N 494.183 4.924 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@H]1c1ccc(F)cc1 587325906 HNCLLAKRWDCDQP-DHLKQENFSA-N 468.912 4.589 50 1 JJGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587374467 YGCAZYVVKAWFEA-UKILVPOCSA-N 450.922 4.693 50 1 JJGF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCBr 587538036 MITCWZOVSJAIHH-NFBKMPQASA-N 471.303 4.877 50 1 JJGF O=C(O)C[C@H](Br)[C@@]1(c2cccs2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962718041 XMVQQZCHSLGLIN-ASUYLVSUSA-N 470.429 4.733 50 1 JJGF COc1ccc(C[C@@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963173969 ADHZZUOYLNYFDM-MJGOQNOKSA-N 492.719 4.799 50 1 JJGF N#Cc1cnn2c(Nc3ccc(F)c(C(F)(F)F)c3)cc(CN(CCCl)CCCl)nc12 1772619203 ICXMGLSOVXPHOA-UHFFFAOYSA-N 475.277 4.782 50 1 JJGF Cc1cc(Cl)cc2c(N3C(=O)c4ccccc4C3=O)c(CI)[nH]c12 587624113 CZLSLVSAHSLKQR-UHFFFAOYSA-N 450.663 4.865 50 1 JJGF CCC(=O)N1CCc2cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587687105 YULRKOMSZDLGPK-DMZKTXOQSA-N 465.794 4.904 50 1 JJGF CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)cc1 195501060 YGBZDELKCFINNB-ATIYNZHBSA-N 450.655 4.845 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 587322125 LLIGUXCPNKABCT-GGAORHGYSA-N 471.278 4.909 50 1 JJGF CCOC(=O)c1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537635 JIQUMKATSOZLDA-RDPSFJRHSA-N 483.314 4.821 50 1 JJGF CN1CCc2c(Br)cccc2[C@]12CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2Br 963279282 FSZPIRLKCFOSPH-DUXSXAKTSA-N 488.264 4.973 50 1 JJGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Br)C(C)(C)F)[nH]c3c2)cc1 587087639 SFGSCMCZNQJHQI-MRXNPFEDSA-N 456.337 4.556 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C[C@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O 587418141 SAHBLSMDLWWRKQ-NJVGLYJLSA-N 479.960 4.835 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnn(-c2ccccc2)c1 587538869 RXKZLWVAOXGMQL-QPPBQGQZSA-N 477.314 4.830 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587673010 JKVKZUPWUPXFBT-ZSEKCTLFSA-N 496.218 4.888 50 1 JJGF CC(C)C[C@H](CNC(=O)c1cccc2nc(CN3CCC[C@H](N)C3)cn12)c1ccc(CCl)cc1 2356705315 FLBMPJHUZLWSKH-PKTZIBPZSA-N 482.072 4.556 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=CCC[C@H](C)CC)CC[C@@H]2C(=O)O 2356789963 DXPNTMBJXVSKRN-OLXDQURMSA-N 456.579 4.998 50 1 JJGF CC[C@H](Br)[C@H]1CC=CC[C@@H]([C@H](C[C@@H](C=C=CBr)OC(C)=O)OC(C)=O)O1 166803365 FUPATMDWGLYFMG-ACLHWCFASA-N 494.220 4.581 50 1 JJGF Cc1cccc2n1cc(-c1ccc(COc3ccc(/C=N/NC(=O)c4ccc(N)cc4)cc3)cc1)[n+]2C 26834717 BYSVFPQOAMTCEQ-KCSSXMTESA-O 490.587 4.664 50 1 JJGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@](=O)c2ccccc2)=N1 34802470 YWORQRVPTVGAJO-TZSKPUIQSA-N 490.503 4.627 50 1 JJGF COc1ccc([C@H](O)CNC(=O)/C=C/c2ccccc2O[Si](C)(C)C(C)(C)C)cc1OC 1857635637 ZLCWKBQRHVAYDS-UPTIQUDWSA-N 457.643 4.951 50 1 JJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cc(Br)ccc1O 84619726 GOANHEORXGMFQT-MXAYSNPKSA-N 495.402 4.947 50 1 JJGF COc1cccc(C(=O)OCCCCC#Cc2ccc(C(=O)OC3CSSC3)cc2)c1 299869546 UYGJJCFYLNPFLR-UHFFFAOYSA-N 456.585 4.994 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)Br)N1 587671481 SEFSZDCMNSUBDT-XLKFXECMSA-N 458.007 4.886 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587685544 UGZVGJOHVVRUEN-LCCAYYTGSA-N 492.227 4.722 50 1 JJGF Cc1ccc([C@@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1C 962648657 WIXNHQYLIYPFSV-ZEQRLZLVSA-N 453.380 4.589 50 1 JJGF Nc1cc2c(cc1[C@]1(CCl)NCCc3c1[nH]c1ccc(OCc4ccccc4)cc31)OCCO2 963817790 PXVHBJJZGCDHOY-MHZLTWQESA-N 475.976 4.728 50 1 JJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 73165144 GDWBHXCOPVLOGD-VULFUBBASA-N 480.440 4.963 50 1 JJGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587328744 CFTIJMOZONLXHI-AZGAKELHSA-N 485.914 4.842 50 1 JJGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537280 CHVSEJUCGWAGTP-ZCVJKFOLSA-N 483.314 4.796 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231889 RVAJKIFAUWCMNY-DKIOLRDMSA-N 490.195 4.623 50 1 JJGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963231891 RVAJKIFAUWCMNY-VTOVKPRRSA-N 490.195 4.623 50 1 JJGF C[C@](Cl)(CBr)[C@H](O)CCC(=CBr)[C@H](Cl)CBr 2356645654 YSWYAMBFCRENQC-BBBLOLIVSA-N 461.847 4.801 50 1 JJGF CC1=C(CCCCCCCCCCCCCCC(C(=O)O)=C(CC(=O)O)C(=O)O)C(=O)OC1=O 2356810084 AWDJSSOFZHXHFV-UHFFFAOYSA-N 480.554 4.788 50 1 JJGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)s1 13584627 WCQXEZWPZDDRRE-CPNJWEJPSA-N 478.574 4.729 50 1 JJGF CN1C(=O)C[C@@H]2CN[C@@](C)(c3cccc(N4Cc5ccccc5C4=NC(=O)CCl)c3)c3cccc1c32 963026709 JZWPGTVWCYMTDY-XBBWARJSSA-N 499.014 4.536 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@H](C)C[C@H](C)CC)CC[C@@H]2C(=O)O 2356425344 KFNRVRQZGWBRJR-JCTRFLQISA-N 456.579 4.854 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1ccc(Br)cc1F 963054384 IKCMBYJEMUTKLC-FQEVSTJZSA-N 480.175 4.929 50 1 JJGF COc1ccc(-c2cc(C(=O)N/N=C\c3ccc(O)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 28641853 IEVPSSAZNJTJDM-RHANQZHGSA-N 477.524 4.874 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 587372378 KUVRAHUCFBYDBR-PTFIGZPYSA-N 460.917 4.596 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 587673928 RQCRSHRJIZFGNX-WYRIXSBYSA-N 470.180 4.719 50 1 JJGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 82156556 QHVWJAOHTITUIG-UHFFFAOYSA-N 453.281 4.545 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 587671554 TYDDVNHAZQQXHN-XCJKDKRRSA-N 471.164 4.878 50 1 JJGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687781 HXWAQVBXOGRYSL-MCMMXHMISA-N 485.825 4.976 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587848437 OMCUSNAKDWUKKP-ADWYPQAOSA-N 459.812 4.691 50 1 JJGF C/C(=N\NC(=O)c1cc(Br)ccc1Br)c1cc(Br)ccc1O 1857564718 PYTZXKCLQALMGA-UFWORHAWSA-N 490.977 4.834 50 1 JJGF C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C\C=C/C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O 169362904 OJCKRNPLOZHAOU-PSQKLDKISA-N 489.653 4.636 50 1 JJGF COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587688979 OMSVJMQMVACFTC-DMZKTXOQSA-N 485.825 4.976 50 1 JJGF CO/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CBr 587702402 DSNSINCUXPRNSP-HXEBIFIFSA-N 461.091 4.805 50 1 JJGF CS(=O)(=O)c1ccc([C@@]2(CBr)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1 963193772 LPTKKWOWKOLYEA-DQEYMECFSA-N 495.442 4.852 50 1 JJGF N#CC1(c2ccc(S(F)(F)(F)(F)F)cc2)CCN(c2ccc(-c3nc(CO)no3)nn2)CC1 1772642683 HCRJDLMZNQTQKC-UHFFFAOYSA-N 488.442 4.738 50 1 JJGF Cc1ccc(NC(=O)CCC/C(CC(=O)c2ccc(Br)cc2)=N/NC(=O)CC#N)cc1 5891436 UFNKZEKYGDRGSG-OOAXWGSJSA-N 483.366 4.525 50 1 JJGF COc1ccc([C@@H](CCC(=O)O)O[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 58621910 ARXRTBLAHCPUGY-NGYBGGCHSA-N 476.566 4.826 50 1 JJGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 82053216 XBJYMLKGSKANHQ-INIZCTEOSA-N 472.347 4.761 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 587372915 NWXIMMCRJXQVKA-PTFIGZPYSA-N 460.917 4.596 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587674252 VKBMSGCOKZYVOZ-BTDLBPIBSA-N 458.125 4.669 50 1 JJGF COc1ccc(F)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587728494 FCHIOVPRSJYCEF-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF CCCOc1c(C(=O)N/N=C\c2ccccc2)sc(C(=O)N/N=C/c2ccccc2)c1OCCC 45284510 GQUACGNRTYPKFO-HJVIKEODSA-N 492.601 4.854 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587685309 PNGYKCGOADXQDE-WSVYEEACSA-N 451.767 4.835 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587846871 JBJURPXRNNYMII-ZHYXMNDGSA-N 459.812 4.691 50 1 JJGF Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)c1 1857563228 MXMGYHCULWEFBE-UHFFFAOYSA-N 463.950 4.997 50 1 JJGF CC1(C)C[C@](O)(C[C@@H]2CC[C@]34[C@@H](O)O[C@](C)(CC[C@H]3Br)[C@H]24)CC[C@@H]1Br 2356416504 WDJJPAMUJVXVLI-KMQINFDFSA-N 480.281 4.758 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N3CCCC3=O)cc1)CC2=O 587456296 MOYLYQLHFIFOKA-HSZRJFAPSA-N 458.352 4.727 50 1 JJGF CCOC(=O)/C(C#N)=C(/C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884528 MCDIUMYPRWTZIE-PGMHBOJBSA-N 455.341 4.564 50 1 JJGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642025 QUTCDKUUVQDOIZ-HIIUDZQISA-N 478.692 4.865 50 1 JJGF C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C/C=C\C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O 169362905 OJCKRNPLOZHAOU-ZLKFBJFOSA-N 489.653 4.636 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587496549 DWHNTASTBQWFHA-DEOSSOPVSA-N 459.926 4.701 50 1 JJGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)NCC3 963058207 QKSDMZHYMSKUKA-HXUWFJFHSA-N 467.285 4.926 50 1 JJGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)c(F)c2)c(OC)c1OC 1857770850 ASWXQKNXINBVBQ-XODNFHPESA-N 479.468 4.627 50 1 JJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)s1 95809373 CXKOPTABHSZDDA-FYJGNVAPSA-N 452.374 4.646 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr 587376840 KPRVGBJIXPNJTK-QUVDLZNZSA-N 457.206 4.876 50 1 JJGF CCOC(=O)[C@@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894431 JMALBBBALGSNGH-FQEVSTJZSA-N 456.728 4.686 50 1 JJGF COc1ccc(/C=N\NC(=O)c2cc(Cl)cc(C)c2NC(=O)c2cccnc2Cl)c(OC)c1 103216266 XBHWGHQMFBVEJW-PPDIBHTLSA-N 487.343 4.730 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccccc3)N(CCCl)CCCl)cc(O)c21 473082729 KZMNNKAPVDVNMC-QFIPXVFZSA-N 470.352 4.742 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)c(F)c1)[C@@H](C2)C3=O 587427736 UMQPVUSVFGONLK-KPZWWZAWSA-N 456.105 4.635 50 1 JJGF Cc1cc(N2CC[C@@H](Br)C2=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587891202 SFRPKTUNSOUKJQ-LJQANCHMSA-N 494.216 4.512 50 1 JJGF N#CSC[C@]1(c2cccc3ccccc23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962666150 MMHRYYJVTGZGRZ-KAYWLYCHSA-N 453.567 4.944 50 1 JJGF O=C(O)c1ccccc1[C@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963294 WSMHCSWBWBUUCY-NRFANRHFSA-N 484.312 4.694 50 1 JJGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Br)cc1Br 1857741876 ZKFKJZSDDYRQKC-KPSZGOFPSA-N 466.944 4.988 50 1 JJGF COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)OCCBr 1633670 QZMGFOFUOZRZCK-UHFFFAOYSA-N 490.350 4.921 50 1 JJGF CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)NCc2ccccc2)N=C(C)/C1=C(/O)OC 103542147 CIQGJIXRQMBQCJ-PNNQIPOWSA-N 477.586 4.844 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl 15115480 OFHJKWNSOIQOPB-OOXKJCCNSA-N 462.970 4.875 50 1 JJGF endogenous,in-man CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nc(C#N)ncc1Br 58592693 ZXQDZTLTLDNMFE-UHFFFAOYSA-N 476.806 4.770 50 1 JJGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587372598 JWLGKNJKBZODRV-GOSISDBHSA-N 455.146 4.604 50 1 JJGF O=C1C[C@](CBr)(c2cccc(N3CCCC3=O)c2)Oc2c1ccc1c2CCCC1 587500880 VIYBGRFTOMOZMI-DEOSSOPVSA-N 454.364 4.948 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=CCC[C@@H](C)CC)CC[C@@H]2C(=O)OC 2356805345 VGRLZLRYWXXGNZ-FHRMVUEFSA-N 456.579 4.697 50 1 JJGF C/C(=N/NC(=O)c1ccncc1)c1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 28568901 GBEGYLJHCMIPLF-WGARJPEWSA-N 468.380 4.807 50 1 JJGF COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587571185 ZOLOGLLQZUTUAL-PGRDOPGGSA-N 459.267 4.792 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587725512 QRDHOPZRBRRUBS-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF CCc1ccc([C@]2([C@H](C)Cl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963156096 ZVWKUCXAICSDRX-OIAISFKWSA-N 450.988 4.823 50 1 JJGF CO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CBr 587700492 BLDAONJKVPCJEB-ACVVCLGBSA-N 461.091 4.805 50 1 JJGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@](O)(C#CCCCI)[C@@]3(C)CC[C@H]12 26004403 ZENXUIUPBLAJTM-LMWRQSBWSA-N 497.461 4.800 50 1 JJGF COc1ccc(C[C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963173965 ADHZZUOYLNYFDM-HKUYNNGSSA-N 492.719 4.799 50 1 JJGF O=C(O)c1ccc(NC(=S)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)cc1 27628172 KNGLMARWNVUHKE-UHFFFAOYSA-N 497.754 4.727 50 1 JJGF COc1cc(C(=O)N/N=C/C2=C(Cl)c3cc(C)c(C)cc3CCC2)c([N+](=O)[O-])cc1OC 299827905 QFMOSWJSXSVWAX-BRJLIKDPSA-N 457.914 4.931 50 1 JJGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587324371 QLVDLRQCBOEPFD-YCRNBWNJSA-N 492.341 4.643 50 1 JJGF CC(=O)N1CCc2sc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C1 587857713 MRSDHZLIICWZFP-GIPWTMENSA-N 471.823 4.571 50 1 JJGF Cc1ccc(-c2nnc(SCC(=O)NN/C=C3\C=Nc4ccccc43)n2-c2ccccc2)cc1 33927076 CMNFJQROZQCQBQ-CAPFRKAQSA-N 466.570 4.713 50 3 JJGF CN1C(=O)C[C@H]2CN[C@](C)(c3cccc(N4Cc5ccccc5C4=NC(=O)CCl)c3)c3cccc1c32 963025406 JZWPGTVWCYMTDY-ADXZGYQBSA-N 499.014 4.536 50 1 JJGF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](Br)C2 587545241 QFJGFQLMDYFEQY-JTAQYXEDSA-N 453.288 4.578 50 1 JJGF N#CC1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587546091 NSAUSCMOHBWLIP-NFBKMPQASA-N 462.255 4.812 50 1 JJGF CCOC(=O)c1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672623 GQPSQWRNAQUQMK-YUNKPMOVSA-N 485.191 4.938 50 1 JJGF CC(=O)NCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685272 PCEVYQQQNUKVFK-PEBXRYMYSA-N 467.810 4.674 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687328 FZIPBMTZILMCLC-OKHZJLECSA-N 467.810 4.672 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 587729585 HLEDYECALLGQGZ-NCDWJDPGSA-N 489.154 4.743 50 1 JJGF O=[N+]([O-])c1ccccc1[C@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950981 FQFVCQKCMQJYQL-FQEVSTJZSA-N 485.300 4.904 50 1 JJGF C=C1CC[C@H](Br)[C@]2(C)[C@H](OC(C)=O)C[C@@H]3[C@H]([C@H](C(C)C)[C@H](OC(C)=O)C[C@]3(C)O)[C@H]12 2356422433 CJMZSYYBYRJMHN-CBYWTAICSA-N 485.459 4.649 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587424259 YNGCYEDJAPJXHM-QYXIYQDXSA-N 457.954 4.761 50 1 JJGF N#CC1=COc2cc(Br)ccc2[C@@]12N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963190802 NWOIWLKCGIRSAJ-LIRRHRJNSA-N 499.670 4.764 50 1 JJGF Cc1ccc(/C=N/NC(=O)N2CCc3ncnc(Nc4ccc(F)c(Cl)c4)c3C2)cc1C 1857757079 ARLPELWDBPQRBJ-IPBVOBEMSA-N 452.921 4.731 50 1 JJGF CCCCC(Br)(Br)[C@H](OC(C)=O)C(Br)Br 85922005 NGPLANKMTSQAPB-SSDOTTSWSA-N 473.825 4.710 50 1 JJGF C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C/C1)CO4)C3=O 238783922 VCCIXRCEOVYCCA-FNTSHMSVSA-N 463.357 4.895 50 1 JJGF O=C1C[C@@](CBr)(c2cccc(N3CCCC3=O)c2)Oc2c1ccc1c2CCCC1 587500884 VIYBGRFTOMOZMI-XMMPIXPASA-N 454.364 4.948 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1 587538107 NLKUFDVFTZISGE-WIYYLYMNSA-N 456.248 4.552 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 587672390 FSOCOJGBROGFBN-WLRWDXFRSA-N 471.164 4.532 50 1 JJGF CC1=NN(c2nc(N)nc(/C(C#N)=C/c3cccn3-c3cc(Cl)cc(Cl)c3)n2)C(C)(C)C1 5582851 GALVMMJUMIYSMH-VGOFMYFVSA-N 467.364 4.980 50 1 JJGF CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1 40952223 FVJUELRQTOWYRY-ZVBGSRNCSA-N 470.161 4.684 50 1 JJGF in-vivo C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587736393 VVBABSSHGUJHTK-WVDJIFEKSA-N 455.730 4.629 50 1 JJGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](Br)[C@@]2(O)C(C)=O)C1 2138546 GEVAMMLEIGNEOT-JWPJNBOHSA-N 455.433 4.654 50 1 JJGF biogenic CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)cc1 195501058 YGBZDELKCFINNB-BKMJKUGQSA-N 450.655 4.845 50 1 JJGF COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587571186 ZOLOGLLQZUTUAL-XMSQKQJNSA-N 459.267 4.792 50 1 JJGF COC(=O)c1cccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587674351 WIGLMNCRWICDGL-JEOXALJRSA-N 471.164 4.548 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687096 FJVZZTAABXSCKV-CFMSYZGJSA-N 457.771 4.726 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 587721205 PEVYVUXRDQARLT-CQLKUDPESA-N 465.107 4.745 50 1 JJGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642023 QUTCDKUUVQDOIZ-FEMPBKKVSA-N 478.692 4.865 50 1 JJGF COc1cc2c(cc1OC)[C@](CCl)(C(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775515 JFOAOCBFCYLUOI-VWLOTQADSA-N 454.954 4.543 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](C=C(C)CC=CC(C)(C)OO)O3)O[C@@H]2C=C1C 2356746896 YGBUJACBKXHYOB-CMSSPHMHSA-N 474.594 4.794 50 1 JJGF COc1cc(OCCN(C)C)c2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 5582598 UHCMXAGBHQCPHV-QGZVFWFLSA-N 493.007 4.835 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCO3)N1 587674698 ZNLJDPBKHNXRBT-WYRIXSBYSA-N 455.165 4.696 50 1 JJGF C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C 118932789 VTIRLZJHXPPVJA-HZMVJJPJSA-N 477.041 4.503 50 1 JJGF Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCBr)c2cccc(Br)c21 40764184 YWCFWPCJOHWJGI-XQNSMLJCSA-N 477.156 4.896 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 587372380 KUVRAHUCFBYDBR-RXBISOJRSA-N 460.917 4.596 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685462 QVATVFPDIRYVDU-SQHYZVFZSA-N 453.783 4.802 50 1 JJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(Cl)nn1 963199753 YSHLRBNVPUVPEI-UGKGYDQZSA-N 453.771 4.891 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587679771 GTEWUUQSXPXHEO-ULMSCDGUSA-N 455.165 4.694 50 1 JJGF COc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587715673 IJNJOJLBMGSJGV-DYBLOJMWSA-N 477.143 4.614 50 1 JJGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCl)(Cc2cccc(Br)c2)N1 962632569 JAABMZXJPWOOHG-FUHWJXTLSA-N 478.692 4.623 50 1 JJGF Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1 825217 VUADXVCIVAOSTN-UHFFFAOYSA-N 450.538 4.918 50 3 JJGF CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 118922678 NLSUODIKTXXGJU-NBYFQSTRSA-N 453.406 4.867 50 1 JJGF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c12 587168900 RBZBPPFJDUYPNE-UHFFFAOYSA-N 469.524 4.707 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)CC2=O 587466263 KAFSSKZPGCAZQV-LMQQTYEVSA-N 484.955 4.694 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 587674328 WCGWIDARMFOALA-BTDLBPIBSA-N 458.125 4.669 50 1 JJGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCCI 26005905 KIPNYWJLWBWXIJ-LMWRQSBWSA-N 495.445 4.576 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 147807483 GLUHHRMRNFEJHG-NCUGVJPNSA-N 476.573 4.692 50 1 JJGF Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587537169 BLEFBHSURJTUQB-UGKGYDQZSA-N 470.275 4.861 50 1 JJGF COc1cccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587724628 KNPMKPYGLDLNAA-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 299847492 KUXBMONJIHWJET-FPCALVHFSA-N 484.600 4.874 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C[C@@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O 587418142 SAHBLSMDLWWRKQ-NUANOYTQSA-N 479.960 4.835 50 1 JJGF C[C@@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498523 HWGGTEKJFRDPLQ-QKFKETGDSA-N 459.336 4.673 50 1 JJGF COc1c(Br)cc(Br)cc1C(=O)N/N=C(\C)c1cc2ccccc2[nH]1 95560622 SBFXABVEJCRDLI-LSHDLFTRSA-N 465.145 4.856 50 1 JJGF N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370513 XQXNSIHQSHYMGX-FYYLOGMGSA-N 450.447 4.908 50 1 JJGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587373230 HQYOSCLYNINOLU-ISKFKSNPSA-N 473.953 4.765 50 1 JJGF CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587376696 PWELGRPTDVVNMI-GGAORHGYSA-N 459.926 4.722 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587687827 IORJGYALNQTDKU-VJBOLBCHSA-N 465.794 4.902 50 1 JJGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CCCCl)c1ccc(F)cc1 963137484 FIFJIHSDIRMZPH-KKSFZXQISA-N 454.951 4.791 50 1 JJGF CC1(C)C[C@@](O)(C[C@@H]2CC[C@@]34C(=O)O[C@](C)(CC[C@@H]3Br)[C@@H]24)CC[C@@H]1Br 238760815 JHJKMBYLQWELLH-LYPNIUDPSA-N 478.265 4.967 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587673714 PSWYGQLRMNPSEK-MLCYQJTMSA-N 488.151 4.678 50 1 JJGF CN1CCC(N(C)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)CC1 102990443 NWJFYAIOIRSLDF-KDURUIRLSA-N 473.683 4.944 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2C([C@H](C)Br)([C@H](C)Br)N1 587669182 AYYPFQUVIQIDEH-CIUDSAMLSA-N 458.007 4.885 50 1 JJGF CO/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)CBr 587700493 BLDAONJKVPCJEB-HXEBIFIFSA-N 461.091 4.805 50 1 JJGF c1cc([C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1 621478295 MUYPWUMRLNHIOC-QBGHJKBRSA-N 469.622 4.882 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=CCC[C@H](C)CC)CC[C@H]2C(=O)O 2356789964 DXPNTMBJXVSKRN-WVGUKCBDSA-N 456.579 4.998 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2 587372388 KWNQKXGRIHWOJZ-LADGPHEKSA-N 465.893 4.592 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587686209 SWXUKQOORLFGJG-LRTDBIEQSA-N 451.767 4.732 50 1 JJGF CN1CCc2c(Br)cccc2[C@]12CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2Br 963279283 FSZPIRLKCFOSPH-ROOHIHILSA-N 488.264 4.973 50 1 JJGF O=C(CBr)N(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)sc1Cl 53299099 KPXMJEJTYNUFHJ-UHFFFAOYSA-N 463.589 4.825 50 1 JJGF C=C(CC[C@@H]1OC1(C)C)[C@H](Br)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@@H]3O2)O1 2356537122 IQWIQURCMLANFO-CDOJPGFRSA-N 493.438 4.548 50 1 JJGF CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 34800073 ZLJXNOJTRKIARN-UHFFFAOYSA-N 463.723 4.914 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587412828 CNZAMETWJUIVIJ-YUNKPMOVSA-N 482.714 4.612 50 1 JJGF Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 15989487 ZIHLWYLAJLXAPR-CFRMEGHHSA-N 451.939 4.732 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587846869 JBJURPXRNNYMII-XCJKDKRRSA-N 459.812 4.691 50 1 JJGF COc1cc(/C=C(\C#N)C(=O)Nc2nnc(SC)s2)ccc1OCCOc1c(C)cccc1C 13584633 WIHPSBMCRONWBI-LDADJPATSA-N 496.614 4.889 50 1 JJGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(Cl)cc1 103950902 GNTIKPZTYBAZLW-GOSISDBHSA-N 489.822 4.977 50 1 JJGF O=S(=O)(NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Cl)nc1 586941654 AIRUUVINLRBVDU-UHFFFAOYSA-N 462.853 4.790 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 587496076 HNFMVBNMSBHAOL-XMSQKQJNSA-N 450.373 4.674 50 1 JJGF CN(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539741 YATSDQCGFCLBGD-OFNKIYASSA-N 454.320 4.710 50 1 JJGF COc1cccc([C@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1F 962703591 NKAYLMVYFLHPKV-SZNDQCEHSA-N 454.380 4.976 50 1 JJGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(Oc4ncccn4)cc3)(C(F)(F)F)C2)cc1 1772576253 APTSQMGPJZIEKP-QHCPKHFHSA-N 450.420 4.832 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546254 VIRCEQCUGRVHDK-JTAQYXEDSA-N 453.288 4.578 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587674251 VKBMSGCOKZYVOZ-BMLIUANNSA-N 458.125 4.669 50 1 JJGF C[C@@H]1CC2=C([C@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@@]2(C1)c1ccc(F)cc1C[C@H]1CCCN12 963093885 BFJGEJOAGPJHDB-RTCFIGMQSA-N 485.559 4.962 50 1 JJGF O=S(=O)(c1ccccc1)n1ccc([C@]2(CCCl)c3c(F)cccc3C[C@H]3CCCN32)c1 963106819 NDKTVZQCZOEYRV-HYBUGGRVSA-N 458.986 4.757 50 1 JJGF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/CBr)[nH]c2c1 586974649 YBWVKWFGPRSZRO-GORDUTHDSA-N 460.275 4.791 50 1 JJGF O=Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587319228 AUXVJLCOSUNQSJ-JTHBVZDNSA-N 471.278 4.699 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3C)CC2=O 587456129 KZVSDTWGKTUDSL-QHCPKHFHSA-N 458.352 4.509 50 1 JJGF COc1cccc(OC)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538517 PIYLISSKZZRNRT-NZQKXSOJSA-N 471.303 4.661 50 1 JJGF CC(C)(CCl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)NCCc2nc3ccccn3c21 962986277 RXCFNDNWOURAMA-MHZLTWQESA-N 458.993 4.975 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)/C=C/c3cc4ccccc4[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857565826 QFJAYAJHLBSZQK-JFNHJOFASA-N 453.535 4.932 50 1 JJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587672227 YGOHWUINRYMYLM-CCMJGWDWSA-N 485.191 4.693 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 587679331 LSUDJBVCGDYAIF-GIGQVBGESA-N 467.132 4.604 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587684642 LHDLZNCUKKHETI-WSVYEEACSA-N 499.771 4.916 50 1 JJGF Cc1[nH]nc2c1[C@@](c1cc(-c3cncc(C(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772627659 FCLLNDOURSRWSZ-HSZRJFAPSA-N 483.450 4.526 50 1 JJGF COc1cc2c(cc1OC)[C@H](C(CBr)CBr)N(C1CCCC1)CC2 5838925 REJPYWXSBFPPSA-IBGZPJMESA-N 461.238 4.952 50 1 JJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 587458451 BYQPUFYKBRBTIN-HHHXNRCGSA-N 475.928 4.975 50 1 JJGF O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569713 IXTZAHRZSPPWPG-LEDOBFOHSA-N 487.277 4.627 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587679775 GTEWUUQSXPXHEO-WMRHFDQTSA-N 455.165 4.694 50 1 JJGF COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689849 XDDSZPRAGHFKPX-XUSGNXJCSA-N 471.798 4.586 50 1 JJGF COc1ccc(F)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734758 VNJOFMQVUMVTFD-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672229 YGOHWUINRYMYLM-FOPRYUNUSA-N 485.191 4.693 50 1 JJGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4nc(-c5cccc(F)c5)[nH]c4cc32)cc(OC)c1OC 1857772749 INLHGNBUZJFBEH-HSZRJFAPSA-N 472.476 4.613 50 1 JJGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)CCl)cc41)[C@@H](C2)C3=O 587422753 RTIYIQLEYMZBNG-QYBDOPJKSA-N 494.330 4.762 50 1 JJGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCBr)c(C)c2c1 587619386 SAWGYUWQSINPJZ-UHFFFAOYSA-N 482.356 4.521 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587686974 YCUBTVILRHZNTK-MPBGBICISA-N 453.739 4.561 50 1 JJGF CC1(C)C[C@](O)(C[C@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@H]3Br)[C@@H]24)CC[C@H]1Br 138241628 JHJKMBYLQWELLH-OKFNGGDSSA-N 478.265 4.967 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccccc3)N(CCCl)CCCl)cc(O)c21 473082722 KZMNNKAPVDVNMC-JOCHJYFZSA-N 470.352 4.742 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N(C)C)cc2)N1 587674445 WQQWCTPYXULTCX-BLVKFPJESA-N 456.197 4.827 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 587729588 HLEDYECALLGQGZ-RVSFGVKLSA-N 489.154 4.743 50 1 JJGF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1cccs1 653697825 NQNQPPABJBRYRM-UHFFFAOYSA-N 455.923 4.642 50 1 JJGF O=S(=O)(c1ccccc1)n1ccc([C@@]2(CCCl)c3c(F)cccc3C[C@@H]3CCCN32)c1 963106821 NDKTVZQCZOEYRV-RDPSFJRHSA-N 458.986 4.757 50 1 JJGF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccccc4Cl)cc32)c(C)c1CCC(=O)O 40891579 VNCDLAUTSDPKSF-PDGQHHTCSA-N 478.936 4.552 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(Br)nc1CCl 587897636 MYVQCBPLBNTPTF-UHFFFAOYSA-N 452.588 4.662 50 1 JJGF COC(=O)[C@@]1(C)[C@H]2CC[C@]3(C)C(=C(C)C=CC=C(C)C=O)C(=O)C[C@H]3[C@@]2(C)CC[C@H]1OC(C)=O 2356733503 AWDPTRZXHHZHKD-WQAPDNTRSA-N 470.606 4.921 50 1 JJGF CN(C)C(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587370773 BCUOFOITNLHRLN-REWPJTCUSA-N 459.926 4.788 50 1 JJGF CCCc1c(O)ccc2c1O[C@](/C(C#N)=C\N(C)C)(c1ccccc1Br)CC2=O 587455701 FGPOPMHXTMPLPI-HVMBHNBBSA-N 455.352 4.937 50 1 JJGF CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544893 PMBQKISBXKHBTR-ZEQKJWHPSA-N 465.933 4.557 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587685468 TUVZZYMKJDJZFY-GJPSWQHZSA-N 455.165 4.694 50 1 JJGF COc1ccc2c(c1OC)[C@](CBr)(Cc1ccccc1)N(C(=O)c1ccccc1N)CC2 963149407 UUEPKUPSHIQDDK-AREMUKBSSA-N 495.417 4.817 50 1 JJGF O=CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 587352232 KMTMAQPHYDPYRA-BDYUSTAISA-N 458.441 4.800 50 1 JJGF COc1cc2c3c(c1)O[C@@](C)(c1sc4nc(C)cc(C)c4c1NC(=O)CCl)[C@@H](C2)C3=O 587451134 ILYCHVIBOQGJKY-LFVRLGFBSA-N 456.951 4.762 50 1 JJGF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](Br)C2 587545261 QFJGFQLMDYFEQY-QTEQDKRBSA-N 453.288 4.578 50 1 JJGF COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587724630 KNPMKPYGLDLNAA-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963231892 RVAJKIFAUWCMNY-VYAXVDJTSA-N 490.195 4.623 50 1 JJGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC=CC(C)=C[C@H](C)CC)CC[C@H](C(=O)O)[C@@]21C 2356618365 OSNZHRXZUAKEOD-PBFZHBOWSA-N 454.563 4.774 50 1 JJGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587324375 QLVDLRQCBOEPFD-YYDVJCTNSA-N 492.341 4.643 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672658 GWBYNBBEYQTXTG-DYZYQPBXSA-N 458.125 4.669 50 1 JJGF COC[C@H](C)Oc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751824 OSVOPJQADIRJMJ-LBPRGKRZSA-N 469.756 4.832 50 1 JJGF N#CC(CCSC(=S)N1CCN(C(=O)CCCl)CC1)(c1ccccc1)c1ccccc1 40565908 STDTWSRWJFOAPC-UHFFFAOYSA-N 472.079 4.678 50 1 JJGF CC(C)[C@H](I)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F 253710297 WBGGDMQSCCCVLP-NVXWUHKLSA-N 462.253 4.577 50 1 JJGF COc1cccc(OC)c1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673267 LVJGAILBFSLYBQ-JEOXALJRSA-N 473.180 4.778 50 1 JJGF COC(=O)c1cccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587674352 WIGLMNCRWICDGL-NSPYISDASA-N 471.164 4.548 50 1 JJGF C=C(/C=C/C=C(\CO)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 5810894 PFWNRJSLKAVWGD-SLXCMVLSSA-N 486.693 4.970 50 1 JJGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587672331 ZVTRMJRGYBRWSJ-UOXRKKOCSA-N 485.191 4.913 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685150 NWJQJOJMHWRVOU-XUSGNXJCSA-N 451.767 4.514 50 1 JJGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2cccc(F)c2Cl)N1 962968475 CMEFUAJEYGYFTE-SJCJKPOMSA-N 469.084 4.648 50 1 JJGF CS(=O)(=O)c1ccc([C@]2(CBr)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1 963193785 LPTKKWOWKOLYEA-LOSJGSFVSA-N 495.442 4.852 50 1 JJGF C[C@@H](CC=CC(C)(C)OO)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356531042 YDCMTTMWZFUDMR-ZJSXQUFOSA-N 450.660 4.943 50 1 JJGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586971249 PEVLWPDDVCYYQJ-INIZCTEOSA-N 472.792 4.878 50 1 JJGF COc1cc2c3c(c1)O[C@H](c1coc4c(CCl)cc(Br)cc4c1=O)[C@@H](C2)C3=O 587417170 JOTADXRQNIVSAD-ZSEKCTLFSA-N 461.695 4.792 50 1 JJGF CN1CCc2c(Br)cccc2[C@]12CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2Br 963279285 FSZPIRLKCFOSPH-ZLXGRDSLSA-N 488.264 4.973 50 1 JJGF O=C(Nc1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1)c1cccc(B(O)O)c1 1772653792 ZJXSXNGXZDAQBE-UHFFFAOYSA-N 472.313 4.545 50 1 JJGF COc1ccc2oc(C(=O)Nc3ccc(/C=N/NC(=O)c4ccc(O)c(Cl)c4)c(OC)c3)cc2c1 13492726 RKLATBSQNCJINX-UVHMKAGCSA-N 493.903 4.825 50 1 JJGF Cc1cc(Br)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)C 103208667 RUVWLQIFVXQZNE-UHFFFAOYSA-N 452.780 4.830 50 1 JJGF Cc1cc(/C=C(/C#N)c2nc3nc(C#N)c(C#N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058431 YWTUKDBFMKLPCA-AUWJEWJLSA-N 459.300 4.875 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687820 INYJAFUPUKOTDC-DMZKTXOQSA-N 475.793 4.878 50 1 JJGF C[C@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962662645 LTDAGNJZGPJNCN-MUUNZHRXSA-N 478.011 4.789 50 1 JJGF CC(C)(C)[C@]1(/C(C#N)=C\c2ccccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237186 WVEQOGMEHBDHDK-IHUXNNPGSA-N 456.502 4.590 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 963271563 WGORHEXWZMTJKK-PTFIGZPYSA-N 481.379 4.896 50 1 JJGF COc1ccc(Br)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587373669 MTSKCONIHCGWOO-GOSISDBHSA-N 455.146 4.604 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542148 FWKXQJMQBHALGT-CJFMBICVSA-N 499.903 4.525 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587689529 UBOWIBYGUUWDJC-GWUBFIHGSA-N 457.771 4.725 50 1 JJGF N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587509282 RBKPZSUYGSJWLV-CRCBRLRVSA-N 480.967 4.914 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587672535 GKODARZXADWBKX-JEOXALJRSA-N 473.180 4.778 50 1 JJGF CCOC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587673493 NHRXOUBMRLHRRA-FKIZINRSSA-N 485.191 4.938 50 1 JJGF O=[N+]([O-])c1ccccc1[C@@]1(CBr)NC2(CC2)Cc2ccc(Br)cc21 961615568 PSVOPQFAXJLPQX-GOSISDBHSA-N 452.146 4.674 50 1 JJGF CC(C)(Br)[C@@H](Br)CC[C@@]1([C@@H](Br)CBr)CO1 195488215 GGAPYRSAAHUZID-NRPADANISA-N 471.853 4.631 50 1 JJGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538444 FAWPXGUUEZJDTI-CBWQTPAUSA-N 491.341 4.981 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769521 NTPKAHRSCKLGOP-JBEBIEQOSA-N 499.384 4.504 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587859118 VTNINBGHQUPXQG-APBUJDDRSA-N 455.780 4.649 50 1 JJGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CCC=CC(C)(C)OO)[C@@H]1C=COC(=O)C=C(C)C 2356370327 ZNBNYYUOWWKVCP-VRUMLPLGSA-N 462.583 4.723 50 1 JJGF O=C(NNc1nc(-c2ccccc2)nc2c1[C@@H]1CCCN1C(=O)N2c1ccccc1)c1cccnc1 45256306 RPRLBYIHMSLBTO-NRFANRHFSA-N 477.528 4.704 50 1 JJGF COc1cc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O 53242789 LNKKVTDEUXTOHU-XZOQPEGZSA-N 474.904 4.635 50 1 JJGF CN1C(=O)CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587324961 BGFSFSTVCQJBPE-AZGAKELHSA-N 465.908 4.934 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587538147 OEXWRSHFABJAGI-NZQKXSOJSA-N 471.303 4.661 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587542577 HMQJKIJZUQDBMJ-USPKDDAKSA-N 455.894 4.608 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(c4ccccc4CCC[C@@H]3Br)N12 962667472 OBKXRKZPSMDXEN-GPUOULLFSA-N 465.391 4.677 50 1 JJGF O=C(NNC(=S)Nc1cccc(F)c1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857599913 DBUBVKHVPSNEOS-UHFFFAOYSA-N 467.913 4.828 50 1 JJGF CC(=O)O[C@H]1OC=C[C@H]2[C@@H]1[C@H](C)C[C@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195412615 NTRRPMYMVJMMQF-DIRKAARUSA-N 450.651 4.637 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](Br)C2 587680231 HZIKZNSCDXINAW-AXXDXXKNSA-N 455.165 4.694 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687100 FJVZZTAABXSCKV-SBKAZYGRSA-N 457.771 4.726 50 1 JJGF COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586971250 PEVLWPDDVCYYQJ-MRXNPFEDSA-N 472.792 4.878 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674602 YAKQSCUXKBOXLB-GIPWTMENSA-N 482.191 4.646 50 1 JJGF CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685273 PCEVYQQQNUKVFK-RCDICMHDSA-N 467.810 4.674 50 1 JJGF N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53312671 CEPPEANFTHBOIN-AFLUBYKLSA-N 484.560 4.708 50 1 JJGF N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370516 XQXNSIHQSHYMGX-GMAHTHKFSA-N 450.447 4.908 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2 587372389 KWNQKXGRIHWOJZ-UPVQGACJSA-N 465.893 4.592 50 1 JJGF COc1cc2c(cc1OC)[C@@](CCl)(C(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775514 JFOAOCBFCYLUOI-RUZDIDTESA-N 454.954 4.543 50 1 JJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3cccc(F)c3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169371474 DFCFMQCTNPNDEL-MQJZDNNWSA-N 456.352 4.963 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587538149 OEXWRSHFABJAGI-REWPJTCUSA-N 471.303 4.661 50 1 JJGF C[C@]1(c2ccc(N3CCN(C(=O)CCl)CC3)cc2)NCCc2cc(-c3ccccc3)ccc21 962658284 CMCBYTWVYFCWPU-MUUNZHRXSA-N 460.021 4.650 50 1 JJGF COc1ccc(-c2cc(=O)c3c(O)c4c(cc3o2)OC(N)=C(C#N)[C@H]4c2ccc(F)cc2)c(OC)c1 1911573238 JOOGKBCOMNNEPP-HSZRJFAPSA-N 486.455 4.540 50 1 JJGF CCOC(=O)[C@H](C)Oc1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 103177827 SGAKSKACISAWRD-GUHGYZTNSA-N 476.566 4.604 50 1 JJGF N#Cc1cccc([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962626451 GYAUMXHFJIFAMP-RSXGOPAZSA-N 458.403 4.944 50 1 JJGF CCCCCCCC[C@H](O)[C@H](Cl)CC=CC=C[C@H](O)CC(=O)NC1=C[C@@](C)(CC)OC1=O 2356573267 HRCLCHPDQRHDBL-FOTFPPMPSA-N 470.050 4.684 50 1 JJGF CCOCCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC 103210784 FVAVQFTVBKOPJA-NHFXJNLRSA-N 484.555 4.996 50 1 JJGF O=C(NCCCCBr)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O 299857015 DNOQPNOZTVSUGP-UHFFFAOYSA-N 492.211 4.717 50 1 JJGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(CBr)cc41)[C@@H](C2)C3=O 587414826 XWNLMUFPAKJYOL-NBGIEHNGSA-N 461.311 4.826 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 587672388 FSOCOJGBROGFBN-NSPYISDASA-N 471.164 4.532 50 1 JJGF CC(=O)N1CCc2sc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C1 587859461 WXZIFDRTFWHXKA-BIBXISHDSA-N 471.823 4.571 50 1 JJGF Cc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962894203 HWMBKWSIWWINQR-BBVWWWHTSA-N 451.925 4.775 50 1 JJGF O=C(N/N=C(\C=C\c1ccccc1O)c1cc(O)ccc1O)Nc1ccc(Br)cc1 103217216 RDPJLHVMPZWJNS-MWUNSWTLSA-N 468.307 4.805 50 1 JJGF COc1ccnc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587321709 KLXACKFSEBKZCU-IRLDBZIGSA-N 458.283 4.584 50 1 JJGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)CC2=O 587455626 FAEVNOHUFHEQGP-ZLOXQWCVSA-N 458.352 4.874 50 1 JJGF COc1c(F)cccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587718090 HVFBFIVJXMOMTF-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H](O)C[C@@H]2C[C@H](C=C=CBr)C[C@H]2O1 2356450027 GHNBYHYHPRVNAS-GVXIKVBVSA-N 487.070 4.922 50 1 JJGF CO[P@@](=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425620 HRWGWXYHABIRQD-HKBQPEDESA-N 484.720 4.833 50 1 JJGF O=C(NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857616099 VDZWEGFPUVKNDZ-UHFFFAOYSA-N 467.913 4.828 50 1 JJGF O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1cccc2ccccc12)c1cccs1 61886726 IZPIXNBGKAOSQJ-WRIMGEDOSA-N 466.566 4.874 50 1 JJGF COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)c1 64549699 RLHJVTWORBHNIE-FATVKVNYSA-N 470.573 4.687 50 1 JJGF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cccc2Cl)N1C(=O)CCl 66101765 VJCRBWFFOAEHKQ-OXQOHEQNSA-N 451.737 4.729 50 1 JJGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 103019299 VDGKOGKAKKJACD-VTLMBFNKSA-N 474.504 4.815 50 1 JJGF O=C(CCCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328840 VYNGLPSACDLYCN-ZCYQVOJMSA-N 453.897 4.531 50 1 JJGF CC(C)(Br)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539020 UEYLOMHFQPLFRN-KSSFIOAISA-N 456.130 4.661 50 1 JJGF COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587539526 WUNOSWOCCUCHSG-SIKLNZKXSA-N 486.274 4.561 50 1 JJGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685477 QWRMWZQHADVJBP-YEJXKQKISA-N 453.783 4.583 50 1 JJGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 1772627356 JNRQCXGELOTCAJ-WSDLNYQXSA-N 480.531 4.692 50 1 JJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1 45300542 FKTFWCIZOCYNED-VULFUBBASA-N 451.442 4.761 50 1 JJGF COc1cc(Cl)c([C@@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962762554 JKJSVFUQTYPDRK-KXBFYZLASA-N 492.719 4.641 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)Br)N1 587669805 FVXDFOGPCRFEAW-CLAHSXSESA-N 458.007 4.886 50 1 JJGF COc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587671753 AMOBQEUGJHVYIW-MGNBDDOMSA-N 488.151 4.678 50 1 JJGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1cccc([N+](=O)[O-])c1F 962374438 PUYQYPZZCLCBKW-HXUWFJFHSA-N 464.360 4.831 50 1 JJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 963185542 RNOOCZHKZFPDJK-VLIAUNLRSA-N 476.278 4.601 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541735 DIVRAYPWDCARRT-YSANICFGSA-N 469.921 4.998 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 587674330 WCGWIDARMFOALA-QGHHPUGFSA-N 458.125 4.669 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587685830 BHAWPJHFNUAIRA-ZXNZOMRRSA-N 499.211 4.666 50 1 JJGF Oc1ccc(Br)cc1[C@@]1(CBr)c2c(F)cccc2C[C@@H]2CCCN21 963101679 LNVSJEJTFZYDPD-LIRRHRJNSA-N 455.165 4.953 50 1 JJGF COc1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc1OC 367884015 VQIHHEHOGCEHDD-QGZVFWFLSA-N 482.387 4.612 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)cc1F)[C@@H](C2)C3=O 587425218 ACUNPFGTVLFWKO-UGSOOPFHSA-N 456.105 4.635 50 1 JJGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(C(F)(F)F)cc1F 1857564206 NMFSLVYSXOIMPW-GEVRCRHISA-N 484.041 4.839 50 1 JJGF C=C(C=CC=C(CO)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 2356578378 PFWNRJSLKAVWGD-PCPRHZMTSA-N 486.693 4.970 50 1 JJGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(/C(C#N)=C\c5ccccc5)[nH]c4c3)cc2)CC1 587187446 HBNQOQNACONWJX-ULJHMMPZSA-N 476.584 4.627 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587674462 WSSPSHCRVBFSEU-ZSEKCTLFSA-N 496.218 4.888 50 1 JJGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC 95568649 WLXTWMYVUVATPI-AREMUKBSSA-N 497.551 4.637 50 3 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587673006 JKVKZUPWUPXFBT-ASSNKEHSSA-N 496.218 4.888 50 1 JJGF Cn1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c2ccccc21 962931681 XSSJUBPIYUEONI-OZXSUGGESA-N 462.933 4.758 50 1 JJGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2ccccc12 103208302 CMZHTPYHCQBYAA-JOCHJYFZSA-N 487.581 4.689 50 1 JJGF CC(=O)O[C@H]1S[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1N=[N+]=[N-] 194984812 SNHPAOKLHCNOLN-COPCDDAFSA-N 455.656 4.637 50 1 JJGF 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@@H](C)CC)CC[C@@H]2C(=O)O 238777412 PHXQNFSQKWPZCY-JIWXNPPKSA-N 456.579 4.854 50 1 JJGF Cc1nn(Cc2ccc(C(=O)Cl)o2)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881297 JVBZUUBZUASCFV-UHFFFAOYSA-N 478.763 4.537 50 1 JJGF COc1cc(/C=N/NC(=O)c2cccnc2Nc2cc(Cl)ccc2C)cc(OC)c1OC 45389986 IWIHWUKHMDGNIN-LGJNPRDNSA-N 454.914 4.577 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C 238785523 YGBUJACBKXHYOB-MGNBITOISA-N 474.594 4.794 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)O2 587372415 IQHQFNDNSYTCDL-VWLOTQADSA-N 491.341 4.633 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587686500 VLPYCDUCSTULEM-YBTHPKLGSA-N 452.755 4.582 50 1 JJGF 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=O)[C@@]3(C)CC[C@@H]12 2356733504 AWDPTRZXHHZHKD-XPMQJPLESA-N 470.606 4.921 50 1 JJGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537552 HNMFWNYROBHQTM-GPZKINBFSA-N 469.287 4.761 50 1 JJGF COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587546586 WVRKHGGPPUUFKQ-OZXSUGGESA-N 483.948 4.860 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 587674695 ZNLJDPBKHNXRBT-JEOXALJRSA-N 455.165 4.696 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587689748 VOCNTIUNKGEEIS-SASJJMKUSA-N 465.794 4.902 50 1 JJGF C=C1CC[C@@H](Br)[C@@]2(C)[C@H]1[C@H]1[C@H](C(C)C)[C@H](OC(C)=O)C[C@](C)(O)[C@@H]1C[C@H]2OC(C)=O 140001169 CJMZSYYBYRJMHN-FLTVUJMMSA-N 485.459 4.649 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnn(-c2ccccc2)c1 587538871 RXKZLWVAOXGMQL-URXFXBBRSA-N 477.314 4.830 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(N2CCCC2=O)c1 587539269 VCYVIDDGAGPUST-WIOPSUGQSA-N 494.341 4.771 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 587684372 PIRDPFFGXRCRCD-OVWNDWIMSA-N 467.132 4.604 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 963185543 RNOOCZHKZFPDJK-XOBRGWDASA-N 476.278 4.601 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 963260576 YMJKLNAYBBDQEP-UZUQRXQVSA-N 489.440 4.554 50 1 JJGF C[C@@H]1Oc2ccccc2C=C1C=NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2356580420 VBYRVFSKLIRPLQ-GAJHUEQPSA-N 474.561 4.570 50 1 JJGF CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323562 RWGGCBGRFJTBPK-AVRDEDQJSA-N 465.315 4.613 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(OC)c1OC)CC2=O 587456551 QRHUHHKUQCPEPT-QFIPXVFZSA-N 465.340 4.626 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc2c(cc1CBr)OCO2 587877149 WLMVCTHCJYXPDH-UHFFFAOYSA-N 469.162 4.522 50 1 JJGF CCOC(=O)/C(C#N)=C/Nc1ccc([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)cc1 962374416 PQMWIJHDSILURG-GHZVVNKJSA-N 460.603 4.791 50 1 JJGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 473152907 XAMVEKXWIMINPW-UHFFFAOYSA-N 458.150 4.775 50 1 JJGF O=CN1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587327605 QFHNVBRNMMWCDI-UKILVPOCSA-N 451.881 4.543 50 1 JJGF CO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)CBr 587700497 BLDAONJKVPCJEB-VVXYKMBASA-N 461.091 4.805 50 1 JJGF O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN/C=C1\C=Nc2ccccc21 13119292 VUEJUFDQDSGGNL-GXDHUFHOSA-N 474.036 4.954 50 3 JJGF COC(=O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587322078 LJPWTOFILSTLIS-URXFXBBRSA-N 485.305 4.967 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587422099 PFJAZFMTEMLNJE-JVFUWBCBSA-N 457.954 4.556 50 1 JJGF CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@H]1C(=O)c1c(O)cc(O)cc1C2=O 2356622754 LUTUDNBLGPLGEH-YHVVQOCTSA-N 499.431 4.823 50 1 JJGF CC(=CC[C@H](O)[C@](C)(Br)CCl)[C@H](Cl)C(Br)Br 2356792421 JRSPMKLAEFXQJW-OYNCUSHFSA-N 461.847 4.799 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587674478 XBDGLSLIYRSEPM-LRTDBIEQSA-N 496.218 4.888 50 1 JJGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl 34802458 HLMYMNIILJVXNP-FBNDGMMSSA-N 456.951 4.956 50 1 JJGF O=C(NNC(=S)NC1CCCCC1)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 49803655 LHTOWPQAHDCXHQ-UHFFFAOYSA-N 491.661 4.861 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587688715 NKLNDXMHQKAHSI-FFUDGTDTSA-N 499.211 4.666 50 1 JJGF CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684028 JOXPYBMYTKCGAU-ASSNKEHSSA-N 453.783 4.583 50 1 JJGF CC(C)=CCC=C(C)C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O 2356596172 BMPGBLDSYWACKF-CDTAUBPISA-N 486.693 4.970 50 1 JJGF O=C(Nc1ccccc1)N(C1=NC[C@@H](CI)S1)c1ccc(F)c(F)c1 6004733 OQGRAJCEHJNNDO-CYBMUJFWSA-N 473.286 4.910 50 1 JJGF CC(C)Oc1cccc(-n2c(NNC(=O)c3ccc(Br)cc3)nc3ccccc3c2=O)c1 13779063 BHFICGAYZYPXKD-UHFFFAOYSA-N 493.361 4.692 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587684634 LHDLZNCUKKHETI-FIKIJFGZSA-N 499.771 4.916 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)[C@H]2Br 962639027 OAMOGRVTTCURLL-NWUWWPBGSA-N 462.306 4.599 50 1 JJGF Cc1ccc(/C=N/NC(=O)Cn2nc(/N=C/c3ccc(C)cc3)c3ccc(C(F)(F)F)nc32)cc1 1857593804 SUYXKWWKUKREST-HZUVFDMRSA-N 478.478 4.968 50 1 JJGF COc1cc2c3c(c1)-c1c(ccc(OC)c1OC)C[C@@H]3N(CCN(CCCl)CCCl)CC2 19364638 RTNDRYZYCUQJIF-NRFANRHFSA-N 479.448 4.614 50 1 JJGF C/C(C=O)=C\[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 84635120 NZGITYVJSRBFQS-HHMFILIPSA-N 484.677 4.795 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587687824 IORJGYALNQTDKU-IFMYKAFSSA-N 465.794 4.902 50 1 JJGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(CBr)ccc41)[C@@H](C2)C3=O 587413292 MNYBFFGODJNKJD-CPJSRVTESA-N 461.311 4.826 50 1 JJGF COc1cccc(OC)c1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674744 ZYGIFHFUOSJQBZ-NSPYISDASA-N 473.180 4.778 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587684640 LHDLZNCUKKHETI-WIUDPPPLSA-N 499.771 4.916 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587685770 RPWZSCVIJBLSIX-WVDJIFEKSA-N 457.771 4.726 50 1 JJGF CC(C)c1cccc(-n2cc(CN3C(=O)[C@H](C)[C@@H]4CC[C@@H](C)[C@@H]5CC[C@@]6(C)OO[C@]54[C@H]3O6)nn2)c1 1772609260 AISGVOIQQHKSCN-PPZWFELCSA-N 480.609 4.585 50 1 JJGF CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@@H]2CC1=O 2356811268 YVQVUHJNIVGAHG-ZRYIBQHNSA-N 453.535 4.929 50 1 JJGF COc1cc(C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 29126402 ZDEJDHSYXUSLDQ-UHFFFAOYSA-N 498.963 4.840 50 1 JJGF O=C1C(=O)N(Cc2ccc(CN=C=S)cc2)c2c(Br)cc(Br)cc21 72123128 QTTIMXAHYJGOHD-UHFFFAOYSA-N 466.154 4.544 50 1 JJGF C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](C1CCCC1)[C@@]42CC3=O 85549529 SDVAQICNXIRWFG-BHJJLWMTSA-N 491.767 4.684 50 1 JJGF biogenic,in-vitro CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687333 FZIPBMTZILMCLC-VVYDWRJNSA-N 467.810 4.672 50 1 JJGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641861 QJWWFMWVOXOJBS-LWGAZXOISA-N 478.692 4.865 50 1 JJGF CC(C)C[C@H](NC(=O)[C@](C)(CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650923 XIPJWXBPVPSNSU-REWPJTCUSA-N 492.401 4.840 50 1 JJGF CC(C)OC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC(C)C 4692280 VJEKSHXRWHXOKP-UHFFFAOYSA-N 480.840 4.918 50 1 JJGF C[C@@H]1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13492706 WUACEHRKTXWVKL-TXMABLNQSA-N 463.965 4.906 50 1 JJGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@@](=O)c2ccccc2)=N1 34802469 YWORQRVPTVGAJO-HFVLIPCGSA-N 490.503 4.627 50 1 JJGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544311 NQGIFWMCFTXCQU-ZVNQEMBASA-N 479.960 4.945 50 1 JJGF CN(C1CCNCC1)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 254075433 GGVFTMZBZDMNKY-IYARVYRRSA-N 459.656 4.602 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O 587455341 AOPVDAUSPYCECO-FQEVSTJZSA-N 450.285 4.517 50 1 JJGF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](Br)C2 587545259 QFJGFQLMDYFEQY-MZKRTTBSSA-N 453.288 4.578 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 587672496 GHVQQPGPXIQPEI-XCLFUZPHSA-N 479.191 4.947 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3oc2=O)N1 587674217 UWAVHNJKTKLIPR-PRWKNARSSA-N 481.159 4.867 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587849814 WBWHAPCZXNJWBL-HUTHGQBESA-N 477.193 4.609 50 1 JJGF CC(C)(C)[Si](OCCCc1ccc(=O)n(Cc2ccccc2)n1)(c1ccccc1)c1ccccc1 195313937 WNFCVOPVRDTYGF-UHFFFAOYSA-N 482.700 4.801 50 1 JJGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(S(N)(=O)=O)cc1 587532855 PZAICUUAHJNHRB-AREMUKBSSA-N 499.032 4.720 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543551 KTVJUYSOOBBYFF-FTPHCPBZSA-N 451.906 4.685 50 1 JJGF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr 587674614 YCMJRMJZJCTIDS-NSPYISDASA-N 473.180 4.994 50 1 JJGF CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2CNC(=O)[C@]23CCC(=O)N3Cc2ccccc2)cc1 195501065 YGBZDELKCFINNB-GJZUVCINSA-N 450.655 4.845 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2COc3ccccc3O2)[C@@H]1c1ccc(F)cc1 587321670 KKYWZASBZAZNQM-WMTXJRDZSA-N 485.305 4.864 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545404 RLAPVSVJHRZYDX-YKSBVNFPSA-N 455.894 4.610 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)Br)N1 587669810 FVXDFOGPCRFEAW-RTHLEPHNSA-N 458.007 4.886 50 1 JJGF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)c(Cl)c2)N1C(=O)CCl 66101763 XFDLAGZBCJIJGU-FXAWDEMLSA-N 451.737 4.729 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587685810 RQXMXQYQMZIIKB-FKIZINRSSA-N 453.739 4.561 50 1 JJGF CS(=O)(=O)c1ccc([C@]2(CBr)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1 963193782 LPTKKWOWKOLYEA-JWQCQUIFSA-N 495.442 4.852 50 1 JJGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(Br)c1OC 72110166 BIFCVMOFFOGNOJ-FOKLQQMPSA-N 474.380 4.565 50 1 JJGF COc1c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c(C)c1[N+](=O)[O-] 587376370 XEKXDQYBLODNQG-IBGZPJMESA-N 469.719 4.711 50 1 JJGF C/C=C(\C#N)C(=O)N1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccccc2)C1 621478497 WCWRDQSYJMZWMG-VRUBRIITSA-N 457.452 4.626 50 1 JJGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955413 KWVTYAKSGRGVKC-WNSKOXEYSA-N 467.915 4.855 50 1 JJGF Cc1cc([C@@]2(CBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(F)cc1Cl 963239132 ZXEPWWIJBIUNHE-PZJWPPBQSA-N 463.734 4.573 50 1 JJGF O=C(NCc1ccccn1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018991 ZCAMSYWSXCHJFH-HZFUHODCSA-N 481.536 4.594 50 1 JJGF CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC2CC2)c1=O 205281682 HPNVXXHVTPDBCF-UHFFFAOYSA-N 455.599 4.799 50 1 JJGF COc1cc(Cl)c([C@]2(CBr)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962762552 JKJSVFUQTYPDRK-HNAYVOBHSA-N 492.719 4.641 50 1 JJGF Cc1ncccc1[C@@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960313 SXUXKSUFAYGLBX-HXUWFJFHSA-N 455.318 4.699 50 1 JJGF O=C(N/N=C/c1cc(OC(F)(F)F)ccc1O)c1ccc(Br)cc1Br 1857590972 NWEMLTCAJDXJNM-QPSGOUHRSA-N 482.050 4.580 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 587496073 HNFMVBNMSBHAOL-PGRDOPGGSA-N 450.373 4.674 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587674287 VUZULNPMVTVAKQ-LHSJRXKWSA-N 498.234 4.598 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169299062 OJCKRNPLOZHAOU-DJCRQEAESA-N 489.653 4.636 50 1 JJGF N#CC1=C(N)OC(c2ccccn2)=C([S@@](=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 1857639966 NFMKLQHJRCNTTO-KGMZSHBCSA-N 478.917 4.627 50 1 JJGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CCCOC(=O)CBr 13651603 QHCQRUVEJHDCDR-IDNQLYMWSA-N 451.401 4.698 50 1 JJGF N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53312663 CEPPEANFTHBOIN-GVRHSERBSA-N 484.560 4.708 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)CC2=O 587455625 FAEVNOHUFHEQGP-ZAMGYDSWSA-N 458.352 4.874 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587736388 VVBABSSHGUJHTK-FVINQWEUSA-N 455.730 4.629 50 1 JJGF O=C(N/N=C/c1cccn1CCCN1CCCC1)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857764626 DKQUAMYLUBADJD-VUTHCHCSSA-N 471.565 4.750 50 1 JJGF COCC1=CC[C@](C)(CC=CC(C)(C)OO)[C@H](C=COC(=O)C=C(C)C)[C@H](CC(C)=O)C1=O 2356665802 FLCCFFRXIUCVFQ-VRUMLPLGSA-N 462.583 4.987 50 1 JJGF Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587671916 BKTXEOKNBVGZRJ-ADLMAVQZSA-N 472.152 4.978 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587686497 VLPYCDUCSTULEM-PRWKNARSSA-N 452.755 4.582 50 1 JJGF COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587689984 YIEDELHVTBIZFT-LAJNKCICSA-N 471.798 4.586 50 1 JJGF CN(C)c1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963172565 DCIFWHGRMHLIST-PKOBYXMFSA-N 491.735 4.662 50 1 JJGF O=C1OC(=O)c2cc(-c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)ccc21 586909094 VIWKQIOTLHFVPO-UHFFFAOYSA-N 451.360 4.812 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 587671473 SDURPOOXVFADTN-XCJKDKRRSA-N 471.164 4.878 50 1 JJGF CC(C=O)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@H](C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 2356383481 NZGITYVJSRBFQS-RZHCXMLOSA-N 484.677 4.795 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689051 PCRLEFIJIJFBME-CFMSYZGJSA-N 457.771 4.726 50 1 JJGF COc1ccc(C[C@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963183051 IMLUMHYDQYTKNB-DNVCBOLYSA-N 492.719 4.799 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587537906 LOUVRMKPJGZCBR-OFNKIYASSA-N 471.303 4.661 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688016 JLMJULZMGJFCIE-WVDJIFEKSA-N 457.771 4.726 50 1 JJGF C[C@H]1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13492707 WUACEHRKTXWVKL-SSGLAOATSA-N 463.965 4.906 50 1 JJGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322402 GZHJNJWCLLNFJC-PZQJFTFDSA-N 453.897 4.529 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(c4ccccc4CCC[C@H]3Br)N12 962667478 OBKXRKZPSMDXEN-SDUSCBPUSA-N 465.391 4.677 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=CCC[C@@H](C)CC)CC[C@H]2C(=O)O 2356789961 DXPNTMBJXVSKRN-JOGJXMADSA-N 456.579 4.998 50 1 JJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(C#N)cccc12)c1ccccc1 40584442 KMMJBTPFPQGXOL-UHFFFAOYSA-N 452.470 4.700 50 1 JJGF CC(C)C[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473082070 GBNBYAUXIZOMSP-QGZVFWFLSA-N 450.362 4.740 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 587372377 KUVRAHUCFBYDBR-IYJVBRSBSA-N 460.917 4.596 50 1 JJGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356359520 MLPBHZYSEWWJBH-QJSKMURHSA-N 477.740 4.663 50 1 JJGF COC(=O)Nc1nc2n(n1)[C@H](c1ccc(C#N)cc1)C(C#N)=C(C)N2c1cccc(C(F)(F)F)c1 168554873 CBMCUAQNNUOHFF-LJQANCHMSA-N 479.422 4.886 50 1 JJGF in-vitro CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587376700 PWELGRPTDVVNMI-JTHBVZDNSA-N 459.926 4.722 50 1 JJGF Cc1ccc(-n2c(SCC(=O)NN/C=C3\C=Nc4ccccc43)nnc2-c2ccccc2)cc1 33926313 ZYJWDHRRVCILIC-CAPFRKAQSA-N 466.570 4.713 50 3 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)O2 587372538 MJGUKKPAUUCPEZ-HFJWLAOPSA-N 466.965 4.935 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 587711055 VOCOXMJQQTYUFW-KBUNVGBDSA-N 455.034 4.910 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cc(Cl)ccn2)N1 963185658 RWMLKGYVHOETCR-ZBEGNZNMSA-N 484.099 4.645 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(CBr)cc1)[C@@H](C2)C3=O 587414095 RWKGEZUXWRARJH-KXBFYZLASA-N 452.142 4.628 50 1 JJGF O=C1C[C@](CBr)(c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587497065 BVFVLEKKTCQKHO-DEOSSOPVSA-N 456.380 4.658 50 1 JJGF C[C@@H]1[C@@]2(CO)CC[C@H]3C4=C5CCC[C@@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356492749 CGKJNYJXGOLYNH-HYDLEMRDSA-N 489.751 4.519 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)O2 587372413 IQHQFNDNSYTCDL-RUZDIDTESA-N 491.341 4.633 50 1 JJGF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCBr 587538038 MITCWZOVSJAIHH-OFNKIYASSA-N 471.303 4.877 50 1 JJGF CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673652 OYBBWUJAXMMOIO-MPBGBICISA-N 485.191 4.938 50 1 JJGF Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587673166 KZDDDTMONJVIPV-BBATYDOGSA-N 472.152 4.978 50 1 JJGF CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684031 JOXPYBMYTKCGAU-ZSEKCTLFSA-N 453.783 4.583 50 1 JJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 963185513 RNOOCZHKZFPDJK-JLTOFOAXSA-N 476.278 4.601 50 1 JJGF CC(C)C[C@@H](NC(=O)[C@@H](CCI)Cc1ccccc1)C(=O)Nc1ccccc1 1650916 YOXNXDPLKDMGEC-PZJWPPBQSA-N 492.401 4.840 50 1 JJGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)NN)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054689 HSMFHXPAYCXSMK-SXGWCWSVSA-N 465.344 4.945 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 587672977 JHJCLPSCTXFVMR-ODXCJYRJSA-N 485.191 4.922 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](Br)C2 587682058 MJECLRPBNIAZBI-RSULWSAWSA-N 455.165 4.694 50 1 JJGF O=C(NCCNc1ccnc2cc(Cl)ccc12)C1CCC2(CC1)OOC1(CCCCC1)OO2 49881474 LEHZOEBSSUJTMP-UHFFFAOYSA-N 475.973 4.873 50 1 JJGF C=C1C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O 118922765 SZGQTKQSDGZCFY-JJUAKQMUSA-N 453.804 4.720 50 1 JJGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccccc2O)cc(C(F)(F)F)c1 1857650598 ZDVVWVNADNTYCH-UHFFFAOYSA-N 456.892 4.959 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br 587323503 KRRYLAFZQIDKIK-PVCMOVRHSA-N 489.337 4.913 50 1 JJGF C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325427 FMJRWFLTMWHHOH-ZCYQVOJMSA-N 483.879 4.712 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 587673332 MBLAXMZWRLIFSB-BTDLBPIBSA-N 458.125 4.669 50 1 JJGF O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccn(Cc2ccc(Cl)cc2Cl)n1 13125013 SOTSNVRXRJKIDQ-JLHYYAGUSA-N 491.176 4.992 50 3 JJGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587324373 QLVDLRQCBOEPFD-YDHSSHFGSA-N 492.341 4.643 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(Br)c1)[C@@H](C2)C3=O 587414978 QCWUULKDVJIQLN-DJJJIMSYSA-N 468.141 4.504 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587672450 FXVFOXXNRHVEDB-QGHHPUGFSA-N 458.125 4.669 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587672777 HPUIVPANUFMAPF-MGNBDDOMSA-N 488.151 4.678 50 1 JJGF CC1(C)C[C@](O)(C[C@@H]2CC[C@]34[C@@H](O)O[C@](C)(CC[C@H]3Br)[C@@H]24)CC[C@@H]1Br 2356416506 WDJJPAMUJVXVLI-XFFLZRQOSA-N 480.281 4.758 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587412827 CNZAMETWJUIVIJ-FKIZINRSSA-N 482.714 4.612 50 1 JJGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 963228282 RINSHRGGDIULKK-AHWVRZQESA-N 473.916 4.891 50 1 JJGF Cc1ncccc1[C@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960311 SXUXKSUFAYGLBX-FQEVSTJZSA-N 455.318 4.699 50 1 JJGF COc1c(F)cccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587715472 CRHDUIMDLQAPCM-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3cc4ccccc4o3)N12 962636830 JUSYQGATUONKEA-RPWUZVMVSA-N 465.347 4.718 50 1 JJGF C[C@H](Br)[C@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962706476 XPENQXMEWZVOHZ-ROPKVDJYSA-N 464.228 4.610 50 1 JJGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2cccc(F)c2Cl)N1 962968482 CMEFUAJEYGYFTE-YVEFUNNKSA-N 469.084 4.648 50 1 JJGF O=C(N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)OCc1ccccc1 195208829 LJLGPXQVGIKREW-RUZDIDTESA-N 474.366 4.620 50 1 JJGF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 586937348 LWDFHDUAQOYSOG-MGPLVRAMSA-N 487.472 4.629 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3oc2=O)N1 587674215 UWAVHNJKTKLIPR-BIBXISHDSA-N 481.159 4.867 50 1 JJGF CC(C)c1cc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c(O)c(C(C)C)c1 618008208 BXBAWBYAYZUUCX-UHFFFAOYSA-N 495.755 4.550 50 1 JJGF COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC 95567200 RASUYEQWKLFCLA-VWLOTQADSA-N 483.524 4.851 50 3 JJGF CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325715 GWTPLACAGSWNIS-DCLXLUIPSA-N 461.917 4.877 50 1 JJGF COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587724876 MCKXGGFTMVJWLE-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF CC(=O)Nc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587327687 QUYROKQXRSUTDE-ISKFKSNPSA-N 455.869 4.689 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)([C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587424258 YNGCYEDJAPJXHM-OWHZGTRUSA-N 457.954 4.761 50 1 JJGF COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587539525 WUNOSWOCCUCHSG-KNQAVFIVSA-N 486.274 4.561 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672655 GWBYNBBEYQTXTG-BMLIUANNSA-N 458.125 4.669 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@@H]2COc3ccccc3O2)N1 587672839 ILVRBOAAXUDCEW-VMKIBOBSSA-N 471.164 4.553 50 1 JJGF COc1ccc(OC)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587674283 VUJRXEMEOHSJGR-JEOXALJRSA-N 473.180 4.778 50 1 JJGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1cccc(F)c1S(C)(=O)=O 963221315 ACKHBCVVQWFWBN-VFNWGFHPSA-N 454.405 4.524 50 1 JJGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1C2=O 82151320 XNXUPIMANIHXCV-UHFFFAOYSA-N 486.833 4.910 50 1 JJGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCC2=CCCCC2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504235481 RCDJEKRGEWVOFY-OZHWUXDESA-N 491.625 4.525 50 1 JJGF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(F)c2O)N1 587721206 PEVYVUXRDQARLT-QPFGOUBPSA-N 465.107 4.745 50 1 JJGF O=C(CO[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 40899017 LNGSUUIMFLBVCA-VATWTLTGSA-N 495.370 4.555 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 587329222 XMYYEXNQHLKXKM-GJZUVCINSA-N 479.891 4.554 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 587671550 TYDDVNHAZQQXHN-BFKGZMGPSA-N 471.164 4.878 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3ccc(O)c(Cl)c3Cl)N12 962668390 ODKHCGIDMPZHRX-FGZHOGPDSA-N 465.764 4.828 50 1 JJGF Cc1noc(-c2ccc(-c3cc(C#N)cc([C@]4(C(C)C)C(C#N)=C(N)Oc5n[nH]c(C)c54)c3)s2)n1 1772630345 SXRJRPVKNPAZAV-RUZDIDTESA-N 483.557 4.705 50 1 JJGF CCCCCCCC[C@H](Cl)[C@H](O)CC=CC=C[C@@H](O)CC(=O)NC1=C[C@@](C)(CC)OC1=O 2356715071 PGBQPIINQSJCRD-BVVSVSJTSA-N 470.050 4.684 50 1 JJGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 587324855 ALKLODGTGBYIFS-QPPBQGQZSA-N 466.900 4.550 50 1 JJGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641867 QJWWFMWVOXOJBS-MWJQBAMBSA-N 478.692 4.865 50 1 JJGF N#C/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 1772580627 SWEBEQUEVFYZAA-WFFULSIGSA-N 467.569 4.721 50 1 JJGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)n(C)c1 27084698 FGFXVRXZJCHWFF-ZNFPLGDCSA-N 450.970 4.882 50 1 JJGF CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1cc(C)cc(C)c1 95595663 PNACQZUJZSWXRE-YSSBIZNGSA-N 470.574 4.975 50 1 JJGF CC(C)(C)OC(=O)NC1CCN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 169321483 SYEJBBPSTHIDER-UHFFFAOYSA-N 478.630 4.677 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnn(-c2ccccc2)c1 587538874 RXKZLWVAOXGMQL-XUZZJYLKSA-N 477.314 4.830 50 1 JJGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2cccc(F)c2Cl)N1 962968479 CMEFUAJEYGYFTE-SJKOYZFVSA-N 469.084 4.648 50 1 JJGF CC(C)(C)NC(=O)[C@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C 2172661 VJSQZSFNIPMTTB-PCTYZZJISA-N 460.048 4.587 50 1 JJGF CCN(CC)CC(=O)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 222651867 SSAPDVAKYRAWIE-UHFFFAOYSA-N 480.440 4.895 50 1 JJGF O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 222685295 VSWNDQVSFNRADR-UHFFFAOYSA-N 478.424 4.649 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 587322127 LLIGUXCPNKABCT-GMAHTHKFSA-N 471.278 4.909 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc([N+](=O)[O-])c1 587537215 BVWJIMFUUFCNND-GHTZIAJQSA-N 456.248 4.552 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)F)N1 587705387 MESFFFGPRPCFSJ-ULHQUTTKSA-N 483.923 4.996 50 1 JJGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 962639594 VIJYARSFGNHERC-CTNGQTDRSA-N 484.312 4.701 50 1 JJGF CN1C(=O)CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587539676 XHMCRLURAJULQO-RDGATRHJSA-N 494.341 4.553 50 1 JJGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672232 YGOHWUINRYMYLM-OPURJYLOSA-N 485.191 4.693 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)/C=C/c3cc4ccccc4[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857565827 QFJAYAJHLBSZQK-KGYKJHMLSA-N 453.535 4.932 50 1 JJGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC 95568648 WLXTWMYVUVATPI-SANMLTNESA-N 497.551 4.637 50 3 JJGF COc1ccc([C@@H](O)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C 195176682 LWMRWPBWSYSVCW-FGZHOGPDSA-N 464.631 4.872 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2COc3ccccc3O2)[C@@H]1c1ccc(F)cc1 587321668 KKYWZASBZAZNQM-CQOQZXRMSA-N 485.305 4.864 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2=O)cc1 587539885 YKVLCDRODOAHLU-RDGATRHJSA-N 494.341 4.771 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)F)N1 587705384 MESFFFGPRPCFSJ-BLTYZCFWSA-N 483.923 4.996 50 1 JJGF COc1ccc(F)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587734752 VNJOFMQVUMVTFD-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325188 CNOMHXYKCCFUOC-ILBGXUMGSA-N 453.897 4.661 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1nc2ccccc2nc1CBr 587876825 PFWKSKGGIWJLKI-UHFFFAOYSA-N 477.189 4.736 50 1 JJGF O=c1cc(CCl)oc(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1O 64510476 ZYSKBWRPXABPCJ-QHCPKHFHSA-N 459.373 4.645 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23OC)c(C)c1Cl 257501476 OFHJKWNSOIQOPB-PQFKTJAFSA-N 462.970 4.875 50 1 JJGF endogenous,in-man C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498518 HWGGTEKJFRDPLQ-LFVRLGFBSA-N 459.336 4.673 50 1 JJGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 103019294 VDGKOGKAKKJACD-AUSOSSAASA-N 474.504 4.815 50 1 JJGF Cc1ccc(-n2nc(C)c([C@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CCC4)c2Cl)cc1 169310623 OPFYYYALZSRLSO-HSZRJFAPSA-N 470.964 4.842 50 1 JJGF CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C 254086148 FUXCBQGKUZMZDY-UHFFFAOYSA-N 465.145 4.563 50 1 JJGF CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325191 CNOMHXYKCCFUOC-ZCYQVOJMSA-N 453.897 4.661 50 1 JJGF C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369460 IPWBUPNNNGUSDX-FKIJXQQXSA-N 489.952 4.785 50 1 JJGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]1(O)[C@@]1(C)CC[C@H](Br)C1(C)C 2356791829 JAAMRJACPHHTIP-IRHPQSOGSA-N 474.661 4.794 50 1 JJGF COc1cccc(OC)c1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673268 LVJGAILBFSLYBQ-NSPYISDASA-N 473.180 4.778 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 587682212 RGPMQVKREGOYFM-DGIBIBHMSA-N 467.132 4.604 50 1 JJGF Cc1cc(N(CCCl)CCCl)ccc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224433 CBMHRHJCSXHNLI-XZOQPEGZSA-N 458.389 4.516 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1cccc(F)c1)[C@@]2(C)Br 169371473 DFCFMQCTNPNDEL-HXODDKHPSA-N 456.352 4.963 50 1 JJGF O=C(CCCC[C@H]1CCSS1)NC[C@H](O)CNc1c2c(nc3ccccc13)CCCC2 299866614 PDYJCWAZIZYPDT-ROUUACIJSA-N 459.681 4.717 50 1 JJGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1[C@@]1(C)c3ccsc3CCN1Cc1ccco1)OCO2 962710757 OTNVCHQKMRJJCS-QKFKETGDSA-N 458.967 4.957 50 1 JJGF CC(=O)NCCc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587333872 NPOXBWHNKCERMN-RSXGOPAZSA-N 485.914 4.842 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(Br)ccc1F)[C@@H](C2)C3=O 587424789 VDHHEFWADHXJAU-SCLBCKFNSA-N 456.105 4.635 50 1 JJGF O=C(CCl)NC[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587503545 ORSAQSFVSQAXSB-QFIPXVFZSA-N 462.771 4.544 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1C 962618819 CFVJHIZJVQIWLO-YEBMWUKDSA-N 495.041 4.568 50 1 JJGF Cc1c(C(=O)NN/C=C(\NNC(=O)c2oc3ccccc3c2C)c2ccccc2)oc2ccccc12 49111189 YIVCQELKILVAIO-JWGURIENSA-N 480.524 4.963 50 1 JJGF COC(=O)c1ccc([C@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934103 LSSMYZTVXIYNBT-VQFWCGETSA-N 484.504 4.778 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc4c(c3)CCCC4)N12 962630402 DZSVCQOYBFOYKQ-IZZNHLLZSA-N 479.418 4.851 50 1 JJGF Fc1cccnc1[C@@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962954872 LPVABGSZMJAHRU-IBGZPJMESA-N 459.281 4.529 50 1 JJGF Oc1ccc(Br)cc1[C@]1(CBr)c2c(F)cccc2C[C@H]2CCCN21 963101656 LNVSJEJTFZYDPD-AUUYWEPGSA-N 455.165 4.953 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=CC=C[C@H](C)[C@H](C)CC)CC[C@@H]2C(=O)O 2356798461 PHXQNFSQKWPZCY-IHTFRJANSA-N 456.579 4.854 50 1 JJGF COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CSCc2cc(C)cc(C)c2)cc1 33932170 NBDDYRAPYFDZEI-MBTHVWNTSA-N 491.613 4.713 50 1 JJGF C[C@H]1Oc2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O 587501809 YODYBDCQVDVVME-ZLOXQWCVSA-N 456.336 4.540 50 1 JJGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541299 ASNNZYLYMXQVOI-NSXLHWASSA-N 461.942 4.881 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587686838 XRVCNPLOIXHFNW-MQJDWESPSA-N 499.771 4.916 50 1 JJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1cc(O)ccc1O 961749001 KIPKBGHXCRAOFR-XMMPIXPASA-N 489.410 4.888 50 1 JJGF COc1cc2c(cc1OC)[C@](CCCCl)(c1ccc(C3OCCO3)s1)N(C)[C@H](C)C2 962576161 WOGCQKVXTLZJNK-IQMFZBJNSA-N 452.016 4.950 50 1 JJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3cccc(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 14243504 DFCFMQCTNPNDEL-AWBOJGQLSA-N 456.352 4.963 50 1 JJGF CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118922679 NLSUODIKTXXGJU-XHFUFBBFSA-N 453.406 4.867 50 1 JJGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587373231 HQYOSCLYNINOLU-LADGPHEKSA-N 473.953 4.765 50 1 JJGF O=C=Nc1c(F)cc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587891535 AKGMRADASDNNLZ-UHFFFAOYSA-N 456.098 4.573 50 1 JJGF COc1c(F)cccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587718087 HVFBFIVJXMOMTF-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF Cn1cccc1C(=O)NNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 197970475 VRBULALBCUQDTA-SDNWHVSQSA-N 494.580 4.693 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@@H]1c1ccc(F)cc1 587326055 JKRMELUFUVCABL-RDGATRHJSA-N 467.880 4.981 50 1 JJGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684029 JOXPYBMYTKCGAU-LRTDBIEQSA-N 453.783 4.583 50 1 JJGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)COc2ccccc2)c1NCCc1ccccc1 13491856 SPCMPXJUKGCALR-HXUWFJFHSA-N 478.980 4.949 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Nc3ccc(I)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42784485 HCPJGSVVEZKQAR-YBVSZUDCSA-N 485.362 4.911 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587672660 GYSZGUNRRWVZBB-JEOXALJRSA-N 473.180 4.778 50 1 JJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H](CCCCO)[C@]42CC3=O 2356529023 QGUBUYXZODWBNX-PYGMUTEBSA-N 465.729 4.648 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587686491 VLPYCDUCSTULEM-BIBXISHDSA-N 452.755 4.582 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c[nH]c3ncccc23)N1 587673212 LLBOLHJQCGDCAX-MLCYQJTMSA-N 453.153 4.637 50 1 JJGF COc1cccc([C@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)c1F 962703587 NKAYLMVYFLHPKV-QKKBWIMNSA-N 454.380 4.976 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 38801149 ACOOMDBVWCJRIF-QHHRZPEUSA-N 450.461 4.759 50 1 JJGF CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)NCc2ccccc2)N=C(C)/C1=C(/O)OC 103542155 CIQGJIXRQMBQCJ-JRFDGAOCSA-N 477.586 4.844 50 1 JJGF COCCCN1CCc2ccc(OC)cc2[C@@]1([C@@H](Cl)C(=O)c1ccccc1)C(F)(F)F 961321507 JXNCUHUALFVELI-FCHUYYIVSA-N 455.904 4.838 50 1 JJGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CCC2=O 587366223 LKHOXTXTMUXHHU-WKRHGISZSA-N 484.394 4.561 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725910 SUPFHNHGTDJLBK-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(F)cc(CBr)c2)N1 962700260 QHQGXBXPWPWRPP-JKSUJKDBSA-N 450.201 4.567 50 1 JJGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C(C)C)cc1 16570113 OXMNWDAFLIEBLH-BVZFJXPGSA-N 465.981 4.786 50 1 JJGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C 95560292 UVOMHRSHJFJPNQ-UFFVCSGVSA-N 465.145 4.563 50 1 JJGF CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C 238772623 YGBUJACBKXHYOB-BKNVTKTBSA-N 474.594 4.794 50 1 JJGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056941 QIGTXFAJALOCFC-OQLLNIDSSA-N 486.384 4.989 50 1 JJGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=O)[C@]3(C)CC[C@H]2[C@]1(C)C(=O)O 2356761049 DEDBNJZUCABJGJ-CJBNNBOSSA-N 456.579 4.832 50 1 JJGF CONC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NOC)[nH]c2ccccc12 13734672 BYVXOMRKIJSLRU-UHFFFAOYSA-N 498.630 4.669 50 1 JJGF Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587537167 BLEFBHSURJTUQB-KNQAVFIVSA-N 470.275 4.861 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674222 UYXFERRTKAFPAU-WYRIXSBYSA-N 471.164 4.548 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587853611 AJXWOOXIEVYCQV-GIGQVBGESA-N 455.780 4.649 50 1 JJGF C[C@@H](CBr)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587875339 SFDDPCYYPLXTBW-AWEZNQCLSA-N 455.179 4.866 50 1 JJGF 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(OC)cc1 145594277 YDLQDYFGDUDEQF-DCJIPQLYSA-N 490.593 4.914 50 1 JJGF C[C@@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498513 HWGGTEKJFRDPLQ-FATZIPQQSA-N 459.336 4.673 50 1 JJGF O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc2c(cn1)[nH]c1ccccc12 1857632448 OETWKKMAJRFXJN-CCVNUDIWSA-N 465.469 4.967 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 587688714 NJXWFZNIPNHXKH-OPDJNBBISA-N 461.766 4.854 50 1 JJGF O=C(O)[C@@H](CSSCCNC(=O)C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 72141551 YUVAPSOSCJTYRF-HMUFGHTLSA-N 492.751 4.712 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CBr)[C@@]3(C)CBr)O2 587375854 VNKQNKVSMWTRQL-JNPHEJMOSA-N 457.206 4.877 50 1 JJGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCBr)(c2ccc3c(c2)CCC3)N1 962691868 DOAZOAQNQKHSGJ-CTNGQTDRSA-N 486.303 4.961 50 1 JJGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CCCCl)c1ccc(F)cc1 963137482 FIFJIHSDIRMZPH-IIBYNOLFSA-N 454.951 4.791 50 1 JJGF Cn1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc(Br)c1Br 169702862 HFPAMDWWLSTRDY-NGYBGAFCSA-N 453.949 4.621 50 1 JJGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCC2=CCCCC2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504235484 RCDJEKRGEWVOFY-SNOAKVLZSA-N 491.625 4.525 50 1 JJGF biogenic O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@H]1c1ccc(F)cc1 587326056 JKRMELUFUVCABL-WIOPSUGQSA-N 467.880 4.981 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962713390 REEIFPPTDSXDAV-HJPURHCSSA-N 451.007 4.793 50 1 JJGF C[C@]12C[C@H](CCCCNC(=O)CBr)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13605870 AZXQHKGIEGMXJM-SAOQIDAXSA-N 464.444 4.517 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 587711681 XUTHNAOEFMUJCL-KGFZYKRKSA-N 455.034 4.910 50 1 JJGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nnc(O)c2c1cnn2-c1ccc(Cl)cc1 1772630232 IKEFYPJRSZOALH-AUEPDCJTSA-N 480.962 4.728 50 1 JJGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3Cl)ccc21 1857760565 YUVNYENYNAULJW-MHZLTWQESA-N 495.982 4.670 50 1 JJGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC=CC(C)=C[C@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C 2356618362 OSNZHRXZUAKEOD-LPRZONNQSA-N 454.563 4.774 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769607 OREJGQBOBJNHJY-JBEBIEQOSA-N 499.384 4.504 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587685546 UGZVGJOHVVRUEN-WQBCIRTESA-N 492.227 4.722 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724178 FGTSSTXPTNJBSZ-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF COc1cccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587724629 KNPMKPYGLDLNAA-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF CCc1ccc([C@]2([C@@H](C)Cl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963156094 ZVWKUCXAICSDRX-NYFKNOIKSA-N 450.988 4.823 50 1 JJGF O=C(CCCC[C@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O 43063133 JHNYMWPQZHGTMM-KRWDZBQOSA-N 492.663 4.619 50 1 JJGF N#C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496571 DYGVUVBACUDFKP-GBXCKJPGSA-N 457.357 4.618 50 1 JJGF COc1cc2c(cc1OC)[C@](CCCCl)(c1ccc(C3OCCO3)s1)N(C)[C@@H](C)C2 962576165 WOGCQKVXTLZJNK-NPMXOYFQSA-N 452.016 4.950 50 1 JJGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCCl)c(CCCl)c2c1 587617296 CWDSFJDMTIHSNT-UHFFFAOYSA-N 486.377 4.838 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587686206 SWXUKQOORLFGJG-ASSNKEHSSA-N 451.767 4.732 50 1 JJGF Cc1c2c(nn1C)[C@](CCCCCCCl)(c1ccccc1C(F)(F)F)N[C@H](C(=O)O)C2 962707497 IQCZFJCQWGRHMK-RXVVDRJESA-N 457.924 4.779 50 1 JJGF c1cc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)ccc1CN1CCOCC1 1857751127 FVBMLPSUVONWLN-UHFFFAOYSA-N 455.595 4.935 50 1 JJGF COc1cc2c(OCCBr)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 98084779 YHFUUSZCPVXTOH-UHFFFAOYSA-N 487.302 4.697 50 1 JJGF C/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 230459531 OIZZGKUEHIPVLP-BSUXEKDWSA-N 479.544 4.501 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 963260575 YMJKLNAYBBDQEP-SBUREZEXSA-N 489.440 4.554 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)cc1Br)[C@@H](C2)C3=O 587426743 POENXFQPMHIYOQ-SCLBCKFNSA-N 456.105 4.635 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O 587452629 RTYZJLFARGKNCP-TZPNTHKFSA-N 496.972 4.868 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCCO2 587537309 CSJFUNWESSKOFK-ZJSXRUAMSA-N 483.314 4.806 50 1 JJGF COc1cccc(OC)c1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674745 ZYGIFHFUOSJQBZ-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF C[C@@H]1CC2=C([C@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@]2(C1)c1ccc(F)cc1C[C@H]1CCCN12 963093875 BFJGEJOAGPJHDB-LFIQXZCFSA-N 485.559 4.962 50 1 JJGF Cc1cc([C@]2(CBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(F)cc1Cl 963239128 ZXEPWWIJBIUNHE-FPOVZHCZSA-N 463.734 4.573 50 1 JJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1ccc(NC(=O)c2ccccc2)cc1 963609738 OEIHKKRKHAYOKV-QUGAMOGWSA-N 450.966 4.973 50 1 JJGF COc1cc2c3c(c1)-c1c(ccc(OC)c1OC)C[C@H]3N(CCN(CCCl)CCCl)CC2 25967949 RTNDRYZYCUQJIF-OAQYLSRUSA-N 479.448 4.614 50 1 JJGF COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC 143640325 UONYAMWNGJIPBM-QHCPKHFHSA-N 468.488 4.914 50 1 JJGF CCOC(=O)[C@H](C)Oc1ccc(O[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 169302602 SGAKSKACISAWRD-XQRCVKRISA-N 476.566 4.604 50 1 JJGF CN1C(=O)CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587324960 BGFSFSTVCQJBPE-AOYPEHQESA-N 465.908 4.934 50 1 JJGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587416929 GKWMTEZVTKMUMC-PSUQPPDWSA-N 463.917 4.593 50 1 JJGF Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587673167 KZDDDTMONJVIPV-VOJFVSQTSA-N 472.152 4.978 50 1 JJGF CCCCCCCC[C@H](O)[C@H](Cl)CC=CC=C[C@@H](O)CC(=O)NC1=C[C@@](C)(CC)OC1=O 2356573268 HRCLCHPDQRHDBL-ICQAOKEUSA-N 470.050 4.684 50 1 JJGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=O)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O 2356761050 DEDBNJZUCABJGJ-HDGFEWIESA-N 456.579 4.832 50 1 JJGF CC(C)(Br)[C@@H](Br)CC[C@](C)(Br)[C@@H](Br)CO 195506525 KNNMIDQUZTUBJU-NRPADANISA-N 473.869 4.613 50 1 JJGF COC(=O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587372813 GJMOOYLZVYLHKS-GGAORHGYSA-N 460.910 4.802 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)CI)cc1)CC2=O 587472814 VMMMEQXMZGQDKI-OAQYLSRUSA-N 479.314 4.599 50 1 JJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539719 XWFQKKIEOJRMLS-NGYIFUPDSA-N 483.314 4.576 50 1 JJGF COc1cc2nc(Cl)nc(NCCCNC(=O)CCCC[C@H]3CCSS3)c2cc1OC 73139001 MCFOZDJLZMYCEJ-AWEZNQCLSA-N 485.075 4.933 50 1 JJGF COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)c1 102414477 RLHJVTWORBHNIE-ASDGIDEWSA-N 470.573 4.687 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 587672976 JHJCLPSCTXFVMR-MPBGBICISA-N 485.191 4.922 50 1 JJGF CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1cccc(C)c1 95597940 FAVCRYDLGKLUGA-JIKIWWBOSA-N 456.547 4.666 50 1 JJGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC 587499628 NVXCFMYEWBMWOG-QHCPKHFHSA-N 461.352 4.847 50 1 JJGF CCOCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOCC 29471342 OZTSOQTUKOMLCS-UHFFFAOYSA-N 476.664 4.799 50 1 JJGF C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCl 299829372 JNVLKAKJCGDWDX-JZHKGMGZSA-N 467.002 4.551 50 1 JJGF N#CC1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587546099 NSAUSCMOHBWLIP-OFNKIYASSA-N 462.255 4.812 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587685765 RPWZSCVIJBLSIX-FVINQWEUSA-N 457.771 4.726 50 1 JJGF COc1ccc(F)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587728497 FCHIOVPRSJYCEF-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 587729582 HLEDYECALLGQGZ-ABCOOTEDSA-N 489.154 4.743 50 1 JJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(Cl)ccn2)N1 963185653 RWMLKGYVHOETCR-BDJLRTHQSA-N 484.099 4.645 50 1 JJGF COc1c2c(c(O)c3c(=O)cc(-c4ccccc4)oc13)[C@@H](c1ccc(C)cc1)C(C#N)=C(N)O2 1911581591 LUXZBNQPDRJYLN-FQEVSTJZSA-N 452.466 4.701 50 1 JJGF CC[C@@H]1OC(C)(C)O[C@H]([C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@]1(C)O 2356695770 WLESBISKGZXAHE-SRDXBBKJSA-N 470.726 4.880 50 1 JJGF C=C(/C=C/C=C(/CO)[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 238766653 XVFORSWJIMCHND-NIGQXYGQSA-N 486.693 4.970 50 1 JJGF O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325937 ICQXYKDKHADMMP-VWNXMTODSA-N 474.315 4.794 50 1 JJGF O=C(CCCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328838 VYNGLPSACDLYCN-UKILVPOCSA-N 453.897 4.531 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587545938 TXGPOWRJQBXVBI-ANSMVEEYSA-N 463.917 4.786 50 1 JJGF Nc1cc(Br)ccc1[C@]1(CCCl)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691759 CVWIQPDMNRWQMU-WMZOPIPTSA-N 495.698 4.661 50 1 JJGF O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 587329471 XXTRAZWMYXHQSN-ZCYQVOJMSA-N 451.881 4.909 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)CC2=O 587465879 HRZMRUOHRPYROQ-RXVVDRJESA-N 451.288 4.583 50 1 JJGF COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587539527 WUNOSWOCCUCHSG-UGKGYDQZSA-N 486.274 4.561 50 1 JJGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587672327 ZVTRMJRGYBRWSJ-LIUKBUMOSA-N 485.191 4.913 50 1 JJGF COc1cc2c(cc1OC)[C@](CBr)(c1cc(-c3ccccc3)no1)N(C)[C@H](C)C2 962623297 IHRLPPNOSXTCIN-IQMFZBJNSA-N 457.368 4.874 50 1 JJGF CN(C)C(=O)c1c(SSc2c(C(=O)N(C)C)c3ccccc3n2C)n(C)c2ccccc12 13740084 IBCFESZMYOEIBK-UHFFFAOYSA-N 466.632 4.873 50 1 JJGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cccc(O)c1 45348651 LFNAHGXLBSKFOS-KBKYJPHKSA-N 464.831 4.976 50 1 JJGF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CBr)[C@@]4(C)CBr)[C@@H](C2)C3=O 587414061 RLAQVQKGVXRLLR-SJHJVOPXSA-N 470.201 4.778 50 1 JJGF CCOC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539039 UQIYVEXWIBVTEI-YKSBVNFPSA-N 483.314 4.821 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@@H]1C 587545280 QFZJUDFCNYTAPO-UVJUKZLASA-N 463.917 4.786 50 1 JJGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@](O)(C#CCCCBr)[C@@]3(C)CC[C@H]12 26004416 ACOOMDBVWCJRIF-QAGMZRMBSA-N 450.461 4.759 50 1 JJGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(-n3cccc3)cc21 58581684 SZMQQKBMQOFCFR-XHPQRKPJSA-N 492.535 4.828 50 1 JJGF COc1cccc(NC(=S)NNC(=O)c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)c1 1857566304 LXDOEDROAAJZEC-UHFFFAOYSA-N 479.949 4.697 50 1 JJGF COc1ccc(-c2nc(C(=O)NNc3nc(Cl)nc(Cl)n3)cc3c2[nH]c2ccccc23)cc1 1857652024 GVLAZFHNANJIAJ-UHFFFAOYSA-N 480.315 4.640 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCCO5)c1C)[C@@H](C2)C3=O 587416507 AKZLYWZUCMQCIY-RXFWQSSRSA-N 465.933 4.756 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c[nH]c2ncccc12 587537740 JVWXDRIOTNAJCE-GCJKJVERSA-N 451.276 4.521 50 1 JJGF COc1cc(C(=O)c2cc3cc(NC(=O)CBr)cc(OC)c3s2)cc(OC)c1OC 103233941 ASWWBLCNPUOCSB-UHFFFAOYSA-N 494.363 4.500 50 1 JJGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)c(Cl)cc41)[C@@H](C2)C3=O 587421859 NNQNPBVWKZKDKE-QYBDOPJKSA-N 494.330 4.762 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587673603 OQFQZKDCINGXBF-DPMMWBKBSA-N 477.212 4.836 50 1 JJGF O=C(O)C[C@H](Br)[C@@]1(c2cccs2)c2cccc(F)c2CCN1[C@H]1CCSC1 962718053 XMVQQZCHSLGLIN-QKMWGZLOSA-N 470.429 4.733 50 1 JJGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc(Br)cc(Br)c1 1857555137 ZIUNGBVDXLQELA-KPSZGOFPSA-N 466.944 4.988 50 1 JJGF O=C(N/N=C/c1ccc(O)cc1Br)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857652919 NMHXCRHRXYGBLO-BRJLIKDPSA-N 466.295 4.931 50 1 JJGF COc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccccc34)c3cc(OC)ccc32)cc1 82157658 NOCUKTNCQRYPBG-NUJZUDFISA-N 452.514 4.952 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(F)cc3)N(CCCl)CCCl)cc(O)c21 473083558 OMRFKMCBJYICCM-JOCHJYFZSA-N 488.342 4.881 50 1 JJGF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857544827 GHWZJVHIQCIJPK-MRXNPFEDSA-N 463.421 4.647 50 1 JJGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 103019301 VDGKOGKAKKJACD-PPGPUPIYSA-N 474.504 4.815 50 1 JJGF COc1ccc(OC)c(/C=N\NC(=O)c2cc(Cl)cc(C)c2NC(=O)c2cccnc2Cl)c1 103216264 FSLJAGCPYUHTQV-PPDIBHTLSA-N 487.343 4.730 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@@H]1c1ccc(F)cc1 587326051 JKRMELUFUVCABL-RCZVLFRGSA-N 467.880 4.981 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C[C@@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O 587418143 SAHBLSMDLWWRKQ-WXJXEWBDSA-N 479.960 4.835 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587686973 YCUBTVILRHZNTK-FKIZINRSSA-N 453.739 4.561 50 1 JJGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(-n3cccc3)cc21 58583605 DUYDSBMCQVVYBA-XHPQRKPJSA-N 492.535 4.828 50 1 JJGF COc1cccc(-c2cc([C@@H](OOC(C(C)=O)C(C)=O)C(C)=O)nc3c2oc2ccccc23)c1 587366704 YPHNAKILVOPILU-VWLOTQADSA-N 461.470 4.782 50 1 JJGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(F)cc1 587429484 VANLCWFNHVKXSX-CNRHCEAASA-N 454.929 4.836 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 587688713 NJXWFZNIPNHXKH-KWBKUZQRSA-N 461.766 4.854 50 1 JJGF C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)Cl 85558667 HRTWOYRCWPBHAL-DCAQKATOSA-N 497.703 4.813 50 1 JJGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C 96903515 FUXCBQGKUZMZDY-FBHDLOMBSA-N 465.145 4.563 50 1 JJGF O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 587621034 NRHSXBYLGLVBCG-UHFFFAOYSA-N 474.112 4.502 50 1 JJGF O=C1C[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587500921 VKHNFKYSCLONKL-RUZDIDTESA-N 482.374 4.741 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587681375 KQKVWPBCZZEPDC-PRRBCFSJSA-N 475.196 4.602 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 587686173 SLJNAWLGEDKYTO-GIGQVBGESA-N 464.132 4.928 50 1 JJGF COc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\NC(=O)c2ccc(O)cc2)c(OC)c1 103284867 MIVXEUXMEZMVSZ-PNHLSOANSA-N 481.961 4.828 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)cc1Br)[C@@H](C2)C3=O 587426745 POENXFQPMHIYOQ-UGSOOPFHSA-N 456.105 4.635 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587685541 UGZVGJOHVVRUEN-CILWKZBWSA-N 492.227 4.722 50 1 JJGF N#CC1=C(N)OC(c2ccccn2)=C([S@@](=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 1857639965 NFMKLQHJRCNTTO-BPJXYHRLSA-N 478.917 4.627 50 1 JJGF Cn1cncc1CN(CC(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1)Cc1ccccc1 13489031 HULVWMBWKCJTKV-UHFFFAOYSA-N 475.596 4.785 50 1 JJGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)[nH]c2c(OC)c1OC 35936443 XIPBDZHZINVYOH-OAHLLOKOSA-N 490.947 4.784 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Nc3ccc(I)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42784484 HCPJGSVVEZKQAR-SZMJOESGSA-N 485.362 4.911 50 1 JJGF O=C(COc1ccc(Cl)c(Cl)c1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285278 FDHPQZVESYHTLL-UHFFFAOYSA-N 460.386 4.735 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 587322124 LLIGUXCPNKABCT-FYYLOGMGSA-N 471.278 4.909 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 169289998 ACOOMDBVWCJRIF-PLOVCHRTSA-N 450.461 4.759 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C 238785522 YGBUJACBKXHYOB-ROCDYNMPSA-N 474.594 4.794 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl 257501477 OFHJKWNSOIQOPB-XBZCDCFNSA-N 462.970 4.875 50 1 JJGF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 587372917 NWXIMMCRJXQVKA-RMKBEBRYSA-N 460.917 4.596 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685645 RCXLEWSNNMMPMP-XUSGNXJCSA-N 451.767 4.514 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)F)N1 587706183 OTYDEIAITQZAAK-ULHQUTTKSA-N 483.923 4.996 50 1 JJGF O=C(NNC(=O)c1cc(-c2cccnc2)cc(C(F)(F)F)c1)Nc1ccc(CN2CCCC2)cc1 1772634543 HVOWYJAWYCTASD-UHFFFAOYSA-N 483.494 4.830 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587685475 TUVZZYMKJDJZFY-WQZPPZBRSA-N 455.165 4.694 50 1 JJGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 962639608 VIJYARSFGNHERC-TZIWHRDSSA-N 484.312 4.701 50 1 JJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1ccc(NC(=O)c2ccccc2)cc1 963609739 OEIHKKRKHAYOKV-WGDIFIGCSA-N 450.966 4.973 50 1 JJGF Cc1ccc(N(C)NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)[nH]nc3c2)nn1 1772629837 QEIUJJJJRZSHSS-WYMLVPIESA-N 476.544 4.752 50 1 JJGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 1653941 NUGMNCLGYDTDOA-KRWDZBQOSA-N 462.981 4.827 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587673453 MWLCTDPNOFZNLV-JEOXALJRSA-N 471.164 4.548 50 1 JJGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641857 QJWWFMWVOXOJBS-KCJDHBRGSA-N 478.692 4.865 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 963185541 RNOOCZHKZFPDJK-VBKZILBWSA-N 476.278 4.601 50 1 JJGF CC(C)CN(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1nc(C#N)ncc1Br 58541006 JQZUSJLTDHEHNM-UHFFFAOYSA-N 474.746 4.832 50 1 JJGF CC(C)(Br)[C@H](Br)CC[C@](C)(Br)[C@@H](Br)CO 195506528 KNNMIDQUZTUBJU-WEDXCCLWSA-N 473.869 4.613 50 1 JJGF O=C(O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587320089 DPLHORAYBOHPCJ-REWPJTCUSA-N 471.278 4.879 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587846870 JBJURPXRNNYMII-ZDCWMAILSA-N 459.812 4.691 50 1 JJGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CC2(COC2)C1 1772614268 OTHCETQYPGZUHT-UHFFFAOYSA-N 481.633 4.882 50 1 JJGF N#CC1=C(c2cccc3ccccc23)CN(C(=O)Cc2cncn2Cc2ccc(C#N)cc2)CC1 13489043 KXPIURLUHSBSHE-UHFFFAOYSA-N 457.537 4.708 50 1 JJGF in-vitro CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375736 NUVUSFVNDSDZPJ-JXALWOEJSA-N 489.952 4.980 50 1 JJGF COc1ccc(C[C@@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963183043 IMLUMHYDQYTKNB-BEFAXECRSA-N 492.719 4.799 50 1 JJGF COc1cc(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1OCCSSCCN 1772615929 FJZRVTBENKLHMM-UHFFFAOYSA-N 497.126 4.594 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2C([C@H](C)Br)([C@H](C)Br)N1 587671450 SBUXJDOMXWGBLD-CIUDSAMLSA-N 458.007 4.885 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587684948 NDSMIJYGIREGKB-SBKAZYGRSA-N 457.771 4.726 50 1 JJGF CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587685909 SAFSRKVGSPLUFC-WHEQGISXSA-N 465.794 4.904 50 1 JJGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@@H]2CC[C@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800318 PXTLHRBOGNFPRG-KSSYENDESA-N 487.280 4.656 50 1 JJGF NCCOCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587246000 JBPPUZCUSHKUML-UHFFFAOYSA-N 454.259 4.517 50 1 JJGF O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)cc2N1 587568946 GMKGMAQYNZNVDG-URXFXBBRSA-N 453.853 4.512 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 587686163 SLJNAWLGEDKYTO-APBUJDDRSA-N 464.132 4.928 50 1 JJGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CBr)C1(c2ccccc2)CC1 963155564 YTHNQKMQNORSNP-KSFYIVLOSA-N 493.423 4.712 50 1 JJGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 963228285 RINSHRGGDIULKK-RSXGOPAZSA-N 473.916 4.891 50 1 JJGF CO[C@](C(=O)OCC=C(C)[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@@]2(C)OO1)(c1ccccc1)C(F)(F)F 2356511234 CNUUNKCYGCRKQX-TWXAQOBRSA-N 482.495 4.841 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101203087 NYJRVVZQFCMWJL-DSUPAJHVSA-N 464.530 4.956 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 587672978 JHJCLPSCTXFVMR-YUNKPMOVSA-N 485.191 4.922 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c[nH]c3ncccc23)N1 587673216 LLBOLHJQCGDCAX-YPMLDQLKSA-N 453.153 4.637 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1CBr 587874767 GEBZCMJVALUFHF-UHFFFAOYSA-N 456.123 4.507 50 1 JJGF CC(C)=CCC=C(C)C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356596178 BMPGBLDSYWACKF-RULDIGERSA-N 486.693 4.970 50 1 JJGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC=C([C@@H]2C(C=O)=C3C[C@H](O)CC[C@]3(C)[C@H]2C=O)[C@]1(C)C(=O)O 2356703049 JOTHWTICYBJQAR-FGHIFULYSA-N 456.623 5.000 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)([C@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O 587452627 RTYZJLFARGKNCP-QLODZENZSA-N 496.972 4.868 50 1 JJGF COc1cc(Br)cc2c1OC(N)=C(C#N)[C@@H]2CC(=O)c1ccc(Br)cc1 1857653918 CRDYCMHFCIEIIN-CYBMUJFWSA-N 478.140 4.663 50 1 JJGF C[C@H]1C[C@H](C)C[C@@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)C/C=C/C=C(\C#N)[C@@H](O)[C@@H](C)C1 73351199 OJCKRNPLOZHAOU-LZDLXXSSSA-N 489.653 4.636 50 1 JJGF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 587673018 JNONSIPXDROKBT-WYRIXSBYSA-N 470.180 4.719 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962713417 REEIFPPTDSXDAV-QMHKHESXSA-N 451.007 4.793 50 1 JJGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc(OCCBr)cc2)N1 963185739 PZUUGNJLDPHPIH-IRXDYDNUSA-N 478.692 4.821 50 1 JJGF Cc1ccc2c(c1)C(=O)N(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 137733520 NVGWLGWUZPWTLK-UHFFFAOYSA-N 450.498 4.585 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 587372379 KUVRAHUCFBYDBR-RMKBEBRYSA-N 460.917 4.596 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)O2 587372390 KWNQKXGRIHWOJZ-VWNXMTODSA-N 465.893 4.592 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375743 NUVUSFVNDSDZPJ-SKPFHBQLSA-N 489.952 4.980 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1[N+](=O)[O-] 587539709 XPKNXCOUEUJRAD-WIYYLYMNSA-N 456.248 4.552 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 587673926 RQCRSHRJIZFGNX-NSPYISDASA-N 470.180 4.719 50 1 JJGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC 587499627 NVXCFMYEWBMWOG-HSZRJFAPSA-N 461.352 4.847 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)cc1[N+](=O)[O-] 587875671 ZJPMWKAZJIXRLN-UHFFFAOYSA-N 456.123 4.507 50 1 JJGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1C 962949148 BOFALVSNRJCYEE-QFIPXVFZSA-N 470.919 4.571 50 1 JJGF COc1ccc(NC(=S)NNC(=O)c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)cc1 1857581923 CJVYZIYCASBJMV-UHFFFAOYSA-N 479.949 4.697 50 1 JJGF C[C@@H]1[C@@]2(CO)CC[C@H]3C4=C5CCC[C@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356492748 CGKJNYJXGOLYNH-ABXKTBAOSA-N 489.751 4.519 50 1 JJGF 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=O)[C@@]3(C)CC[C@H]21 169293733 AWDPTRZXHHZHKD-IAHQSFKHSA-N 470.606 4.921 50 1 JJGF CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2CNC(=O)[C@]23CCC(=O)N3Cc2ccccc2)cc1 195501062 YGBZDELKCFINNB-NVQXNPDNSA-N 450.655 4.845 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CBr)[C@@]3(C)CBr)O2 587375856 VNKQNKVSMWTRQL-NVAWSTJUSA-N 457.206 4.877 50 1 JJGF COCCOc1nc(-c2ccc(-c3ccccc3)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 653880693 XLKPWRKCMWHZQT-UHFFFAOYSA-N 462.937 4.804 50 1 JJGF Cc1c(C)c2ccc(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)cc2oc1=O 1857630606 XPTUBXJTCIXUEW-CBLLBWLESA-N 456.535 4.997 50 1 JJGF CC1=NC(SCC(N)=O)=C(C#N)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)OCc1ccccc1 100086778 PELNTQLNHLERKP-DVSFFSCISA-N 453.951 4.838 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cn2cc(N=C=S)cn2)cc1 587896846 QGFCPPIRXUMKBK-UHFFFAOYSA-N 455.370 4.683 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNC(=O)Nc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98082006 GPLFOAZBBPNDEK-YOGGEQNGSA-N 480.989 4.686 50 1 JJGF O=C(N/N=C/c1cn(Cc2cc(-c3ccccc3)cnc2Cl)nn1)c1ccc(C(F)(F)F)cc1 299865824 UQVMLBYTUJANBH-XKJRVUDJSA-N 484.869 4.825 50 1 JJGF Cc1cc(C)c(C(=O)CBr)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587874638 DMDIKXFQRPMNAV-UHFFFAOYSA-N 467.190 4.898 50 1 JJGF C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921981 POGRDTUUAXVGKI-VNANDLDISA-N 459.876 4.933 50 1 JJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cc(Cl)ccn2)N1 963185655 RWMLKGYVHOETCR-BZNIZROVSA-N 484.099 4.645 50 1 JJGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587321573 DMEFEWVBHOGIBT-UDSSINMLSA-N 477.326 4.756 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587419420 FZRKENBZLUQVKS-IFXJQAMLSA-N 457.242 4.760 50 1 JJGF CCOc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962633223 GGYFVOUIXTZGIZ-OUTSHDOLSA-N 452.554 4.551 50 1 JJGF CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587672017 CJIQDJFSOFGRBE-WYRIXSBYSA-N 470.180 4.719 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587859119 VTNINBGHQUPXQG-DGIBIBHMSA-N 455.780 4.649 50 1 JJGF C[C@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970268 FTOTWPSXTNZMIE-KRWDZBQOSA-N 457.455 4.830 50 1 JJGF CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587672016 CJIQDJFSOFGRBE-WLRWDXFRSA-N 470.180 4.719 50 1 JJGF CC(C)[C@@H]1C[C@H](OO)C=C2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr 42852276 BDSVYFLMKBMVBZ-OQXMJJEBSA-N 496.280 4.524 50 1 JJGF COc1ccc([C@H](CCC(=O)O)O[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 100783606 ARXRTBLAHCPUGY-HLZVGTAASA-N 476.566 4.826 50 1 JJGF Nc1ncnc2c1c(-c1ccc(I)cc1)nn2C[C@@H](Cl)c1ccccc1 1857552490 CYWWUJXNIAAMES-OAHLLOKOSA-N 475.721 4.660 50 1 JJGF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972769 BELURPQFCQFQGB-AWEZNQCLSA-N 450.402 4.688 50 1 JJGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587321431 DMEFEWVBHOGIBT-GXJJEBCYSA-N 477.326 4.756 50 1 JJGF CCCCCCCC[C@@H]1CC2=C(C[C@H](CCCC=CCO)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356323677 DNJJFLDGXGVLGN-RBUKOAKNSA-N 490.593 4.718 50 1 JJGF C=C(C=CC=C(CO)[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 2356574380 XVFORSWJIMCHND-PCPRHZMTSA-N 486.693 4.970 50 1 JJGF CCC(=O)O[C@]1(C(=O)SCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 27206716 KEBRAKZUHCBZJX-VTFYZQLFSA-N 485.017 4.505 50 1 JJGF O=C(CCCC[C@H]1CCSS1)NCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40880221 VRAHJBQLGGBZGL-QEQSUZCXSA-N 465.088 4.757 50 1 JJGF CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 53297793 PRNPRCLDEVRYNN-BJKOFHAPSA-N 471.948 4.987 50 1 JJGF COc1ccc(C(=O)OCCCCC#Cc2ccc(C(=O)OC3CSSC3)cc2)cc1 299871374 YHHDGRQPZAIHTE-UHFFFAOYSA-N 456.585 4.994 50 1 JJGF C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325424 FMJRWFLTMWHHOH-ILBGXUMGSA-N 483.879 4.712 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587542575 HMQJKIJZUQDBMJ-HGDLERNZSA-N 455.894 4.608 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](Br)C2 587682062 MJECLRPBNIAZBI-UTFCXKJZSA-N 455.165 4.694 50 1 JJGF COc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587717775 LQHWCUCIANFIBD-DYBLOJMWSA-N 477.143 4.614 50 1 JJGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@H]2CC[C@@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800321 PXTLHRBOGNFPRG-RXGFPQBGSA-N 487.280 4.656 50 1 JJGF COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)ccc1OCc1cccnc1 115596915 AJXJZRKDVKWOBC-MUFRIFMGSA-N 456.546 4.781 50 1 JJGF COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587546578 WVRKHGGPPUUFKQ-BVAGGSTKSA-N 483.948 4.860 50 1 JJGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC=C([C@@H]2C(C=O)=C3C[C@H](O)CC[C@]3(C)[C@@H]2C=O)[C@]1(C)C(=O)O 2356703052 JOTHWTICYBJQAR-WMGSVQTKSA-N 456.623 5.000 50 1 JJGF N#C/C(=C\c1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587187071 CPUHYDPAKSWCFU-QGOAFFKASA-N 487.502 4.550 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2 587372540 MJGUKKPAUUCPEZ-WXTAPIANSA-N 466.965 4.935 50 1 JJGF CCCCCC[C@H](Br)[C@H](O)C(Br)(Br)Br 225750836 RQSSBBQRYRBNJG-YUMQZZPRSA-N 459.842 4.920 50 1 JJGF CC/C=C/C[C@H](Br)[C@H](C[C@H]1O[C@@H](C=C=CBr)C[C@H]1OC(C)=O)OC(C)=O 238765049 JRQQPVJNDFEESP-OGCZNOPDSA-N 494.220 4.581 50 1 JJGF C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O 261171236 SZGQTKQSDGZCFY-ONUGDARGSA-N 453.804 4.720 50 1 JJGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586970922 IOJQXEPTGHBPGJ-INIZCTEOSA-N 472.792 4.878 50 1 JJGF CCOC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674455 WSRMVBCTTVMFDF-FKIZINRSSA-N 485.191 4.938 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 963269919 MQSSRHBTLVPJTC-IYJVBRSBSA-N 481.379 4.896 50 1 JJGF COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(OC)c(OC)c(OC)c3)C3=C2C(=O)CC(C)(C)C3)cc1 45260579 VNBTWVAFQRZRDL-XMMPIXPASA-N 489.572 4.662 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 587672131 YERGZUPMYUUPIA-KOXAJKMWSA-N 471.164 4.604 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587674289 VUZULNPMVTVAKQ-SPLOXXLWSA-N 498.234 4.598 50 1 JJGF CCc1ccc([C@]2([C@H](C)Cl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963156098 ZVWKUCXAICSDRX-YOKWENHESA-N 450.988 4.823 50 1 JJGF CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1cccc(C)c1 95597939 FAVCRYDLGKLUGA-SIWPHUPXSA-N 456.547 4.666 50 1 JJGF CN(C)CCSSCCC(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 169324338 SSTMQKOHFHMVOP-UHFFFAOYSA-N 471.010 4.502 50 1 JJGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641853 QJWWFMWVOXOJBS-DGVXXNCNSA-N 478.692 4.865 50 1 JJGF CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)NN)cc3)c(=O)c3ccccc23)c(O)c1 587661546 SLKKHBRXKOLJIH-UHFFFAOYSA-N 499.615 4.768 50 1 JJGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@H]2CC[C@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800319 PXTLHRBOGNFPRG-NZEXEKPDSA-N 487.280 4.656 50 1 JJGF O=CN1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587327602 QFHNVBRNMMWCDI-ILBGXUMGSA-N 451.881 4.543 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(Cc4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O 587417483 MXLSNWAATJBKSC-RXFWQSSRSA-N 465.933 4.772 50 1 JJGF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr 587674613 YCMJRMJZJCTIDS-JEOXALJRSA-N 473.180 4.994 50 1 JJGF COc1cc2c(cc1OC)[C@@]1(CCOC[C@@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670793 GODPVLUEMDKJJG-RBBKRZOGSA-N 469.887 4.644 50 1 JJGF CC(C)=CCC=C(C)C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356596176 BMPGBLDSYWACKF-PCPRHZMTSA-N 486.693 4.970 50 1 JJGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(S(=O)(=O)c2ccccc2)cc1 59034400 FYOJNSKFVQAZLA-MRCUWXFGSA-N 472.444 4.970 50 1 JJGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587321574 DMEFEWVBHOGIBT-YPIYEQTHSA-N 477.326 4.756 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587859122 VTNINBGHQUPXQG-OVWNDWIMSA-N 455.780 4.649 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587673605 OQFQZKDCINGXBF-QQGDVQBRSA-N 477.212 4.836 50 1 JJGF COc1ccc(OC)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587674284 VUJRXEMEOHSJGR-NSPYISDASA-N 473.180 4.778 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587849817 WBWHAPCZXNJWBL-XYZCENFISA-N 477.193 4.609 50 1 JJGF CCOC(=O)[C@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894432 JMALBBBALGSNGH-HXUWFJFHSA-N 456.728 4.686 50 1 JJGF CCOc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962633221 GGYFVOUIXTZGIZ-FUFSCUOVSA-N 452.554 4.551 50 1 JJGF O=C(NCc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27629594 IDRHZCYQHDFSQQ-UHFFFAOYSA-N 451.704 4.542 50 1 JJGF O=C1CCc2cc([C@]3(CBr)c4cccc(F)c4CCN3[C@@H]3CCSC3)c(F)cc2N1 962723254 YWNUUEYIEGTVKC-CMJOXMDJSA-N 493.417 4.852 50 1 JJGF CC(C)CN(NC(=O)c1ccc(-c2ccccc2)s1)c1nc(C#N)ncc1Br 58541813 XPDUNAZTFSYDPK-UHFFFAOYSA-N 456.369 4.647 50 1 JJGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2[nH]1 95562305 QHYADURVXKNIPR-ZVBGSRNCSA-N 451.118 4.553 50 1 JJGF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1Br)CC2=O 587459793 PTQVOXDTZMKPOH-FIRDEBMASA-N 468.388 4.889 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 587674278 VSJRQUHWELMBGO-YUNKPMOVSA-N 485.191 4.922 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@@H]1c1ccc(F)cc1 587332137 JEJFJZASMGOHLF-ISKFKSNPSA-N 467.859 4.744 50 1 JJGF CCCc1c(O)ccc2c1O[C@@]([C@@H](C(=O)OCC)c1nc(C)cs1)([C@@H](C)Cl)CC2=O 587496333 WFBDFWZNIBYEPS-FIRDEBMASA-N 451.972 4.788 50 1 JJGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Br)[C@@H]1c1ccccc1 254134196 VQOLLBMSCRRQPS-UKYAFMKFSA-N 460.368 4.652 50 1 JJGF COc1cccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587724870 MCKXGGFTMVJWLE-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](c2ccco2)C(C#N)=C(N)O1 587746029 LBJMIMAVEVOLEZ-GTYBCOGASA-N 458.331 4.712 50 1 JJGF Nc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)oc2nc(-c3ccccc3)cc(-c3ccco3)c12 957682764 PFAZEXHMXAYFKB-UHFFFAOYSA-N 466.453 4.830 50 1 JJGF Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(=O)O)cc3)n2C2CCCCC2)cc1 33772173 YJRFXPAEQOSTDL-YSMPRRRNSA-N 477.590 4.699 50 1 JJGF COc1cccc(OC)c1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674743 ZYGIFHFUOSJQBZ-JEOXALJRSA-N 473.180 4.778 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375742 NUVUSFVNDSDZPJ-NMMYMHLASA-N 489.952 4.980 50 1 JJGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(F)cc1 587429483 VANLCWFNHVKXSX-BXXQNAGZSA-N 454.929 4.836 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C 587681797 AVUTVQNCOVXHIR-MZFXBISCSA-N 465.794 4.902 50 1 JJGF Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc([S@](=O)C(F)(F)[C@H](F)Cl)c1C 31500351 FAZPLAWGIZEIEN-BEIWTESXSA-N 468.831 4.778 50 1 JJGF COc1cc(/C=N/NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc(Br)c1O 84588013 SICGCFHMBJPFIR-AUEPDCJTSA-N 479.714 4.753 50 1 JJGF Oc1c(Cl)c(/N=C/CC2C[C@H](Br)C(O)[C@H](Br)C2)c(O)c2ncccc12 169717679 CXAUIZABWQKNMD-RTXWLNDNSA-N 492.595 4.690 50 1 JJGF COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587539524 WUNOSWOCCUCHSG-DENIHFKCSA-N 486.274 4.561 50 1 JJGF C=C1C[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]2(C)[C@@]1(O)C(C)=O 1857581263 SZGQTKQSDGZCFY-VTXFVTNYSA-N 453.804 4.720 50 1 JJGF C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970237 MZUOQFGGAUAOSF-KRWDZBQOSA-N 475.832 4.770 50 1 JJGF CCc1cc2c3c(cc[n+]2nc1CC)c1ccc(OC)cc1n3CCCI 299844750 XRXVWHGGCGQRRZ-UHFFFAOYSA-N 474.366 4.887 50 1 JJGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)CC2=O 587455624 FAEVNOHUFHEQGP-NPMABZOXSA-N 458.352 4.874 50 1 JJGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537551 HNMFWNYROBHQTM-BNXMZRKRSA-N 469.287 4.761 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673412 MQKNGHROAUUXRS-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF CCOC(=O)C1=NN(c2ccc(Cl)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1 40602306 LNMXCEXIMSRPGV-PGMHBOJBSA-N 450.907 4.869 50 1 JJGF O=C(O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324191 XABKVFYKLSIVGO-NFBKMPQASA-N 471.278 4.879 50 1 JJGF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CBr)[C@@]4(C)CBr)[C@@H](C2)C3=O 587414063 RLAQVQKGVXRLLR-VPTUFLRFSA-N 470.201 4.778 50 1 JJGF O=C1CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587539330 VOLQKFZBKPETEF-QPPBQGQZSA-N 480.314 4.529 50 1 JJGF Cc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962894220 HWMBKWSIWWINQR-NZJKTDFXSA-N 451.925 4.775 50 1 JJGF NC(=O)NNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)CC(=O)c1ccc(Cl)cc1 28712362 IINITPNCRWNRDC-HMMYKYKNSA-N 499.958 4.549 50 1 JJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1cccc(F)c1Br 963635727 OCQQHEKSVAYIJN-JEOXALJRSA-N 473.180 4.778 50 1 JJGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(F)cc3F)c(-c3ccc(F)cc3)c2C)ccc1O 473087938 GTLHJDQLHVAMIK-VFLNYLIXSA-N 480.446 4.743 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 587735189 WYXPADKBCVGOLJ-RSXSOOJNSA-N 489.154 4.743 50 1 JJGF CC(C)(CCl)C(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587882219 PSTVQGFCDLSFMI-UHFFFAOYSA-N 451.781 4.907 50 1 JJGF CC(C)C[C@@H](NC(=O)[C@](C)(CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650924 XIPJWXBPVPSNSU-OFNKIYASSA-N 492.401 4.840 50 1 JJGF O=C(N/N=C(\C=C\c1ccc(O)cc1)c1cc(O)ccc1O)Nc1ccc(Br)cc1 103210469 ZEICSUZXNXEOII-CGGXSEMNSA-N 468.307 4.805 50 1 JJGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 473148663 GTLRRPLBHAZYJG-UHFFFAOYSA-N 458.150 4.775 50 1 JJGF O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614127 REWHAGLWMBUZEH-RRMPHLOHSA-N 475.316 4.549 50 1 JJGF CCCN1[C@H](C)Cc2ccccc2[C@@]12/C(=C(/C)NNC(=O)c1ccccc1)C(=O)c1ccccc12 963239751 JFZOPOBFPDLRAH-SBIBEGBFSA-N 465.597 4.992 50 1 JJGF Cc1cc(/C=C(\C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056967 QTPYRQRUXGXRST-XNTDXEJSSA-N 486.384 4.989 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587456286 MBQAJBXPMTUCGO-FQEVSTJZSA-N 450.285 4.517 50 1 JJGF O=C1C[C@@H](C(Br)(Br)CBr)Oc2c1ccc1c2CCCC1 587499785 OVYYEZJIFHVKKJ-ZDUSSCGKSA-N 466.995 4.780 50 1 JJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587669543 DZWVZKVLENQWBH-CCMJGWDWSA-N 485.191 4.693 50 1 JJGF CN(C)CCSSCCNC(=O)[C@@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C 618008210 BXVHMXGJPKXTDI-NRFANRHFSA-N 469.676 4.594 50 1 JJGF Cc1cc([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1CCc1ccc(F)cc1 962928090 GNPRSRPQPBQVPJ-HHHXNRCGSA-N 468.016 4.817 50 1 JJGF CC(=N\NC(=O)c1oc2ccccc2c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 49032077 VFWGRJZIKURBTO-WPESQJOVSA-N 462.510 4.667 50 1 JJGF C=C[C@@](C)(O)[C@H](C[C@@H]1C(=C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)[C@@H](Br)CC[C@]12C)OC(C)=O 238739500 HPFWMQVWLKRZSO-WYSAOPPGSA-N 485.459 4.959 50 1 JJGF CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673075 KAGNPHLHSXHKCY-ADLMAVQZSA-N 465.201 4.692 50 1 JJGF CCCN1[C@H](C)Cc2ccccc2[C@@]12/C(=C(\C)NNC(=O)c1ccccc1)C(=O)c1ccccc12 963239756 JFZOPOBFPDLRAH-WMYBIUJXSA-N 465.597 4.992 50 1 JJGF COc1cc(/C=N/NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439088 RQGINDWJDGDQGD-MZJWZYIUSA-N 493.516 4.784 50 1 JJGF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1Br)CC2=O 587459796 PTQVOXDTZMKPOH-PFDOBSCMSA-N 468.388 4.889 50 1 JJGF Cc1ccc([C@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1C 962648655 WIXNHQYLIYPFSV-DNQXCXABSA-N 453.380 4.589 50 1 JJGF C[C@@H]1CC2=C([C@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@]2(C1)c1ccc(F)cc1C[C@@H]1CCCN12 963093894 BFJGEJOAGPJHDB-UFWMHQGESA-N 485.559 4.962 50 1 JJGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587324362 QLVDLRQCBOEPFD-SFYKDHMMSA-N 492.341 4.643 50 1 JJGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537282 CHVSEJUCGWAGTP-ZILOHOTNSA-N 483.314 4.796 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587725513 QRDHOPZRBRRUBS-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=CC=C[C@H](C)[C@@H](C)CC)CC[C@@H]2C(=O)O 2356798462 PHXQNFSQKWPZCY-LWLCPKBRSA-N 456.579 4.854 50 1 JJGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 13779124 MEHOMHOXHFJNRO-UHFFFAOYSA-N 463.925 4.975 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)([C@@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O 587452630 RTYZJLFARGKNCP-XOWTYJCDSA-N 496.972 4.868 50 1 JJGF COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689846 XDDSZPRAGHFKPX-GTJPDFRWSA-N 471.798 4.586 50 1 JJGF CC(C)[C@@H](I)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F 58569568 WBGGDMQSCCCVLP-DOTOQJQBSA-N 462.253 4.577 50 1 JJGF C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C 118932787 VTIRLZJHXPPVJA-URMCZULXSA-N 477.041 4.503 50 1 JJGF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587413746 JKYIBXPJXCBZRP-WBUIGNHESA-N 452.142 4.884 50 1 JJGF CN(C)CCSSCCN(C)C(=O)[C@@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C 618009817 KOAFKCBXXHQYOS-QFIPXVFZSA-N 483.703 4.936 50 1 JJGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H](O)C[C@@H]2C[C@@H](C=C=CBr)C[C@@H]2O1 2356450026 GHNBYHYHPRVNAS-FKKXHAQDSA-N 487.070 4.922 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587674254 VKBMSGCOKZYVOZ-QGHHPUGFSA-N 458.125 4.669 50 1 JJGF O=C1/C(=C/c2ccc(F)c(F)c2)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccc(F)c(F)c1 1911574748 XCCSVUAMROKWBZ-ACFHMISVSA-N 458.238 4.925 50 1 JJGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587374298 VSMGECWPAYYKEP-RUZDIDTESA-N 452.938 4.871 50 1 JJGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCl)(Cc2cccc(Br)c2)N1 962632572 JAABMZXJPWOOHG-SJLPKXTDSA-N 478.692 4.623 50 1 JJGF COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cc(OC)c(OC)c(OC)c2)C2=C1C(=O)CC(C)(C)C2 45321142 ZNOPIMRVQVLPIV-XMMPIXPASA-N 489.572 4.662 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319698 CQSGMSWZPFIRSI-URXFXBBRSA-N 485.305 4.967 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1[N+](=O)[O-] 587539708 XPKNXCOUEUJRAD-RXVVDRJESA-N 456.248 4.552 50 1 JJGF O=[N+]([O-])c1ccc(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)s1 14279235 SOAKTIROLUOYTD-UHFFFAOYSA-N 487.173 4.840 50 1 JJGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 40447680 OUOFFBNPZIVGHE-OORATULHSA-N 451.504 4.544 50 1 JJGF CCOC(=O)c1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673654 OYBBWUJAXMMOIO-YUNKPMOVSA-N 485.191 4.938 50 1 JJGF Cc1noc(-c2ccc(-c3cc(C#N)cc([C@@]4(C(C)C)C(C#N)=C(N)Oc5n[nH]c(C)c54)c3)s2)n1 1772630346 SXRJRPVKNPAZAV-VWLOTQADSA-N 483.557 4.705 50 1 JJGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3Cl)ccc21 1857760563 YUVNYENYNAULJW-HHHXNRCGSA-N 495.982 4.670 50 1 JJGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 2356874573 YXAXVZCQERJFJA-DADNWDEHSA-N 484.677 4.987 50 1 JJGF CN(C)c1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(Br)cc4)cn23)cc1 28708092 LOGHDGSSPCWWMS-WYMPLXKRSA-N 482.407 4.584 50 1 JJGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541457 BLXKBFOTVAHSNU-KHCICDEESA-N 459.926 4.731 50 1 JJGF CC1(C)C[C@](O)(C[C@@H]2CC[C@]34[C@@H](O)O[C@](C)(CC[C@H]3Br)[C@H]24)CC[C@H]1Br 2356416505 WDJJPAMUJVXVLI-RIIDIWONSA-N 480.281 4.758 50 1 JJGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C/[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 40860760 KFNRVRQZGWBRJR-ZKSLWRPXSA-N 456.579 4.854 50 1 JJGF COc1ccc2[nH]c(Sc3ccc4c(c3)[C@@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(N)O4)nc2c1 64448205 YLVKTZYDXLCWNQ-JOCHJYFZSA-N 471.498 4.849 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 587678249 CCFWIPKAXHZSCR-GIGQVBGESA-N 464.132 4.928 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](Br)C2 587680233 HZIKZNSCDXINAW-KEMVTONXSA-N 455.165 4.694 50 1 JJGF N#Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nn2Cc2ccc(Cl)nc2)cc1 73296342 KDTDEMBZBMESGV-IPPBACCNSA-N 475.339 4.936 50 1 JJGF O=C(O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587320082 DPLHORAYBOHPCJ-NZQKXSOJSA-N 471.278 4.879 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587673457 MWZBOMYHHBEAML-DPMMWBKBSA-N 477.212 4.836 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587851721 IUWFFNHPWLNWOH-XAILHKCVSA-N 475.811 4.668 50 1 JJGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1nc(-c2cc3ccccc3oc2=O)cs1 1857638238 DBCVETGEECJHRM-LIMNOBDPSA-N 460.298 4.693 50 1 JJGF COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 103286920 KUXBMONJIHWJET-CWTOASCOSA-N 484.600 4.874 50 1 JJGF O=C1C[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587500925 VKHNFKYSCLONKL-VWLOTQADSA-N 482.374 4.741 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)Br)N1 587669812 FVXDFOGPCRFEAW-XLKFXECMSA-N 458.007 4.886 50 1 JJGF O=C(CNC(=O)c1ccccc1/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 1772637210 FAMOVEOZQKXBMS-TYBVMAERSA-N 453.329 4.624 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587686259 TUUNYJRJAJWJQG-XSXHMXBXSA-N 461.803 4.956 50 1 JJGF COc1ccc(F)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734756 VNJOFMQVUMVTFD-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848965 QHBBNNPGSNLCEP-XYZCENFISA-N 477.193 4.609 50 1 JJGF N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1/Nc2ccccc2S1 49049432 YPQUBSLMSYKZOE-NEKNZLMSSA-N 490.544 4.703 50 1 JJGF COc1ccc(N/C=N/C2=C(C#N)[C@@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313219 JDUQRIATYJXOKC-IZZNHLLZSA-N 484.604 4.830 50 1 JJGF CNS(=O)(=O)N1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 586954525 JOLLSBLQPTWSGN-UHFFFAOYSA-N 499.325 4.626 50 1 JJGF COc1ccc2c(c1OC)[C@](CBr)(c1ccccc1OCC(F)F)N(C)[C@H](C)C2 962618045 BHHCLDAYSVMIBQ-PEBXRYMYSA-N 470.354 4.863 50 1 JJGF CC(C)c1nn(C)c2c1[C@@](CCCCCl)(c1ccc(I)cc1)NCC2 962914246 SEEXOXQNNLHNEL-HXUWFJFHSA-N 471.814 4.947 50 1 JJGF N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370517 XQXNSIHQSHYMGX-JTHBVZDNSA-N 450.447 4.908 50 1 JJGF C[C@H](Br)C1([C@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537852 LBWFKAAGIDRFGB-PGUXBMHVSA-N 456.130 4.659 50 1 JJGF CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CF)O1 2356343285 OGZHZYVCWDUIJV-SCNHQGDISA-N 489.386 4.860 50 1 JJGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H](O)C[C@@H]2C[C@H](C=C=CBr)C[C@@H]2O1 2356450028 GHNBYHYHPRVNAS-JBVSWGLXSA-N 487.070 4.922 50 1 JJGF Nc1ccc(-c2ccc3nc([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)[nH]c3c2)cc1N 587010002 YZVROIBYAAGNLO-QHCPKHFHSA-N 458.953 4.514 50 1 JJGF O=CN1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587327604 QFHNVBRNMMWCDI-NOZRDPDXSA-N 451.881 4.543 50 1 JJGF Cc1cc([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1CCc1ccc(F)cc1 962928096 GNPRSRPQPBQVPJ-MHZLTWQESA-N 468.016 4.817 50 1 JJGF N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2ccccc2)n(-c2ccccc2)c1N 1859947 ATAUTMWGYTVCOA-UHFFFAOYSA-N 478.566 4.719 50 3 JJGF O=Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587319226 AUXVJLCOSUNQSJ-GMAHTHKFSA-N 471.278 4.699 50 1 JJGF CN1C(=O)CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587324963 BGFSFSTVCQJBPE-RSXGOPAZSA-N 465.908 4.934 50 1 JJGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)CCl)cc41)[C@@H](C2)C3=O 587422749 RTIYIQLEYMZBNG-HFJWLAOPSA-N 494.330 4.762 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCO2 587538683 RGVZBAGWFCXQNX-NZQKXSOJSA-N 453.288 4.579 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610445 CHJBXXPDJGNUHY-QPTLAOIZSA-N 457.935 4.574 50 1 JJGF COc1c(F)cccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587715489 CRHDUIMDLQAPCM-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF CCOC(=O)NN=C(C)[C@]12O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356735960 VIKPJRPSXXRSGV-WGLIYWEGSA-N 458.599 4.750 50 1 JJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 73165280 UZEAWPRKEBEGQY-VULFUBBASA-N 480.440 4.963 50 1 JJGF CO/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)CBr 587702405 DSNSINCUXPRNSP-NIIWSHKHSA-N 461.091 4.805 50 1 JJGF COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)N/N=C/c1ccco1 653706054 YHMBFQSYQSSSNN-OPEKNORGSA-N 468.307 4.972 50 1 JJGF Cc1cc(Br)ccc1SCC(=O)OCC(O)=C(C#N)c1nc2ccccc2[nH]1 1857623086 KLQMOTDOHCDICI-UHFFFAOYSA-N 458.337 4.762 50 1 JJGF COCCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857636928 JRMVGBWAFBJVRD-UHFFFAOYSA-N 469.756 4.834 50 1 JJGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc2ccccc2n1 28227326 MNTQSARXYOPKHZ-XODNFHPESA-N 481.387 4.509 50 1 JJGF COc1ccc(OC)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587674286 VUJRXEMEOHSJGR-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587737167 YLKWHVQMHKQIQA-FVINQWEUSA-N 455.730 4.629 50 1 JJGF COc1cc2c(cc1OC)[C@@](CBr)(c1c(C)[nH]c3ccccc13)NCC21CCOCC1 963192202 QHRSRQHFWNJTMF-VWLOTQADSA-N 485.422 4.783 50 1 JJGF Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 15974322 OXSVAPMZXXCHLF-ANSGZIMJSA-N 499.552 4.510 50 1 JJGF COc1cc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O 53242795 LNKKVTDEUXTOHU-PKTZIBPZSA-N 474.904 4.635 50 1 JJGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539718 XWFQKKIEOJRMLS-APTRMMRNSA-N 483.314 4.576 50 1 JJGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCCCCC(=O)NN 587863890 DCJMVCYEQKTKMU-UHFFFAOYSA-N 454.493 4.719 50 1 JJGF FC(F)(F)c1cccc2c1[C@@]1(NCC23CCOCC3)c2ccccc2C[C@@H]1Br 962959905 QZPBNLIBWUSVSZ-GHTZIAJQSA-N 452.314 4.920 50 1 JJGF C[C@H](CC=CC(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356531040 YDCMTTMWZFUDMR-QXQVGDIMSA-N 450.660 4.943 50 1 JJGF CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N/NC(=O)c3ccncc3)C[C@H]21 473113694 KETLRARPWYWXRR-GBOJDLFMSA-N 460.622 4.943 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCO2 587538678 RGVZBAGWFCXQNX-NFBKMPQASA-N 453.288 4.579 50 1 JJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1cccc(F)c1Br 963635730 OCQQHEKSVAYIJN-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)NCCCO 1772611793 ZUHDQBIGOBSRMK-HWKANZROSA-N 481.556 4.942 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724177 FGTSSTXPTNJBSZ-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF COc1ccc2c(c1OC)[C@@](CCl)(Cc1ccccc1)N(C(=O)c1ccccc1N)CC2 963161113 XENNWXWOOXKGSI-SANMLTNESA-N 450.966 4.661 50 1 JJGF CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@@H]1C(=O)c1c(O)cc(O)cc1C2=O 2356622751 LUTUDNBLGPLGEH-WOLSZZLASA-N 499.431 4.823 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H]2Br 587323504 KRRYLAFZQIDKIK-WKRZYWNMSA-N 489.337 4.913 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962634186 HXPNZTMGZOQVKY-RPLLCQBOSA-N 481.061 4.650 50 1 JJGF CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356805776 ZXDBLETYGYFMFF-HSRATRFUSA-N 497.415 4.743 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23OC)c(C)c1Cl 71296390 OFHJKWNSOIQOPB-JJYCJAGASA-N 462.970 4.875 50 1 JJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Br)cs1 95808751 XROMKQXLLRMVJY-CIAFOILYSA-N 452.374 4.646 50 1 JJGF O=C(N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc2ccccc2n1 195220925 DGRKJTBQLPRCHS-AREMUKBSSA-N 495.388 4.672 50 1 JJGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587087796 URZFXXHCALRXDE-MRXNPFEDSA-N 456.337 4.556 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(Br)c1)[C@@H](C2)C3=O 587424881 WYFVLNYTCTZNQU-SGTLLEGYSA-N 456.105 4.635 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672659 GWBYNBBEYQTXTG-QGHHPUGFSA-N 458.125 4.669 50 1 JJGF CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587674119 SWSUITRJSVXGOE-WLRWDXFRSA-N 470.180 4.719 50 1 JJGF Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 40406313 LXMIUXCPSCWEDN-SJLPKXTDSA-N 494.005 4.658 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546257 VIRCEQCUGRVHDK-MIZPHKNDSA-N 453.288 4.578 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45287220 CEWYWQIDXVLOPB-NRFANRHFSA-N 465.575 4.715 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587543839 LVARJJYCTICXHU-DVECYGJZSA-N 455.894 4.610 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685146 NWJQJOJMHWRVOU-LAJNKCICSA-N 451.767 4.514 50 1 JJGF CC(C)c1sc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c2c1-c1ccccc1F 28340473 RBZVYTALQVTQFO-UHFFFAOYSA-N 486.569 4.598 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319697 CQSGMSWZPFIRSI-QPPBQGQZSA-N 485.305 4.967 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587323677 MEWRCPOEYPFSCS-HSJHCEBHSA-N 457.885 4.642 50 1 JJGF COC(=O)c1cccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587674354 WIGLMNCRWICDGL-WYRIXSBYSA-N 471.164 4.548 50 1 JJGF COc1ccc([C@H](O)CNC(=O)/C=C/c2cccc(O[Si](C)(C)C(C)(C)C)c2)cc1OC 1857633563 HETVLOVUWFBBRK-QGFLDLQWSA-N 457.643 4.951 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(Br)c1)[C@@H](C2)C3=O 587414979 QCWUULKDVJIQLN-ORAYPTAESA-N 468.141 4.504 50 1 JJGF CN(C)CCSSCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621477582 OIZRHQNJRBXPLD-IBGZPJMESA-N 496.098 4.654 50 1 JJGF COc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 33782249 QEEYQBMBSUDPRC-YUMHPJSZSA-N 469.453 4.740 50 1 JJGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587672013 CJIQDJFSOFGRBE-JEOXALJRSA-N 470.180 4.719 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674155 TYDVQQVVHDFBCY-PRWKNARSSA-N 482.191 4.646 50 1 JJGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 29037329 ODZNCKCSRDQLEN-UHFFFAOYSA-N 466.321 4.812 50 1 JJGF CC(C)(Br)[C@H](Br)CC[C@@]1([C@@H](Br)CBr)CO1 195488219 GGAPYRSAAHUZID-WEDXCCLWSA-N 471.853 4.631 50 1 JJGF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)[C@@H](C2)C3=O 587414935 PRWRQYMQIITFAX-KPDCDPCYSA-N 458.352 4.716 50 1 JJGF O=C(N/N=C/c1ccccc1)c1cn(C2CC2)c2cc(N/N=C/c3ccccc3)c(F)cc2c1=O 1857620995 ODRNTEPZCMNXGB-CMNXJCJSSA-N 467.504 4.685 50 1 JJGF CC(C)(C)N(NC(=O)c1ccccc1I)C(=O)c1ccccc1Cl 103179458 PUHBZYAKYDZFIB-UHFFFAOYSA-N 456.711 4.530 50 1 JJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587009944 XPGUGGWQCOLCPF-QHCPKHFHSA-N 456.933 4.914 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O 587416753 DTKQAKQWJNJDJE-DFBJGRDBSA-N 451.906 4.713 50 1 JJGF COc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587674450 WRFUEUVLNZGXTN-MLCYQJTMSA-N 488.151 4.678 50 1 JJGF C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccc(C(=O)NN)cc3)nc2c1 1857643368 ISRDTKJOCQQYNW-LBPRGKRZSA-N 485.327 4.811 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=CC=C[C@H](C)[C@H](C)CC)CC[C@H]2C(=O)O 2356798463 PHXQNFSQKWPZCY-NKJHEZKWSA-N 456.579 4.854 50 1 JJGF N#C/C(=C\c1cccc(Cl)c1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1 13676727 GXRMLPQTZASFNI-AYKLPDECSA-N 467.356 4.520 50 1 JJGF Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 40406316 LXMIUXCPSCWEDN-AEFFLSMTSA-N 494.005 4.658 50 1 JJGF CC(=O)N1CCc2sc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C1 587373111 LJIXNMBXBIJZRK-ILBGXUMGSA-N 485.964 4.991 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 587373132 PYSHHZKBLUCEBK-RUZDIDTESA-N 481.335 4.861 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(CCCN1C(=O)c3ccccc3C1=O)CC2=O 587455775 FRJHDMWTPSVJPZ-XMMPIXPASA-N 486.362 4.520 50 1 JJGF COc1ccc(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587540052 ZOTZSIFSDZGBLV-NZQKXSOJSA-N 471.303 4.661 50 1 JJGF CCc1ccc([C@]2([C@@H](C)Cl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963156091 ZVWKUCXAICSDRX-LEXZLQQCSA-N 450.988 4.823 50 1 JJGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC=CC(C)=C[C@H](C)CC)CC[C@H](C(=O)O)[C@]21C 2356618363 OSNZHRXZUAKEOD-NMENHGNHSA-N 454.563 4.774 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc([N+](=O)[O-])c1CBr 587875214 PHYIZGQIVZATDY-UHFFFAOYSA-N 470.150 4.701 50 1 JJGF COc1cc2c(cc1OC)[C@](CBr)(c1ccccc1OCC(F)F)N(C)[C@@H](C)C2 962619573 DOOVZEANWAFKMC-FPTDNZKUSA-N 470.354 4.863 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587673602 OQANYRBPILSDCH-SZNDQCEHSA-N 498.234 4.598 50 1 JJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccs1)C(Br)Br 963633414 HYNNRSZBHIHMEP-DYZYQPBXSA-N 461.219 4.659 50 1 JJGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(CBr)ccc41)[C@@H](C2)C3=O 587413301 MNYBFFGODJNKJD-NBGIEHNGSA-N 461.311 4.826 50 1 JJGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962894218 HWMBKWSIWWINQR-CVJWPJSTSA-N 451.925 4.775 50 1 JJGF N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53313736 XRDHRMXXYJORMD-JWQCQUIFSA-N 499.575 4.729 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587685306 PNGYKCGOADXQDE-FIKIJFGZSA-N 451.767 4.835 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587859120 VTNINBGHQUPXQG-GIGQVBGESA-N 455.780 4.649 50 1 JJGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]cc(C)c32)n(C)c1 1653507 PXXCJJGMHOTWOR-LQYUOIDQSA-N 454.958 4.641 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)CC2=O 587460917 LCGNJKUZMOXWQU-QHCPKHFHSA-N 481.898 4.891 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@H](Br)CC(=O)O)N1 587844541 BTQNTJZDFIDYMW-AEYAVQINSA-N 477.193 4.666 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587672537 GKODARZXADWBKX-NSPYISDASA-N 473.180 4.778 50 1 JJGF COc1ccc(C(=O)Oc2ccc(N(CCBr)CCBr)cc2)cc1 95719667 FZDWNMZVOSEQPI-UHFFFAOYSA-N 457.162 4.511 50 1 JJGF C[C@H]1Oc2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O 587501806 YODYBDCQVDVVME-JCQPUDPBSA-N 456.336 4.540 50 1 JJGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541455 BLXKBFOTVAHSNU-IECBHUPTSA-N 459.926 4.731 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)F)N1 587706180 OTYDEIAITQZAAK-DYEAUMGKSA-N 483.923 4.996 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CBr)(c2cccc(F)c2)N1 962925861 REQUYTBAXVILOA-GMAHTHKFSA-N 472.310 4.561 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=C[C@@H](C)CC(C)C)CC[C@@H]2C(=O)O 2356496312 UJIAILHDYMWIBK-FHRMVUEFSA-N 456.579 4.854 50 1 JJGF Cc1cccc(C)c1SSCCNC(=O)/C(Cc1cccc(Br)c1)=N/O 26568445 ZQSHOIOBGMRDAD-OQKWZONESA-N 453.427 4.995 50 1 JJGF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@H](O)CCl)c1=O 29209461 JBTHJMJGZXHHJO-QGZVFWFLSA-N 451.737 4.686 50 1 JJGF CC(=O)OCC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 299810231 NLSUODIKTXXGJU-JQDQYJHQSA-N 453.406 4.867 50 1 JJGF O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653774523 KFBNJUGHRFSYPA-JFLMPSFJSA-N 464.441 4.624 50 1 JJGF O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc1C2 962901746 SRVOZVNNQHWXPX-NVQXNPDNSA-N 484.354 4.900 50 1 JJGF NC(=O)C1CCN(Cc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 1772629044 XUERWGJMWGBNBM-UHFFFAOYSA-N 480.649 4.869 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 587674277 VSJRQUHWELMBGO-ODXCJYRJSA-N 485.191 4.922 50 1 JJGF CCOC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587674457 WSRMVBCTTVMFDF-ODXCJYRJSA-N 485.191 4.938 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587683582 HOQWUOUYKIKXMA-ZNLKAECVSA-N 453.783 4.802 50 1 JJGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCOCC2)cc1 1857773076 BCLKSWOIAWPYPN-WWMDMZBBSA-N 484.600 4.510 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(Br)c1F)[C@@H](C2)C3=O 587426172 MFGINHBIUADLCU-KPZWWZAWSA-N 456.105 4.635 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(F)(F)C(F)(F)F 587549721 RJDJIGLTJCNMIS-IUODEOHRSA-N 453.157 4.685 50 1 JJGF NNC(=O)CCCCCCCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655647 CIGNTYYPDWGEJH-UHFFFAOYSA-N 484.547 4.873 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962634184 HXPNZTMGZOQVKY-IGKIAQTJSA-N 481.061 4.650 50 1 JJGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1C2=O 82151312 NYCXACPFTPUDNZ-UHFFFAOYSA-N 486.833 4.910 50 1 JJGF C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc(O)cc1 103194114 GDBMPYISTMGFLS-WGOQTCKBSA-N 492.630 4.852 50 1 JJGF CC(=O)N1CCc2sc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C1 587373114 LJIXNMBXBIJZRK-NOZRDPDXSA-N 485.964 4.991 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 587673015 JNONSIPXDROKBT-JEOXALJRSA-N 470.180 4.719 50 1 JJGF COc1ccc([C@H](CCC(=O)O)O[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 169304604 ARXRTBLAHCPUGY-ZXCBWOCBSA-N 476.566 4.826 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587682946 FCIIWQMNTAXRRC-UFAGZECESA-N 461.803 4.956 50 1 JJGF CC(C)(CCl)C(=O)Oc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879055 HLKWNDAUBFZARM-UHFFFAOYSA-N 452.765 4.874 50 1 JJGF CCN(CC)c1ccc([C@@]2(C(F)(F)F)Nc3cc(-c4ccc(OC)cc4)nn3C(N)=C2C#N)cc1 621477565 CIUIWFRAGPCREU-XMMPIXPASA-N 482.510 4.939 50 1 JJGF Cc1ccc([C@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1C 962648654 WIXNHQYLIYPFSV-BJKOFHAPSA-N 453.380 4.589 50 1 JJGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1772644329 KPKNIIFOKFXOOO-WSDLNYQXSA-N 480.531 4.692 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587323678 MEWRCPOEYPFSCS-PZSUSGJMSA-N 457.885 4.642 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCCO2 587537306 CSJFUNWESSKOFK-URXFXBBRSA-N 483.314 4.806 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cc(O)nc(CCl)n2)cc1 587883435 LKCZFPXLYHDXMY-UHFFFAOYSA-N 460.748 4.605 50 1 JJGF CC1(C)O[C@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)C2=C[C@@H]1Cl 2356805777 ZXDBLETYGYFMFF-NRYBCHEISA-N 497.415 4.743 50 1 JJGF COC(=O)c1ccc([C@@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934104 LSSMYZTVXIYNBT-HWUUJZMBSA-N 484.504 4.778 50 1 JJGF Cn1nc(C(=O)O)c(I)c1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587179902 ITOUASGHMPMMBP-UHFFFAOYSA-N 494.183 4.924 50 1 JJGF CCOC(=O)[C@H](Br)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587874982 LVBADBIPGKHJQF-HXUWFJFHSA-N 483.189 4.703 50 1 JJGF CC1(C)CC(=O)c2cc(C(=O)NN(C(=O)c3ccc(Br)cc3)C(C)(C)C)ccc2O1 28645842 JQCSJQBPWVNXHQ-UHFFFAOYSA-N 473.367 4.779 50 1 JJGF CC(C)(C)c1ccc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 38807615 IWMHUAAVFREZMP-DPCVLPDWSA-N 466.651 4.615 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587543838 LVARJJYCTICXHU-CYFREDJKSA-N 455.894 4.610 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@H]1C 587545268 QFZJUDFCNYTAPO-ANSMVEEYSA-N 463.917 4.786 50 1 JJGF N#CC1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587546097 NSAUSCMOHBWLIP-NZQKXSOJSA-N 462.255 4.812 50 1 JJGF COC(=O)c1cccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CBr 587874848 IOSCMPNZKLHFGY-UHFFFAOYSA-N 483.189 4.580 50 1 JJGF CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 53297804 PRNPRCLDEVRYNN-RPWUZVMVSA-N 471.948 4.987 50 1 JJGF CC(C)C(=O)[C@@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118933115 NFACUCXXPCCQNJ-QEAKFQLESA-N 465.005 4.623 50 1 JJGF CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@H](CCO)N2)(c1ccccc1)c1ccccc1 195206691 BWDKXGSTNZZAEM-GKAFBRTNSA-N 451.727 4.626 50 1 JJGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538083 NCQWHDVTWBOCIS-HVKUTMBPSA-N 494.341 4.917 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848962 QHBBNNPGSNLCEP-HUTHGQBESA-N 477.193 4.609 50 1 JJGF O=C(O)C[C@H](CC(=O)NNC(=O)c1cccc(Nc2ccccn2)c1)c1cc(Cl)cc(Cl)c1 13862991 GWLCGVOXRULCBR-INIZCTEOSA-N 487.343 4.542 50 1 JJGF CCC(=O)O[C@]1(C(=O)SCCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 27207508 REAOHHWVBWYRQC-XGQKBEPLSA-N 499.044 4.751 50 1 JJGF 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(OC)cc1 58555758 YDLQDYFGDUDEQF-LHCRBNFMSA-N 490.593 4.914 50 1 JJGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CC1)CO4)C3=O 2356585586 VCCIXRCEOVYCCA-CQLNOVPUSA-N 463.357 4.895 50 1 JJGF CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C 254133194 UVOMHRSHJFJPNQ-UHFFFAOYSA-N 465.145 4.563 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2 587372535 MJGUKKPAUUCPEZ-DWXRJYCRSA-N 466.965 4.935 50 1 JJGF COc1ccc2cc(O)c(C(=O)N/N=C/c3ccc(-c4cc(C(F)(F)F)nn4C)s3)cc2c1 13442476 ZEAMHWQBWWEWSJ-KBKYJPHKSA-N 474.464 4.799 50 1 JJGF C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C\C1)CO4)C3=O 238783919 VCCIXRCEOVYCCA-HPPRWJIUSA-N 463.357 4.895 50 1 JJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587009489 IAZQWTSXUDTICD-QHCPKHFHSA-N 454.921 4.779 50 1 JJGF CCCc1c(O)ccc2c1O[C@@H](C(Br)(Br)CBr)CC2=O 587451823 KYNFDKANVRAFBN-GFCCVEGCSA-N 470.983 4.560 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 587674216 UWAVHNJKTKLIPR-GIPWTMENSA-N 481.159 4.867 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587687825 IORJGYALNQTDKU-MZFXBISCSA-N 465.794 4.902 50 1 JJGF COc1ccc([C@]2(CCl)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1Br 962572771 QLIFAEOTMJIERG-YEJXKQKISA-N 454.792 4.834 50 1 JJGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](C(Cl)Cl)[C@@H]2CC[C@@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800320 PXTLHRBOGNFPRG-QNWJLWSRSA-N 487.280 4.656 50 1 JJGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(I)c1OC 40767487 XSMSACGVKDZSKF-IBGZPJMESA-N 484.293 4.680 50 1 JJGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4cccc(Cl)c4)cc3)o2)c(OC)c1 473247907 JHBADGPOEXLMDN-VULFUBBASA-N 462.893 4.838 50 1 JJGF CCC(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587541473 BWPHNOVYMGSOHE-OZXSUGGESA-N 463.917 4.787 50 1 JJGF O=c1nc(O)c(F)cn1CCSSCCN1C=CC(=C/C=C2\C=Nc3ccccc32)C=C1 1772586603 ZFDQSKONTLVCEK-NGYBGAFCSA-N 468.579 4.538 50 1 JJGF CCOC(=O)[C@H]1CCc2nc(SSc3nc4c(s3)C[C@H](C(=O)OCC)CC4)sc2C1 1772646342 ZKKCHDGKRNCYAB-TXEJJXNPSA-N 484.690 4.735 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](C=C(C)CC=CC(C)(C)OO)O3)O[C@H]2C=C1C 2356746899 YGBUJACBKXHYOB-ZFGIHPCWSA-N 474.594 4.794 50 1 JJGF COc1ccccc1C(O)(c1ccccc1OC)C1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 49766491 XFCUXOVAZJSYFN-UHFFFAOYSA-N 492.528 4.759 50 1 JJGF C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369459 IPWBUPNNNGUSDX-BEYHJKFUSA-N 489.952 4.785 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@H](C=C(C)CC=CC(C)(C)OO)O3)O[C@H]2C=C1C 2356746898 YGBUJACBKXHYOB-MNAZRCARSA-N 474.594 4.794 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O 587414100 KINBGQKJOCAEGD-IFXJQAMLSA-N 468.141 4.504 50 1 JJGF CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544305 NQGIFWMCFTXCQU-MROGCYOMSA-N 479.960 4.945 50 1 JJGF O=C=Nc1c(Br)cc(F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894064 QZTOAMLCQNTNOI-UHFFFAOYSA-N 456.098 4.573 50 1 JJGF CC(C)[C@H](I)N1c2ccccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F 29415837 WBGGDMQSCCCVLP-WBVHZDCISA-N 462.253 4.577 50 1 JJGF COC1=C(OC)C(=O)C(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O 58581443 IJSMMRLMQNSMGI-UHFFFAOYSA-N 485.540 4.733 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587848442 OMCUSNAKDWUKKP-QQKBFRNYSA-N 459.812 4.691 50 1 JJGF C[C@@]1([C@H](Cl)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccsc2CCN1C(N)=O 962705455 NSJPLNXSLZVQKD-PBHICJAKSA-N 466.312 4.818 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 58496444 NYJRVVZQFCMWJL-LRLOGCLQSA-N 464.530 4.956 50 1 JJGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 962639603 VIJYARSFGNHERC-PZJWPPBQSA-N 484.312 4.701 50 1 JJGF CCC=CC[C@H](Br)[C@H](C[C@@H]1O[C@H](C=C=CBr)C[C@@H]1OC(C)=O)OC(C)=O 2356379849 JRQQPVJNDFEESP-UIUYMOFNSA-N 494.220 4.581 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587737174 YLKWHVQMHKQIQA-WVDJIFEKSA-N 455.730 4.629 50 1 JJGF COc1ccc([C@@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-] 962701924 LVBGGUSNFQCOAS-BTYIYWSLSA-N 481.387 4.745 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325720 GWTPLACAGSWNIS-NMMYMHLASA-N 461.917 4.877 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc([N+](=O)[O-])c4)c1C)[C@@H](C2)C3=O 587418287 TYEHPUPPEFHXGU-RDPSFJRHSA-N 452.894 4.893 50 1 JJGF O=C1C[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 587501823 YTKFJXHDKJRDTR-XMMPIXPASA-N 454.364 4.948 50 1 JJGF COc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587674451 WRFUEUVLNZGXTN-XTZNXHDOSA-N 488.151 4.678 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686954 DRHPHYHYCIVFOF-SOHPYSCWSA-N 467.810 4.672 50 1 JJGF CC1=C[C@@]2(C)OO[C@H]1[C@@]1(C)[C@@H]2[C@@](C)([C@H](O)[C@@H](C)C(=O)C(C)C)[C@H]1C(C)=C[C@]1(C)O[C@H](C)[C@]2(C)O[C@H]12 2356825314 HBYUNGWMFHIERU-GAQJWMTMSA-N 488.665 4.797 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587682936 FCBHISJLTJHTMN-LAJNKCICSA-N 451.767 4.880 50 1 JJGF CC(C)(Br)[C@@H](Br)CC[C@@](C)(Br)[C@@H](Br)CO 1638725 KNNMIDQUZTUBJU-OYNCUSHFSA-N 473.869 4.613 50 1 JJGF O=C(CCl)NC[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587503535 ORSAQSFVSQAXSB-JOCHJYFZSA-N 462.771 4.544 50 1 JJGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(Oc4ncccn4)cc3)(C(F)(F)F)C2)cc1 1772576252 APTSQMGPJZIEKP-HSZRJFAPSA-N 450.420 4.832 50 1 JJGF COC(=O)c1ccc(/N=N/N(C)C(=O)CCc2ccc(OC(=O)CCc3ccc(O)cc3)cc2)cc1 1772633260 NJAJDKSGLSQUGL-ZQHSETAFSA-N 489.528 4.807 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673522 NSSILEDHLFNQDC-LAJNKCICSA-N 496.218 4.670 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@@H](Br)CC(=O)O)N1 587844549 BTQNTJZDFIDYMW-ZVTRXGDXSA-N 477.193 4.666 50 1 JJGF N#C/C(=C\c1ccccc1Cl)C(=O)NCCCCCNC(=O)/C(C#N)=C/c1ccccc1Cl 13676744 CKAXZMNPUNRWBF-OZNQKUEASA-N 481.383 4.910 50 1 JJGF O=CN1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587327607 QFHNVBRNMMWCDI-ZCYQVOJMSA-N 451.881 4.543 50 1 JJGF COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544963 PSWJXJAITCGAKS-XUZZJYLKSA-N 452.846 4.949 50 1 JJGF Cc1cc(N(CCCl)CCCl)ccc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224430 CBMHRHJCSXHNLI-DHIUTWEWSA-N 458.389 4.516 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 963269920 MQSSRHBTLVPJTC-PTFIGZPYSA-N 481.379 4.896 50 1 JJGF O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)NN(Cc1ccc(F)cc1)c1ccccc1 1857618567 ADKPDCJUAOTYGJ-UHFFFAOYSA-N 496.030 4.912 50 1 JJGF COc1cc2cc(C(=O)Nc3cc(O)c4ncc(C)cc4c3CCCl)[nH]c2c(OC)c1OC 64264774 VKXNGXPENZNMFK-UHFFFAOYSA-N 469.925 4.790 50 1 JJGF O=C1N2C=C(c3ccc(O)cc3)N[C@H](Cc3ccccc3)C2=N[C@@]1(Cc1ccc2ccccc2c1)OO 103537776 OMOBIXPIGAIKCC-VIZCGCQYSA-N 491.547 4.728 50 1 JJGF in-vitro O=C(CCCC[C@H]1CCSS1)NC[C@@H](O)CNc1c2c(nc3ccccc13)CCCC2 299866612 PDYJCWAZIZYPDT-MSOLQXFVSA-N 459.681 4.717 50 1 JJGF Cn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21 1911572220 REAVBCOROLAXAE-UVHMKAGCSA-N 494.020 4.551 50 1 JJGF CNC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NC)[nH]c2ccccc12 13734669 YZHVMIJXSAQUTB-UHFFFAOYSA-N 466.632 4.806 50 1 JJGF O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1)c1cccc(Oc2ccccc2)c1 66074103 GMDFIGRFPCHAQH-UHFFFAOYSA-N 483.440 4.598 50 1 JJGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc(OCCBr)cc2)N1 963185736 PZUUGNJLDPHPIH-DLBZAZTESA-N 478.692 4.821 50 1 JJGF O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2ccccc2[N+](=O)[O-])cc1 299866154 ONCZLGJYRSLJLI-UHFFFAOYSA-N 471.556 4.894 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724179 FGTSSTXPTNJBSZ-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(NCCc3nc4ccccn4c31)c1ccccc1C2=O 962988460 OJZNJBVIKJMJCB-IYJVBRSBSA-N 491.378 4.536 50 1 JJGF COc1ccc(Cl)cc1C#Cc1cc(C(=O)CBr)cc(Br)c1N 587897942 AXYQCMXWIJIDSF-UHFFFAOYSA-N 457.549 4.671 50 1 JJGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(Br)c1Br 1857533847 NKSLVMVQCLZMFP-KPSZGOFPSA-N 466.944 4.988 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3cccc(F)c3)N(CCCl)CCCl)cc(O)c21 473085210 VUVJFBQJRSYZMO-QFIPXVFZSA-N 488.342 4.881 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587545379 RCJOGKWWMYAWNB-OFVILXPXSA-N 463.873 4.756 50 1 JJGF COc1cc(Cl)c([C@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962762550 JKJSVFUQTYPDRK-DNVCBOLYSA-N 492.719 4.641 50 1 JJGF N#C[C@H](c1ccccc1)[C@]1(CBr)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926237 LXVHEXURWNPTAK-GIFXNVAJSA-N 493.357 4.681 50 1 JJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](OC(C)=O)C[C@H](Br)[C@@H](CC)O1 2356306680 POXMPQJRUHCCSF-ROIMOXLHSA-N 470.629 4.590 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 195195968 NYJRVVZQFCMWJL-HGRYVUDWSA-N 464.530 4.956 50 1 JJGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587374299 VSMGECWPAYYKEP-VWLOTQADSA-N 452.938 4.871 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587545380 RCJOGKWWMYAWNB-PXDATVDWSA-N 463.873 4.756 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587679757 GTEWUUQSXPXHEO-AXXDXXKNSA-N 455.165 4.694 50 1 JJGF COC(=O)c1cccc(CBr)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874625 DIZMUZORINNZOI-UHFFFAOYSA-N 483.189 4.580 50 1 JJGF CC(C)C(=O)[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 253665321 NFACUCXXPCCQNJ-BRMIVXOHSA-N 465.005 4.623 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 587679958 GFCKWKBVHKSPPS-OVWNDWIMSA-N 467.132 4.604 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CBr)(c2cccc(F)c2)N1 962925867 REQUYTBAXVILOA-JTHBVZDNSA-N 472.310 4.561 50 1 JJGF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1C(=O)CCl 66101869 PFLGCQQXTNLMGZ-YLJYHZDGSA-N 451.737 4.729 50 1 JJGF O=C(Cl)[C@@H](Br)CC[C@@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279986 XLGFDXNMVZUSGQ-MNOVXSKESA-N 467.497 4.596 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587496554 DWHNTASTBQWFHA-XMMPIXPASA-N 459.926 4.701 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587538059 MTLNDSJLOKFWGF-UGKGYDQZSA-N 486.274 4.561 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(N2CCCC2=O)c1 587539265 VCYVIDDGAGPUST-RCZVLFRGSA-N 494.341 4.771 50 1 JJGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 587547206 ZJSYRSUQHKEVAQ-URXFXBBRSA-N 450.878 4.884 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 587682214 RGPMQVKREGOYFM-GIGQVBGESA-N 467.132 4.604 50 1 JJGF Oc1ccc(Br)cc1[C@]1(CBr)c2c(F)cccc2C[C@@H]2CCCN21 963101673 LNVSJEJTFZYDPD-IFXJQAMLSA-N 455.165 4.953 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)O2 587374238 VIBPOTIYSMJJRG-RUZDIDTESA-N 452.938 4.872 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673411 MQKNGHROAUUXRS-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725908 SUPFHNHGTDJLBK-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF Cn1c(-c2ccccc2)cs/c1=N\NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1857747713 OWBVLQGWCZRMBT-OHYPFYFLSA-N 483.549 4.538 50 1 JJGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)=C/CC[C@@H](C)CC)CC[C@@H]2C(=O)O 238777441 DXPNTMBJXVSKRN-WJUQHGCCSA-N 456.579 4.998 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325725 GWTPLACAGSWNIS-YOSAUDMPSA-N 461.917 4.877 50 1 JJGF CC(C=O)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@H](C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@@]23C)O1 2356383480 NZGITYVJSRBFQS-JEDRPEPQSA-N 484.677 4.795 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1 587538105 NLKUFDVFTZISGE-NQIIRXRSSA-N 456.248 4.552 50 1 JJGF O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53243039 QUPQBTIIGYHTHY-FCHUYYIVSA-N 476.945 4.801 50 1 JJGF O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)NN(Cc1ccccc1)c1ccccc1 1857616139 HKAMZPHBOUTAED-UHFFFAOYSA-N 478.040 4.773 50 1 JJGF COC(=O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587322077 LJPWTOFILSTLIS-QPPBQGQZSA-N 485.305 4.967 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673523 NSSILEDHLFNQDC-QKVFXAPYSA-N 496.218 4.670 50 1 JJGF COc1c2c(c(O)c3c(=O)cc(-c4ccccc4)oc13)[C@H](c1ccc(C)cc1)C(C#N)=C(N)O2 1911581592 LUXZBNQPDRJYLN-HXUWFJFHSA-N 452.466 4.701 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673247 LRUXIUNHMHUQKS-QKVFXAPYSA-N 496.218 4.670 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587681792 AVGXFWDUTPAQLS-FIKIJFGZSA-N 451.767 4.835 50 1 JJGF CC(C)C(=O)[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 253665331 NFACUCXXPCCQNJ-MUANKDBXSA-N 465.005 4.623 50 1 JJGF CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C(=O)NN)ccc6[nH]5)cc4)nc(O)c23)C1 587040049 WEDYBZWSPJIFIF-ZDUSSCGKSA-N 484.585 4.726 50 1 JJGF COCCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587543491 KQBRNOIBOUTEOV-RDGATRHJSA-N 455.938 4.943 50 1 JJGF Cc1cc(N(CCCl)CCCl)ccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224432 CBMHRHJCSXHNLI-PKTZIBPZSA-N 458.389 4.516 50 1 JJGF COc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 15986091 YCYWXZDLCNOKCT-ZRGSRPPYSA-N 489.359 4.507 50 1 JJGF COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)cc1 64573497 ABYJHOJMYFKUPD-POYMRFPPSA-N 470.573 4.687 50 1 JJGF COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl 85635092 OFHJKWNSOIQOPB-BFWHPGNDSA-N 462.970 4.875 50 1 JJGF in-man O=C(NCc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 27634786 HUIGVXGEKDOWGE-UHFFFAOYSA-N 465.731 4.932 50 1 JJGF CCCc1c(O)ccc2c1O[C@]([C@@H](C)Cl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O 587496332 WFBDFWZNIBYEPS-CBJTVTONSA-N 451.972 4.788 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587686391 UVDIRKNLMLAKFT-LAJNKCICSA-N 451.767 4.880 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 137014465 NYJRVVZQFCMWJL-OZTGUVMPSA-N 464.530 4.956 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587687079 YSIGYIUQANGICK-FIKIJFGZSA-N 465.750 4.873 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687330 FZIPBMTZILMCLC-QLEMLULZSA-N 467.810 4.672 50 1 JJGF C[C@]1(c2ccc(NC(=O)CI)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510827 XBGXNBSTADSSMG-JOCHJYFZSA-N 475.326 4.820 50 1 JJGF COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)cc1 64573495 ABYJHOJMYFKUPD-FATVKVNYSA-N 470.573 4.687 50 1 JJGF CC(C)COc1cccc2c1C(=O)c1c(OCC(C)C)cc(NC(=O)CBr)cc1C2=O 206584628 ZCSFDYYGXDRTEM-UHFFFAOYSA-N 488.378 4.865 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587538046 MLUASZKZXNTGIU-CDNPAEQRSA-N 475.335 4.611 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 587688696 NFDKIWXDDXPLRE-UDCJKQGOSA-N 461.766 4.854 50 1 JJGF COc1ccc(/C=N/C2=C(C#N)[C@@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313699 GTEIPBYBXYAZMS-CUPNYVELSA-N 469.589 4.808 50 1 JJGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2ccccc12 103208300 CMZHTPYHCQBYAA-QFIPXVFZSA-N 487.581 4.689 50 1 JJGF COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587571183 ZOLOGLLQZUTUAL-GCJKJVERSA-N 459.267 4.792 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 587719706 LPAZMKORXSNARZ-QPFGOUBPSA-N 465.107 4.745 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)[C@@H]2Br 962639035 OAMOGRVTTCURLL-VLBUOGOSSA-N 462.306 4.599 50 1 JJGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322148 GHBSTOJXHLLXJP-AYRFPWDKSA-N 467.880 4.744 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325719 GWTPLACAGSWNIS-MZLICYQSSA-N 461.917 4.877 50 1 JJGF COc1ccc(/C=N\NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OC)c1 13108834 KEWQTTXJFFTKFZ-GATIEOLUSA-N 464.469 4.616 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1F)[C@@H](C2)C3=O 587425217 ACUNPFGTVLFWKO-SCLBCKFNSA-N 456.105 4.635 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 587688693 NFDKIWXDDXPLRE-BNKJWGRQSA-N 461.766 4.854 50 1 JJGF COc1cc(Br)c([C@@]2(CBr)NCCc3ccc(F)c(C)c32)cc1OC 962149485 WFVGVURROFGJDX-LJQANCHMSA-N 473.180 4.698 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587672447 FXVFOXXNRHVEDB-DYZYQPBXSA-N 458.125 4.669 50 1 JJGF Cl[C@H](Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1 71316077 VXPRLPJXOGZRAZ-JOCHJYFZSA-N 495.052 4.974 50 1 JJGF O=c1nc(O)c(F)cn1CCSSCCN1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1 1772586591 ZFDQSKONTLVCEK-FXBPXSCXSA-N 468.579 4.538 50 1 JJGF COc1ccc(/C=N/C2=C(C#N)[C@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313708 GTEIPBYBXYAZMS-KCBFEMQRSA-N 469.589 4.808 50 1 JJGF COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2nc(C)cs2)cc1Cl 66128675 QWVSTKYEKHGSQE-NRFANRHFSA-N 492.428 4.786 50 1 JJGF CC[C@H](C)C[C@H](C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C[C@@H](O)[C@@H](C)C=C(C)C=O)CO 2356844490 NVPXIJZSAVUDBQ-MTISZYSWSA-N 464.687 4.616 50 1 JJGF COc1ccc([C@H]2CC(=O)c3c(O)cc(OCCCCBr)cc3O2)cc1OC 95563281 DCSTYLUDQCOVCI-GOSISDBHSA-N 451.313 4.670 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545400 RLAPVSVJHRZYDX-HYBUGGRVSA-N 455.894 4.610 50 1 JJGF CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672115 CXKGRMKMYFGPIX-ZMZPIMSZSA-N 465.201 4.692 50 1 JJGF O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)cc1 1857538941 FORZYCLAQCZRHW-UHFFFAOYSA-N 468.300 4.724 50 1 JJGF C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)Cl 139558356 HRTWOYRCWPBHAL-GARJFASQSA-N 497.703 4.813 50 1 JJGF CCC(=O)N1CCc2cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587687110 YULRKOMSZDLGPK-XMHCIUCPSA-N 465.794 4.904 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587725515 QRDHOPZRBRRUBS-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc(OCCBr)cc2)N1 963185742 PZUUGNJLDPHPIH-SJORKVTESA-N 478.692 4.821 50 1 JJGF COc1ccc([C@@H](O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C 195176670 LWMRWPBWSYSVCW-YADHBBJMSA-N 464.631 4.872 50 1 JJGF CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](c2ccco2)C(C#N)=C(N)O1 587743419 DPCOCZUEYGXSKL-KRGCRAHLSA-N 458.331 4.712 50 1 JJGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 587547212 ZJSYRSUQHKEVAQ-ZJSXRUAMSA-N 450.878 4.884 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 587674218 UWAVHNJKTKLIPR-YBTHPKLGSA-N 481.159 4.867 50 1 JJGF CN1C(=O)C[C@@H]2CN[C@](C)(c3cccc(N4Cc5ccccc5C4=NC(=O)CCl)c3)c3cccc1c32 963026706 JZWPGTVWCYMTDY-SONOPUAISA-N 499.014 4.536 50 1 JJGF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586974015 PMMJPYNWHZRDHW-AWEZNQCLSA-N 450.402 4.640 50 1 JJGF CCCc1c(O)ccc2c1O[C@](C)(c1sc(NC(=O)CCl)c(C(=O)OCC)c1C)CC2=O 587493150 QWCFHFZPIMSWRU-QHCPKHFHSA-N 479.982 4.949 50 1 JJGF O=C1C[C@](CBr)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 587501822 YTKFJXHDKJRDTR-DEOSSOPVSA-N 454.364 4.948 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611374 IFNMIFDKWHGYAY-GKUBODSPSA-N 487.961 4.832 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 587719711 LPAZMKORXSNARZ-RBHXEPJQSA-N 465.107 4.745 50 1 JJGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)oc2ccccc12 962668602 PCPNTJSECVVMGG-MVVDSVGXSA-N 491.975 4.909 50 1 JJGF CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(C(=O)CF)O1 2356343281 OGZHZYVCWDUIJV-GCFPHFQSSA-N 489.386 4.860 50 1 JJGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C2CC2)cc1 33560971 NULYENOSVPTJOG-SSOJOUAXSA-N 463.965 4.540 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1c(CBr)cccc1[N+](=O)[O-] 587875481 VERQRJUFJZUGTC-UHFFFAOYSA-N 470.150 4.701 50 1 JJGF O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)N/N=C/c1ccccc1 1860805 SGMRMKDBAITTTN-DHRITJCHSA-N 458.319 4.651 50 1 JJGF COc1cc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O 53242793 LNKKVTDEUXTOHU-DHIUTWEWSA-N 474.904 4.635 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccccc3F)N(CCCl)CCCl)cc(O)c21 473085070 VHNGJQZAQYYNBT-QFIPXVFZSA-N 488.342 4.881 50 1 JJGF COC(=O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587322079 LJPWTOFILSTLIS-XUZZJYLKSA-N 485.305 4.967 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)[C@@H](C2)C3=O 587428749 OZAZBGSCPPOHPB-LRWGCKFXSA-N 466.940 4.980 50 1 JJGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1cccc(F)c1S(C)(=O)=O 963221308 ACKHBCVVQWFWBN-BTYIYWSLSA-N 454.405 4.524 50 1 JJGF CC(=O)N1CCc2sc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C1 587373116 LJIXNMBXBIJZRK-UKILVPOCSA-N 485.964 4.991 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587687082 YSIGYIUQANGICK-WIUDPPPLSA-N 465.750 4.873 50 1 JJGF COc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587715686 IJNJOJLBMGSJGV-NIVTXAMTSA-N 477.143 4.614 50 1 JJGF CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1=O 2356811266 YVQVUHJNIVGAHG-FIRPXTFZSA-N 453.535 4.929 50 1 JJGF S/C(=N\C1=N[C@@H]2C=CC=C[C@@H]2S1)SS/C(S)=N/C1=N[C@H]2C=CC=C[C@H]2S1 27192165 WFISZLOIRJZEMU-IWDIQUIJSA-N 454.718 4.871 50 1 JJGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 103019296 VDGKOGKAKKJACD-GSTQUKTASA-N 474.504 4.815 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587672779 HPUIVPANUFMAPF-XTZNXHDOSA-N 488.151 4.678 50 1 JJGF COc1ccc([C@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-] 962701939 LVBGGUSNFQCOAS-QVKFZJNVSA-N 481.387 4.745 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@H](C)C[C@H](C)CC)CC[C@H]2C(=O)O 2356425347 KFNRVRQZGWBRJR-WBPVLTIJSA-N 456.579 4.854 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587324420 YUGLWFBCSICLFN-LADGPHEKSA-N 485.305 4.952 50 1 JJGF CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C 254132437 ORDGCBBEIXWQFI-UHFFFAOYSA-N 479.172 4.953 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587688718 NKLNDXMHQKAHSI-YDZGXFTCSA-N 499.211 4.666 50 1 JJGF N#Cc1cccc([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962626444 GYAUMXHFJIFAMP-AOYPEHQESA-N 458.403 4.944 50 1 JJGF COC(=O)c1ccc([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)o1 963833621 XWGIJSGXLQABIB-RUZDIDTESA-N 450.922 4.755 50 1 JJGF CC1(C)O[C@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@@H]2C[C@@H]1Cl 2356622750 LUTUDNBLGPLGEH-JPZVHPGUSA-N 499.431 4.823 50 1 JJGF COc1cc2c(cc1OC)[C@@H](C(CBr)CBr)N(C1CCCC1)CC2 1632150 REJPYWXSBFPPSA-LJQANCHMSA-N 461.238 4.952 50 1 JJGF COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2nc(C)cs2)cc1Cl 66128673 QWVSTKYEKHGSQE-OAQYLSRUSA-N 492.428 4.786 50 1 JJGF O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614129 REWHAGLWMBUZEH-UQASEVPWSA-N 475.316 4.549 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587674477 XBDGLSLIYRSEPM-ASSNKEHSSA-N 496.218 4.888 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587684950 NDSMIJYGIREGKB-WVDJIFEKSA-N 457.771 4.726 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587685821 RQXMXQYQMZIIKB-ODXCJYRJSA-N 453.739 4.561 50 1 JJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1cccs1 17526819 BROZTCCDDMWNLY-FDCFBWIESA-N 458.590 4.842 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C[C@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O 587418138 SAHBLSMDLWWRKQ-BKCZMFJTSA-N 479.960 4.835 50 1 JJGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541302 ASNNZYLYMXQVOI-ZHRMCQFGSA-N 461.942 4.881 50 1 JJGF COC(=O)N/N=C(\C)[C@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 102957213 AEKMAVFCRPYIEQ-OMQMVULQSA-N 463.578 4.966 50 1 JJGF CC(=O)NCCc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587333862 NPOXBWHNKCERMN-AHWVRZQESA-N 485.914 4.842 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 587679953 GFCKWKBVHKSPPS-APBUJDDRSA-N 467.132 4.604 50 1 JJGF CC(C)C(=O)[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118933117 NFACUCXXPCCQNJ-UBHHKPEDSA-N 465.005 4.623 50 1 JJGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)CC2=O 587462304 XMNVQDWOXGBNMI-HHHXNRCGSA-N 479.960 4.814 50 1 JJGF Cc1c(C(=O)N/N=C/c2cccs2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28373458 QDFNPMJLSLKECF-JFLMPSFJSA-N 490.552 4.535 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 40368874 ACOOMDBVWCJRIF-FDTBGVKSSA-N 450.461 4.759 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(OC)c1OC)CC2=O 587456550 QRHUHHKUQCPEPT-JOCHJYFZSA-N 465.340 4.626 50 1 JJGF COCCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587543495 KQBRNOIBOUTEOV-WIOPSUGQSA-N 455.938 4.943 50 1 JJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923856 GQRRSVYIIHXNHY-BKMJKUGQSA-N 476.916 4.582 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169299066 OJCKRNPLOZHAOU-IDLGOQIMSA-N 489.653 4.636 50 1 JJGF CC(C)C(=O)[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253665348 NFACUCXXPCCQNJ-WBPGSNRESA-N 465.005 4.623 50 1 JJGF C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498521 HWGGTEKJFRDPLQ-PSLXWICFSA-N 459.336 4.673 50 1 JJGF Cc1cccc(-n2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nn2)c1 587327322 PCHQAADTPAUPQD-ILBGXUMGSA-N 463.896 4.914 50 1 JJGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCBr)(c2ccc3c(c2)CCC3)N1 962691873 DOAZOAQNQKHSGJ-FPOVZHCZSA-N 486.303 4.961 50 1 JJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@H](C1CCCC1)[C@]42CC3=O 2356371888 SDVAQICNXIRWFG-AUTKYFEBSA-N 491.767 4.894 50 1 JJGF O=C1C(Br)=CC(=CNNC(=O)c2cc3c(ccc4ccccc43)o2)C=C1Br 15879917 OYNCCYDHQWFQAQ-UHFFFAOYSA-N 488.135 4.845 50 3 JJGF N#C/C(=C\c1cccc(Cl)c1)C(=O)NCCCCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1 13676746 BKUJAVMBIRSZJW-ZIOPAAQOSA-N 481.383 4.910 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(F)cc3)N(CCCl)CCCl)cc(O)c21 473083569 OMRFKMCBJYICCM-QFIPXVFZSA-N 488.342 4.881 50 1 JJGF CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587376698 PWELGRPTDVVNMI-GMAHTHKFSA-N 459.926 4.722 50 1 JJGF C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1 653746580 DKWRGFMPVDRQDF-STZQEDGTSA-N 454.643 4.743 50 1 JJGF CN(/N=C/c1cc(Br)cc(Br)c1O)C(=O)c1ccc(Br)cc1 1857549295 HXLCELPDVAUIJA-UFWORHAWSA-N 490.977 4.786 50 1 JJGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(OC(C)=O)c2[nH]cc(C)c32)n(C)c1 1653513 CZQAXASQXBZSHD-OZSKJFCKSA-N 496.995 4.861 50 1 JJGF CCN(CC)C(=S)SCCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 38158715 REDRFVOHQYHYCX-ATBVIJAUSA-N 473.701 4.961 50 1 JJGF CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 53297801 PRNPRCLDEVRYNN-DNQXCXABSA-N 471.948 4.987 50 1 JJGF O=C(CCCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328836 VYNGLPSACDLYCN-NOZRDPDXSA-N 453.897 4.531 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 587329216 XMYYEXNQHLKXKM-ATIYNZHBSA-N 479.891 4.554 50 1 JJGF COC(=O)c1cccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587671714 AHULRTPCWRTHCN-JEOXALJRSA-N 471.164 4.548 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587679225 FRCRDAHNXZVRLI-PRRBCFSJSA-N 475.196 4.602 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587682949 FCIIWQMNTAXRRC-URFZZILJSA-N 461.803 4.956 50 1 JJGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587689747 VOCNTIUNKGEEIS-MZFXBISCSA-N 465.794 4.902 50 1 JJGF COc1cc2c(cc1OC)[C@@](CCl)(c1c[nH]c3ccccc13)N(C(=O)c1ccccc1N)CC2 963135843 FNDGERGQTHQEJE-MHZLTWQESA-N 475.976 4.948 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587682944 FCIIWQMNTAXRRC-RAJNIJHNSA-N 461.803 4.956 50 1 JJGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)CC(=CC1)CO4)C3=O 2356585587 VCCIXRCEOVYCCA-DPSWKAHMSA-N 463.357 4.895 50 1 JJGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538447 FAWPXGUUEZJDTI-VYOVGOFPSA-N 491.341 4.981 50 1 JJGF CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673651 OYBBWUJAXMMOIO-FKIZINRSSA-N 485.191 4.938 50 1 JJGF N#CSC[C@@]1(c2cccc3ccccc23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962666173 MMHRYYJVTGZGRZ-SXOMAYOGSA-N 453.567 4.944 50 1 JJGF C=C(CC[C@@H]1OC1(C)C)[C@H](Br)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1 2356537126 IQWIQURCMLANFO-YAEFPPOVSA-N 493.438 4.548 50 1 JJGF CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 103210775 CDSURLZSCMAWKE-NHFXJNLRSA-N 484.555 4.999 50 1 JJGF O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)cc2N1 587568947 GMKGMAQYNZNVDG-XUZZJYLKSA-N 453.853 4.512 50 1 JJGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587671877 VLPYYXHCWJVQDA-BXJCWQANSA-N 485.191 4.913 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(c4ccc(F)cc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106084 QKRIONGWEFKHQZ-OKGDRXONSA-N 474.617 4.588 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587685801 BHAWPJHFNUAIRA-CNBXIYLPSA-N 499.211 4.666 50 1 JJGF O=C(O)c1ccc(-n2cc(/C=N/NC(=O)c3ccc4ccccc4c3O)c(-c3ccccc3)n2)cc1 1772601369 HXVKYYQNKMNWBE-MUFRIFMGSA-N 476.492 4.860 50 1 JJGF CC(C)(C)N(NC(=O)c1ccc(I)cc1)C(=O)c1ccccc1Cl 103181153 XVGIYJFMSOEXKP-UHFFFAOYSA-N 456.711 4.530 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C(Br)Br)(C(F)(F)C(F)(F)F)O2 587380338 DGZAGOLTTAPEBG-NSHDSACASA-N 467.026 4.595 50 1 JJGF COc1ccc(C)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538959 SNITWQHCPKJUQA-NFBKMPQASA-N 455.304 4.961 50 1 JJGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539720 XWFQKKIEOJRMLS-UCFCWBNQSA-N 483.314 4.576 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673243 LRUXIUNHMHUQKS-GTJPDFRWSA-N 496.218 4.670 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 587735187 WYXPADKBCVGOLJ-CYKIYJRWSA-N 489.154 4.743 50 1 JJGF C=C(C=O)[C@@H]1CC(=O)C=C2[C@H](OC(=O)C=CC=C[C@H](C)C[C@H](C)CC)CC[C@@H](C(=O)O)[C@]21C 2356560162 PDQFETFKTODSNI-IEQKSWCASA-N 456.579 4.854 50 1 JJGF CC[C@@H]1OC(C)(C)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@]1(C)O 2356695771 WLESBISKGZXAHE-UWQCJCJPSA-N 470.726 4.880 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c[nH]c2ncccc12 587537743 JVWXDRIOTNAJCE-XMSQKQJNSA-N 451.276 4.521 50 1 JJGF CC(C)(Br)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539019 UEYLOMHFQPLFRN-KDOFPFPSSA-N 456.130 4.661 50 1 JJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cccs1)C(Br)Br 963633411 HYNNRSZBHIHMEP-BTDLBPIBSA-N 461.219 4.659 50 1 JJGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(-c3cccc(CCC(=O)O)c3)c1)(C(C)C)C(C#N)=C(N)O2 1772606788 MGFALDRJNSGSKD-AREMUKBSSA-N 460.509 4.570 50 1 JJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCCO)[C@]42CC3=O 2356529022 QGUBUYXZODWBNX-BBXNVYKWSA-N 465.729 4.648 50 1 JJGF COc1cc2c3c(c1)O[C@@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@@]4(C)CBr)[C@@H](C2)C3=O 587412932 KLGFTEDWJRIKHB-YQBMYJBJSA-N 470.201 4.776 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)(C3CCC(F)(F)CC3)N12 962645968 SHQXJTBITJFHAO-YADHBBJMSA-N 467.354 4.749 50 1 JJGF Cc1cc([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1-c1cc(F)cc(F)c1 962926770 VFWWNWKCTDGFME-VWLOTQADSA-N 457.952 4.702 50 1 JJGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 40447683 OUOFFBNPZIVGHE-KEAQMPSKSA-N 451.504 4.544 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101470956 NYJRVVZQFCMWJL-ZBWUAFSASA-N 464.530 4.956 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587686390 UVDIRKNLMLAKFT-GTJPDFRWSA-N 451.767 4.880 50 1 JJGF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NNC3CCCCC3)[nH]c3ccc(Cl)cc23)c1 35833581 FGCRASIAOBQHTD-UHFFFAOYSA-N 459.999 4.838 50 1 JJGF NNC(=O)CCCCCCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657866 CGPWBIFDPVBTGO-UHFFFAOYSA-N 466.557 4.734 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689067 PJGFLSOMQRSYFD-DYLYQXKESA-N 457.771 4.725 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724700 LHZJBXJUFRQEKZ-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)O2 587374241 VIBPOTIYSMJJRG-VWLOTQADSA-N 452.938 4.872 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587672540 GKODARZXADWBKX-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587687222 ZDMFJHTZSDHUED-YEJXKQKISA-N 451.767 4.732 50 1 JJGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1cccc([N+](=O)[O-])c1F 962374437 PUYQYPZZCLCBKW-FQEVSTJZSA-N 464.360 4.831 50 1 JJGF COc1cccc([C@@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)c1F 962703582 NKAYLMVYFLHPKV-LHSJRXKWSA-N 454.380 4.976 50 1 JJGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84652860 KTXIAYWJOMTQIX-WMZHIEFXSA-N 487.302 4.710 50 1 JJGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 195439657 VEQWCMPWJQSEBK-GRPWRLQVSA-N 464.719 4.992 50 1 JJGF NNC(=O)c1ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2c1 586975076 AAXOVSSRDAJXFG-UHFFFAOYSA-N 483.757 4.695 50 1 JJGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 587547199 ZJSYRSUQHKEVAQ-QPPBQGQZSA-N 450.878 4.884 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689053 PCRLEFIJIJFBME-SBKAZYGRSA-N 457.771 4.726 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587725514 QRDHOPZRBRRUBS-XTZNXHDOSA-N 461.144 4.909 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849894 BOVAGXZHGSUXDE-WMRHFDQTSA-N 475.811 4.668 50 1 JJGF Cc1ccc(/C=N/NC(=O)N2CCc3ncnc(Nc4cccc(C(F)(F)F)c4)c3C2)cc1 1857756023 NLAXMHQWTOCNAO-XKJRVUDJSA-N 454.456 4.649 50 1 JJGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@@](C)(CCC=CC(C)(C)OO)[C@@H]1C=COC(=O)C=C(C)C 2356370328 ZNBNYYUOWWKVCP-VVZHRXSXSA-N 462.583 4.723 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O 587487218 NFWBBKNDTRUDKW-XMMPIXPASA-N 473.978 4.791 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587681378 KQKVWPBCZZEPDC-USWIMTBHSA-N 475.196 4.602 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587686975 YCUBTVILRHZNTK-ODXCJYRJSA-N 453.739 4.561 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(F)c2O)N1 587719715 LPAZMKORXSNARZ-WNWIJWBNSA-N 465.107 4.745 50 1 JJGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC=C([C@@H]2C(C=O)=C3C[C@H](O)CC[C@]3(C)[C@H]2C=O)[C@@]1(C)C(=O)O 2356703050 JOTHWTICYBJQAR-MGKGZPJNSA-N 456.623 5.000 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45287222 CEWYWQIDXVLOPB-OAQYLSRUSA-N 465.575 4.715 50 1 JJGF COc1ccc(/C=N/C2=C(C#N)[C@@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313706 GTEIPBYBXYAZMS-DBTCDKBMSA-N 469.589 4.808 50 1 JJGF CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C(=O)NN)ccc6[nH]5)cc4)nc(O)c23)C1 587040044 WEDYBZWSPJIFIF-CYBMUJFWSA-N 484.585 4.726 50 1 JJGF COc1ccc(OC)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587674285 VUJRXEMEOHSJGR-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 587735188 WYXPADKBCVGOLJ-KRNUTZAJSA-N 489.154 4.743 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587848439 OMCUSNAKDWUKKP-BFKGZMGPSA-N 459.812 4.691 50 1 JJGF COc1cc2c3c(c1)O[C@@](c1ccccc1Br)([C@@H](C)Br)[C@@H](C2)C3=O 587415150 QEFMSSZPGOVPDQ-MPSXMAJESA-N 452.142 4.884 50 1 JJGF CC(=O)N1CCc2sc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C1 587859462 WXZIFDRTFWHXKA-GIPWTMENSA-N 471.823 4.571 50 1 JJGF CC(C)(C)c1ccc(-c2noc(C(=O)NNC(=S)Nc3cccc(C(F)(F)F)c3)n2)cc1 1047242 CBJKKUZKXZJCFF-UHFFFAOYSA-N 463.485 4.684 50 1 JJGF COc1ccc(C)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538960 SNITWQHCPKJUQA-NZQKXSOJSA-N 455.304 4.961 50 1 JJGF COc1cc(/C=N/NC(=O)c2ccc(O)c(O)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439107 JVTKREBQPUBQLX-MZJWZYIUSA-N 464.518 4.581 50 1 JJGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(CCCC(=O)O)C(=O)CCl 58615668 QETVJZPJOLUZKT-SOMXGXJRSA-N 481.004 4.652 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687428 GSIDIJHSHUXCMA-WHEQGISXSA-N 475.793 4.878 50 1 JJGF CC(C=O)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O 2356874574 YXAXVZCQERJFJA-IIWDCEPRSA-N 484.677 4.987 50 1 JJGF C=C(/C=C/C=C(/CO)[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 34473834 XVFORSWJIMCHND-HWEIDYSJSA-N 486.693 4.970 50 1 JJGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 963260574 YMJKLNAYBBDQEP-HXOBKFHXSA-N 489.440 4.554 50 1 JJGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4[nH]c(-c5ccc(C)s5)nc4cc32)cc(OC)c1OC 1857765624 WBIAEXVKWHPBKA-JOCHJYFZSA-N 474.542 4.844 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546260 VIRCEQCUGRVHDK-SXWKCWPCSA-N 453.288 4.578 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686545 VQFWPMVMGXTQJG-MQJDWESPSA-N 465.750 4.873 50 1 JJGF O=C1N(CCCl)c2cc(Br)ccc2[C@@]12c1ccsc1CCN2Cc1cccnc1 962992472 GRDPBTTZUKVTIO-JOCHJYFZSA-N 488.838 4.793 50 1 JJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(Cl)nn1 963199749 YSHLRBNVPUVPEI-KNQAVFIVSA-N 453.771 4.891 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(CCl)n2)c(F)c1 587894466 LDDFQYXKHCLCEL-UHFFFAOYSA-N 452.700 4.632 50 1 JJGF S/C(=N\C1=N[C@H]2C=CC=C[C@@H]2S1)SS/C(S)=N/C1=N[C@@H]2C=CC=C[C@@H]2S1 27192152 WFISZLOIRJZEMU-USZNOCQGSA-N 454.718 4.871 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C[C@H]1C 587545278 QFZJUDFCNYTAPO-NQQGWXOOSA-N 463.917 4.786 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3oc2=O)N1 587673448 MVXHPAJUZSVDKP-YBTHPKLGSA-N 481.159 4.867 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(F)c2O)N1 587719703 LPAZMKORXSNARZ-CQLKUDPESA-N 465.107 4.745 50 1 JJGF COc1ccc(Br)cc1[C@@]1(CBr)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963632014 DSZPLGDEEKCUIX-FKIZINRSSA-N 485.216 4.648 50 1 JJGF COCC1=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@H](CC(C)=O)C1=O 95913719 FLCCFFRXIUCVFQ-JPDPOTHHSA-N 462.583 4.987 50 1 JJGF biogenic,in-vitro COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)c1 102414475 RLHJVTWORBHNIE-POTDNYQPSA-N 470.573 4.687 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587849816 WBWHAPCZXNJWBL-XLFHBGCDSA-N 477.193 4.609 50 1 JJGF C[C@](Br)(CCl)[C@@H](Cl)C[C@@H](Br)[C@@](C)(Cl)[C@H](O)CBr 238741305 LOMNENCPZCYWPU-MQIGXGKASA-N 498.308 4.893 50 1 JJGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCC2=CCCCC2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504235483 RCDJEKRGEWVOFY-SJUQIGKKSA-N 491.625 4.525 50 1 JJGF biogenic CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N3CCCC3=O)cc1)CC2=O 587456297 MOYLYQLHFIFOKA-QHCPKHFHSA-N 458.352 4.727 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1ccc(N2CCCC2)cc1 963038317 SAEYJOJJGYTGER-DEOSSOPVSA-N 452.396 4.628 50 1 JJGF C=C(/C=C/C=C(\CO)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 238768795 PFWNRJSLKAVWGD-FHBASIPBSA-N 486.693 4.970 50 1 JJGF C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369461 IPWBUPNNNGUSDX-PINLKFFASA-N 489.952 4.785 50 1 JJGF CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544309 NQGIFWMCFTXCQU-PYCXMFPASA-N 479.960 4.945 50 1 JJGF C[C@H](Br)[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587671452 SBUXJDOMXWGBLD-LHGDVCQASA-N 458.007 4.885 50 1 JJGF C[C@H](Cl)C(=O)Nc1c([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)oc2ccccc12 962668599 PCPNTJSECVVMGG-FGSJYPJCSA-N 491.975 4.909 50 1 JJGF Cc1cccc(-n2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nn2)c1 587327324 PCHQAADTPAUPQD-UKILVPOCSA-N 463.896 4.914 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587848964 QHBBNNPGSNLCEP-XLFHBGCDSA-N 477.193 4.609 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689052 PCRLEFIJIJFBME-FVINQWEUSA-N 457.771 4.726 50 1 JJGF O=[N+]([O-])c1ccccc1[C@]1(CBr)NC2(CC2)Cc2ccc(Br)cc21 961615569 PSVOPQFAXJLPQX-SFHVURJKSA-N 452.146 4.674 50 1 JJGF O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N/N=C/c1ccc(Br)cc1 1857637513 BBFYCPDLVSTMHI-VULFUBBASA-N 477.314 4.752 50 1 JJGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)COc2ccccc2)c1NCc1ccccc1 13491855 FPKBMMVUTRICIV-IBGZPJMESA-N 464.953 4.907 50 1 JJGF CC(=O)OCC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 299810230 NLSUODIKTXXGJU-ICGSFKCUSA-N 453.406 4.867 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 587372057 JIXZHYNGDGICBF-RMKBEBRYSA-N 460.917 4.596 50 1 JJGF COc1cc2c3c(c1)O[C@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@]4(C)CBr)[C@@H](C2)C3=O 587412927 KLGFTEDWJRIKHB-GUHCSECGSA-N 470.201 4.776 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 587685818 RQXMXQYQMZIIKB-MPBGBICISA-N 453.739 4.561 50 1 JJGF O=C=Nc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br 587892816 YYNITFMREBXPAR-UHFFFAOYSA-N 456.098 4.573 50 1 JJGF COC(=O)c1ccc(COc2cccc(/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)c2)cc1 1857753040 PEUIEWVDCICIQO-FJEPWZHXSA-N 478.508 4.846 50 1 JJGF CCC=CC[C@H](Br)[C@H](C[C@@H]1O[C@H](C=C=CBr)C[C@H]1OC(C)=O)OC(C)=O 2356379846 JRQQPVJNDFEESP-DWYLZMSRSA-N 494.220 4.581 50 1 JJGF COc1ccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCC5)N3C3=C2C(=O)CCC3)cc1OC 1024954 PBWPXZIHLCJDJI-QFIPXVFZSA-N 486.597 4.709 50 1 JJGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 40368851 KIPNYWJLWBWXIJ-QHHRZPEUSA-N 495.445 4.576 50 1 JJGF CCOC(=O)C1=C(N)OC(c2c(C)[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)c1cccc3cccc2c13 53243336 ODPSXPHJKFQIOT-GDLZYMKVSA-N 475.504 4.762 50 1 JJGF CN(C)CCC(=O)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 299827062 VPBPYFLQWSKHQD-UHFFFAOYSA-N 466.413 4.505 50 1 JJGF COc1c(F)cccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555235 FZSBQYSSVAFABL-GCJKJVERSA-N 459.267 4.792 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(F)(F)C(F)(F)F)N1 587711682 XUTHNAOEFMUJCL-KSBSHMNSSA-N 455.034 4.910 50 1 JJGF C/C(=N\NC(=O)c1ccc(Br)cc1Br)c1cc(Br)ccc1O 1857563575 WSYIJJPEQGUHFW-UFWORHAWSA-N 490.977 4.834 50 1 JJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 587459348 HYVOMIMGYMONRL-MHZLTWQESA-N 475.928 4.975 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587674290 VUZULNPMVTVAKQ-SZNDQCEHSA-N 498.234 4.598 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587689527 UBOWIBYGUUWDJC-FRKIPOMISA-N 457.771 4.725 50 1 JJGF C=CCN/C(SCC(C)=O)=C(\C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957852774 FJCGXTOUAQDHAL-VYIQYICTSA-N 468.582 4.654 50 1 JJGF C[C@H](Br)[C@@]1(c2ccccc2F)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962706471 XPENQXMEWZVOHZ-ORCHDJNQSA-N 464.228 4.610 50 1 JJGF CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]23CC[C@]1(C)OO3 1857646389 LWWKEGHSAJFHQB-CPJZLKBRSA-N 472.666 4.849 50 1 JJGF NNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)CC(=O)c1ccc(Cl)cc1 28712359 BZEKFRWUAJPCJS-HMMYKYKNSA-N 456.933 4.839 50 1 JJGF 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=O)[C@@]3(C)CC[C@H]21 39036134 AWDPTRZXHHZHKD-XNVAUWEOSA-N 470.606 4.921 50 1 JJGF CC(=O)NC1=C(C#N)[C@H](c2ccc(C)cc2)C([S@](=O)c2ccc(C)cc2)=C(c2ccccn2)O1 1857640650 TXWOLJAPIJQENQ-YUYWZBKDSA-N 469.566 4.860 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587323679 MEWRCPOEYPFSCS-WLXJBKMTSA-N 457.885 4.642 50 1 JJGF C[C@H](Cl)C(=O)Nc1c([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)oc2ccccc12 962668608 PCPNTJSECVVMGG-WZSAMGOESA-N 491.975 4.909 50 1 JJGF O=C/C=C\C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C\C=O)cc3)c2)cc1 207689768 BFNFDDZOFCRJTI-PORYWJCVSA-N 456.454 4.658 50 1 JJGF in-vitro CC1=C[C@@]2(C)OO[C@H]1[C@]1(C)[C@H](C(C)=C[C@]3(C)O[C@H](C)[C@]4(C)O[C@H]34)[C@](C)([C@H](O)[C@H](C)C(=O)C(C)C)[C@@H]21 2356825315 HBYUNGWMFHIERU-OXQYZEESSA-N 488.665 4.797 50 1 JJGF N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5722450 NSESCDYZPCIYJX-SPOTZWPWSA-N 491.334 4.969 50 1 JJGF COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586970924 IOJQXEPTGHBPGJ-MRXNPFEDSA-N 472.792 4.878 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672667 HAJHNSRFNGPCRP-BTDLBPIBSA-N 458.125 4.669 50 1 JJGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](Br)C2 587680237 HZIKZNSCDXINAW-ZJEXCSKESA-N 455.165 4.694 50 1 JJGF Oc1ccc(Br)cc1[C@@]1(CBr)c2c(F)cccc2C[C@H]2CCCN21 963101677 LNVSJEJTFZYDPD-KUHUBIRLSA-N 455.165 4.953 50 1 JJGF CCCCC(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772600606 MHAFMOWQQJBMRF-FYWRMAATSA-N 454.534 4.823 50 1 JJGF O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cc2ccccc2[nH]1 195121191 QRFRSXPAWWZLOU-VWLOTQADSA-N 483.377 4.605 50 1 JJGF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 586937353 LWDFHDUAQOYSOG-QLJPJBMISA-N 487.472 4.629 50 1 JJGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322408 GZHJNJWCLLNFJC-YBJNYKISSA-N 453.897 4.529 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)CC(=O)O)N1 587670295 JQSRSACRFDNQBT-JPJOULJCSA-N 471.164 4.604 50 1 JJGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CCC=CC(C)(C)OO)[C@H]1C=COC(=O)C=C(C)C 2356370326 ZNBNYYUOWWKVCP-MCEYFSPLSA-N 462.583 4.723 50 1 JJGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@](O)(C#CCCCI)[C@@]3(C)CC[C@H]12 26004391 ZENXUIUPBLAJTM-QAGMZRMBSA-N 497.461 4.800 50 1 JJGF O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 587329467 XXTRAZWMYXHQSN-ILBGXUMGSA-N 451.881 4.909 50 1 JJGF CN1C(=O)CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587539675 XHMCRLURAJULQO-RCZVLFRGSA-N 494.341 4.553 50 1 JJGF COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)/C(C#N)=C/C4CC4)c3)n2)cc1 621431601 QWOFYEGFJFPGNV-QGOAFFKASA-N 488.523 4.927 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl 85635089 OFHJKWNSOIQOPB-PRRZWCCVSA-N 462.970 4.875 50 1 JJGF in-man C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@H]2COc3ccccc3O2)N1 587672840 ILVRBOAAXUDCEW-ZBJVWZGCSA-N 471.164 4.553 50 1 JJGF CCOC(=O)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)c1ccccc1 43845649 FPEQFAHPKQUFAG-BGGOPBFFSA-N 460.567 4.906 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCCO5)c1C)[C@@H](C2)C3=O 587416505 AKZLYWZUCMQCIY-FNZWTVRRSA-N 465.933 4.756 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689054 PCRLEFIJIJFBME-WVDJIFEKSA-N 457.771 4.726 50 1 JJGF FC12CC3C[C@@H](C1)C1(OOC4(CCC(c5ccc(OCCN6CCOCC6)cc5)CC4)O1)[C@@H](C3)C2 1772638415 NGSNHZNRNPUWAF-KNDOTZFGSA-N 487.612 4.974 50 1 JJGF CCCCCCCC[C@H](Cl)[C@H](O)CC=CC=C[C@@H](O)CC(=O)NC1=C[C@](C)(CC)OC1=O 2356715072 PGBQPIINQSJCRD-GFMPLVLUSA-N 470.050 4.684 50 1 JJGF Cc1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 40406310 LXMIUXCPSCWEDN-WMZOPIPTSA-N 494.005 4.658 50 1 JJGF CCOP(=O)(OCC)[C@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1Br 73258577 WLHAKABOPIOJDN-FQEVSTJZSA-N 495.314 4.535 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O 587485000 IRHBUMSXVDKVGN-XMMPIXPASA-N 473.978 4.873 50 1 JJGF CCOC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539037 UQIYVEXWIBVTEI-HYBUGGRVSA-N 483.314 4.821 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587687081 YSIGYIUQANGICK-MQJDWESPSA-N 465.750 4.873 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689070 PJGFLSOMQRSYFD-GNGCRJPWSA-N 457.771 4.725 50 1 JJGF CN(C)CCSSCCNC(=O)[C@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C 618008212 BXVHMXGJPKXTDI-OAQYLSRUSA-N 469.676 4.594 50 1 JJGF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O 587459791 PTQVOXDTZMKPOH-CBJTVTONSA-N 468.388 4.889 50 1 JJGF CCOC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539036 UQIYVEXWIBVTEI-GBXCKJPGSA-N 483.314 4.821 50 1 JJGF Cn1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c2ccccc21 962931679 XSSJUBPIYUEONI-JYFHCDHNSA-N 462.933 4.758 50 1 JJGF CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 103210778 CDSURLZSCMAWKE-YDJIHCHBSA-N 484.555 4.999 50 1 JJGF C=C(C=O)[C@@H]1CC(=O)C=C2[C@H](OC(=O)C=CC=C[C@H](C)C[C@H](C)CC)CC[C@H](C(=O)O)[C@@]21C 2356560165 PDQFETFKTODSNI-KHSVMTBDSA-N 456.579 4.854 50 1 JJGF CC1=C[C@@]2(C)OO[C@H]1[C@@]1(C)[C@@H]2[C@@](C)([C@H](O)[C@H](C)C(=O)C(C)C)[C@H]1C(C)=C[C@]1(C)O[C@H](C)[C@]2(C)O[C@H]12 2356825316 HBYUNGWMFHIERU-RUVFHDENSA-N 488.665 4.797 50 1 JJGF N#C/C(=C\c1ccccc1Cl)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccccc1Cl 13676725 MVMBYVQSQDBWNY-IWGRKNQJSA-N 467.356 4.520 50 1 JJGF O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccccc1C(=O)O 4468614 CZMOZOSYUPLWGS-ZMFRSBBQSA-N 478.961 4.679 50 1 JJGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587372602 JWLGKNJKBZODRV-SFHVURJKSA-N 455.146 4.604 50 1 JJGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(F)cc(CBr)c2)N1 962700259 QHQGXBXPWPWRPP-HZPDHXFCSA-N 450.201 4.567 50 1 JJGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C=O)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)O 2356761051 DEDBNJZUCABJGJ-XNQZQSBYSA-N 456.579 4.832 50 1 JJGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 962926038 KYQLRGWFXDAYIH-RDJZCZTQSA-N 496.226 4.571 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685144 NWJQJOJMHWRVOU-GTJPDFRWSA-N 451.767 4.514 50 1 JJGF Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587671925 BKTXEOKNBVGZRJ-ZMZPIMSZSA-N 472.152 4.978 50 1 JJGF COc1c(F)cccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587715484 CRHDUIMDLQAPCM-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF COc1cc2c(c3oc(=O)ccc13)[C@H](OC(=O)c1ccccc1)[C@@H](Br)C(C)(C)O2 40934170 KAGMIZGXRMHYAN-VQTJNVASSA-N 459.292 4.634 50 1 JJGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)cc2c1 45317023 HXTOCPLOGIPMSZ-GOSISDBHSA-N 487.991 4.698 50 1 JJGF 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(OC)cc1 101186493 YDLQDYFGDUDEQF-AEPIFAQFSA-N 490.593 4.914 50 1 JJGF COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC 143640526 UONYAMWNGJIPBM-HSZRJFAPSA-N 468.488 4.914 50 1 JJGF O=C1CSc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 587617572 KJUQFXHUVGIKTA-NFBKMPQASA-N 453.903 4.532 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(OCCCBr)cc3)N12 962675373 WQSHZTNAEKCULC-ZJSXRUAMSA-N 469.379 4.587 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587538048 MLUASZKZXNTGIU-SXSPYAJSSA-N 475.335 4.611 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587685543 UGZVGJOHVVRUEN-FRGNPEFRSA-N 492.227 4.722 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)c2cccc(F)c2CCN1[C@@H]1CCSC1 962721690 WCSCVQLGPJEHGL-MPHOGZCYSA-N 469.047 4.735 50 1 JJGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)c(Cl)c2)cc1 96284134 IRIZCFXDLFRKAO-OAQYLSRUSA-N 477.327 4.654 50 1 JJGF CCOCCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC 103210782 FVAVQFTVBKOPJA-YDJIHCHBSA-N 484.555 4.996 50 1 JJGF C=C1C[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O 1857581261 SZGQTKQSDGZCFY-NTAIRCGUSA-N 453.804 4.720 50 1 JJGF CC(C)CN(NC(=O)c1cccc(Oc2ccccc2)c1)c1nc(C#N)ncc1Br 58575064 MBAXKZGKKLZWRC-UHFFFAOYSA-N 466.339 4.710 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587319699 CQSGMSWZPFIRSI-XUZZJYLKSA-N 485.305 4.967 50 1 JJGF C[C@@H](CBr)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587874539 AVDFEYUUDXGISU-AWEZNQCLSA-N 455.179 4.866 50 1 JJGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2nc3ccccc3[nH]2)N1C(=O)c1ccccc1 963450593 VCGHXAJYEYKVQB-CUNXSJBXSA-N 484.943 4.678 50 1 JJGF Cc1cc(SCC(=O)N/N=C/c2ccc(OC(F)F)c(OC(F)F)c2)c2ccccc2n1 72110246 NVIRJBLAOGKOOQ-NSKAYECMSA-N 467.444 4.988 50 1 JJGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)cc2Cl)cc1 96284132 ZWCNZOPCCPRNOQ-OAQYLSRUSA-N 477.327 4.654 50 1 JJGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587418027 RFEZHSMREISXEX-QFQXNSOFSA-N 465.933 4.771 50 1 JJGF CSc1ccccc1[C@@]1(CBr)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709642 QWTWANVVGIHCCN-MAUKXSAKSA-N 478.305 4.804 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=CCC[C@H](C)CC)CC[C@@H]2C(=O)OC 2356805346 VGRLZLRYWXXGNZ-LHOWQWRCSA-N 456.579 4.697 50 1 JJGF O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCCC1 8666146 RYRMQOBLCPDLEU-MIXAMLLLSA-N 497.555 4.594 50 1 JJGF Cn1c([N+](=O)[O-])cnc1[C@@H](Br)[C@@H](Br)c1ccc(Br)cc1 44307417 BPPBPSKUILPGCY-QWRGUYRKSA-N 467.943 4.663 50 1 JJGF C[C@](Cl)(CBr)[C@@H](O)CCC(=CBr)[C@H](Cl)CBr 2356645656 YSWYAMBFCRENQC-UTLUCORTSA-N 461.847 4.801 50 1 JJGF CC1(C)C[C@@](O)(C[C@@H]2CC[C@@]34[C@@H](Br)CC[C@@](C)(O[C@@H]3O)[C@@H]24)CC[C@@H]1Br 238749174 WDJJPAMUJVXVLI-UOBLCKEHSA-N 480.281 4.758 50 1 JJGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587328832 VYMDMLVIZPQGCS-YKSBVNFPSA-N 457.885 4.756 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CBr)(CCCN1C(=O)c3ccccc3C1=O)CC2=O 587455774 FRJHDMWTPSVJPZ-DEOSSOPVSA-N 486.362 4.520 50 1 JJGF COC(=O)c1cccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587674353 WIGLMNCRWICDGL-WLRWDXFRSA-N 471.164 4.548 50 1 JJGF CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684091 KIJXSLTUMUGINE-RCDICMHDSA-N 467.810 4.674 50 1 JJGF CCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 1772599689 YZVDQNOMOPIMEW-NFFVHWSESA-N 463.950 4.633 50 1 JJGF C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)C/C=C/C=C(\C#N)[C@H]1O 73351200 OJCKRNPLOZHAOU-JUGGOXOZSA-N 489.653 4.636 50 1 JJGF in-vitro O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285279 VXMAVOVGRDZYOK-UHFFFAOYSA-N 460.386 4.735 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@H]1c1ccc(F)cc1 587332139 JEJFJZASMGOHLF-LADGPHEKSA-N 467.859 4.744 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 587674696 ZNLJDPBKHNXRBT-NSPYISDASA-N 455.165 4.696 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169299064 OJCKRNPLOZHAOU-AHFAUXHYSA-N 489.653 4.636 50 1 JJGF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)c(Cl)c2)N1C(=O)CCl 66100997 XFDLAGZBCJIJGU-XLIONFOSSA-N 451.737 4.729 50 1 JJGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C 95563326 FUXCBQGKUZMZDY-UFFVCSGVSA-N 465.145 4.563 50 1 JJGF COc1ccc(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587540054 ZOTZSIFSDZGBLV-REWPJTCUSA-N 471.303 4.661 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c[nH]c3ncccc23)N1 587672436 FVDIJLVFNDHMBI-MLCYQJTMSA-N 453.153 4.637 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 587688712 NJXWFZNIPNHXKH-ILEMRCLNSA-N 461.766 4.854 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H](Br)CC(=O)O)N1 587847575 LNGAOGKMDHGXBM-CIBPLQMKSA-N 477.193 4.666 50 1 JJGF COC(=O)[C@]12CCCC(C)(C)[C@@H]1[C@H](Cl)C(=O)c1cc(C(C)C)c(OC(C)=O)c(OC(C)=O)c12 1857572492 NQQCRPGVPOOHMH-MOADCYBESA-N 478.969 4.701 50 1 JJGF CCOc1cccc(/C=N/NC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c1O 96938921 VKTCJEKRRYZLIO-CCVNUDIWSA-N 458.440 4.641 50 1 JJGF CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@@H]1C(=O)c1c(O)cc(O)cc1C2=O 205075219 LUTUDNBLGPLGEH-KJDAXURYSA-N 499.431 4.823 50 1 JJGF CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673076 KAGNPHLHSXHKCY-BBATYDOGSA-N 465.201 4.692 50 1 JJGF CC1=C(C#N)CCC(=O)N1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884101 FONKRSVNLGFUSG-UHFFFAOYSA-N 466.368 4.624 50 1 JJGF COC(=O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587372815 GJMOOYLZVYLHKS-GMAHTHKFSA-N 460.910 4.802 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccsc3)N(CCCl)CCCl)cc(O)c21 1857542330 IJBUOJARHXEQRU-FQEVSTJZSA-N 476.381 4.804 50 1 JJGF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCCBr)cc2)cc1 114958567 CTIIIIVBHYCRON-UHFFFAOYSA-N 488.329 4.533 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 587672975 JHJCLPSCTXFVMR-FKIZINRSSA-N 485.191 4.922 50 1 JJGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(NCCc3nc4ccccn4c31)c1ccccc1C2=O 962988465 OJZNJBVIKJMJCB-RXBISOJRSA-N 491.378 4.536 50 1 JJGF Cc1ccc(NC(=O)CO/N=C2\CC[C@@H]3[C@]2(C)CC[C@@H]2[C@]34C=C[C@]3(C[C@@H](O)CC[C@]23C)OO4)cc1 1772599910 WLKDIBKSXKCPLA-OIVDQYCJSA-N 480.605 4.693 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 587371481 FUYPBLIVILJRFK-QGZVFWFLSA-N 450.149 4.568 50 1 JJGF COc1ccc2nc(Oc3ccc(F)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103189523 VMXWOWAPRWDPHJ-QHCPKHFHSA-N 457.461 4.990 50 1 JJGF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)[C@@H](C2)C3=O 587414939 PRWRQYMQIITFAX-XTQVGHSUSA-N 458.352 4.716 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 587672210 YERGZUPMYUUPIA-VZMUKZCBSA-N 471.164 4.604 50 1 JJGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3cccc(Cl)c3)ccc21 1857759261 RROFZSOCAJAQLB-MHZLTWQESA-N 495.982 4.670 50 1 JJGF COc1cccc2c(NCc3ccccc3)nc(-n3c(/C=C(/C#N)C(N)=O)cc4ccccc43)nc12 208177670 YFQAZGJOYGKWKS-HKWRFOASSA-N 474.524 4.587 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c[nH]c3ncccc23)N1 587672435 FVDIJLVFNDHMBI-MGNBDDOMSA-N 453.153 4.637 50 1 JJGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1ccc(O)cc1O 1772625294 HLNHTEVCULIBTL-ORBVJSQLSA-N 496.886 4.741 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc([N+](=O)[O-])cc1Br)O2 587375441 SLYAIRCOHXZRBL-KRWDZBQOSA-N 470.117 4.504 50 1 JJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CBr)(C3CCC(F)(F)CC3)N12 962645963 SHQXJTBITJFHAO-VXKWHMMOSA-N 467.354 4.749 50 1 JJGF CC(C)CN(NC(=O)c1ccccc1Oc1ccccc1)c1nc(C#N)ncc1Br 58569457 WQLZWSPGMDTUNX-UHFFFAOYSA-N 466.339 4.710 50 1 JJGF C[C@](Br)(CCl)[C@H](Cl)C[C@@H](Br)[C@@](C)(Cl)[C@H](O)CBr 140477958 LOMNENCPZCYWPU-GRDBIXFFSA-N 498.308 4.893 50 1 JJGF Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587673168 KZDDDTMONJVIPV-ZMZPIMSZSA-N 472.152 4.978 50 1 JJGF O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1ccc([N+](=O)[O-])cc1 299857836 DCMJFSRYJJGBFD-UHFFFAOYSA-N 471.556 4.894 50 1 JJGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccccc1OCC(F)F)N(C)[C@H](C)C2 962619574 DOOVZEANWAFKMC-JLCFBVMHSA-N 470.354 4.863 50 1 JJGF N#CC1=C(N)OC(c2ccccn2)=C([S@](=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 1857639967 NFMKLQHJRCNTTO-NLINSNCNSA-N 478.917 4.627 50 1 JJGF Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2CC[C@H](Br)C[C@@H]32)cc1 31899077 GZQZQXYQSMMYQJ-KKSFZXQISA-N 459.409 4.643 50 1 JJGF CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@@H](Br)[C@@H]2C1=O)[C@](C)(Br)C3=O 96928270 LMYQVRWBHIOPQJ-MOVWKIFUSA-N 472.217 4.522 50 1 JJGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]12C(C)(C)[C@H](Br)CC[C@@]2(C)O 140213694 HIEJSMLBNOIBOO-YEOSBJMGSA-N 474.661 4.794 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccccc3F)N(CCCl)CCCl)cc(O)c21 473085068 VHNGJQZAQYYNBT-JOCHJYFZSA-N 488.342 4.881 50 1 JJGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 963228284 RINSHRGGDIULKK-AZGAKELHSA-N 473.916 4.891 50 1 JJGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)COc2ccccc2)c1NCc1ccccc1 13491854 FPKBMMVUTRICIV-LJQANCHMSA-N 464.953 4.907 50 1 JJGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 169290018 KIPNYWJLWBWXIJ-FDTBGVKSSA-N 495.445 4.576 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587686392 UVDIRKNLMLAKFT-QKVFXAPYSA-N 451.767 4.880 50 1 JJGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642030 QUTCDKUUVQDOIZ-MENVHETRSA-N 478.692 4.865 50 1 JJGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2cccc(F)c2Cl)N1 962968474 CMEFUAJEYGYFTE-PXAZEXFGSA-N 469.084 4.648 50 1 JJGF CCCCCCCC[C@H](Cl)[C@H](O)CC=CC=C[C@H](O)CC(=O)NC1=C[C@@](C)(CC)OC1=O 2356715073 PGBQPIINQSJCRD-IXGWMPLNSA-N 470.050 4.684 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542168 FWKXQJMQBHALGT-NBGIEHNGSA-N 499.903 4.525 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587673408 MPAJWHMLXZQRSE-ZSEKCTLFSA-N 496.218 4.888 50 1 JJGF N#CC1=COc2cc(Br)ccc2[C@]12N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963190796 NWOIWLKCGIRSAJ-IFXJQAMLSA-N 499.670 4.764 50 1 JJGF COc1ccc([C@H](O)CNC(=O)/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1OC 1857747247 HQKGXYBDHYOKQP-XISXUPMFSA-N 457.643 4.951 50 1 JJGF 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(OC)cc1 101186490 YDLQDYFGDUDEQF-RQONKOAFSA-N 490.593 4.914 50 1 JJGF COc1cc2c3c(c1)O[C@](c1ccccc1Br)([C@H](C)Br)[C@@H](C2)C3=O 587415149 QEFMSSZPGOVPDQ-KDDHCUDTSA-N 452.142 4.884 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c[nH]c2ncccc12 587537736 JVWXDRIOTNAJCE-AVRDEDQJSA-N 451.276 4.521 50 1 JJGF CC(=O)NCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544892 PMBQKISBXKHBTR-OZXSUGGESA-N 465.933 4.557 50 1 JJGF COc1cc2c(cc1OC)[C@](CCl)(c1c[nH]c3ccccc13)N(C(=O)c1ccccc1N)CC2 963135841 FNDGERGQTHQEJE-HHHXNRCGSA-N 475.976 4.948 50 1 JJGF O=Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587319221 AUXVJLCOSUNQSJ-FYYLOGMGSA-N 471.278 4.699 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545402 RLAPVSVJHRZYDX-RDPSFJRHSA-N 455.894 4.610 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 587674276 VSJRQUHWELMBGO-MPBGBICISA-N 485.191 4.922 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688761 NXKUALQHXQYCJM-SBKAZYGRSA-N 457.771 4.726 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587681793 AVGXFWDUTPAQLS-MQJDWESPSA-N 451.767 4.835 50 1 JJGF COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587689986 YIEDELHVTBIZFT-QKVFXAPYSA-N 471.798 4.586 50 1 JJGF COc1cc2c(cc1OC)[C@@](CBr)(c1cc(-c3ccccc3)no1)N(C)[C@@H](C)C2 962623316 IHRLPPNOSXTCIN-WNSKOXEYSA-N 457.368 4.874 50 1 JJGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc3)o2)c(OC)c1 473247498 DPVMXHJPDSEMGX-VULFUBBASA-N 462.893 4.838 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C 587679212 FRCRDAHNXZVRLI-COJOCNLBSA-N 475.196 4.602 50 1 JJGF COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587687780 HXWAQVBXOGRYSL-DMZKTXOQSA-N 485.825 4.976 50 1 JJGF COc1ccc(F)cc1[C@]1(CCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963441200 AYLVSCVNLPQDHC-WXVAWEFUSA-N 492.934 4.950 50 1 JJGF N#Cc1cnn2c(Nc3ccc(C(F)(F)F)cc3)cc(CN(CCCl)CCCl)nc12 1772587416 POMJSVRFNZHZTA-UHFFFAOYSA-N 457.287 4.643 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587542190 FXTVLZFQSPCIAF-DVECYGJZSA-N 455.894 4.610 50 1 JJGF COc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587671754 AMOBQEUGJHVYIW-MLCYQJTMSA-N 488.151 4.678 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587682143 BJTCXMXRSKYNHT-YBTHPKLGSA-N 452.755 4.582 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)[C@H]2Br 962638994 OAMOGRVTTCURLL-HJSWUDGYSA-N 462.306 4.599 50 1 JJGF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857609596 SZVZLPOKYNPBJK-MRXNPFEDSA-N 463.421 4.647 50 1 JJGF CC(=CC[C@H](O)[C@](C)(Br)CCl)[C@@H](Cl)C(Br)Br 2356792422 JRSPMKLAEFXQJW-QXFUBDJGSA-N 461.847 4.799 50 1 JJGF COc1cc2c(cc1OC)[C@](CBr)(c1c(C)[nH]c3ccccc13)NCC21CCOCC1 963192198 QHRSRQHFWNJTMF-RUZDIDTESA-N 485.422 4.783 50 1 JJGF CC(C)[C@@H]1CC=C[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr 49767331 XQZDHNLVPFXQTQ-KKVUZGIASA-N 464.282 4.911 50 1 JJGF CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587328745 CFTIJMOZONLXHI-RSXGOPAZSA-N 485.914 4.842 50 1 JJGF COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587374442 YGCAZYVVKAWFEA-ILBGXUMGSA-N 450.922 4.693 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 587673333 MBLAXMZWRLIFSB-DYZYQPBXSA-N 458.125 4.669 50 1 JJGF C[C@@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962662650 LTDAGNJZGPJNCN-NDEPHWFRSA-N 478.011 4.789 50 1 JJGF O=C1N(CCCl)c2cc(Br)ccc2[C@]12c1ccsc1CCN2Cc1cccnc1 962992473 GRDPBTTZUKVTIO-QFIPXVFZSA-N 488.838 4.793 50 1 JJGF Cc1ccc(CSc2nnc(SCC(=O)NN/C=C3\C=Nc4ccccc43)s2)cc1 13119322 QXDWHVYNQKSBSU-LFIBNONCSA-N 453.618 4.609 50 3 JJGF N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5722451 NSESCDYZPCIYJX-CSJGFTQLSA-N 491.334 4.969 50 1 JJGF O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N/N=C/c1ccc(Cl)c(F)c1 73140210 ABXUHASZBUOQQA-MWRNPHMMSA-N 475.332 4.721 50 1 JJGF Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 169310621 CGQMUBQETZXNJH-JOCHJYFZSA-N 456.937 4.534 50 1 JJGF O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569714 IXTZAHRZSPPWPG-NOXFTYBFSA-N 487.277 4.627 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 587679319 LSUDJBVCGDYAIF-APBUJDDRSA-N 467.132 4.604 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587686212 SWXUKQOORLFGJG-YEJXKQKISA-N 451.767 4.732 50 1 JJGF O=C(NNCCCNCCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccncc1 1857645671 JNDXZAILBBURMP-UHFFFAOYSA-N 468.026 4.642 50 1 JJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 587459347 HYVOMIMGYMONRL-HHHXNRCGSA-N 475.928 4.975 50 1 JJGF COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689848 XDDSZPRAGHFKPX-QKVFXAPYSA-N 471.798 4.586 50 1 JJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1cccc(F)c1Br 963635728 OCQQHEKSVAYIJN-NSPYISDASA-N 473.180 4.778 50 1 JJGF CCOC(=O)[C@@H]1CCc2nc(SSc3nc4c(s3)C[C@H](C(=O)OCC)CC4)sc2C1 1772646343 ZKKCHDGKRNCYAB-VXGBXAGGSA-N 484.690 4.735 50 1 JJGF COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 594245 TZRBHYBSDPWVRW-WKULSOCRSA-N 473.529 4.747 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587673406 MPAJWHMLXZQRSE-LRTDBIEQSA-N 496.218 4.888 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 587674413 WLUDDDSTMMTABE-RNODOKPDSA-N 479.191 4.947 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(OCCBr)c1 587895055 BDHHMCHHBPVVMA-UHFFFAOYSA-N 459.142 4.617 50 1 JJGF C=C1C[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@]1(O)C(C)=O 1857581262 SZGQTKQSDGZCFY-ODIXWMNASA-N 453.804 4.720 50 1 JJGF Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2CC[C@@H](Br)C[C@@H]32)cc1 31899080 GZQZQXYQSMMYQJ-IERDGZPVSA-N 459.409 4.643 50 1 JJGF C=C(c1ccc(Br)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84652858 KTXIAYWJOMTQIX-AUSIDOKSSA-N 487.302 4.710 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)CCl)cc21 587374293 VRGXXHFJRONUCT-RUZDIDTESA-N 481.335 4.861 50 1 JJGF CCCCCCCC[C@H](O)[C@H](Cl)CC=CC=C[C@@H](O)CC(=O)NC1=C[C@](C)(CC)OC1=O 2356573270 HRCLCHPDQRHDBL-XTMHLJAPSA-N 470.050 4.684 50 1 JJGF COc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(Br)cc4)cn23)cc1 28708077 OGXZTVUOHGXFNC-FOKLQQMPSA-N 469.364 4.527 50 1 JJGF COc1cccc(OC)c1/C=N/NC(=O)Cc1csc2nc(-c3ccc(Br)cc3)cn12 28708096 QRUMWKUEPCWNMU-BHGWPJFGSA-N 499.390 4.535 50 1 JJGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C 96903367 UVOMHRSHJFJPNQ-FBHDLOMBSA-N 465.145 4.563 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 587673016 JNONSIPXDROKBT-NSPYISDASA-N 470.180 4.719 50 1 JJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(Cl)nn1 963199744 YSHLRBNVPUVPEI-DENIHFKCSA-N 453.771 4.891 50 1 JJGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 40861712 KAYROGMDEZFAIV-KVSWJAHQSA-N 494.338 4.793 50 1 JJGF CCS(=O)(=O)NCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586942836 PQLGQKUBNRHWBE-UHFFFAOYSA-N 472.299 4.855 50 1 JJGF O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc1C2 962901742 SRVOZVNNQHWXPX-BKMJKUGQSA-N 484.354 4.900 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 587672446 FXVFOXXNRHVEDB-BTDLBPIBSA-N 458.125 4.669 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c[nH]c3ncccc23)N1 587673214 LLBOLHJQCGDCAX-XTZNXHDOSA-N 453.153 4.637 50 1 JJGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]cc(C)c32)n(C)c1 1653509 PXXCJJGMHOTWOR-LFAOLKIESA-N 454.958 4.641 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610448 CHJBXXPDJGNUHY-RNXZCGPXSA-N 457.935 4.574 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686952 DRHPHYHYCIVFOF-OKHZJLECSA-N 467.810 4.672 50 1 JJGF COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C(C)C)cc1 16570112 OXMNWDAFLIEBLH-IQGLISFBSA-N 465.981 4.786 50 1 JJGF COc1cc(/C=N/NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 98082078 WHLUFTAMMOPSGQ-XODNFHPESA-N 474.439 4.634 50 1 JJGF CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@@H](OC(=O)COc3ccccc3)C(=CCC1)C2=O 195278985 DDVYJISDSDEARA-OIWYDCHPSA-N 462.618 4.604 50 1 JJGF COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587448125 HUNRSIKFIORFTJ-OUTSHDOLSA-N 450.474 4.942 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Br)CC2=O 587455708 FGPOPMHXTMPLPI-NSFRLNINSA-N 455.352 4.937 50 1 JJGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962643983 SORFPMBYWFVCIK-REWPJTCUSA-N 475.850 4.855 50 1 JJGF C[C@@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955406 KWVTYAKSGRGVKC-CMJOXMDJSA-N 467.915 4.855 50 1 JJGF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 586937350 LWDFHDUAQOYSOG-QFYYESIMSA-N 487.472 4.629 50 1 JJGF O=C(Cl)[C@@H](Br)CC[C@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279988 XLGFDXNMVZUSGQ-QWRGUYRKSA-N 467.497 4.596 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672669 HAJHNSRFNGPCRP-DYZYQPBXSA-N 458.125 4.669 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686953 DRHPHYHYCIVFOF-QLEMLULZSA-N 467.810 4.672 50 1 JJGF CC(C)(C)NC(=O)[C@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 169367625 VJSQZSFNIPMTTB-YZMDESFKSA-N 460.048 4.587 50 1 JJGF C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537854 LBWFKAAGIDRFGB-WQKDULPXSA-N 456.130 4.659 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 587684369 PIRDPFFGXRCRCD-GIGQVBGESA-N 467.132 4.604 50 1 JJGF C[C@H](Br)C(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874996 MDLYKQSYRHDOAE-ZDUSSCGKSA-N 453.163 4.670 50 1 JJGF COC(=O)[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]12C(C)(C)C(Br)=C[C@H]1O[C@]12C 2356456371 BDRYVLGCKMGCOO-ZCCKRMSOSA-N 470.629 4.793 50 1 JJGF COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587688984 OMSVJMQMVACFTC-XMHCIUCPSA-N 485.825 4.976 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587736391 VVBABSSHGUJHTK-SBKAZYGRSA-N 455.730 4.629 50 1 JJGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(I)c1OC 40767485 XSMSACGVKDZSKF-LJQANCHMSA-N 484.293 4.680 50 1 JJGF CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 95808900 TXFSJKJIEKIKCA-YZSQISJMSA-N 468.554 4.779 50 1 JJGF COc1ccnc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587321712 KLXACKFSEBKZCU-RBBKRZOGSA-N 458.283 4.584 50 1 JJGF CCOC(=O)/C(C#N)=C/Nc1ccc([C@]2(C)c3ccsc3CCN2Cc2cccn2C)cc1 962374419 PQMWIJHDSILURG-WFBCFIKKSA-N 460.603 4.791 50 1 JJGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(C(=O)CF)O1 2356343283 OGZHZYVCWDUIJV-JQWWUKKISA-N 489.386 4.860 50 1 JJGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]1(O)[C@]1(C)CC[C@H](Br)C1(C)C 2356791831 JAAMRJACPHHTIP-UHFNRVLPSA-N 474.661 4.794 50 1 JJGF CC(C)[C@@H]1CC=C[C@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 49766742 XQZDHNLVPFXQTQ-SDFFAQHVSA-N 464.282 4.911 50 1 JJGF N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53313743 XRDHRMXXYJORMD-LOSJGSFVSA-N 499.575 4.729 50 1 JJGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1ccccc1C(F)(F)F 103248316 ULSBLXRHVKIBTA-OKCVXOCRSA-N 489.929 4.569 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587682942 FCIIWQMNTAXRRC-ASNKJTAVSA-N 461.803 4.956 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687425 GSIDIJHSHUXCMA-DMZKTXOQSA-N 475.793 4.878 50 1 JJGF COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 95601354 NITCUWYXOWPRDV-MUUNZHRXSA-N 492.579 4.545 50 3 JJGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)[nH]c2c(OC)c1OC 35936441 XIPBDZHZINVYOH-HNNXBMFYSA-N 490.947 4.784 50 1 JJGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 587324858 ALKLODGTGBYIFS-URXFXBBRSA-N 466.900 4.550 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C 587681799 AVUTVQNCOVXHIR-VJBOLBCHSA-N 465.794 4.902 50 1 JJGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962894224 HWMBKWSIWWINQR-PMWMKWCKSA-N 451.925 4.775 50 1 JJGF O=C1CSc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 587617575 KJUQFXHUVGIKTA-REWPJTCUSA-N 453.903 4.532 50 1 JJGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587671472 SDURPOOXVFADTN-RMDKCXRXSA-N 471.164 4.878 50 1 JJGF Cc1cc(N(CCCl)CCCl)ccc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224431 CBMHRHJCSXHNLI-GOTSBHOMSA-N 458.389 4.516 50 1 JJGF COc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587717781 LQHWCUCIANFIBD-NIVTXAMTSA-N 477.143 4.614 50 1 JJGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356359521 MLPBHZYSEWWJBH-YPHZUOLQSA-N 477.740 4.663 50 1 JJGF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\CBr)[nH]c2c1 586974648 YBWVKWFGPRSZRO-DJWKRKHSSA-N 460.275 4.791 50 1 JJGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587672328 ZVTRMJRGYBRWSJ-OACQNMCBSA-N 485.191 4.913 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587673459 MWZBOMYHHBEAML-QQGDVQBRSA-N 477.212 4.836 50 1 JJGF COC[C@@H](C)Oc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751823 OSVOPJQADIRJMJ-GFCCVEGCSA-N 469.756 4.832 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=CC=C[C@H](C)[C@@H](C)CC)CC[C@H]2C(=O)O 2356798460 PHXQNFSQKWPZCY-DKENCVBDSA-N 456.579 4.854 50 1 JJGF COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCC[C@@H]2CCSS2)c(Cl)c1 35833583 SMIBYZRCIQDRNX-QGZVFWFLSA-N 460.061 4.997 50 1 JJGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccc(Cl)cc2Cl)cc1 96284133 ZWCNZOPCCPRNOQ-NRFANRHFSA-N 477.327 4.654 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587686494 VLPYCDUCSTULEM-GIPWTMENSA-N 452.755 4.582 50 1 JJGF COc1ccc([C@]2(CSC#N)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962637779 YFYWXEHLNYQYAV-BKMJKUGQSA-N 496.585 4.602 50 1 JJGF O=C(CCCC[C@@H]1CCSS1)NCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40880216 VRAHJBQLGGBZGL-JUZPYSENSA-N 465.088 4.757 50 1 JJGF COc1ccc2c(c1)c(CC(=O)NNCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 13809425 BVGIEGKOFBSINK-UHFFFAOYSA-N 461.949 4.664 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45319372 XBXSZFLIXNACOU-HSZRJFAPSA-N 459.546 4.653 50 1 JJGF C=C(C=O)C[C@@H]1C(=O)C=C2[C@H](OC(=O)C=CC=CC(C)=C[C@H](C)CC)CC[C@@H](C(=O)O)[C@]21C 2356618364 OSNZHRXZUAKEOD-OLXDQURMSA-N 454.563 4.774 50 1 JJGF CC(=O)N1CCc2sc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C1 587859464 WXZIFDRTFWHXKA-YBTHPKLGSA-N 471.823 4.571 50 1 JJGF CC(C=O)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@H](C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@@]4(C)C(=O)C[C@@]23C)O1 2356383482 NZGITYVJSRBFQS-USKAIFBWSA-N 484.677 4.795 50 1 JJGF CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(C[C@H](O)CN2CCCC2)c2ccccc12 95595144 DQHIJWOMMVYHCW-SGXRDAIWSA-N 464.654 4.790 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587673758 PSWYGQLRMNPSEK-XTZNXHDOSA-N 488.151 4.678 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587686550 VQFWPMVMGXTQJG-WSVYEEACSA-N 465.750 4.873 50 1 JJGF COCCCN1CCc2ccc(OC)cc2[C@]1([C@@H](Cl)C(=O)c1ccccc1)C(F)(F)F 961321573 JXNCUHUALFVELI-VXKWHMMOSA-N 455.904 4.838 50 1 JJGF CC1(C)O[C@@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)C2=C[C@@H]1Cl 2356805775 ZXDBLETYGYFMFF-DLQIGINHSA-N 497.415 4.743 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325718 GWTPLACAGSWNIS-JXALWOEJSA-N 461.917 4.877 50 1 JJGF CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3cn(CCCSSCCN(C)C)nn3)c2)C1 618010363 VHJHQUUTKFVMKN-LJQANCHMSA-N 476.716 4.932 50 1 JJGF CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 653727958 ZAPMFJKLJYDWCQ-GNVQSUKOSA-N 490.991 4.699 50 1 JJGF N#C/C=C/c1ccc(Nc2cc(NCCCN3CCOCC3)nc(Nc3ccc(C#N)cc3)n2)cc1 1857775296 SIAJTAVXVUUNHN-HNQUOIGGSA-N 480.576 4.506 50 1 JJGF COC(=O)[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]12C(C)(C)C(Br)=C[C@@H]1O[C@]12C 2356456370 BDRYVLGCKMGCOO-MMOKXXHRSA-N 470.629 4.793 50 1 JJGF CCCCN(CCCC)NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O 26251518 REXRFHCGKNRUGY-RPWUZVMVSA-N 450.712 4.640 50 1 JJGF Cc1ccc(NC(=O)CCC(=O)[C@H]2CC(=O)CC/C2=N\NC(=O)c2cc3ccccc3cc2O)cc1C 102979158 DWOPCJAXIGCQEV-UCAHEKCRSA-N 499.567 4.605 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587542186 FXTVLZFQSPCIAF-CYFREDJKSA-N 455.894 4.610 50 1 JJGF COc1cccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587724631 KNPMKPYGLDLNAA-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CCCCl)c1ccc(F)cc1 963137479 FIFJIHSDIRMZPH-IERDGZPVSA-N 454.951 4.791 50 1 JJGF Cc1cc([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1-c1cc(F)cc(F)c1 962926768 VFWWNWKCTDGFME-RUZDIDTESA-N 457.952 4.702 50 1 JJGF CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@@](C)(CCC=CC(C)(C)OO)[C@H]1C=COC(=O)C=C(C)C 2356370325 ZNBNYYUOWWKVCP-AOJNWGRGSA-N 462.583 4.723 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1[N+](=O)[O-] 587539707 XPKNXCOUEUJRAD-NQIIRXRSSA-N 456.248 4.552 50 1 JJGF COc1ccc(OC)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587672194 DXTYITLEJDHWPD-WYRIXSBYSA-N 473.180 4.778 50 1 JJGF CO[C@](C(=O)OCC=C(C)[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@@]2(C)OO1)(c1ccccc1)C(F)(F)F 2356511232 CNUUNKCYGCRKQX-LUZMIZLMSA-N 482.495 4.841 50 1 JJGF COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1Br 95809763 BZEQRGABKFUOMK-BUVRLJJBSA-N 476.371 4.593 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962713413 REEIFPPTDSXDAV-MWTRTKDXSA-N 451.007 4.793 50 1 JJGF O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 26167031 CEWRFQBBMGBXHH-KSIKNUOKSA-N 454.354 4.689 50 1 JJGF Cc1[nH]nc(N/N=C(\SC#N)C(=O)c2ccccc2)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O 84688596 NNNRDSJSIDJYIN-YABFVUFDSA-N 499.560 4.754 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCI)[C@@H]3CC[C@@H]12 169365920 ZENXUIUPBLAJTM-PLOVCHRTSA-N 497.461 4.800 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2=O)cc1 587539884 YKVLCDRODOAHLU-RCZVLFRGSA-N 494.341 4.771 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCl)cc1C(F)(F)F 587892168 AOTLDNBPAHIAIS-UHFFFAOYSA-N 477.697 4.900 50 1 JJGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc(C)c1O 962921383 BBTWAZVUVYDXBF-WIOPSUGQSA-N 453.922 4.588 50 1 JJGF C=C(OCCC[Si](OC)(OC)OC)[C@]1(C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963190174 DDAHNUNQEYLRIN-IZZNHLLZSA-N 466.654 4.823 50 1 JJGF C[C@](Cl)(CBr)[C@H](O)CCC(=CBr)[C@@H](Cl)CBr 2356645653 YSWYAMBFCRENQC-AEJSXWLSSA-N 461.847 4.801 50 1 JJGF O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53243040 QUPQBTIIGYHTHY-VXKWHMMOSA-N 476.945 4.801 50 1 JJGF COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587374463 YGCAZYVVKAWFEA-NOZRDPDXSA-N 450.922 4.693 50 1 JJGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)Br)c(C)c2c1 587616596 FLHNFFDOUWLIKV-NSHDSACASA-N 468.329 4.650 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 587671470 SDURPOOXVFADTN-BFKGZMGPSA-N 471.164 4.878 50 1 JJGF Cc1cc([S@@](=O)C(F)(F)[C@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500363 OTSINPJLWYNOBQ-DFYVNMARSA-N 468.831 4.778 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 142750846 NYJRVVZQFCMWJL-DIPNOVIPSA-N 464.530 4.956 50 1 JJGF CCN(CC)Cc1ccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 103192730 VZBFEFSMHFQJGM-VFMYFQSHSA-N 473.610 4.893 50 1 JJGF CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C\C#C[C@@H](OC(=O)COc3ccccc3)C(=CCC1)C2=O 195278975 DDVYJISDSDEARA-TVBFSTNBSA-N 462.618 4.604 50 1 JJGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056940 QIGTXFAJALOCFC-DHDCSXOGSA-N 486.384 4.989 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCO2 587538687 RGVZBAGWFCXQNX-OFNKIYASSA-N 453.288 4.579 50 1 JJGF O=C1CCc2cc([C@@]3(CBr)c4cccc(F)c4CCN3[C@H]3CCSC3)c(F)cc2N1 962723256 YWNUUEYIEGTVKC-NPMXOYFQSA-N 493.417 4.852 50 1 JJGF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1cccc2ccccc12)c1cccs1 13139120 IZPIXNBGKAOSQJ-WYDFGVIMSA-N 466.566 4.874 50 1 JJGF CC(C)(C)NC(=O)[C@@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C 169367627 VJSQZSFNIPMTTB-MCCGJVOXSA-N 460.048 4.587 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C(F)(F)C(F)(F)F 587549718 RJDJIGLTJCNMIS-DOMZBBRYSA-N 453.157 4.685 50 1 JJGF Cc1[nH]c2ccc(F)cc2c1[C@]1(CCl)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963148852 OYJCZJZGJBUKGO-OPAMFIHVSA-N 479.961 4.801 50 1 JJGF CC1=C(CCCCCCCCCCCCCCC2=C(C(=O)O)CC(=O)OC2=O)C(=O)OC1=O 2356824754 GYKFRMWNWAEOIH-UHFFFAOYSA-N 462.539 4.702 50 1 JJGF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4[C@@H](I)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714121 GATDMMIZAJMORD-PMMKXDQHSA-N 498.449 4.541 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769522 NTPKAHRSCKLGOP-LFPIHBKWSA-N 499.384 4.504 50 1 JJGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963190173 DDAHNUNQEYLRIN-FTJBHMTQSA-N 466.654 4.823 50 1 JJGF CCCc1c(O)ccc2c1O[C@H](C(Br)(Br)CBr)CC2=O 587451826 KYNFDKANVRAFBN-LBPRGKRZSA-N 470.983 4.560 50 1 JJGF CC(=O)NCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684088 KIJXSLTUMUGINE-FPTDNZKUSA-N 467.810 4.674 50 1 JJGF COC(=O)c1ccc(CBr)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587875048 NMLIFBDQLYQXMJ-UHFFFAOYSA-N 483.189 4.580 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 587672392 FSOCOJGBROGFBN-WYRIXSBYSA-N 471.164 4.532 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673521 NSSILEDHLFNQDC-GTJPDFRWSA-N 496.218 4.670 50 1 JJGF CN(C)c1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963172563 DCIFWHGRMHLIST-MJGOQNOKSA-N 491.735 4.662 50 1 JJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1ccc(NC(=O)c2ccccc2)cc1 963609735 OEIHKKRKHAYOKV-QLXKLKPCSA-N 450.966 4.973 50 1 JJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1 587187814 KZULDTOJXTUJFU-UQQQWYQISA-N 490.611 4.935 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 587322128 LLIGUXCPNKABCT-JTHBVZDNSA-N 471.278 4.909 50 1 JJGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 587324861 ALKLODGTGBYIFS-ZJSXRUAMSA-N 466.900 4.550 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O 587424049 WSFILARAWFURDB-RNODOKPDSA-N 491.231 4.936 50 1 JJGF COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587571182 ZOLOGLLQZUTUAL-AVRDEDQJSA-N 459.267 4.792 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587683574 HOQWUOUYKIKXMA-QRQYBIJMSA-N 453.783 4.802 50 1 JJGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccccc1OCC(F)F)N(C)[C@@H](C)C2 962619578 DOOVZEANWAFKMC-RCDICMHDSA-N 470.354 4.863 50 1 JJGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(CCCC(=O)O)C(=O)CCl 26980726 QETVJZPJOLUZKT-ZHIJWZGUSA-N 481.004 4.652 50 1 JJGF O=C(CCI)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 28714167 FPKWADQMZKTROC-UHFFFAOYSA-N 470.673 4.930 50 1 JJGF C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 85549484 DVNUPPNHQFGMGA-OSBNRRGQSA-N 491.767 4.843 50 1 JJGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N 254091669 BKTNMVOFLGEWND-WHNXVCAYSA-N 493.753 4.708 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 587674448 WQQWCTPYXULTCX-HXPMCKFVSA-N 456.197 4.827 50 1 JJGF CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C 238772642 YGBUJACBKXHYOB-SAZZAIHSSA-N 474.594 4.794 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)CC2=O 587460914 LCGNJKUZMOXWQU-HSZRJFAPSA-N 481.898 4.891 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685148 NWJQJOJMHWRVOU-QKVFXAPYSA-N 451.767 4.514 50 1 JJGF C[C@@]1(c2ccc(N3CCN(C(=O)CCl)CC3)cc2)NCCc2cc(-c3ccccc3)ccc21 962658290 CMCBYTWVYFCWPU-NDEPHWFRSA-N 460.021 4.650 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)CC2=O 587467812 SLBJQQKRMOQELL-HXUWFJFHSA-N 468.275 4.656 50 1 JJGF CC1(C)C=Cc2nc(CN(C3CCC3)S(=O)(=O)c3ccc(CBr)cc3)ccc2O1 1772653240 BQXRVKCDSPLOEC-UHFFFAOYSA-N 477.424 4.904 50 1 JJGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537279 CHVSEJUCGWAGTP-XZDHIHRUSA-N 483.314 4.796 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587849892 BOVAGXZHGSUXDE-ULMSCDGUSA-N 475.811 4.668 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)c2cccc(F)c2CCN1[C@H]1CCSC1 962721696 WCSCVQLGPJEHGL-WQFQCULDSA-N 469.047 4.735 50 1 JJGF CC(C)[C@@H]1C[C@H](OO)C=C2[C@@H]3[C@](C)(O)[C@H](O)C[C@H](Br)[C@]3(C)CC[C@]21CBr 2356455624 BDSVYFLMKBMVBZ-SVFBVEKHSA-N 496.280 4.524 50 1 JJGF S/C(=N\C1=N[C@@H]2C=CC=C[C@@H]2S1)SS/C(S)=N/C1=N[C@@H]2C=CC=C[C@@H]2S1 27192146 WFISZLOIRJZEMU-WYUUTHIRSA-N 454.718 4.871 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3cccc(F)c3)N(CCCl)CCCl)cc(O)c21 473085209 VUVJFBQJRSYZMO-JOCHJYFZSA-N 488.342 4.881 50 1 JJGF CCOC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323568 RWGGCBGRFJTBPK-XMSQKQJNSA-N 465.315 4.613 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 587711680 XUTHNAOEFMUJCL-KBUNVGBDSA-N 455.034 4.910 50 1 JJGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1cccc(F)c1S(C)(=O)=O 963221320 ACKHBCVVQWFWBN-YCRPNKLZSA-N 454.405 4.524 50 1 JJGF COc1ccc(Br)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587373671 MTSKCONIHCGWOO-SFHVURJKSA-N 455.146 4.604 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538082 NCQWHDVTWBOCIS-GACAWOKJSA-N 494.341 4.917 50 1 JJGF COCCCN1CCc2ccc(OC)cc2[C@]1([C@H](Cl)C(=O)c1ccccc1)C(F)(F)F 961321575 JXNCUHUALFVELI-YADHBBJMSA-N 455.904 4.838 50 1 JJGF COc1ccc2c(c1OC)[C@](CBr)(c1ccccc1OCC(F)F)N(C)[C@@H](C)C2 962618037 BHHCLDAYSVMIBQ-FPTDNZKUSA-N 470.354 4.863 50 1 JJGF C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325425 FMJRWFLTMWHHOH-NOZRDPDXSA-N 483.879 4.712 50 1 JJGF O=CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 587352234 KMTMAQPHYDPYRA-VPUSJEBWSA-N 458.441 4.800 50 1 JJGF Cc1c2c(nn1C)[C@](CCCCCCCl)(c1ccccc1C(F)(F)F)N[C@@H](C(=O)O)C2 962707493 IQCZFJCQWGRHMK-NQIIRXRSSA-N 457.924 4.779 50 1 JJGF C[C@@H]1[C@@H](OC(=O)Nc2cccc3ccccc23)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101843100 NZDCEYOTLRSRSG-VUVLSBSRSA-N 467.518 4.775 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587673460 MWZBOMYHHBEAML-RQUSPXKASA-N 477.212 4.836 50 1 JJGF COc1ccc(C)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538961 SNITWQHCPKJUQA-OFNKIYASSA-N 455.304 4.961 50 1 JJGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Br)c(Br)c1 1857590414 KMLQCQKVAPURLC-KPSZGOFPSA-N 466.944 4.988 50 1 JJGF CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323565 RWGGCBGRFJTBPK-GCJKJVERSA-N 465.315 4.613 50 1 JJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(Br)c1)[C@@H](C2)C3=O 587424880 WYFVLNYTCTZNQU-KPZWWZAWSA-N 456.105 4.635 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(c4ccccc4CCC[C@H]3Br)N12 962667475 OBKXRKZPSMDXEN-NQHRYMMQSA-N 465.391 4.677 50 1 JJGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(NCCc4nc5ccccn5c43)c3ccccc3C1=N2 962981051 DGCFUCMZQVKVHI-PMERELPUSA-N 486.579 4.874 50 1 JJGF N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53243124 NSNOHUZFFPPPQP-RPBOFIJWSA-N 454.578 4.821 50 1 JJGF O=CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 587352231 KMTMAQPHYDPYRA-AHKZPQOWSA-N 458.441 4.800 50 1 JJGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587374468 YGCAZYVVKAWFEA-ZCYQVOJMSA-N 450.922 4.693 50 1 JJGF COc1ccc(OC)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587672192 DXTYITLEJDHWPD-NSPYISDASA-N 473.180 4.778 50 1 JJGF C[C@@]1([C@@H](Cl)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccsc2CCN1C(N)=O 962705466 NSJPLNXSLZVQKD-YOEHRIQHSA-N 466.312 4.818 50 1 JJGF CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCOCC2)cc1 1857773075 BCLKSWOIAWPYPN-JJYYUJSISA-N 484.600 4.510 50 1 JJGF N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C(\S)Nc1ccccc1 49046674 AUZLXLWOCJMXHU-MOWJEGPISA-N 492.560 4.527 50 1 JJGF CC(=O)OCC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 299810229 NLSUODIKTXXGJU-BJKJEOEJSA-N 453.406 4.867 50 1 JJGF C[C@@H]1Oc2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O 587501807 YODYBDCQVDVVME-NPMABZOXSA-N 456.336 4.540 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541732 DIVRAYPWDCARRT-LVJZWUNYSA-N 469.921 4.998 50 1 JJGF Cc1cc(/C=C(\C#N)c2nc3nc(C#N)c(C#N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058441 YWTUKDBFMKLPCA-VGOFMYFVSA-N 459.300 4.875 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1C 962618806 CFVJHIZJVQIWLO-OZAJXLCCSA-N 495.041 4.568 50 1 JJGF CCCCCCCC[C@H](O)[C@H](Cl)CC=CC=C[C@H](O)CC(=O)NC1=C[C@](C)(CC)OC1=O 2356573269 HRCLCHPDQRHDBL-VTKNMLBTSA-N 470.050 4.684 50 1 JJGF Cc1ccc(NC(=O)CCC(=O)[C@@H]2CC(=O)CC/C2=N\NC(=O)c2cc3ccccc3cc2O)cc1C 18130105 DWOPCJAXIGCQEV-FIGBABDGSA-N 499.567 4.605 50 1 JJGF CC(C)Cn1c(SCc2nc3ccc(C(=O)NN)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 586964768 CXPQARUMYTWDEH-UHFFFAOYSA-N 490.420 4.680 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587686836 XRVCNPLOIXHFNW-FIKIJFGZSA-N 499.771 4.916 50 1 JJGF O=C(CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23)N(CCCl)CCCl 473083673 CVEGXKHTAQTOQO-BIATYSSJSA-N 480.524 4.838 50 1 JJGF CC(=O)Nc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587327691 QUYROKQXRSUTDE-UPVQGACJSA-N 455.869 4.689 50 1 JJGF CC(C)C[C@@H](CNC(=O)c1cccc2nc(CN3CCC[C@H](N)C3)cn12)c1ccc(CCl)cc1 2356705314 FLBMPJHUZLWSKH-GOTSBHOMSA-N 482.072 4.556 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)/C(C#N)=C\C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 255253649 OJCKRNPLOZHAOU-ISCLOFQOSA-N 489.653 4.636 50 1 JJGF S=C(SSC(=S)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 45256118 HXVZGRSOBDUIGO-UHFFFAOYSA-N 474.746 4.582 50 1 JJGF CCC#CNOOCCCCC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 101324403 YBMOYHSFDVQSSS-FQEVSTJZSA-N 480.561 4.753 50 1 JJGF O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325934 ICQXYKDKHADMMP-ISKFKSNPSA-N 474.315 4.794 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673409 MQKNGHROAUUXRS-JEOXALJRSA-N 473.180 4.778 50 1 JJGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCBr)(c2ccc3c(c2)CCC3)N1 962691875 DOAZOAQNQKHSGJ-TZIWHRDSSA-N 486.303 4.961 50 1 JJGF COc1ccc2c(c1)[C@](CBr)(c1cc(OC)c(OC)cc1Cl)N[C@H]1CC[C@H]21 962999655 ZBBAPMRIQHJMMF-YMTYPPQLSA-N 452.776 4.854 50 1 JJGF COC(=O)c1ccc(NC(=O)c2cc3c(cc2OC)[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC3)cc1 1857769990 SLSXPHSTICOLHB-NEKDWFFYSA-N 472.541 4.613 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587684946 NDSMIJYGIREGKB-FVINQWEUSA-N 457.771 4.726 50 1 JJGF O=C(O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC2CC(C3)C4(F)F)cc1 1857616260 KBPXUSBIUGCXHY-UHFFFAOYSA-N 450.478 4.880 50 1 JJGF C=C(C=O)[C@@H]1CC(=O)C=C2[C@H](OC(=O)C=CC=C[C@H](C)C[C@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C 2356560199 PDQFETFKTODSNI-RZPQJCAPSA-N 456.579 4.854 50 1 JJGF CC[C@@]1(CCCBr)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963154700 DMCYSSAXPMASDO-HSZRJFAPSA-N 461.400 4.765 50 1 JJGF CO[C@](C(=O)OCC=C(C)[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)OO1)(c1ccccc1)C(F)(F)F 2356511233 CNUUNKCYGCRKQX-PLWWPAAYSA-N 482.495 4.841 50 1 JJGF C/C(=N\NC(=O)Nc1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 96169114 IOSGPOXPNAWPKU-OKCVXOCRSA-N 453.481 4.553 50 1 JJGF COc1ccnc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587321703 KLXACKFSEBKZCU-IFMALSPDSA-N 458.283 4.584 50 1 JJGF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr 587673479 NDETZDHXMOGSEI-WLRWDXFRSA-N 473.180 4.994 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587685471 TUVZZYMKJDJZFY-IRKUAANASA-N 455.165 4.694 50 1 JJGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(Cl)cc3)ccc21 1857753878 XADFVDFOVPZOCS-MHZLTWQESA-N 495.982 4.670 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851718 IUWFFNHPWLNWOH-PYFOHURJSA-N 475.811 4.668 50 1 JJGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)n(C)c1 27084704 FGFXVRXZJCHWFF-SCOAYWHSSA-N 450.970 4.882 50 1 JJGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 254081206 XTEPBIUQFMKCPD-IKGGRYGDSA-N 474.722 4.788 50 1 JJGF COc1ccc(C(=O)Cc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 73162893 XQXMKPYPEQIYDA-STBIYBPSSA-N 497.507 4.711 50 1 JJGF CCOC(=O)[C@H](C)Oc1cccc(O[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 169303068 CKPXDMSGORRMPP-GJMDDMSRSA-N 476.566 4.604 50 1 JJGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl 257501475 OFHJKWNSOIQOPB-DGIJCIGJSA-N 462.970 4.875 50 1 JJGF endogenous,in-man C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)Br)N1 587669808 FVXDFOGPCRFEAW-RMLUDKJBSA-N 458.007 4.886 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@@H]2COc3ccccc3O2)N1 587672182 DQLFGAHCQWZDKO-XNPNBVRTSA-N 471.164 4.553 50 1 JJGF N#CSC[C@]1(c2cccc3ccccc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962666164 MMHRYYJVTGZGRZ-RRPNLBNLSA-N 453.567 4.944 50 1 JJGF COc1ccc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1Cl 962704142 UMWICCMUMKVPHB-CRAIPNDOSA-N 452.231 4.588 50 1 JJGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84652861 KTXIAYWJOMTQIX-CVDCTZTESA-N 487.302 4.710 50 1 JJGF O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)OCc1ccccc1 195208839 LJLGPXQVGIKREW-VWLOTQADSA-N 474.366 4.620 50 1 JJGF COc1cc2c3c(c1)O[C@@](c1ccccc1Br)([C@H](C)Br)[C@@H](C2)C3=O 587415151 QEFMSSZPGOVPDQ-RBXYMLTMSA-N 452.142 4.884 50 1 JJGF CC(C)(C)[C@]1(/C(C#N)=C/c2ccccc2[N+](=O)[O-])N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237185 WVEQOGMEHBDHDK-HRLGJULJSA-N 456.502 4.590 50 1 JJGF CN(C)c1ccc(/C=C2\CN(C(=O)C(Cl)Cl)C/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 1911582581 IORZIQHPVYPAOZ-IWGRKNQJSA-N 472.416 4.501 50 1 JJGF C=C(/C=C/C=C(/CO)[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 38993374 XVFORSWJIMCHND-YLCDAWDUSA-N 486.693 4.970 50 1 JJGF biogenic,in-vitro CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4[C@@H](Br)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714156 NIWUBSPKINAVMT-YZSOODDLSA-N 451.449 4.501 50 1 JJGF COc1c(F)cccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587718089 HVFBFIVJXMOMTF-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF CCc1ccc2c(c1)[C@]1(C(C#N)=CO2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963411498 AYGSMRXGTPOBFM-SETSBSEESA-N 489.531 4.925 50 1 JJGF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCCl)cc2)n1 1857638654 HQFBNGSFGYWJQQ-UHFFFAOYSA-N 469.756 4.834 50 1 JJGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O[Si](C)(C)C(C)(C)C 1857750989 QEKAKJCLAFAJTF-KWRCNFKHSA-N 464.719 4.992 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687426 GSIDIJHSHUXCMA-MCMMXHMISA-N 475.793 4.878 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725911 SUPFHNHGTDJLBK-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF CCOc1cc(/C=N\NC(=O)CSc2nnc(C)s2)ccc1OCc1ccccc1Cl 33362655 DNHORHASBCVNLW-KSEXSDGBSA-N 477.011 4.720 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587853605 AJXWOOXIEVYCQV-APBUJDDRSA-N 455.780 4.649 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Br)CC2=O 587455709 FGPOPMHXTMPLPI-SYKNXGGPSA-N 455.352 4.937 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587673458 MWZBOMYHHBEAML-GESALYCCSA-N 477.212 4.836 50 1 JJGF CCOC(=O)c1[nH]c2ccccc2c1CN(NC(=O)c1ccncc1)C(=O)Nc1ccc(Cl)cc1 653762971 PGIFDRASZOSEBQ-UHFFFAOYSA-N 491.935 4.772 50 1 JJGF O=CC1=C(Cl)[C@H]([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)CCC1 963449168 QKVKULHWGLENFS-UTSGNWPNSA-N 462.933 4.853 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=C[C@H](C)CC(C)C)CC[C@H]2C(=O)O 2356496311 UJIAILHDYMWIBK-FFAOFWBOSA-N 456.579 4.854 50 1 JJGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H](Br)CC[C@@H](Br)C(=O)Cl 587279989 XLGFDXNMVZUSGQ-WDEREUQCSA-N 467.497 4.596 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587422100 PFJAZFMTEMLNJE-KHOMTPLRSA-N 457.954 4.556 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587559623 YASAADMHCBNCTP-UGKGYDQZSA-N 459.267 4.792 50 1 JJGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1[C@]1(C)c3ccsc3CCN1Cc1ccco1)OCO2 962709811 OTNVCHQKMRJJCS-FATZIPQQSA-N 458.967 4.957 50 1 JJGF CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COc1ccc(B(O)O)cc1 1911581145 IRBSKVZCGYDAHP-JRUKXMRZSA-N 476.463 4.687 50 1 JJGF O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 8694176 TXWSHTCTJSYBBS-UHFFFAOYSA-N 497.020 4.523 50 3 JJGF C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O 261171238 SZGQTKQSDGZCFY-TXUSRDCUSA-N 453.804 4.720 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2=O)cc1 587539882 YKVLCDRODOAHLU-DHLKQENFSA-N 494.341 4.771 50 1 JJGF C[C@H](Cl)C(=O)Nc1cc2c(cc1[C@]1(C)c3ccsc3CCN1Cc1ccco1)OCO2 962710755 OTNVCHQKMRJJCS-PSLXWICFSA-N 458.967 4.957 50 1 JJGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(I)cc1 59034370 BPYFJUFKZWKJBM-PFONDFGASA-N 458.177 4.741 50 1 JJGF CCOC(=O)[C@H](C)Oc1cccc(O[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 169303066 CKPXDMSGORRMPP-XQRCVKRISA-N 476.566 4.604 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587542576 HMQJKIJZUQDBMJ-LTJBIVKBSA-N 455.894 4.608 50 1 JJGF Cc1ccc2c3c1N(CC31CC1)[C@@]2(CBr)CCCN1C(=O)c2ccccc2C1=O 963728725 ILCBJFCVRXXTGI-XMMPIXPASA-N 451.364 4.527 50 1 JJGF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972770 BELURPQFCQFQGB-CQSZACIVSA-N 450.402 4.688 50 1 JJGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)CC2=O 587465875 HRZMRUOHRPYROQ-GHTZIAJQSA-N 451.288 4.583 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)CC2=O 587467811 SLBJQQKRMOQELL-FQEVSTJZSA-N 468.275 4.656 50 1 JJGF CC[C@H](Br)[C@]1(c2ccccc2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963152103 UCEHNILYDOUWNQ-CKJXQJPGSA-N 481.412 4.807 50 1 JJGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 100027710 RUKDFXROVXEJGM-SQYHMDOVSA-N 491.491 4.716 50 1 JJGF CC(=O)O[C@@H]1S[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1N=[N+]=[N-] 194984798 SNHPAOKLHCNOLN-BVYCBKJFSA-N 455.656 4.637 50 1 JJGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322149 GHBSTOJXHLLXJP-LYGVVHPNSA-N 467.880 4.744 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 587673435 MVXHPAJUZSVDKP-BIBXISHDSA-N 481.159 4.867 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587673600 OQANYRBPILSDCH-QKKBWIMNSA-N 498.234 4.598 50 1 JJGF C[C@@]12CCSSC[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H](CCCCO)[C@]42CC3=O 2356529024 QGUBUYXZODWBNX-UHYIISDYSA-N 465.729 4.648 50 1 JJGF CC[C@@H]1OC(C)(C)O[C@H]([C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@]1(C)O 2356695773 WLESBISKGZXAHE-WVZMWUMTSA-N 470.726 4.880 50 1 JJGF Cn1c([N+](=O)[O-])cnc1[C@H](Br)[C@@H](Br)c1ccc(Br)cc1 44307414 BPPBPSKUILPGCY-WDEREUQCSA-N 467.943 4.663 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 587372062 JIXZHYNGDGICBF-RXBISOJRSA-N 460.917 4.596 50 1 JJGF COc1ccc(F)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587728488 FCHIOVPRSJYCEF-MGNBDDOMSA-N 461.144 4.909 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1ccc(Br)cc1F 963054387 IKCMBYJEMUTKLC-HXUWFJFHSA-N 480.175 4.929 50 1 JJGF CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)Br)[C@@H]1c1ccccc1 169341316 VQOLLBMSCRRQPS-AOWNQLHBSA-N 460.368 4.652 50 1 JJGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538445 FAWPXGUUEZJDTI-HWQVMBPGSA-N 491.341 4.981 50 1 JJGF CCCCCCCC[C@@H]1CC2=C(C[C@@H](CCCC=CCO)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356323678 DNJJFLDGXGVLGN-RTBURBONSA-N 490.593 4.718 50 1 JJGF COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2ccc(Br)o2)cc1 15987869 OLVOAEVHANZTPJ-CFRMEGHHSA-N 465.307 4.667 50 1 JJGF CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537634 JIQUMKATSOZLDA-HYBUGGRVSA-N 483.314 4.821 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587538146 OEXWRSHFABJAGI-NFBKMPQASA-N 471.303 4.661 50 1 JJGF O=C1Nc2ccc(C(=O)CCl)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 3921373 FMYPBTOEYTUDMI-JYOAFUTRSA-N 471.532 4.831 50 1 JJGF CC(C)(Br)[C@H](Br)CC[C@]1([C@H](Br)CBr)CO1 5941541 GGAPYRSAAHUZID-NQMVMOMDSA-N 471.853 4.631 50 1 JJGF O=C(O)c1nn(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1I 587185984 QYDVTWXLFBBCMK-UHFFFAOYSA-N 494.183 4.768 50 1 JJGF CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCN=C=S)cc3)nc2n1C1CCCC1 1857580239 AMIBFBJPDQXTQV-UHFFFAOYSA-N 491.621 4.813 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](NCc3ccc(OC(F)(F)F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857752292 DTMVQUYLGYAQDU-ZMJFZODZSA-N 457.489 4.883 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587324423 YUGLWFBCSICLFN-VWNXMTODSA-N 485.305 4.952 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCCO2 587537304 CSJFUNWESSKOFK-QPPBQGQZSA-N 483.314 4.806 50 1 JJGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687331 FZIPBMTZILMCLC-SOHPYSCWSA-N 467.810 4.672 50 1 JJGF N#C[C@@H](c1ccccc1)[C@]1(CBr)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926247 LXVHEXURWNPTAK-SONWIMMPSA-N 493.357 4.681 50 1 JJGF O=C(NNCCCN1CCC(=C2c3ccccc3Sc3ccccc32)CC1)c1ccncc1 1857757257 BFPNKODATSSQSK-UHFFFAOYSA-N 456.615 4.769 50 1 JJGF O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1cccc([N+](=O)[O-])c1 299860644 GXNAMQCHEBEFKL-UHFFFAOYSA-N 471.556 4.894 50 1 JJGF COc1ccc(C[C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963183067 IMLUMHYDQYTKNB-KXBFYZLASA-N 492.719 4.799 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587685307 PNGYKCGOADXQDE-MQJDWESPSA-N 451.767 4.835 50 1 JJGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1 40422706 LVLHTGJPIBVDTM-ZVBGSRNCSA-N 464.113 4.540 50 1 JJGF in-vivo O=C1C(=O)N(Cc2ccc(CBr)cc2)c2c(Br)cc(Br)cc21 72125088 PHSCBUUOHGKUOG-UHFFFAOYSA-N 487.973 4.836 50 1 JJGF N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587509285 RBKPZSUYGSJWLV-MQTKRXFDSA-N 480.967 4.914 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c[nH]c2ncccc12 587537742 JVWXDRIOTNAJCE-PGRDOPGGSA-N 451.276 4.521 50 1 JJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587538056 MTLNDSJLOKFWGF-DENIHFKCSA-N 486.274 4.561 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 587679957 GFCKWKBVHKSPPS-GIGQVBGESA-N 467.132 4.604 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849888 BOVAGXZHGSUXDE-AXXDXXKNSA-N 475.811 4.668 50 1 JJGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccc(Cl)c(Cl)c2)cc1 96284135 IRIZCFXDLFRKAO-NRFANRHFSA-N 477.327 4.654 50 1 JJGF O=C(N/N=C/C1=C(Cl)c2ccccc2CCC1)c1cccc(I)c1 299822245 HYIDTNQMMLAJLR-WSDLNYQXSA-N 450.707 4.993 50 1 JJGF COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544961 PSWJXJAITCGAKS-URXFXBBRSA-N 452.846 4.949 50 1 JJGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587672329 ZVTRMJRGYBRWSJ-OPURJYLOSA-N 485.191 4.913 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672670 HAJHNSRFNGPCRP-QGHHPUGFSA-N 458.125 4.669 50 1 JJGF CN1C(=O)C[C@@H]2CN[C@](c3cc(F)ccc3F)([C@H](Br)CCCl)c3cccc1c32 963030142 PVDJWNFWBUYOFX-HXGDPMPDSA-N 469.757 4.654 50 1 JJGF COc1cc2c3c(c1)O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)[C@@H](C2)C3=O 587428752 OZAZBGSCPPOHPB-YMHSNIKUSA-N 466.940 4.980 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587545381 RCJOGKWWMYAWNB-SQJMNOBHSA-N 463.873 4.756 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674154 TYDVQQVVHDFBCY-GIPWTMENSA-N 482.191 4.646 50 1 JJGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@]1(O)[C@]1(C)CC[C@@H](Br)C1(C)C 2356791828 JAAMRJACPHHTIP-FTHFUPPISA-N 474.661 4.794 50 1 JJGF N#C/C(C(=O)Nc1ccc(I)cc1)=C(/O)c1ccc(C(F)(F)F)cc1 34493729 XLNMWPWVCIZDEX-PFONDFGASA-N 458.177 4.741 50 1 JJGF O=C1C[C@@](CBr)(c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587497078 BVFVLEKKTCQKHO-XMMPIXPASA-N 456.380 4.658 50 1 JJGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 962639598 VIJYARSFGNHERC-FPOVZHCZSA-N 484.312 4.701 50 1 JJGF C[S@@](=O)(=NC=C(C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1857622397 FZYINULLECZLGY-HKBQPEDESA-N 454.489 4.591 50 1 JJGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325190 CNOMHXYKCCFUOC-UKILVPOCSA-N 453.897 4.661 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 587672657 GWBYNBBEYQTXTG-BTDLBPIBSA-N 458.125 4.669 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N(C)C)cc2)N1 587674446 WQQWCTPYXULTCX-BUXKBTBVSA-N 456.197 4.827 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)c2cccc(F)c2CCN1[C@@H]1CCSC1 962721695 WCSCVQLGPJEHGL-QOEFQVSFSA-N 469.047 4.735 50 1 JJGF COc1c(F)cccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555239 FZSBQYSSVAFABL-XMSQKQJNSA-N 459.267 4.792 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 587674415 WLUDDDSTMMTABE-XCLFUZPHSA-N 479.191 4.947 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 587686177 SLJNAWLGEDKYTO-OVWNDWIMSA-N 464.132 4.928 50 1 JJGF Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCBr 40762393 XVKVSMDTJFJUTB-XQNSMLJCSA-N 463.129 4.886 50 1 JJGF [C-]#[N+][C@H](F)Oc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 261098827 FXMUBNGKWUSIMV-IBGZPJMESA-N 458.471 4.849 50 1 JJGF 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(OC)cc1 138996009 YDLQDYFGDUDEQF-NDZAASODSA-N 490.593 4.914 50 1 JJGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587687085 YSIGYIUQANGICK-WSVYEEACSA-N 465.750 4.873 50 1 JJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](OC(C)=O)C[C@@H](Br)[C@@H](CC)O1 2356306681 POXMPQJRUHCCSF-YTLBIWTGSA-N 470.629 4.590 50 1 JJGF O=CC1=C(Sc2ccc(C(=O)O)cc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45255965 ZKUYJJQEABMILL-UHFFFAOYSA-N 452.557 4.531 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)CC2=O 587466261 KAFSSKZPGCAZQV-LJHMRTFOSA-N 484.955 4.694 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(F)(F)C(F)(F)F)N1 587711059 VOCOXMJQQTYUFW-KSBSHMNSSA-N 455.034 4.910 50 1 JJGF COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587679767 GTEWUUQSXPXHEO-LARMWNDWSA-N 455.165 4.694 50 1 JJGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)NCCc2ccc(C(=O)N(C)C)cc21 962922746 HBNOOJADDZTALA-RNODOKPDSA-N 455.318 4.580 50 1 JJGF N#C[C@H](c1ccccc1)[C@@]1(CBr)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926228 LXVHEXURWNPTAK-CUYJMHBOSA-N 493.357 4.681 50 1 JJGF O=C(NNCC(F)(F)F)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772653221 NYZWXVKBJRHQTC-PKNBQFBNSA-N 452.440 4.669 50 1 JJGF O=C1CC(c2ccccc2)CC(=O)N1c1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27630217 YEOXUKQWPUQCKT-UHFFFAOYSA-N 490.737 4.657 50 1 JJGF COc1ccc(F)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572025 QIKSRHIGCSKMPS-DENIHFKCSA-N 459.267 4.792 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 587674153 TYDVQQVVHDFBCY-BIBXISHDSA-N 482.191 4.646 50 1 JJGF COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587689983 YIEDELHVTBIZFT-GTJPDFRWSA-N 471.798 4.586 50 1 JJGF Nc1cc(Br)ccc1[C@@]1(CCCl)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691756 CVWIQPDMNRWQMU-SJLPKXTDSA-N 495.698 4.661 50 1 JJGF COc1cccc2cc3c(nc12)[C@](CBr)(c1ccc(OC(F)(F)F)cc1)NCC3 963058200 QKSDMZHYMSKUKA-FQEVSTJZSA-N 467.285 4.926 50 1 JJGF Cc1nn(-c2ccccc2)c2nc(-c3ccc(C#N)cc3)cc(C(=O)N/N=C\c3ccc(O)cc3)c12 28641662 SNGQIYGZVJTUNJ-LQNQUEJISA-N 472.508 4.737 50 1 JJGF COc1ccc([C@@H](CCC(=O)O)O[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 299804439 ARXRTBLAHCPUGY-APVPOVLKSA-N 476.566 4.826 50 1 JJGF CCC(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587541471 BWPHNOVYMGSOHE-BVAGGSTKSA-N 463.917 4.787 50 1 JJGF Cc1cccc(NC(=O)CO/N=C2\CC[C@@H]3[C@]2(C)CC[C@@H]2[C@]34C=C[C@]3(C[C@@H](O)CC[C@]23C)OO4)c1 1772616007 LSJUAXMNNZLPEZ-OIVDQYCJSA-N 480.605 4.693 50 1 JJGF C=C(c1ccc(Br)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 84652859 KTXIAYWJOMTQIX-XXBNENTESA-N 487.302 4.710 50 1 JJGF COc1cc2c(cc1OC)[C@@](CCCCl)(c1ccc(C3OCCO3)s1)N(C)[C@H](C)C2 962576146 WOGCQKVXTLZJNK-CMJOXMDJSA-N 452.016 4.950 50 1 JJGF CCn1ccc2c3c(ccc21)[C@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=C(N)O3 38658358 LKYNOWDQWJLYCD-IBGZPJMESA-N 454.324 4.659 50 1 JJGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Br)C(C)(C)F)[nH]c3c2)cc1 587087638 SFGSCMCZNQJHQI-INIZCTEOSA-N 456.337 4.556 50 1 JJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 49766603 HGVVCSZODUSUMM-UHFFFAOYSA-N 453.445 4.779 50 1 JJGF C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C/C=C/C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O 169362907 OJCKRNPLOZHAOU-VSDCOWJSSA-N 489.653 4.636 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587671471 SDURPOOXVFADTN-FDMGOTLNSA-N 471.164 4.878 50 1 JJGF CC[C@@H](NC(=O)CCl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885103 VWSLUFZZBAEDKZ-HXUWFJFHSA-N 451.781 4.510 50 1 JJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CBr)c(I)c1 587917576 MPLUSXWWGAPDJW-UHFFFAOYSA-N 489.534 4.931 50 1 JJGF COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 102327830 AGQRYQKGYUJRPN-RUZDIDTESA-N 486.597 4.622 50 1 JJGF COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103189517 CKZVOETWWSISOY-XMMPIXPASA-N 469.497 4.859 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587673009 JKVKZUPWUPXFBT-YEJXKQKISA-N 496.218 4.888 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 587670296 JQSRSACRFDNQBT-RDBACFOTSA-N 471.164 4.604 50 1 JJGF C[C@H](Cl)C(=O)Nc1cc2c(cc1[C@@]1(C)c3ccsc3CCN1Cc1ccco1)OCO2 962709812 OTNVCHQKMRJJCS-LFVRLGFBSA-N 458.967 4.957 50 1 JJGF COC1=C(C#N)CCN(C(=O)Cc2cncn2Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)C1 13489047 NAUDEXJEXLGXTN-UHFFFAOYSA-N 487.563 4.822 50 1 JJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3cccc(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299819522 DFCFMQCTNPNDEL-PWCVUTLPSA-N 456.352 4.963 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672983 JJNNRAVUWZOSQZ-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(OCCCBr)cc3)N12 962675371 WQSHZTNAEKCULC-XUZZJYLKSA-N 469.379 4.587 50 1 JJGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)C1(c2ccccc2)CC1 963155561 YTHNQKMQNORSNP-AOMKIAJQSA-N 493.423 4.712 50 1 JJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1cccs1 17526820 BROZTCCDDMWNLY-PJCCXHTNSA-N 458.590 4.842 50 1 JJGF C[C@@H]1CC[C@H]2[C@]3(CC(c4c(Cl)cccc4Cl)=NO3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 473146877 DPVMCELIRASFGN-CLCVGRMQSA-N 468.333 4.629 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587737164 YLKWHVQMHKQIQA-CFMSYZGJSA-N 455.730 4.629 50 1 JJGF N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53312665 CEPPEANFTHBOIN-MRTLEVNRSA-N 484.560 4.708 50 1 JJGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(-c2ccco2)cc1 95590558 PUKDSXLAOUNMEU-ZVBGSRNCSA-N 480.112 4.647 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611376 IFNMIFDKWHGYAY-NNCRSITRSA-N 487.961 4.832 50 1 JJGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H](O)C[C@@H]2C[C@@H](C=C=CBr)C[C@H]2O1 2356450029 GHNBYHYHPRVNAS-MQZSILAASA-N 487.070 4.922 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)/C(C#N)=C/C=C/C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 255253650 OJCKRNPLOZHAOU-RHCSRMMGSA-N 489.653 4.636 50 1 JJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587672980 JJNNRAVUWZOSQZ-JEOXALJRSA-N 473.180 4.778 50 1 JJGF O=C(CC12CC3CC(CC(C3)C1)C2)NN=C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 1857592473 PMTCLZLJROJCEE-FADFPCINSA-N 469.585 4.661 50 1 JJGF CCN(CC)CCn1cccc1/C=N/NC(=O)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857767979 ZZOPGJXURQGYNC-MTDXEUNCSA-N 459.554 4.606 50 1 JJGF O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN/C=C1\C=Nc2ccccc21 13123252 FSBWIQGCIDLEEM-GXDHUFHOSA-N 474.036 4.954 50 3 JJGF COc1ccc(N/C=N/C2=C(C#N)[C@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 53313216 JDUQRIATYJXOKC-FTJBHMTQSA-N 484.604 4.830 50 1 JJGF COC(=O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587322080 LJPWTOFILSTLIS-ZJSXRUAMSA-N 485.305 4.967 50 1 JJGF COc1cccc(OC)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538520 PIYLISSKZZRNRT-REWPJTCUSA-N 471.303 4.661 50 1 JJGF CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685474 QWRMWZQHADVJBP-ASSNKEHSSA-N 453.783 4.583 50 1 JJGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(F)cc(CBr)c2)N1 962700258 QHQGXBXPWPWRPP-HOTGVXAUSA-N 450.201 4.567 50 1 JJGF CCn1c(SCC(=O)NN/C=C2\C=Nc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 13119341 ZRMKUJFNGVCOHT-OBGWFSINSA-N 460.607 4.732 50 3 JJGF COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)ccc1OCc1ccncc1 115598649 BKBKLXMRCOEBJJ-MUFRIFMGSA-N 456.546 4.781 50 1 JJGF CC(C)(Cl)[C@H](Br)C[C@H](Br)[C@@](C)(Cl)[C@H](O)CBr 238736827 XFGLYIOWLVXLGD-IBCQBUCCSA-N 463.863 4.674 50 1 JJGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 587547209 ZJSYRSUQHKEVAQ-XUZZJYLKSA-N 450.878 4.884 50 1 JJGF COc1cc(Br)cc2c1OC(N)=C(C#N)[C@H]2CC(=O)c1ccc(Br)cc1 1857653919 CRDYCMHFCIEIIN-ZDUSSCGKSA-N 478.140 4.663 50 1 JJGF Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587671924 BKTXEOKNBVGZRJ-VOJFVSQTSA-N 472.152 4.978 50 1 JJGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(NCCc3nc4ccccn4c31)c1ccccc1C2=O 962988461 OJZNJBVIKJMJCB-PTFIGZPYSA-N 491.378 4.536 50 1 JJGF O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)cc2N1 587568948 GMKGMAQYNZNVDG-ZJSXRUAMSA-N 453.853 4.512 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587673454 MWLCTDPNOFZNLV-NSPYISDASA-N 471.164 4.548 50 1 JJGF O=C(O)C[C@H](Br)[C@]1(c2cccs2)c2cccc(F)c2CCN1[C@H]1CCSC1 962718056 XMVQQZCHSLGLIN-ROOHIHILSA-N 470.429 4.733 50 1 JJGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Br)[C@@H]1c1ccccc1 100102398 VQOLLBMSCRRQPS-CSOSIKBCSA-N 460.368 4.652 50 1 JJGF COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544965 PSWJXJAITCGAKS-ZJSXRUAMSA-N 452.846 4.949 50 1 JJGF O=C(NN=C[C@@H]1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccc(F)cc1 1857586201 XLZIOIIPBXTKSY-SFHVURJKSA-N 469.394 4.531 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 587673248 LRUXIUNHMHUQKS-XUSGNXJCSA-N 496.218 4.670 50 1 JJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](C1CCCC1)[C@]42CC3=O 2356371891 SDVAQICNXIRWFG-XUSRNCCJSA-N 491.767 4.894 50 1 JJGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43482072 RUOUFMQEGYSASU-VVCJCJSVSA-N 452.503 4.761 50 1 JJGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccccc4Cl)cc3)o2)c(OC)c1 473247207 BIIVKPKLODNXNJ-VULFUBBASA-N 462.893 4.838 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587680743 IWZUSFMEFMMPFZ-CYXMAGCYSA-N 492.227 4.722 50 1 JJGF Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc([S@@](=O)C(F)(F)[C@@H](F)Cl)c1C 31500338 FAZPLAWGIZEIEN-JTBPQFFMSA-N 468.831 4.778 50 1 JJGF COc1ccc([C@@]2(CSC#N)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962637784 YFYWXEHLNYQYAV-NVQXNPDNSA-N 496.585 4.602 50 1 JJGF O=P(OCCOP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3181305 IIMCQGGXFYDRJS-UHFFFAOYSA-N 462.422 4.878 50 1 JJGF biogenic CC[C@H](Br)[C@H]1C[C@H](Br)[C@H](O)C[C@H]2C[C@H](C=C=CBr)C[C@H]2O1 238753141 GHNBYHYHPRVNAS-JYMCWTCBSA-N 487.070 4.922 50 1 JJGF O=C1C[C@H](C(Br)(Br)CBr)Oc2c1ccc1c2CCCC1 587499779 OVYYEZJIFHVKKJ-CYBMUJFWSA-N 466.995 4.780 50 1 JJGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569711 IXTZAHRZSPPWPG-GREBRCKQSA-N 487.277 4.627 50 1 JJGF COc1ccc([C@H](O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C 194969343 LWMRWPBWSYSVCW-VXKWHMMOSA-N 464.631 4.872 50 1 JJGF CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C 587684758 MCHZELLFHSDUST-SASJJMKUSA-N 465.794 4.902 50 1 JJGF COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587689988 YIEDELHVTBIZFT-XUSGNXJCSA-N 471.798 4.586 50 1 JJGF O=CC1=C(Cl)[C@@H]([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)CCC1 963449167 QKVKULHWGLENFS-NSXLHWASSA-N 462.933 4.853 50 1 JJGF COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)cc1 102415027 ABYJHOJMYFKUPD-ASDGIDEWSA-N 470.573 4.687 50 1 JJGF N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370515 XQXNSIHQSHYMGX-GGAORHGYSA-N 450.447 4.908 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Br)ccc1F)[C@@H](C2)C3=O 587424790 VDHHEFWADHXJAU-UGSOOPFHSA-N 456.105 4.635 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(N2CCCCC2)s1 587609758 DEIUGZIVHJDHAC-WMZHIEFXSA-N 456.951 4.935 50 1 JJGF O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614131 REWHAGLWMBUZEH-XERREHJYSA-N 475.316 4.549 50 1 JJGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)cc2c1 45317020 HXTOCPLOGIPMSZ-SFHVURJKSA-N 487.991 4.698 50 1 JJGF CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C 95590930 YGBUJACBKXHYOB-ZPNHJFRXSA-N 474.594 4.794 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](Cc3ccccc3)N(CCCl)CCCl)cc(O)c21 473082423 HOJLBAYWKRGVLC-FQEVSTJZSA-N 484.379 4.937 50 1 JJGF CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](c2ccco2)C(C#N)=C(N)O1 587743422 DPCOCZUEYGXSKL-LUBWPTFZSA-N 458.331 4.712 50 1 JJGF O=C(N/N=C/c1cccn1CCCN1CCCC1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857772569 BCNDVNDFCSQINW-UXHLAJHPSA-N 489.555 4.889 50 1 JJGF O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53243042 QUPQBTIIGYHTHY-FGZHOGPDSA-N 476.945 4.801 50 1 JJGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 587324859 ALKLODGTGBYIFS-XUZZJYLKSA-N 466.900 4.550 50 1 JJGF O=C(Nc1ccccc1)[C@@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959071 PONWHJHLQHKXQK-NRFANRHFSA-N 483.328 4.586 50 1 JJGF Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)s1 103238658 UPQHAVOMXGVNPB-LYBHJNIJSA-N 474.036 4.743 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587851719 IUWFFNHPWLNWOH-RSXSOOJNSA-N 475.811 4.668 50 1 JJGF O=C(CBr)c1ccc(Oc2ccc(C(=O)C[n+]3cccc(Br)c3)cc2)cc1 36382684 UYGHUMJZPFVSEP-UHFFFAOYSA-N 490.171 4.989 50 1 JJGF CC1=NC(SCC(N)=O)=C(C#N)[C@H](c2ccc(Cl)cc2)/C1=C(\O)OCc1ccccc1 100086775 PELNTQLNHLERKP-ZEZKVYLTSA-N 453.951 4.838 50 1 JJGF O=C(Cl)[C@H](Br)CC[C@@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279980 XLGFDXNMVZUSGQ-GHMZBOCLSA-N 467.497 4.596 50 1 JJGF COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587673455 MWLCTDPNOFZNLV-WLRWDXFRSA-N 471.164 4.548 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587685768 RPWZSCVIJBLSIX-SBKAZYGRSA-N 457.771 4.726 50 1 JJGF CC[C@@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CC)NC(=O)c1ccccc1 36176406 CEAQLKDYOYEPQY-FGZHOGPDSA-N 480.605 4.526 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(C(=O)CCl)c1Br 587896563 ONRXPVGQGCNETN-UHFFFAOYSA-N 479.610 4.949 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(C3CCC(F)(F)CC3)N12 962645958 SHQXJTBITJFHAO-FGZHOGPDSA-N 467.354 4.749 50 1 JJGF N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53313746 XRDHRMXXYJORMD-DQEYMECFSA-N 499.575 4.729 50 1 JJGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 59790750 FBRAWBYQGRLCEK-XXDFPUCBSA-N 478.988 4.701 50 1 JJGF CC[C@H]1CCCN(C(=O)Nc2cccc(-c3cn(CCCSSCCN(C)C)nn3)c2)C1 618010362 VHJHQUUTKFVMKN-IBGZPJMESA-N 476.716 4.932 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3ccc(O)c(Cl)c3Cl)N12 962668402 ODKHCGIDMPZHRX-YADHBBJMSA-N 465.764 4.828 50 1 JJGF 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(OC)cc1 169367319 YDLQDYFGDUDEQF-LBWRTHMMSA-N 490.593 4.914 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 195195981 NYJRVVZQFCMWJL-UKHYQQATSA-N 464.530 4.956 50 1 JJGF N#C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496725 DYGVUVBACUDFKP-RDPSFJRHSA-N 457.357 4.618 50 1 JJGF COc1c(F)cccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587718096 HVFBFIVJXMOMTF-YPMLDQLKSA-N 461.144 4.909 50 1 JJGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C/[C@@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 40860764 KFNRVRQZGWBRJR-IBRBVFQMSA-N 456.579 4.854 50 1 JJGF Cc1cc(/C=C(/C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056965 QTPYRQRUXGXRST-GDNBJRDFSA-N 486.384 4.989 50 1 JJGF Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587537168 BLEFBHSURJTUQB-SIKLNZKXSA-N 470.275 4.861 50 1 JJGF COc1cc2c(cc1OC)[C@@](CCCCl)(c1ccc(C3OCCO3)s1)N(C)[C@@H](C)C2 962576170 WOGCQKVXTLZJNK-WNSKOXEYSA-N 452.016 4.950 50 1 JJGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 962922353 QCSZNZIHJGEPKI-URXFXBBRSA-N 470.338 4.642 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=CCC[C@H](C)CC)CC[C@H]2C(=O)OC 2356805344 VGRLZLRYWXXGNZ-FFAOFWBOSA-N 456.579 4.697 50 1 JJGF CC/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C 96903368 ORDGCBBEIXWQFI-JCMHNJIXSA-N 479.172 4.953 50 1 JJGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccoc43)[nH]c2c(OC)c1OC 205937936 DWQYILVVCVQOOR-LBPRGKRZSA-N 456.882 4.628 50 1 JJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539721 XWFQKKIEOJRMLS-WNOPAQSVSA-N 483.314 4.576 50 1 JJGF CO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)CBr 587702399 DSNSINCUXPRNSP-ACVVCLGBSA-N 461.091 4.805 50 1 JJGF C[C@H](Br)[C@]1(c2ccccc2F)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962706454 XPENQXMEWZVOHZ-DNPYPDJRSA-N 464.228 4.610 50 1 JJGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CBr)(c2cc(Cl)c(Br)cc2F)N1 962918646 JEAWQYRSYXLGFU-RDJZCZTQSA-N 495.545 4.618 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 587679337 LSUDJBVCGDYAIF-OVWNDWIMSA-N 467.132 4.604 50 1 JJGF O=C(O)Cn1cc(I)c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)n1 587185712 NOFBXCCBSFTTTM-UHFFFAOYSA-N 494.183 4.773 50 1 JJGF Cc1cc(=O)oc2cc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)ccc12 1857750065 ZDCIYLNNAHWWGB-SQLYEUNYSA-N 486.561 4.705 50 1 JJGF CC(C)C[C@@H](NC(=O)[C@H](CCI)Cc1ccccc1)C(=O)Nc1ccccc1 1650918 YOXNXDPLKDMGEC-TZIWHRDSSA-N 492.401 4.840 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(N2CCCCC2)s1 587609756 DEIUGZIVHJDHAC-CVDCTZTESA-N 456.951 4.935 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587680753 IWZUSFMEFMMPFZ-XNPNBVRTSA-N 492.227 4.722 50 1 JJGF O=C1[C@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53243044 QUPQBTIIGYHTHY-YADHBBJMSA-N 476.945 4.801 50 1 JJGF O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 587329468 XXTRAZWMYXHQSN-NOZRDPDXSA-N 451.881 4.909 50 1 JJGF CN(C)c1cccc2c(S(=O)(=O)N3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cccc12 621476112 NAYSACMPUAXGPW-UHFFFAOYSA-N 498.645 4.517 50 1 JJGF CSc1ccc(/C=N/NC(=O)N2CCc3ncnc(Nc4ccc(F)c(Cl)c4)c3C2)cc1 1857642411 RNKOYUWPXPGNMW-LUOAPIJWSA-N 470.961 4.836 50 1 JJGF C[C@@H]1[C@@]2(CO)CC[C@@H]3C4=C5CCC[C@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356492751 CGKJNYJXGOLYNH-XLHWHXQUSA-N 489.751 4.519 50 1 JJGF C[C@@H](CC=CC(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356531039 YDCMTTMWZFUDMR-IYUOKUNMSA-N 450.660 4.943 50 1 JJGF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCBr)OCO2 26974329 RSBWWFKWURUQER-AWNIVKPZSA-N 484.346 4.872 50 1 JJGF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(Cl)cccc2Cl)N1C(=O)CCl 66101766 VJCRBWFFOAEHKQ-JXFKEZNVSA-N 451.737 4.729 50 1 JJGF CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n(C)c1 586947518 QPDIMSBBWVDOQG-UHFFFAOYSA-N 495.293 4.896 50 1 JJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O 587413246 FYLLATAFJHOKCE-RBZFPXEDSA-N 498.167 4.513 50 1 JJGF O=C(CC12CC3CC(CC(C3)C1)C2)NN=C[C@H]1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 1857592474 PMTCLZLJROJCEE-ZSBIDBKNSA-N 469.585 4.661 50 1 JJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Cl)cc(Cl)c1O 95808505 IWEXRDMYSTXZEL-ZMOGYAJESA-N 452.338 4.834 50 1 JJGF COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 95601353 NITCUWYXOWPRDV-NDEPHWFRSA-N 492.579 4.545 50 3 JJGF CC/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C 95560371 ORDGCBBEIXWQFI-PXLXIMEGSA-N 479.172 4.953 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2COc3ccccc3O2)[C@H]1c1ccc(F)cc1 587321667 KKYWZASBZAZNQM-AOHZBQACSA-N 485.305 4.864 50 1 JJGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587418036 RFEZHSMREISXEX-RLWLMLJZSA-N 465.933 4.771 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688010 JLMJULZMGJFCIE-CFMSYZGJSA-N 457.771 4.726 50 1 JJGF C=C(C=CC=C(CO)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 2356578376 PFWNRJSLKAVWGD-CDTAUBPISA-N 486.693 4.970 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](Cc3ccccc3)N(CCCl)CCCl)cc(O)c21 473082426 HOJLBAYWKRGVLC-HXUWFJFHSA-N 484.379 4.937 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1ccc(Cl)c([N+](=O)[O-])c1 963045505 GJYSNJIXKKOHFW-HXUWFJFHSA-N 462.731 4.589 50 1 JJGF S=C(SSC(=S)N1CCN(C2CCCCC2)CC1)N1CCN(C2CCCCC2)CC1 45258214 SRAPQIHJGLSCFD-UHFFFAOYSA-N 486.842 4.838 50 1 JJGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587328743 CFTIJMOZONLXHI-AOYPEHQESA-N 485.914 4.842 50 1 JJGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC 587412265 IKQYLUUVRNALIL-UPCLLVRISA-N 483.977 4.968 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2C([C@@H](C)Br)([C@@H](C)Br)N1 587671451 SBUXJDOMXWGBLD-IWSPIJDZSA-N 458.007 4.885 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)F)N1 587706181 OTYDEIAITQZAAK-GCXOYZPQSA-N 483.923 4.996 50 1 JJGF CC(=CC[C@H](O)[C@@](C)(Br)CCl)[C@H](Cl)C(Br)Br 2356792420 JRSPMKLAEFXQJW-NRPADANISA-N 461.847 4.799 50 1 JJGF COc1c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c(C)c1[N+](=O)[O-] 587376371 XEKXDQYBLODNQG-LJQANCHMSA-N 469.719 4.711 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587683578 HOQWUOUYKIKXMA-SQHYZVFZSA-N 453.783 4.802 50 1 JJGF CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685479 QWRMWZQHADVJBP-ZSEKCTLFSA-N 453.783 4.583 50 1 JJGF CN1C(=O)C[C@H]2CN[C@@](C)(c3cccc(N4Cc5ccccc5C4=NC(=O)CCl)c3)c3cccc1c32 963025413 JZWPGTVWCYMTDY-SLQAJWMNSA-N 499.014 4.536 50 1 JJGF O=C(O)C1CN(Cc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)C1 1857615829 NCOPSXHKWCURAR-UHFFFAOYSA-N 453.579 4.688 50 1 JJGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1cccc(F)c1 95569745 SYGMRGDKCWCFHM-RUZDIDTESA-N 455.489 4.759 50 3 JJGF O=C1c2cccc(O)c2C(=O)c2c1ccc([C@@H](c1ccccc1)N(CCCl)CCCl)c2O 473085543 XRSVAEWZKPBGFV-JOCHJYFZSA-N 470.352 4.742 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 587673601 OQANYRBPILSDCH-SPLOXXLWSA-N 498.234 4.598 50 1 JJGF CO/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CBr 587700495 BLDAONJKVPCJEB-NIIWSHKHSA-N 461.091 4.805 50 1 JJGF CC[C@@H](C)C[C@H](/C=C(\C)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/[C@H](O)[C@H](C)/C=C(\C)C=O)CO 1857557173 NVPXIJZSAVUDBQ-LFHUWNPQSA-N 464.687 4.616 50 1 JJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCCO2 587537307 CSJFUNWESSKOFK-XUZZJYLKSA-N 483.314 4.806 50 1 JJGF CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544890 PMBQKISBXKHBTR-JYFHCDHNSA-N 465.933 4.557 50 1 JJGF C[C@H](Br)[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587669188 AYYPFQUVIQIDEH-LHGDVCQASA-N 458.007 4.885 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)Br)N1 587671480 SEFSZDCMNSUBDT-RTHLEPHNSA-N 458.007 4.886 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ccc(CBr)nc2n1 587877119 VNEIOTCLSLKFLB-UHFFFAOYSA-N 463.162 4.542 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 17654903 OJCKRNPLOZHAOU-ZMFGNWPESA-N 489.653 4.636 50 1 JJGF O=C(N/N=C/c1ccc(OC(F)(F)C(F)F)cc1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O 73140314 URURDSUJHUYUST-JBQSXSRFSA-N 475.320 4.548 50 1 JJGF CCOC(=O)[C@H](C)Oc1ccc(O[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 103183658 SGAKSKACISAWRD-GJMDDMSRSA-N 476.566 4.604 50 1 JJGF Cc1ccc(-n2nc(C)c([C@@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CCC4)c2Cl)cc1 169310622 OPFYYYALZSRLSO-QHCPKHFHSA-N 470.964 4.842 50 1 JJGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccccc1OCC(F)F)N(C)[C@H](C)C2 962618041 BHHCLDAYSVMIBQ-JLCFBVMHSA-N 470.354 4.863 50 1 JJGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 30729522 OJCKRNPLOZHAOU-JTHVHBRGSA-N 489.653 4.636 50 1 JJGF in-vivo O=C(CCCC[C@@H]1CCSS1)NC[C@@H](O)CNc1c2c(nc3ccccc13)CCCC2 299866613 PDYJCWAZIZYPDT-QZTJIDSGSA-N 459.681 4.717 50 1 JJGF COc1cc2c3c(c1)O[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587419526 DSTWWYZHMKDNQX-HPJWIMSGSA-N 491.971 4.958 50 1 JJGF COc1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1F 963190665 WSEPJFSTKIGILA-ACJLOTCBSA-N 496.682 4.744 50 1 JJGF COc1cc2c(cc1OC)[C@]1(CCOC[C@@H]1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670797 GODPVLUEMDKJJG-UNMCSNQZSA-N 469.887 4.644 50 1 JJGF Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc([S@](=O)C(F)(F)[C@@H](F)Cl)c1C 31500341 FAZPLAWGIZEIEN-XHDOVSQSSA-N 468.831 4.778 50 1 JJGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccsc3)N(CCCl)CCCl)cc(O)c21 1857542331 IJBUOJARHXEQRU-HXUWFJFHSA-N 476.381 4.804 50 1 JJGF CCc1ccccc1C(=O)N=c1[nH][nH]c2c(C)c(F)c(C3C(C#N)=C(C)N(C)C(C)=C3C#N)cc12 1857614271 OZFFKOSQNBBYCA-UHFFFAOYSA-N 468.536 4.871 50 1 JJGF CCC=CC[C@H](Br)[C@H](C[C@@H]1O[C@@H](C=C=CBr)C[C@H]1OC(C)=O)OC(C)=O 2356379847 JRQQPVJNDFEESP-KERAJNJYSA-N 494.220 4.581 50 1 JJGF C=C1CC[C@H](Br)[C@@]2(C)[C@H]1[C@H]1[C@H](C(C)C)[C@H](OC(C)=O)C[C@@](C)(O)[C@@H]1C[C@H]2OC(C)=O 2356422434 CJMZSYYBYRJMHN-OIMGCQNTSA-N 485.459 4.649 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(C)o3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45288058 OYZBQRBMNDPHEC-JOCHJYFZSA-N 463.534 4.555 50 1 JJGF CC(C)CN(NC(=O)c1cc(-c2ccccc2)cs1)c1nc(C#N)ncc1Br 58541371 JDZLJJJZKHECAT-UHFFFAOYSA-N 456.369 4.647 50 1 JJGF Cn1nccc1CS(=O)(=O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586923770 UZPHMKGCUMAAED-UHFFFAOYSA-N 495.293 4.831 50 1 JJGF C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325081 BYJJXZVVTAGNJZ-LLZJGCNPSA-N 467.924 4.615 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587671552 TYDDVNHAZQQXHN-FDMGOTLNSA-N 471.164 4.878 50 1 JJGF COC(=O)Cc1c(SSc2c(CC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 13832594 VKAVZECRLVSBOG-UHFFFAOYSA-N 468.600 4.900 50 1 JJGF C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539285 VFDFHFOHDMOZDC-OFNKIYASSA-N 468.303 4.603 50 1 JJGF O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2ccc(F)c(Cl)c12 587631191 XIUCHAFXSDCUCI-UHFFFAOYSA-N 454.626 4.696 50 1 JJGF Cc1cc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(F)cc1Cl 963239134 ZXEPWWIJBIUNHE-TZIWHRDSSA-N 463.734 4.573 50 1 JJGF COc1cccc(/C=N\NC(=O)c2cc(Cl)cc(C)c2NC(=O)c2cccnc2Cl)c1OC 103216262 AUIIUOKEGLWPEO-PPDIBHTLSA-N 487.343 4.730 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 587679326 LSUDJBVCGDYAIF-DGIBIBHMSA-N 467.132 4.604 50 1 JJGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]2(C)[C@@H]1C(=O)COC(=O)C(C)(C)C 253637395 VTIRLZJHXPPVJA-JAGCSPBMSA-N 477.041 4.503 50 1 JJGF CCOC(=O)[C@@H](C)Oc1cccc(O[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 299818114 CKPXDMSGORRMPP-GJTJEDRXSA-N 476.566 4.604 50 1 JJGF CC(=O)Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538952 SGHFANGIKKKZTN-REWPJTCUSA-N 468.303 4.603 50 1 JJGF O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653774469 CNIGANREZFLELS-JFLMPSFJSA-N 464.441 4.624 50 1 JJGF COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C2CC2)cc1 33560970 NULYENOSVPTJOG-GKVSMKOHSA-N 463.965 4.540 50 1 JJGF CC(=O)N1CCc2sc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C1 587373119 LJIXNMBXBIJZRK-ZCYQVOJMSA-N 485.964 4.991 50 1 JJGF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCBr 587538037 MITCWZOVSJAIHH-NZQKXSOJSA-N 471.303 4.877 50 1 JJGF N#C/C(=C\c1cc2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1)C(=O)O 587898297 FMBXLFOTDNNQJG-AWNIVKPZSA-N 475.378 4.972 50 1 JJGF Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587671923 BKTXEOKNBVGZRJ-BBATYDOGSA-N 472.152 4.978 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCCCl)cc1F 587893998 NWTKRFYWYZLILQ-UHFFFAOYSA-N 455.744 4.800 50 1 JJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1cccc(F)c1Br 963635729 OCQQHEKSVAYIJN-WLRWDXFRSA-N 473.180 4.778 50 1 JJGF O=C(NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1ccco1 1772571158 BVZAWAKVSFWYGP-ACCUITESSA-N 464.485 4.540 50 1 JJGF C=C(CC[C@@H]1OC1(C)C)[C@H](Br)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 230817348 IQWIQURCMLANFO-BXHWFQDBSA-N 493.438 4.548 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 587373133 PYSHHZKBLUCEBK-VWLOTQADSA-N 481.335 4.861 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587769606 OREJGQBOBJNHJY-BSEYFRJRSA-N 499.384 4.504 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)[C@@H]2Br 962639016 OAMOGRVTTCURLL-JLXSXFOYSA-N 462.306 4.599 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325721 GWTPLACAGSWNIS-REHUZNOOSA-N 461.917 4.877 50 1 JJGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669548 DZWVZKVLENQWBH-OPURJYLOSA-N 485.191 4.693 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587674481 XBDGLSLIYRSEPM-ZSEKCTLFSA-N 496.218 4.888 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 587682141 BJTCXMXRSKYNHT-GIPWTMENSA-N 452.755 4.582 50 1 JJGF O=C1CCc2cc([C@@]3(CBr)c4cccc(F)c4CCN3[C@@H]3CCSC3)c(F)cc2N1 962723255 YWNUUEYIEGTVKC-IQMFZBJNSA-N 493.417 4.852 50 1 JJGF FC(F)(F)c1cccc2c1[C@]1(NCC23CCOCC3)c2ccccc2C[C@@H]1Br 962959938 QZPBNLIBWUSVSZ-RXVVDRJESA-N 452.314 4.920 50 1 JJGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CBr)C1(c2ccccc2)CC1 963155565 YTHNQKMQNORSNP-OPAMFIHVSA-N 493.423 4.712 50 1 JJGF CC(C)(C)[C@]1(/C(C#N)=C\c2ccccc2[N+](=O)[O-])N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237184 WVEQOGMEHBDHDK-COPBAOALSA-N 456.502 4.590 50 1 JJGF CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)Br)[C@@H]1c1ccccc1 169341319 VQOLLBMSCRRQPS-SPRUFDBQSA-N 460.368 4.652 50 1 JJGF Nc1ncnc2c1c(-c1ccc(I)cc1)nn2C[C@H](Cl)c1ccccc1 1857552489 CYWWUJXNIAAMES-HNNXBMFYSA-N 475.721 4.660 50 1 JJGF O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccc3ccccc23)no1 40878897 VKWJLJUDMWFVCW-UHFFFAOYSA-N 457.437 4.540 50 1 JJGF COc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587674449 WRFUEUVLNZGXTN-MGNBDDOMSA-N 488.151 4.678 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687430 GSIDIJHSHUXCMA-XMHCIUCPSA-N 475.793 4.878 50 1 JJGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(C(=O)OCOCC[Si](C)(C)C)CC[C@@H]12 195400996 GJFCRCODCFMAMH-LQGLAIQGSA-N 457.643 4.593 50 1 JJGF Cc1ccc(/C=C(\C#N)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1 587187813 KZULDTOJXTUJFU-KOEQRZSOSA-N 490.611 4.935 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)CC2=O 587462305 XMNVQDWOXGBNMI-MHZLTWQESA-N 479.960 4.814 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587687216 ZDMFJHTZSDHUED-ASSNKEHSSA-N 451.767 4.732 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101203089 NYJRVVZQFCMWJL-QGHPIZDLSA-N 464.530 4.956 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc([N+](=O)[O-])c1 587537218 BVWJIMFUUFCNND-WIYYLYMNSA-N 456.248 4.552 50 1 JJGF C[C@@H]1[C@@]2(CO)CC[C@@H]3C4=C5CCC[C@@]6(CCNC(=N)N6)CSSCC[C@@](C)([C@H]3C2)[C@]41CC5=O 2356492750 CGKJNYJXGOLYNH-OOBIHVJASA-N 489.751 4.519 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543563 KTVJUYSOOBBYFF-YQYBNWHVSA-N 451.906 4.685 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 587673447 MVXHPAJUZSVDKP-PRWKNARSSA-N 481.159 4.867 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685464 QVATVFPDIRYVDU-ZNLKAECVSA-N 453.783 4.802 50 1 JJGF CC(C)(CCl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)NCCc2nc3ccccn3c21 962986276 RXCFNDNWOURAMA-HHHXNRCGSA-N 458.993 4.975 50 1 JJGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2c[nH]c3ncccc23)N1C(=O)c1ccccc1 963448983 OXFPBQHQGJXHJU-CUNXSJBXSA-N 484.943 4.678 50 1 JJGF CCn1ccc2c3c(ccc21)[C@@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=C(N)O3 38658355 LKYNOWDQWJLYCD-LJQANCHMSA-N 454.324 4.659 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685457 QVATVFPDIRYVDU-OSRJUQGESA-N 453.783 4.802 50 1 JJGF COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587689847 XDDSZPRAGHFKPX-LAJNKCICSA-N 471.798 4.586 50 1 JJGF Fc1cccnc1[C@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962954931 LPVABGSZMJAHRU-LJQANCHMSA-N 459.281 4.529 50 1 JJGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2cc1OCCN(C)C 5582531 ICDLORFTMVAAEZ-QGZVFWFLSA-N 493.007 4.835 50 1 JJGF COc1ccc([C@H](CCC(=O)O)O[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 100783604 ARXRTBLAHCPUGY-XMRDSHQESA-N 476.566 4.826 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1C 962618815 CFVJHIZJVQIWLO-RZFZLAGVSA-N 495.041 4.568 50 1 JJGF C=C(C=CC=C(CO)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 2356578379 PFWNRJSLKAVWGD-RULDIGERSA-N 486.693 4.970 50 1 JJGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC=C([C@@H]2C(C=O)=C3C[C@H](O)CC[C@]3(C)[C@@H]2C=O)[C@@]1(C)C(=O)O 2356703051 JOTHWTICYBJQAR-VIXJSAJESA-N 456.623 5.000 50 1 JJGF Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)CC(C)(C)C 103207295 IGUVXZGGJYCLMD-UHFFFAOYSA-N 467.795 4.615 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543560 KTVJUYSOOBBYFF-NBCYMOSYSA-N 451.906 4.685 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)CC(=O)O)N1 587672209 YERGZUPMYUUPIA-VWCVUJCZSA-N 471.164 4.604 50 1 JJGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)[C@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962957582 NVAKKWHTZNVIPO-WCCBULMPSA-N 486.372 4.952 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(N3CCCC3=O)c1)CC2=O 587457247 WWSQJSGPXAOWSN-QHCPKHFHSA-N 458.352 4.727 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541734 DIVRAYPWDCARRT-PCKXHRCSSA-N 469.921 4.998 50 1 JJGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1ccc(N2CCCC2)cc1 963038319 SAEYJOJJGYTGER-XMMPIXPASA-N 452.396 4.628 50 1 JJGF C=C1C[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(O)C(C)=O 1857581260 SZGQTKQSDGZCFY-LOHXQBLTSA-N 453.804 4.720 50 1 JJGF c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c(OCCN2CCOCC2)c1 137601706 YSADXOSJDXMGNU-UHFFFAOYSA-N 469.622 4.882 50 1 JJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H](CCC(=O)O)c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 142750634 NYJRVVZQFCMWJL-IDQGLQTJSA-N 464.530 4.956 50 1 JJGF O=C1c2ccc(O)cc2O[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587329219 XMYYEXNQHLKXKM-BKMJKUGQSA-N 479.891 4.554 50 1 JJGF CC(=O)NCCc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587333868 NPOXBWHNKCERMN-AZGAKELHSA-N 485.914 4.842 50 1 JJGF CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537633 JIQUMKATSOZLDA-GBXCKJPGSA-N 483.314 4.821 50 1 JJGF CCOC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587674458 WSRMVBCTTVMFDF-YUNKPMOVSA-N 485.191 4.938 50 1 JJGF CCOP(=O)(OCC)[C@@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1Br 73258578 WLHAKABOPIOJDN-HXUWFJFHSA-N 495.314 4.535 50 1 JJGF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587506549 UBUYZZSUHVLECY-OAQYLSRUSA-N 464.287 4.877 50 1 JJGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541301 ASNNZYLYMXQVOI-XZOYJPPVSA-N 461.942 4.881 50 1 JJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587673713 PSWYGQLRMNPSEK-MGNBDDOMSA-N 488.151 4.678 50 1 JJGF COc1ccc2c(c1OC)[C@@](CBr)(Cc1ccccc1)N(C(=O)c1ccccc1N)CC2 963149410 UUEPKUPSHIQDDK-SANMLTNESA-N 495.417 4.817 50 1 JJGF COc1ccc2[nH]cc(C(=O)O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 1857582142 ZITQNNKOWYAZDV-XTHAMVQISA-N 457.523 4.541 50 1 JJGF CC(C)[C@@H]1C[C@H](OO)C=C2[C@H]3[C@](C)(CC[C@]21CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 2356455623 BDSVYFLMKBMVBZ-GWGDKXHXSA-N 496.280 4.524 50 1 JJGF Oc1c(Cl)c(/N=C/CC2C[C@H](Br)C(O)[C@@H](Br)C2)c(O)c2ncccc12 169717680 CXAUIZABWQKNMD-VQZUTHOGSA-N 492.595 4.690 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 587674640 YJEAHQPDEIRVET-WYRIXSBYSA-N 471.164 4.532 50 1 JJGF COC(=O)c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 587874833 HWKLDLGGIQTMGC-UHFFFAOYSA-N 483.189 4.580 50 1 JJGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(OC(F)(F)F)c1 1857549144 CPJPJDDBYFZBSU-QPSGOUHRSA-N 482.050 4.580 50 1 JJGF C=C(C=CC=C(CO)[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 2356574379 XVFORSWJIMCHND-OEWGIKMGSA-N 486.693 4.970 50 1 JJGF CC[C@@H]1OC(C)(C)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@]1(C)O 2356695772 WLESBISKGZXAHE-VZZNCHCQSA-N 470.726 4.880 50 1 JJGF CC(=CC[C@H](O)[C@@](C)(Br)CCl)[C@@H](Cl)C(Br)Br 2356792423 JRSPMKLAEFXQJW-XKSSXDPKSA-N 461.847 4.799 50 1 JJGF CCS/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 1911574066 KADSXFROBCCECY-BSYVCWPDSA-N 497.602 4.631 50 1 JJGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCBr)[C@H]3CC[C@@H]12 26004422 ACOOMDBVWCJRIF-BYKUIFLTSA-N 450.461 4.759 50 1 JJGF CC(C)(Br)[C@@H](Br)CC[C@]1([C@@H](Br)CBr)CO1 195488224 GGAPYRSAAHUZID-OYNCUSHFSA-N 471.853 4.631 50 1 JJGF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 586937334 LWDFHDUAQOYSOG-HWPZZCPQSA-N 487.472 4.629 50 1 JJGF COc1ccc(-c2csc([C@@H](C#N)[C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC 587412256 IKQYLUUVRNALIL-GYCJOSAFSA-N 483.977 4.968 50 1 JJGF Cc1c(F)ccc2c1[C@](CBr)(c1ccc([N+](=O)[O-])cc1Br)NCC2 962093590 QGSAESYXLJUVHJ-KRWDZBQOSA-N 458.125 4.589 50 1 JJGF O=C(O)c1cccc(NC(=S)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)c1 27630765 BZHJNIXLXCPWED-UHFFFAOYSA-N 497.754 4.727 50 1 JJGF COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCC[C@H]2CCSS2)c(Cl)c1 35833585 SMIBYZRCIQDRNX-KRWDZBQOSA-N 460.061 4.997 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962634188 HXPNZTMGZOQVKY-SHQCIBLASA-N 481.061 4.650 50 1 JJGF O=C(NCC1CCNCC1)c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1 1857752980 ZOZVFPZKUXUUHK-UHFFFAOYSA-N 496.648 4.832 50 1 JJGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl 82053303 YFFWHQUALIZWFH-GOSISDBHSA-N 490.806 4.944 50 1 JJGF CC(C)(Br)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539018 UEYLOMHFQPLFRN-KBXCAEBGSA-N 456.130 4.661 50 1 JJGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587674117 SWSUITRJSVXGOE-NSPYISDASA-N 470.180 4.719 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3ccc4c(c3)CCCC4)N12 962630396 DZSVCQOYBFOYKQ-FTJBHMTQSA-N 479.418 4.851 50 1 JJGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCl)(Cc2cccc(Br)c2)N1 962632575 JAABMZXJPWOOHG-WMZOPIPTSA-N 478.692 4.623 50 1 JJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375741 NUVUSFVNDSDZPJ-MZLICYQSSA-N 489.952 4.980 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587538057 MTLNDSJLOKFWGF-KNQAVFIVSA-N 486.274 4.561 50 1 JJGF O=c1nc(O)c(F)cn1CCSSCCN1C=CC(=CC=C2C=Nc3ccccc32)C=C1 1857626536 ZFDQSKONTLVCEK-UHFFFAOYSA-N 468.579 4.538 50 1 JJGF COc1cc(Br)c(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1OC 72139771 FVKLGBOQEOEWKC-FOKLQQMPSA-N 474.380 4.565 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2C([C@@H](C)Br)([C@@H](C)Br)N1 587669186 AYYPFQUVIQIDEH-IWSPIJDZSA-N 458.007 4.885 50 1 JJGF CS(=O)(=O)c1ccc([C@]2(CBr)c3ccsc3CCN2Cc2ccco2)cc1F 962709452 NNBVQIXDWKTXQA-HXUWFJFHSA-N 484.412 4.581 50 1 JJGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963190175 DDAHNUNQEYLRIN-UIOOFZCWSA-N 466.654 4.823 50 1 JJGF O=C(O)c1cc2[nH]c(CBr)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586972527 VYZYYEQQFHSRIB-UHFFFAOYSA-N 465.259 4.740 50 1 JJGF COc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1Cl 962704147 UMWICCMUMKVPHB-MAUKXSAKSA-N 452.231 4.588 50 1 JJGF Cc1[nH]nc2c1[C@](c1cc(F)cc(-c3cccc(CCC(=O)O)c3)c1)(C(C)C)C(C#N)=C(N)O2 1772606789 MGFALDRJNSGSKD-SANMLTNESA-N 460.509 4.570 50 1 JJGF Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 169310620 CGQMUBQETZXNJH-QFIPXVFZSA-N 456.937 4.534 50 1 JJGF COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)NNc1ccccc1 299856370 BQFFKAYYRBHSFA-UHFFFAOYSA-N 494.345 4.941 50 1 JJGF C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)Nc1ccc(Br)cc1 1772636153 UELIYXVKWFHRCR-PCLIKHOPSA-N 453.340 4.601 50 1 JJGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2[nH]1 95560747 BWISGSRQRSKCSR-ZVBGSRNCSA-N 451.118 4.553 50 1 JJGF O=C(c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1)N1CCOCC1 1857633207 IKIQRXLYCSFTHB-UHFFFAOYSA-N 469.578 4.575 50 1 JJGF CC(C)C[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl 473082065 GBNBYAUXIZOMSP-KRWDZBQOSA-N 450.362 4.740 50 1 JJGF CCOC(=O)[C@@H](Br)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587874980 LVBADBIPGKHJQF-FQEVSTJZSA-N 483.189 4.703 50 1 JJGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322154 GHBSTOJXHLLXJP-QNPTVLGTSA-N 467.880 4.744 50 1 JJGF CCOC(=O)[C@H](C)Oc1cccc(O[C@H]2O[C@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)c1 103180539 CKPXDMSGORRMPP-LKMDKSRVSA-N 476.566 4.604 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541733 DIVRAYPWDCARRT-LYWOYCCESA-N 469.921 4.998 50 1 JJGF CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672105 CXKGRMKMYFGPIX-ADLMAVQZSA-N 465.201 4.692 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 587673407 MPAJWHMLXZQRSE-YEJXKQKISA-N 496.218 4.888 50 1 JJGF CCOC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nn1[C@H]1CCCN(C(=O)CCl)C1 1857610993 GLGXTLLJCXESGD-IBGZPJMESA-N 467.953 4.921 50 1 JJGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(Cl)cc3)ccc21 1857753877 XADFVDFOVPZOCS-HHHXNRCGSA-N 495.982 4.670 50 1 JJGF CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CN(CCCl)CCCl)cc1 1559506 AXKRPKPVJLEHMP-UHFFFAOYSA-N 459.377 4.578 50 1 JJGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685459 QVATVFPDIRYVDU-QRQYBIJMSA-N 453.783 4.802 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 587736381 VVBABSSHGUJHTK-CFMSYZGJSA-N 455.730 4.629 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H](Br)CC(=O)O)N1 587844547 BTQNTJZDFIDYMW-PWVDTXNTSA-N 477.193 4.666 50 1 JJGF C[C@]12CC[C@H]([C@]3(NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)C1=O)[C@@]2(C)CBr 962957565 NVAKKWHTZNVIPO-KMQSCTNJSA-N 486.372 4.952 50 1 JJGF C[S@](=O)(=NC=C(C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1857622398 FZYINULLECZLGY-WJOKGBTCSA-N 454.489 4.591 50 1 JJGF COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587416931 GKWMTEZVTKMUMC-ZOSUSCCZSA-N 463.917 4.593 50 1 JJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc([N+](=O)[O-])c1 587537216 BVWJIMFUUFCNND-NQIIRXRSSA-N 456.248 4.552 50 1 JJGF CN(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539736 YATSDQCGFCLBGD-NFBKMPQASA-N 454.320 4.710 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587689068 PJGFLSOMQRSYFD-FRKIPOMISA-N 457.771 4.725 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587689526 UBOWIBYGUUWDJC-DYLYQXKESA-N 457.771 4.725 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Cl)c(Br)c1 587878660 OJCIYCUTMZVHPO-UHFFFAOYSA-N 459.554 4.845 50 1 JJGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2c[nH]c3ncccc23)N1C(=O)c1ccccc1 963448992 OXFPBQHQGJXHJU-WXVAWEFUSA-N 484.943 4.678 50 1 JJGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)[C@@H](C2)C3=O 587414938 PRWRQYMQIITFAX-WGGBDISSSA-N 458.352 4.716 50 1 JJGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587688982 OMSVJMQMVACFTC-WHEQGISXSA-N 485.825 4.976 50 1 JJGF CC1=C(CCl)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857755242 QPSKXVLKCQCTJU-CKNDUULBSA-N 489.052 4.599 50 1 JJGF Oc1c(Cl)c(/N=C/CC2C[C@@H](Br)C(O)[C@H](Br)C2)c(O)c2ncccc12 169717681 CXAUIZABWQKNMD-LWDXFUGKSA-N 492.595 4.690 50 1 JJGF O=C(NNc1nc(Cl)nc(Cl)n1)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 1857767896 YRXNRXLSHKBDHJ-UHFFFAOYSA-N 468.279 4.771 50 1 JJGF Cc1cc([S@](=O)C(F)(F)[C@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500367 OTSINPJLWYNOBQ-BEIWTESXSA-N 468.831 4.778 50 1 JJGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1O[C@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356465813 IIQDOCHDDGPWEN-FOXXUHHKSA-N 481.372 4.885 50 1 JJGF O=C(N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cc2ccccc2[nH]1 195121180 QRFRSXPAWWZLOU-RUZDIDTESA-N 483.377 4.605 50 1 JJGF CC(=O)N1[C@@H](CCO)CCC[C@]12CCC[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195331269 HXNYLNKTNAOFRC-MQNCWCGJSA-N 493.764 4.885 50 1 JJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587009987 YPFLGMPLZPPYDD-AWEZNQCLSA-N 471.817 4.732 50 1 JJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610439 CHJBXXPDJGNUHY-GQIHDASDSA-N 457.935 4.574 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)F)N1 587706179 OTYDEIAITQZAAK-BLTYZCFWSA-N 483.923 4.996 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1C 962618813 CFVJHIZJVQIWLO-RKNYENMMSA-N 495.041 4.568 50 1 JJGF C[C@]1([C@@H](Cl)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccsc2CCN1C(N)=O 962705461 NSJPLNXSLZVQKD-WMLDXEAASA-N 466.312 4.818 50 1 JJGF CC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CC)NC(=O)c1ccccc1 36176402 CEAQLKDYOYEPQY-SZPZYZBQSA-N 480.605 4.526 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586985343 UTXNQRJXIVLSAJ-DEOSSOPVSA-N 466.331 4.684 50 1 JJGF Cc1[nH]c2ccc(F)cc2c1[C@]1(CCl)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148851 OYJCZJZGJBUKGO-KSFYIVLOSA-N 479.961 4.801 50 1 JJGF COc1ccc(F)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587728491 FCHIOVPRSJYCEF-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF COc1ccc2c(c1)[C@](CBr)(c1cc(OC)c(OC)cc1Cl)N[C@@H]1CC[C@H]21 962999647 ZBBAPMRIQHJMMF-CFCCAZDESA-N 452.776 4.854 50 1 JJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br 587323502 KRRYLAFZQIDKIK-LBNILFRASA-N 489.337 4.913 50 1 JJGF COc1cccc(-c2cc([C@H](OOC(C(C)=O)C(C)=O)C(C)=O)nc3c2oc2ccccc23)c1 587366701 YPHNAKILVOPILU-RUZDIDTESA-N 461.470 4.782 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr 587376836 KPRVGBJIXPNJTK-QKPHTXKDSA-N 457.206 4.876 50 1 JJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587537907 LOUVRMKPJGZCBR-REWPJTCUSA-N 471.303 4.661 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c[nH]c3ncccc23)N1 587673210 LLBOLHJQCGDCAX-MGNBDDOMSA-N 453.153 4.637 50 1 JJGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587684938 NDSMIJYGIREGKB-CFMSYZGJSA-N 457.771 4.726 50 1 JJGF COc1cccc([C@@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1F 962703589 NKAYLMVYFLHPKV-SPLOXXLWSA-N 454.380 4.976 50 1 JJGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(OC)c1Br 72110791 CJRCYVQJLGGQPI-FOKLQQMPSA-N 474.380 4.565 50 1 JJGF CN1CCC(N(C)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)CC1 254077838 NWJFYAIOIRSLDF-WGSAOQKQSA-N 473.683 4.944 50 1 JJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccs1)C(Br)Br 963633417 HYNNRSZBHIHMEP-QGHHPUGFSA-N 461.219 4.659 50 1 JJGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC 587412249 IKQYLUUVRNALIL-FYSMJZIKSA-N 483.977 4.968 50 1 JJGF COc1ccc([C@@]2(CCl)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1Br 962572773 QLIFAEOTMJIERG-ZSEKCTLFSA-N 454.792 4.834 50 1 JJGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c2ncccc2c1 1857643948 WAEIBIIRQKQQQQ-KQPPXVQYSA-N 481.984 4.521 50 1 JJGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)COc2ccccc2)c1NCCc1ccccc1 13491857 SPCMPXJUKGCALR-FQEVSTJZSA-N 478.980 4.949 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 587674327 WCGWIDARMFOALA-BMLIUANNSA-N 458.125 4.669 50 1 JJGF O=C1CCc2cc([C@]3(CBr)NC4(CC4)Cc4ccc(Br)cc43)c(F)cc2N1 961611054 COXKOKRJWLTSKW-OAQYLSRUSA-N 494.202 4.790 50 1 JJGF O=C1CCc2cc([C@]3(CBr)c4cccc(F)c4CCN3[C@H]3CCSC3)c(F)cc2N1 962723257 YWNUUEYIEGTVKC-WNSKOXEYSA-N 493.417 4.852 50 1 JJGF CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C\C#N 1857598545 VDVNKXCZSSGTFC-ARJAWSKDSA-N 455.877 4.599 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@H](Br)CC(=O)O)N1 587844551 BTQNTJZDFIDYMW-ZXJZVJERSA-N 477.193 4.666 50 1 JJGF N#CC1=COc2cc(Br)ccc2[C@]12N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963190788 NWOIWLKCGIRSAJ-AUUYWEPGSA-N 499.670 4.764 50 1 JJGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 1857568075 NWWMXWGEDBRVHU-PGGKNCGUSA-N 468.724 4.834 50 1 JJGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(F)c(F)c1 13439033 LMXYDQJHMJFVTC-LUOAPIJWSA-N 476.863 4.684 50 1 JJGF CCOC(=O)/C(C#N)=C(\C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884478 MCDIUMYPRWTZIE-LTGZKZEYSA-N 455.341 4.564 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=C[C@H](C)CC(C)C)CC[C@@H]2C(=O)O 2356496313 UJIAILHDYMWIBK-LHOWQWRCSA-N 456.579 4.854 50 1 JJGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1cccc(F)c1S(C)(=O)=O 963221311 ACKHBCVVQWFWBN-QVKFZJNVSA-N 454.405 4.524 50 1 JJGF OC1(COc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CCNCC1 1772613094 LIVREOFCDJBICO-UHFFFAOYSA-N 469.622 4.665 50 1 JJGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccccc1Cl)C(=O)c1ccccc1C2=O 82149440 QAFXDLVHGCKEAI-UHFFFAOYSA-N 453.281 4.545 50 1 JJGF CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325723 GWTPLACAGSWNIS-ROKPMTFOSA-N 461.917 4.877 50 1 JJGF COc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587671756 AMOBQEUGJHVYIW-XTZNXHDOSA-N 488.151 4.678 50 1 JJGF CO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CBr 587702407 DSNSINCUXPRNSP-VVXYKMBASA-N 461.091 4.805 50 1 JJGF C[C@]12C[C@H](c3ccc(OCCNC(=O)CCl)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13557695 BSVYFLUCLKPCPG-MMKFXDFRSA-N 484.036 4.737 50 1 JJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3cccc(F)c3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101272923 DFCFMQCTNPNDEL-MHAFARKRSA-N 456.352 4.963 50 1 JJGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538449 FAWPXGUUEZJDTI-YDMGGKLESA-N 491.341 4.981 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 587674447 WQQWCTPYXULTCX-CWTRNNRKSA-N 456.197 4.827 50 1 JJGF O=C1CCc2cc([C@@]3(CBr)NC4(CC4)Cc4ccc(Br)cc43)c(F)cc2N1 961611028 COXKOKRJWLTSKW-NRFANRHFSA-N 494.202 4.790 50 1 JJGF CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C 95587880 YGBUJACBKXHYOB-OUUYZIRMSA-N 474.594 4.794 50 1 JJGF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587413744 JKYIBXPJXCBZRP-RSXSOOJNSA-N 452.142 4.884 50 1 JJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 587687822 INYJAFUPUKOTDC-WHEQGISXSA-N 475.793 4.878 50 1 JJGF CC(=O)N1CCc2sc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C1 587857714 MRSDHZLIICWZFP-PRWKNARSSA-N 471.823 4.571 50 1 JJGF CCO[P@@](=O)(F)CCC(=O)NCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 43938990 SBRQQXGNAFXLJR-JGCGQSQUSA-N 490.493 4.568 50 1 JJGF N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53243126 NSNOHUZFFPPPQP-LOSJGSFVSA-N 454.578 4.821 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587361548 VOKJZRLTFWPWOP-ISKFKSNPSA-N 474.937 4.650 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 587686843 XRVCNPLOIXHFNW-WSVYEEACSA-N 499.771 4.916 50 1 JJGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc(C)c1O 962921363 BBTWAZVUVYDXBF-DHLKQENFSA-N 453.922 4.588 50 1 JJGF O=C1CCCN1c1ccc([C@]2(CBr)c3ccsc3CCN2Cc2cccnc2)cc1 963018714 YCPDHEDNJUPNDX-XMMPIXPASA-N 482.447 4.967 50 1 JJGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCI)[C@H]3CC[C@@H]12 26005899 KIPNYWJLWBWXIJ-BYKUIFLTSA-N 495.445 4.576 50 1 JJGF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@@H](O)CCl)c1=O 29209457 JBTHJMJGZXHHJO-KRWDZBQOSA-N 451.737 4.686 50 1 JJGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542170 FWKXQJMQBHALGT-NLFFAJNJSA-N 499.903 4.525 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@H](Br)CC(=O)O)N1 587847577 LNGAOGKMDHGXBM-KSYCPYKJSA-N 477.193 4.666 50 1 JJGF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4[C@@H](I)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714119 GATDMMIZAJMORD-HQIRFVMOSA-N 498.449 4.541 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O 587455342 AOPVDAUSPYCECO-HXUWFJFHSA-N 450.285 4.517 50 1 JJGF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587506530 UBUYZZSUHVLECY-NRFANRHFSA-N 464.287 4.877 50 1 JJGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587538047 MLUASZKZXNTGIU-NMNUPHIUSA-N 475.335 4.611 50 1 JJGF CC(C)=CCC=C(C)C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O 2356596175 BMPGBLDSYWACKF-OEWGIKMGSA-N 486.693 4.970 50 1 JJGF C=C1C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O 118922763 SZGQTKQSDGZCFY-ZZCOMDEASA-N 453.804 4.720 50 1 JJGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)c(Cl)cc41)[C@@H](C2)C3=O 587421849 NNQNPBVWKZKDKE-HFJWLAOPSA-N 494.330 4.762 50 1 JJGF COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587448132 HUNRSIKFIORFTJ-PWUYWRBVSA-N 450.474 4.942 50 1 JJGF N#Cc1cccc([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962626447 GYAUMXHFJIFAMP-AZGAKELHSA-N 458.403 4.944 50 1 JJGF O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 40915149 GJGKBKAXAHBKCB-LGJNPRDNSA-N 483.384 4.879 50 1 JJGF CO[P@](=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425623 HRWGWXYHABIRQD-WJOKGBTCSA-N 484.720 4.833 50 1 JJGF O=C1c2ccc(O)cc2O[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587329224 XMYYEXNQHLKXKM-NVQXNPDNSA-N 479.891 4.554 50 1 JJGF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCCCCBr)cc3O2)cc1OC 95563280 DCSTYLUDQCOVCI-SFHVURJKSA-N 451.313 4.670 50 1 JJGF C[C@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)n1)c1ccccc1 103265847 KRDXAWWZPOTPQI-UACASCOKSA-N 475.552 4.650 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)O2 587372387 KWNQKXGRIHWOJZ-ISKFKSNPSA-N 465.893 4.592 50 1 JJGF CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587687106 YULRKOMSZDLGPK-MCMMXHMISA-N 465.794 4.904 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC=C[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 2356425346 KFNRVRQZGWBRJR-VDVLXHGOSA-N 456.579 4.854 50 1 JJGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccc([N+](=O)[O-])cc1Cl 29037333 KEPKSQNDCRACDJ-UHFFFAOYSA-N 466.321 4.812 50 1 JJGF Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)cc1 1857544640 ZDXDJNIBDUSCNF-UHFFFAOYSA-N 463.950 4.997 50 1 JJGF C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325083 BYJJXZVVTAGNJZ-QIGHUWCUSA-N 467.924 4.615 50 1 JJGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)Br)c(C)c2c1 587616595 FLHNFFDOUWLIKV-LLVKDONJSA-N 468.329 4.650 50 1 JJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc4c(c3)CCCC4)N12 962630392 DZSVCQOYBFOYKQ-CLJLJLNGSA-N 479.418 4.851 50 1 JJGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@@H]1O)C3=O 144300970 UTXOFYRFSXYWKW-GCPWPVPHSA-N 495.399 4.589 50 1 JJGF C[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 254144440 KGHPPTLBPKJSIG-SCNOPHJPSA-N 474.722 4.786 50 1 JJGF C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539283 VFDFHFOHDMOZDC-NZQKXSOJSA-N 468.303 4.603 50 1 JJGF COC(=O)[C@@]1(C)[C@H]2CC[C@@]3(C)C(=C(C)C=CC=C(C)C=O)C(=O)C[C@H]3[C@@]2(C)CC[C@H]1OC(C)=O 2356733505 AWDPTRZXHHZHKD-ZQDGRCEVSA-N 470.606 4.921 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 587688717 NKLNDXMHQKAHSI-PTPDTQQLSA-N 499.211 4.666 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587689528 UBOWIBYGUUWDJC-GNGCRJPWSA-N 457.771 4.725 50 1 JJGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642021 QUTCDKUUVQDOIZ-BMIZZYGASA-N 478.692 4.865 50 1 JJGF COc1cc(Cl)c([C@@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962762539 JKJSVFUQTYPDRK-BEFAXECRSA-N 492.719 4.641 50 1 JJGF C[C@@H](CC(=O)N[C@H](C[C@@H](C)C(Cl)Cl)C(=O)N1CCC[C@H]1c1nccs1)C(Cl)Cl 238755647 XBWIEMGIJNHGIK-XQHKEYJVSA-N 489.296 4.951 50 1 JJGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541458 BLXKBFOTVAHSNU-YDIMBITNSA-N 459.926 4.731 50 1 JJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1C[C@@H](CO)[C@H](C1CCCC1)[C@]42CC3=O 2356371890 SDVAQICNXIRWFG-HVEUXXBPSA-N 491.767 4.894 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCNC(=O)Nc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98084684 GPLFOAZBBPNDEK-IEVQEGADSA-N 480.989 4.686 50 1 JJGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537554 HNMFWNYROBHQTM-RNXZCGPXSA-N 469.287 4.761 50 1 JJGF COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](Br)C2 587545264 QFJGFQLMDYFEQY-VIZSFHNOSA-N 453.288 4.578 50 1 JJGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587546588 WVRKHGGPPUUFKQ-ZEQKJWHPSA-N 483.948 4.860 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 587674329 WCGWIDARMFOALA-DYZYQPBXSA-N 458.125 4.669 50 1 JJGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962634190 HXPNZTMGZOQVKY-SQHAQQRYSA-N 481.061 4.650 50 1 JJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C=CC(C)=CCC[C@@H](C)CC)CC[C@@H]2C(=O)O 2356789962 DXPNTMBJXVSKRN-OLGKPCBSSA-N 456.579 4.998 50 1 JJGF O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@@H](CCl)c2c1cc([N+](=O)[O-])c1ccccc21 72107116 FTLNEAVBTKXGIH-OAHLLOKOSA-N 465.893 4.583 50 1 JJGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)cc1 82053296 QJEWUTWUUPAUNF-SFHVURJKSA-N 490.806 4.944 50 1 JJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O 587487213 NFWBBKNDTRUDKW-DEOSSOPVSA-N 473.978 4.791 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)F)N1 587705386 MESFFFGPRPCFSJ-GCXOYZPQSA-N 483.923 4.996 50 1 JJGF CN(C)c1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963172556 DCIFWHGRMHLIST-HKUYNNGSSA-N 491.735 4.662 50 1 JJGF Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671878 VLPYYXHCWJVQDA-CBLJQSSYSA-N 485.191 4.913 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 587674460 WSSPSHCRVBFSEU-LRTDBIEQSA-N 496.218 4.888 50 1 JJGF C[C@H](CBr)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587875340 SFDDPCYYPLXTBW-CQSZACIVSA-N 455.179 4.866 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 587687219 ZDMFJHTZSDHUED-LRTDBIEQSA-N 451.767 4.732 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc([N+](=O)[O-])cc1CBr 587875352 SPEUECOTCTXXCZ-UHFFFAOYSA-N 470.150 4.701 50 1 JJGF O=C(NN=C(c1ccccc1)c1ccccc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O 98082329 WBYKZIYFCJRKGI-UHFFFAOYSA-N 459.509 4.769 50 1 JJGF C[C@@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587874869 JBLCSIVUXYYPOT-CYBMUJFWSA-N 453.163 4.670 50 1 JJGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(NCCc3nc4ccccn4c31)c1ccccc1C2=O 962988462 OJZNJBVIKJMJCB-RMKBEBRYSA-N 491.378 4.536 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCI)cc1 587894900 GYRSYQKIXQJVQT-UHFFFAOYSA-N 472.153 4.681 50 1 JJGF O=c1cc(CCl)oc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1O 64510478 ZYSKBWRPXABPCJ-HSZRJFAPSA-N 459.373 4.645 50 1 JJGF CCOP(=O)(OCC)[C@H](NNC(=O)c1nn(C)c2ccccc12)c1ccc(C(F)(F)F)cc1 73258573 IJROZOHSEJEFNL-FQEVSTJZSA-N 484.415 4.791 50 1 JJGF O=C1c2cccc(O)c2C(=O)c2c1ccc([C@H](c1ccccc1)N(CCCl)CCCl)c2O 473085544 XRSVAEWZKPBGFV-QFIPXVFZSA-N 470.352 4.742 50 1 JJGF COC(=O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587372810 GJMOOYLZVYLHKS-FYYLOGMGSA-N 460.910 4.802 50 1 JJGF COc1cc(Br)c([C@]2(CBr)NCCc3ccc(F)c(C)c32)cc1OC 962149480 WFVGVURROFGJDX-IBGZPJMESA-N 473.180 4.698 50 1 JJGF COc1ccc(Oc2cccc(CN3CCN(C(=O)Oc4ccc([N+](=O)[O-])cc4)CC3)c2)cc1 49767219 SSRDUXSVIZJVGA-UHFFFAOYSA-N 463.490 4.712 50 1 JJGF COc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587715689 IJNJOJLBMGSJGV-YYSFKGJASA-N 477.143 4.614 50 1 JJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c([N+](=O)[O-])c1 587875495 VXWSWFOXRHLZCZ-UHFFFAOYSA-N 456.123 4.507 50 1 JJGF COc1ccc(C[C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963173970 ADHZZUOYLNYFDM-PKOBYXMFSA-N 492.719 4.799 50 1 JJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCC(=O)N3C)CC2=O 587456128 KZVSDTWGKTUDSL-HSZRJFAPSA-N 458.352 4.509 50 1 JJGF CS(=O)(=O)c1ccc([C@@]2(CBr)NCCc3cc(-c4ccccc4)ccc32)c(F)c1 962671305 UHBMCZYKLGUVHO-QHCPKHFHSA-N 474.395 4.680 50 1 JJGF C[C@@H]1CC[C@@H]2[C@](C)(Br)[C@H](Nc3cccc(F)c3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101272921 DFCFMQCTNPNDEL-TXPGZYJVSA-N 456.352 4.963 50 1 JJGF NNC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587036953 BSIVYCWEASNJCB-UHFFFAOYSA-N 462.516 4.503 50 1 JJGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)NN)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054687 HSMFHXPAYCXSMK-CXUHLZMHSA-N 465.344 4.945 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587543840 LVARJJYCTICXHU-NTKDMRAZSA-N 455.894 4.610 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545399 RLAPVSVJHRZYDX-GBXCKJPGSA-N 455.894 4.610 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@H]2COc3ccccc3O2)N1 587672837 ILVRBOAAXUDCEW-CXWAGAITSA-N 471.164 4.553 50 1 JJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688013 JLMJULZMGJFCIE-SBKAZYGRSA-N 457.771 4.726 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(F)(F)C(F)(F)F)N1 587711683 XUTHNAOEFMUJCL-UPONEAKYSA-N 455.034 4.910 50 1 JJGF CS(=O)(=O)c1ccc([C@@]2(CBr)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1 963193787 LPTKKWOWKOLYEA-RPBOFIJWSA-N 495.442 4.852 50 1 JJGF COc1ccc(Br)cc1[C@]1(CBr)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963632017 DSZPLGDEEKCUIX-YUNKPMOVSA-N 485.216 4.648 50 1 JJGF N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C(\S)Nc1ccccc1 49046678 AUZLXLWOCJMXHU-WCVIKNPNSA-N 492.560 4.527 50 1 JJGF CC(C)CN(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1C#Cc1ccc(C(F)(F)F)cc1 58591462 UZKRNYCQGXGXKZ-UHFFFAOYSA-N 459.472 4.669 50 1 JJGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/N=C/c3ccc(C(F)(F)F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308376 DTQBTZDTFLWLNN-ZFPKPTCXSA-N 452.473 4.733 50 1 JJGF COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587319700 CQSGMSWZPFIRSI-ZJSXRUAMSA-N 485.305 4.967 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 587685636 RCXLEWSNNMMPMP-GTJPDFRWSA-N 451.767 4.514 50 1 JJGF CC(=O)c1cnc2n(c1=O)[C@@H]1[C@H](O2)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 195355839 HPAFSTXSEJMIPZ-RMJJICAUSA-N 496.753 4.517 50 1 JJGF N#C/C(=C/c1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587187070 CPUHYDPAKSWCFU-AQTBWJFISA-N 487.502 4.550 50 1 JJGF CC(=O)NCCc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587333865 NPOXBWHNKCERMN-AOYPEHQESA-N 485.914 4.842 50 1 JJGF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587413748 JKYIBXPJXCBZRP-XAILHKCVSA-N 452.142 4.884 50 1 JJGF CCOC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587673494 NHRXOUBMRLHRRA-MPBGBICISA-N 485.191 4.938 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587680748 IWZUSFMEFMMPFZ-DQNAHFDYSA-N 492.227 4.722 50 1 JJGF CCOP(=O)(OCC)[C@@H](NNC(=O)c1nn(C)c2ccccc12)c1ccc(C(F)(F)F)cc1 73258574 IJROZOHSEJEFNL-HXUWFJFHSA-N 484.415 4.791 50 1 JJGF COc1cc(Br)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587371424 DONGQBYCUXGDET-IBGZPJMESA-N 485.172 4.613 50 1 JJGF CCCc1c(O)ccc2c1O[C@](/C(C#N)=C/N(C)C)(c1ccccc1Br)CC2=O 587455710 FGPOPMHXTMPLPI-WOOPDLCSSA-N 455.352 4.937 50 1 JJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 587686393 UVDIRKNLMLAKFT-XUSGNXJCSA-N 451.767 4.880 50 1 JJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587687102 FJVZZTAABXSCKV-WVDJIFEKSA-N 457.771 4.726 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@@H](Br)CC(=O)O)N1 587847579 LNGAOGKMDHGXBM-ZPQPFTAQSA-N 477.193 4.666 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 587853612 AJXWOOXIEVYCQV-OVWNDWIMSA-N 455.780 4.649 50 1 JJGF COc1ccccc1[C@H]1C(C#N)=C(N)N(c2cc(OC)c(OC)c(OC)c2)C2=C1C(=O)CC(C)(C)C2 45321146 ZNOPIMRVQVLPIV-DEOSSOPVSA-N 489.572 4.662 50 1 JJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 587372912 NWXIMMCRJXQVKA-IYJVBRSBSA-N 460.917 4.596 50 1 JJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 587673017 JNONSIPXDROKBT-WLRWDXFRSA-N 470.180 4.719 50 1 JJGF COc1cccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587724873 MCKXGGFTMVJWLE-MLCYQJTMSA-N 461.144 4.909 50 1 JJGF COc1cc(OC)c2c(c1)C(=O)C(O)=C(CCc1ccc(N(CCCl)CCCl)cc1)C2=O 1857645185 PSAOOVHALSIABP-UHFFFAOYSA-N 478.372 4.812 50 1 JJGF CN1CCN([C@@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2Cl)CC1 138616539 XZVJAUMCDJYQOX-GOSISDBHSA-N 494.867 4.809 50 1 JJGF COc1ccc([C@@H](CCC(=O)O)O[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 194960562 ARXRTBLAHCPUGY-IISNYHHCSA-N 476.566 4.826 50 1 JJGF C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325426 FMJRWFLTMWHHOH-UKILVPOCSA-N 483.879 4.712 50 1 JJGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587542570 HMQJKIJZUQDBMJ-BSTGMLCMSA-N 455.894 4.608 50 1 JJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 587686168 SLJNAWLGEDKYTO-DGIBIBHMSA-N 464.132 4.928 50 1 JJGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45319375 XBXSZFLIXNACOU-QHCPKHFHSA-N 459.546 4.653 50 1 JJGF O=C(CSc1nc2ccccc2o1)N/N=C/c1c[nH]nc1-c1cc(Cl)sc1Cl 95590808 CETAXEOHFZIOMN-CGOBSMCZSA-N 452.348 4.829 50 1 JJGF CN(C)C(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587370764 BCUOFOITNLHRLN-NFBKMPQASA-N 459.926 4.788 50 1 JJGF CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587541474 BWPHNOVYMGSOHE-ZEQKJWHPSA-N 463.917 4.787 50 1 JJGF