smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43285351 IPDMCNITVPFWIY-OMIWHRJJSA-N 438.362 4.824 50 1 IJGF CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587838005 LZPWQVHGPQKFBQ-WHEQGISXSA-N 430.317 4.965 50 1 IJGF O=C(CCl)Nc1ccc(-c2nc3ccccc3s2)cc1I 27305917 IUFQXRBKEMOZCO-UHFFFAOYSA-N 428.682 4.745 50 1 IJGF Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324296 XOTUHLCMYXLRMK-UNMCSNQZSA-N 442.284 4.763 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(Cl)c2)N1 587674259 VNGYDKHOGWNDHY-ABKXIKBNSA-N 448.561 4.809 50 1 IJGF CC[C@H](Br)[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587670007 HMWRPLQZRAFSBM-SDDDUWNISA-N 442.170 4.935 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccnc(Cl)c1 587539386 WCQFLXRDNMINOE-PXNSSMCTSA-N 446.684 4.693 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@H]2Br 587687229 YJDJAKWHRYVJKA-QEIWDELWSA-N 425.139 4.686 50 1 IJGF C[C@@]1(C=CBr)O[C@H]([C@@](C)(Br)CCl)C[C@@H]1Br 2356677737 WZBGMRRSJBIOSX-XKNYDFJKSA-N 425.386 4.599 50 1 IJGF CCO[C@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)CC[C@]2(OO3)[C@H]1C 64447305 VSTUZZJTJODQFN-SVIFRFDISA-N 432.557 4.503 50 1 IJGF COc1cc2c3c(c1)O[C@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O 587424637 QNYKNDUUKZXMAR-LCMPSIMXSA-N 441.243 4.625 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587683366 GQLKCPOLNVCOSH-YBTHPKLGSA-N 437.740 4.802 50 1 IJGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587686332 CQVBFYPUNOLNPV-JEOXALJRSA-N 428.729 4.622 50 1 IJGF CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccnc(CCl)n1 587940923 QJCYBUFSDUBGGC-UHFFFAOYSA-N 448.748 4.931 50 1 IJGF CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](Cl)C[C@]4(O)C3=CC[C@@H]12 72317845 UEAJTOPLUHGVAY-VXYJYLKESA-N 442.983 5.000 50 1 IJGF CC(C)(F)[C@@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 587087144 MDAVYDCCEGITBQ-ZETCQYMHSA-N 429.913 4.667 50 1 IJGF CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)NCCc2cc3cccc(OC)c3nc21 963054581 IIBGBLLKFNOUEV-NFBKMPQASA-N 441.369 4.815 50 1 IJGF CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)c1 49680258 UNGALHHMDYBABX-QHCPKHFHSA-N 432.561 4.896 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 587323625 SDVDBJKJYAFWIZ-RBBKRZOGSA-N 443.268 4.886 50 1 IJGF CN(C=O)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328501 USNAHROKFVEMHP-UPVQGACJSA-N 439.870 4.617 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)O2 587372559 JRZKUAGLZLCKGT-KNQAVFIVSA-N 445.357 4.816 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(F)c1 587571746 PIFDUNJBEAVKCM-GHTZIAJQSA-N 447.231 4.922 50 1 IJGF O=C([C@@H]1Cc2ccccc2[C@@](CBr)(c2cccc(Cl)c2)N1)C(F)(F)F 962730117 LTVMTSLPXAFZNK-DOTOQJQBSA-N 432.667 4.624 50 1 IJGF COc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587689453 SNEKNAYLRAEEMU-QQKBFRNYSA-N 428.729 4.708 50 1 IJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962951672 OTKRWBRKQUTFCG-GRWTVWFQSA-N 441.369 4.662 50 1 IJGF COC(=O)Cc1ccc(S[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 1857556824 DAZIZFNYPAHFTE-SDIPRESRSA-N 448.581 4.702 50 1 IJGF O=C(O)c1ccc(N(C(=O)CCCCCBr)c2cccc(C(=O)O)c2)cc1 35050321 DDLRPMRXLBXRSC-UHFFFAOYSA-N 434.286 4.703 50 1 IJGF C[C@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328608 VGORGEWOJXQQIB-LADGPHEKSA-N 439.870 4.983 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)CCCl)[C@@H](C2)C3=O 587420227 HBMNLXFXJNIGMV-RXFWQSSRSA-N 447.918 4.954 50 1 IJGF Cc1cc(Cl)cc2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 587624004 VPLOEBCOGYZADE-UHFFFAOYSA-N 431.717 4.863 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2)N1 587736185 ZFMRPKLWDURDMM-QGHHPUGFSA-N 431.118 4.900 50 1 IJGF CC1(C)O[C@@](C)([C@@H]2CC[C@](C)(Br)[C@@H](Cl)C2)[C@@H](O)C[C@@H]1Br 49778054 OVZBIWJSECOXAT-YLHZTVIJSA-N 432.624 4.630 50 1 IJGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](C(=O)O)N2 169299474 HFXTYQITEZRVMW-XCZAAACNSA-N 446.912 4.548 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O 587421648 QKIDHYAOARNRPH-UGSOOPFHSA-N 445.206 4.891 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587687309 FYVYLAQABTUSHP-CILWKZBWSA-N 447.776 4.566 50 1 IJGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccccc4N[C@]32C[C@@H]1Cl 2356500213 RIOWJYUGPBYKPY-RAJNIJHNSA-N 447.764 4.570 50 1 IJGF Cc1oc(C(=O)O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329270 XPIGJFFKXMXXHY-DENIHFKCSA-N 430.815 4.624 50 1 IJGF CCn1c(C)cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1C 963179407 KLSDEQKRPRYBEI-KXBFYZLASA-N 449.300 4.878 50 1 IJGF CC[C@H](C)[C@H](C(=O)N1CCC[C@@H]1c1nccs1)N(C)C(=O)C[C@@H](C)C(Cl)Cl 2356726458 VZGQPEAFXKCCOT-DSJMHWKBSA-N 434.433 4.510 50 1 IJGF C[C@](Br)(CCl)[C@@H]1C[C@@H](Br)[C@@](C)(C=CBr)O1 2356677736 WZBGMRRSJBIOSX-XFWSIPNHSA-N 425.386 4.599 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)cc1 587538956 SMZVLRYGOXENOJ-KNQAVFIVSA-N 441.277 4.869 50 1 IJGF Cn1c(O)cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587543077 ISGKVDSEPOWYDK-URXFXBBRSA-N 435.863 4.685 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1 587571333 NACMXOWRTRVVED-RXVVDRJESA-N 429.241 4.783 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687790 IABAWSPDDAGTPI-PVUDRZGPSA-N 439.756 4.952 50 1 IJGF CCN(CC)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587413389 NUUFRGPYUATOMN-GCJKJVERSA-N 430.342 4.579 50 1 IJGF COc1cc(C(=O)N/N=C/c2cccc(Oc3cccc(C(F)(F)F)c3)c2)ccc1O 26837410 IEQSQFNTSXRZPH-LGJNPRDNSA-N 430.382 4.976 50 1 IJGF COc1cc(/C=N/NC(=O)CSc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 72111150 DUVOCEGEGGHSGE-MFKUBSTISA-N 436.533 4.622 50 1 IJGF COC(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532276 PFFZGYPXNFBVPJ-HXUWFJFHSA-N 435.339 4.669 50 1 IJGF C[C@H](Br)[C@@]1(C2CCCCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962644452 RCQWWEXTUKPJGS-WADWEFIESA-N 445.401 4.892 50 1 IJGF N#Cc1ccccc1COc1cccc(/C=N/NC(=O)c2cc3c(cn2)[nH]c2ccccc23)c1 1857647444 CANWNOQRHSPYIU-FJEPWZHXSA-N 445.482 4.931 50 1 IJGF CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 103222902 CTITUDILXYNHNP-ZMESVYRVSA-N 439.518 4.685 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@@H](C)N3C(C)=O)CC2=O 587462323 YEYQCEQDBPPOIA-JBEBIEQOSA-N 427.928 4.742 50 1 IJGF COc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587689451 SNEKNAYLRAEEMU-BFKGZMGPSA-N 428.729 4.708 50 1 IJGF COc1ccc([C@@]2(CCCCCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962968676 DBLMKKAZFCBOTG-LAUBAEHRSA-N 444.305 4.878 50 1 IJGF CN(C=O)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328493 USNAHROKFVEMHP-ISKFKSNPSA-N 439.870 4.617 50 1 IJGF O=C(NNc1ncnc2sc3c(c12)CCCC3)Nc1cc(C(F)(F)F)ccc1F 1857772528 RXWUBYZZTPATAM-UHFFFAOYSA-N 425.411 4.877 50 1 IJGF C[C@@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328613 VGORGEWOJXQQIB-UPVQGACJSA-N 439.870 4.983 50 1 IJGF COc1ccc(OC)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499700 OENNGMNHTTWZLJ-JOCHJYFZSA-N 431.326 4.838 50 1 IJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587681883 LOCMVLJLSRZGKL-SBKAZYGRSA-N 435.724 4.921 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 587686258 CCTBNNULDYOQRT-YBTHPKLGSA-N 447.739 4.829 50 1 IJGF Cc1cc2c(cc1F)[C@](CBr)(c1ncc(C(F)(F)F)cc1Cl)NCC2 962149640 XEMXXBJASDKPCG-MRXNPFEDSA-N 437.662 4.986 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)cc1CBr 587893814 FDADQMWPGKFFJT-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF COc1ccc(OC)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587541658 COWZIELOMCDWLA-NZQKXSOJSA-N 426.852 4.505 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O 587422624 PIZFWPZHIINCFX-UGSOOPFHSA-N 443.215 4.632 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587684076 KFYQFGZDEQEKEK-AYLIAGHASA-N 427.745 4.752 50 1 IJGF CCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687056 YPDXTCQYCCFNEJ-YUNKPMOVSA-N 439.756 4.953 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1nnc(-c2ccccc2)o1 587546035 UTBFEQOWUHGMQH-FDDCHVKYSA-N 434.835 4.538 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)cc2)N1 587674304 VXULHHPGHOONKH-BBATYDOGSA-N 438.138 4.633 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(-c2ccc(CCl)cc2)c1 587885205 BZYOPQPIAHEMLA-UHFFFAOYSA-N 432.738 4.628 50 1 IJGF CSc1nc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@H]1Cl)N2 102810470 RSLNDYJKMKNRDV-UKRRQHHQSA-N 446.960 4.649 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)ccc1OC)CC2=O 587456237 LFYRDKRKCSMLBE-OAQYLSRUSA-N 435.314 4.618 50 1 IJGF FC(F)(F)c1cccc2c1[C@@](CBr)(C[C@H]1CCCO1)NCC21CCOCC1 962959249 SKUBEURWXBLQEZ-KUHUBIRLSA-N 448.323 4.516 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1Br)O2 587370345 AJRDKSLDZZDABS-KRWDZBQOSA-N 425.120 4.595 50 1 IJGF COc1cc2c3c(c1)O[C@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)[C@@H](C2)C3=O 587417431 MMSWHAFQZQQIBU-HJPURHCSSA-N 433.331 4.924 50 1 IJGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 103204131 BVGOGMYYRIODOO-RPPGKUMJSA-N 425.838 4.653 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCBr)N1 587673706 PSIWFJQLUKXQNL-ZMZPIMSZSA-N 443.154 4.986 50 1 IJGF COc1ccc2c(CSSCc3cc(=O)oc4cc(OC)ccc34)cc(=O)oc2c1 82155685 WVOGCEXEWNPREA-UHFFFAOYSA-N 442.514 4.998 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417734 PHVGUUUZARMTTP-ICBNKOFZSA-N 427.928 4.950 50 1 IJGF COc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539451 WKFUSCIPHNOIPL-SIKLNZKXSA-N 441.277 4.653 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C#N)c2)N1 587674417 WOECCLAGWWCSGN-ADLMAVQZSA-N 438.138 4.633 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724640 KQNGVCQXKRQAAY-APBUJDDRSA-N 443.719 4.702 50 1 IJGF Cc1csc([C@H](C#N)[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587853838 RYWCXCJQWGAMDL-SIXIKZCJSA-N 428.758 4.629 50 1 IJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)N(CC)CC)=C(C#N)[C@H]1c1ccccc1 102692370 VKAZNDLKTITUOM-DVSFFSCISA-N 425.554 4.554 50 1 IJGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545936 TVWNNQSGSFXUEZ-RDPSFJRHSA-N 439.895 4.890 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)cc2)N1 587672678 HBJDTWWAZZJSJX-BBATYDOGSA-N 443.154 4.986 50 1 IJGF Cc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538263 OLJXYMYMJBIVPR-KNQAVFIVSA-N 425.278 4.953 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587687316 FYVYLAQABTUSHP-GEDNVKPRSA-N 447.776 4.566 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587688553 MHLZCVHUQZDTFX-UTLVKMTRSA-N 447.776 4.566 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 587689222 QZBZDACGSVZGCT-HTGLOVNISA-N 440.740 4.620 50 1 IJGF CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587838006 LZPWQVHGPQKFBQ-XMHCIUCPSA-N 430.317 4.965 50 1 IJGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl 1857586468 AKIQZJQTKFUHRT-ZIAGYGMSSA-N 441.727 4.831 50 1 IJGF Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587697123 LWWOWUAXBDBKEX-PRWKNARSSA-N 436.708 4.803 50 1 IJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ccc(CC(=O)O)s1 963194595 NQQLPSUHUKBIFJ-XUZZJYLKSA-N 436.964 4.981 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 587686854 XTLRXXHXVUTRCZ-NSPYISDASA-N 425.729 4.563 50 1 IJGF Cc1cc([C@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cccc(F)c1 963028284 OVYIINGHNLOWEN-SSOJOUAXSA-N 437.946 4.769 50 1 IJGF Cc1ccc(-c2cn([C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@@H]3C)[C@]64OO5)nn2)cc1 102083974 UHOZSDXXRUVYPX-BXFSTZTPSA-N 425.529 4.634 50 1 IJGF O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2ccc(F)c(Cl)c12 587628271 QIURRZFMBVIWBU-UHFFFAOYSA-N 435.680 4.694 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCl)N1 587684574 LCSGVUNXDKHCCV-ODXCJYRJSA-N 439.756 4.953 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)OCCCO3)CC2=O 587456308 MXALRGCIOVCMLN-JOCHJYFZSA-N 447.325 4.762 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(OC(F)(F)F)c1F)O2 587382504 MITJRLGWUQJARF-KRWDZBQOSA-N 448.210 4.871 50 1 IJGF CCCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCCC1 13675547 DJYYXGWVMNJOFS-FQEVSTJZSA-N 426.948 4.969 50 1 IJGF COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1O 72108672 BEAVAXVGDSRQHN-HEWZJLJBSA-N 438.867 4.845 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 587681735 AHJSQZHKXRMKEH-YPMLDQLKSA-N 426.713 4.817 50 1 IJGF N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n(C[C@H](O)CCl)c1=O 96935451 FLSXYEVIODCLCZ-QGZVFWFLSA-N 433.722 4.960 50 1 IJGF N[C@H](CCl)NC(=O)CCCCCC#CC=CCCCCC#CC=CBr 2356830006 JCXKSPCUAUVJIF-IBGZPJMESA-N 427.814 4.609 50 1 IJGF COC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675429 ZMUFGWSRGANJQR-OAQYLSRUSA-N 434.927 4.853 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 587683312 GINKOWAYPFBTLT-XTZNXHDOSA-N 426.713 4.817 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587689463 SPTWNQGELKORQL-HTGLOVNISA-N 439.756 4.952 50 1 IJGF COc1cc2c(cc1OC)[C@@](C)(c1oc3ccccc3c1NC(=O)CCl)N(C)[C@H](C)C2 962628296 OWTVDMCKLAQPLS-SHACYNPGSA-N 442.943 4.767 50 1 IJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@H](C)C[C@@H](C)CC)CC[C@H]2C(=O)O 2356642819 VYQOUCVFZUSCOJ-ZZKLAQPLSA-N 444.568 4.688 50 1 IJGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545935 TVWNNQSGSFXUEZ-HYBUGGRVSA-N 439.895 4.890 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2)N1 587736184 ZFMRPKLWDURDMM-DYZYQPBXSA-N 431.118 4.900 50 1 IJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccco1 103542124 SMOFYORTPNIDOO-DVSFFSCISA-N 441.553 4.727 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C#N)c2)N1 587674420 WOECCLAGWWCSGN-ZMZPIMSZSA-N 438.138 4.633 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684058 KBACIZQVYGVNFD-WLRWDXFRSA-N 425.729 4.563 50 1 IJGF Cc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2cccc(Cl)c2)C(=O)c2ccncc2)cc1 653747941 HHLOHQQBKKQGDQ-RWPZCVJISA-N 443.894 4.750 50 1 IJGF Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 15987893 ZNACHRTUFLHBPR-YUMHPJSZSA-N 434.503 4.796 50 1 IJGF Cc1nc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587324334 XWZGFTVGWHVYTL-NQIIRXRSSA-N 446.272 4.785 50 1 IJGF CC(=O)NCCc1ccc([C@@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)cc1F 962671570 TWTYWLHAGDXBIW-AREMUKBSSA-N 436.958 4.799 50 1 IJGF CCOC(=O)NNc1nc(-c2ccccc2)nc2c1[C@H]1CCCN1C(=O)N2c1ccccc1 45260573 BDCVYHAKQHVLCG-GOSISDBHSA-N 444.495 4.625 50 1 IJGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587501157 WGLJBCHUDMHGAZ-QFIPXVFZSA-N 431.326 4.838 50 1 IJGF COc1cccc(Br)c1[C@]1(CBr)NCCc2ccc(F)c(C)c21 962304370 ZVQYYEXSIIZXIS-GOSISDBHSA-N 443.154 4.689 50 1 IJGF C[C@H]1Oc2ccc(Br)cc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21 1772570394 GPEKPXCDASALPC-XBJPQDNYSA-N 438.321 4.595 50 1 IJGF COc1cc2c3c(c1)OC1([C@@H](Br)CCCCC[C@@H]1Br)[C@@H](C2)C3=O 587411262 CPRFURMZSVSHOP-QEJZJMRPSA-N 444.163 4.673 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)s1)[C@@H](C2)C3=O 587452323 OHQMXAIQVXXCRR-MGPLVRAMSA-N 444.144 4.557 50 1 IJGF Cc1[nH]nc2c1[C@@](c1cc(N3CCCCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772627012 YWARUKRRGCZZBJ-JOCHJYFZSA-N 445.489 4.756 50 1 IJGF COc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 98081862 HVJQSAMZXBBXKT-HSZRJFAPSA-N 439.471 4.850 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)c(F)c(F)c(F)c1F)O2 587382139 ONOXGHVVMLDYFU-KRWDZBQOSA-N 436.174 4.528 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)s1)[C@@H](C2)C3=O 587452701 OHQMXAIQVXXCRR-QFYYESIMSA-N 444.144 4.557 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1C(=O)OCC)CC2=O 587456094 KNIZWYFDIVVUTM-JOCHJYFZSA-N 447.325 4.777 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541669 CTUXDXAFEYOOML-AUSIDOKSSA-N 425.868 4.636 50 1 IJGF COc1cc(C(Br)Br)c2c(=O)c3ccccc3oc2c1OC 1857746690 FNNIOCXJKMATPA-UHFFFAOYSA-N 428.076 4.752 50 1 IJGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@@]1([C@@H]1C(=O)c2cccc4cccc1c24)CC3 1857763840 YLCNLYRZWXCCKN-FIPFOOKPSA-N 429.479 4.702 50 1 IJGF C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C 299835078 KGOGQXJLQSHPIP-OUVLGHIKSA-N 430.585 4.858 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 587686253 CCTBNNULDYOQRT-GIPWTMENSA-N 447.739 4.829 50 1 IJGF C[C@@H]1[C@@H](n2cc(-c3cc(F)cc(F)c3)nn2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 102127463 LOFWJVGOAIKYHU-JUHVLQICSA-N 447.482 4.604 50 1 IJGF O=C(O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587378379 UXJVAEIHEQTRTH-NQIIRXRSSA-N 432.856 4.784 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(F)c1 587557657 OFUDBKUQLYFRMU-WIYYLYMNSA-N 447.231 4.922 50 1 IJGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCCCl)(c2cccc(F)c2)N1 962711594 MNWIUJAAELYMFD-MJGOQNOKSA-N 433.804 4.845 50 1 IJGF CC(C=CC=O)=CC=CC(C)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(C)C(=O)O 2356442112 OOLFHQKWNFLQEI-JXSQGHHDSA-N 440.580 4.818 50 1 IJGF COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166810599 CXIIMWBTYWXFSS-GJZGRUSLSA-N 429.822 4.683 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 587687801 IBNMHVGIJQUWAQ-HTGLOVNISA-N 440.740 4.620 50 1 IJGF CC[C@@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587371052 DATXYNJUWOQKAF-CTNGQTDRSA-N 431.330 4.570 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)O2 587372561 JRZKUAGLZLCKGT-UGKGYDQZSA-N 445.357 4.816 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2F)N1 587725972 HBECEJNADWLYTA-BMLIUANNSA-N 431.118 4.900 50 1 IJGF COC(C)(C)[C@H](Br)c1nc2cc(Br)c(Br)cc2[nH]1 586971447 RXHRXTNRRWCDJZ-SNVBAGLBSA-N 440.961 4.949 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)C(=O)OCC)CC2=O 587451939 LQXGVRARVPVBKS-RBBKRZOGSA-N 447.325 4.532 50 1 IJGF Cc1ccc([S@@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)cc1 1857761431 YIHQELRERWHSBK-ROTAYESASA-N 431.492 4.513 50 1 IJGF CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)[C@@H]1OOC(C)(C)[C@@H]1O2 138784153 SQBZDGYHAWUFPT-NJDYNZTKSA-N 436.460 4.937 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 587684573 LCSGVUNXDKHCCV-MPBGBICISA-N 439.756 4.953 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2O)N1 587730048 IFFPBMFXBIZYIA-HUTHGQBESA-N 447.117 4.606 50 1 IJGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2Cl)s1 42966380 NJOIWRPUSFPCAL-MSOLQXFVSA-N 444.347 4.593 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684006 IXTJKXCKWNFLGN-WLRWDXFRSA-N 436.712 4.655 50 1 IJGF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1OOCC=C(C)C 2356340033 FYMHPHPOYQJWDS-QXVOXHNYSA-N 440.492 4.776 50 1 IJGF Cc1[nH]nc2c1[C@](c1cc(N3CCCCC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772627013 YWARUKRRGCZZBJ-QFIPXVFZSA-N 445.489 4.756 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 587700777 MGUQMOBYBVSAKU-HUOXHTIJSA-N 448.767 4.988 50 1 IJGF N#Cc1cccc(COc2cccc(/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)c2)c1 1857637626 JKMJIWXSMIKWMP-FJEPWZHXSA-N 445.482 4.931 50 1 IJGF COc1ccc(N/N=C2/C=CC(=O)C(P(=O)(c3ccccc3)c3ccccc3)=C2)cc1 103980558 OUMUDGYUAQFECH-OOAXWGSJSA-N 428.428 4.500 50 3 IJGF COc1ccc(/C=N\NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1C 33332329 XFBPQDQSZISDJW-GATIEOLUSA-N 448.470 4.915 50 1 IJGF CC(=NNC(=O)c1ccc(Cl)cc1)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356825032 HBAYITLNOZVNCJ-UHFFFAOYSA-N 431.879 4.504 50 1 IJGF CCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682489 COLDZPKMXUJIEX-FKIZINRSSA-N 439.756 4.953 50 1 IJGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587685715 AYNYDFMDVHSMPN-JEOXALJRSA-N 428.729 4.622 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689465 SPTWNQGELKORQL-XAAFQQQXSA-N 439.756 4.952 50 1 IJGF COc1ccc([C@@]2(CCCCCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962968674 DBLMKKAZFCBOTG-DYESRHJHSA-N 444.305 4.878 50 1 IJGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](Br)CC2 13761350 QQDXSEMWSXBMSC-AWEZNQCLSA-N 437.355 4.844 50 1 IJGF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O 169371529 HSHMYUQVBBSRDN-RWRYZHGASA-N 444.236 4.924 50 1 IJGF CCCCCCC[C@H]1O[C@@H]1[C@H](OC(=O)CCCCCBr)C(=O)NC(C)(C)C 1772626977 WMTKNWVDCHUBKF-NEWSRXKRSA-N 448.442 4.896 50 1 IJGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1ccccc1 95566584 UOJYEYOCGKRMRY-VWLOTQADSA-N 437.499 4.620 50 3 IJGF COc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439091 BGYAXBYYDSKEBD-JFLMPSFJSA-N 448.519 4.876 50 1 IJGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)o1 1772604968 PMTYXDYTTDQYMR-AFUMVMLFSA-N 432.867 4.830 50 1 IJGF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C(=O)CCl)n2)ccc1O 103287003 XTZQIRPPTLVRGD-FCXRPNKRSA-N 440.883 4.531 50 1 IJGF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)C(=O)NNc1ccccc1 299862333 JMHRNWULPJIZRV-UHFFFAOYSA-N 449.894 4.832 50 1 IJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(C(F)(F)F)cc1 95809756 XKQUGUBNWSFTDK-CVKSISIWSA-N 435.446 4.840 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106459 YLIZNYDZBFXZQT-PTBRYTJWSA-N 434.504 4.623 50 1 IJGF COc1cc(/C=N\NC(=O)C2=C(Cl)c3cc(C)c(C)cc3CCC2)cc(OC)c1OC 299826544 NPPMJRNQOOIGQJ-ZMFRSBBQSA-N 442.943 4.766 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccnc2)[C@H]1c1ccc(F)cc1 587323633 SFYWODVLRYYUSS-PZJWPPBQSA-N 428.257 4.576 50 1 IJGF Oc1ccc([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962637931 PNVFMHSRVLIZTD-RCZVLFRGSA-N 449.392 4.778 50 1 IJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccco1 17526822 BBSHZPYAXKTUPY-ZEZKVYLTSA-N 435.505 4.917 50 1 IJGF CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1 27091048 SBFOZOYNAXMXCQ-DLENHJPASA-N 449.982 4.745 50 1 IJGF CC(C)C[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 102193950 DKYWDJRYWSGSCA-XLCMYCQHSA-N 448.644 4.705 50 1 IJGF COc1ccc(C)cc1[C@]1(CBr)c2cccc(Br)c2CCN1C 963290068 SPFCNHREAXVMOP-IBGZPJMESA-N 439.191 4.893 50 1 IJGF C[C@@](O)(CCc1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970252 MBCNDSMLFINWKN-GOSISDBHSA-N 439.415 4.670 50 1 IJGF O=C(CNc1cccc(OCc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl 201288430 ZXYUSNLUAQYJFK-NSKAYECMSA-N 429.307 4.530 50 1 IJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@H]2[C@@H]1C(=O)[C@H]1C[C@@H](Br)C3(OCCO3)[C@H]12 221740088 VNTNHARVKKWVGM-NEMWNAMBSA-N 445.470 4.519 50 1 IJGF CCCCOc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587414572 WHZGLPBCCGOOPR-GCJKJVERSA-N 431.326 4.912 50 1 IJGF COc1cc([C@]2(CBr)NCCc3ccc(F)c(C)c32)ccc1OC(F)F 962142031 DHXWAADGJYFHGB-IBGZPJMESA-N 430.264 4.528 50 1 IJGF CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@H](O)C[C@@H]1[C@]2(C)CC[C@@H]2C[C@]12C 2356680761 TVPGLKMZPNMCDZ-HVLLICFESA-N 425.407 4.863 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587419601 HEQKQCZINNKUBB-KSSFIOAISA-N 427.216 4.752 50 1 IJGF CCc1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O 587547222 ZJXRBCOBPLNYRW-RDPSFJRHSA-N 439.895 4.890 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O 587461181 QINKLQFIXXCXMX-QHCPKHFHSA-N 427.884 4.712 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCl)N1 587685485 QWZPOTXTEWCAKC-ODXCJYRJSA-N 439.756 4.953 50 1 IJGF CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587838004 LZPWQVHGPQKFBQ-MCMMXHMISA-N 430.317 4.965 50 1 IJGF C[C@]1(c2ccc(O)c(CCCl)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186370 SZEZKCFOWSWIRS-QFBILLFUSA-N 448.268 4.708 50 1 IJGF O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1ccccc1 95719681 SWPGGPQCAMUQDY-UHFFFAOYSA-N 427.136 4.502 50 1 IJGF CCO[C@@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)CC[C@]2(OO3)[C@H]1C 64448410 VSTUZZJTJODQFN-WVZBVPNGSA-N 432.557 4.503 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC[C@H]2Br 587541606 CLNMONZBHICKDC-ZRCGQRJVSA-N 437.289 4.959 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccc(F)cc12)c1ccccc1 36311284 YTEDMJIOHXFWJO-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(I)cnc2[nH]1 586973576 LTSHOYJDLTWHSY-SECBINFHSA-N 442.098 4.609 50 1 IJGF CC(NCCSSCCNC(C)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C 2356475214 SZFRXFHQDNKSIE-AJAKECSLSA-N 448.698 4.585 50 1 IJGF N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53229537 HFMNTLQZOFMARH-NNWZRIAHSA-N 439.563 4.800 50 1 IJGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546918 YWNGHBNQDXXGAF-KLGSUFROSA-N 438.863 4.504 50 1 IJGF CCCCCOc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Br 586908020 PYXDLPAUCALCMQ-UHFFFAOYSA-N 429.270 4.872 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O 587414388 MBLVISJIAJYLLO-VOJFVSQTSA-N 443.124 4.622 50 1 IJGF O=C1OCCN1c1ccc([C@@]2(CCl)c3ccsc3CCN2Cc2cccnc2)cc1 962999369 QXHFECPPNLLGRH-QHCPKHFHSA-N 439.968 4.640 50 1 IJGF N#C/C(C(=O)Nc1ccc(OC(F)(F)F)cc1)=C(/O)c1ccc(OC(F)(F)F)cc1 34493731 WUHYFUHJPKCVMW-PFONDFGASA-N 432.276 4.915 50 1 IJGF CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 49113104 LJWJTKBSXQSQKT-UNMCWVBBSA-N 433.552 4.718 50 1 IJGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933848 HKQBZGFMIGOZFK-RACKXPAOSA-N 435.568 4.583 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195521696 JIYDMMUJCNTFKM-PYDLPNSGSA-N 448.644 4.849 50 1 IJGF O=C1CCc2cc([C@@]3(CCl)c4ccsc4CCN3Cc3cccnc3)c(F)cc2N1 963019942 ZIFATNNLDYTCKX-HSZRJFAPSA-N 441.959 4.708 50 1 IJGF COC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC 103201023 PZRZGENLQMCLLI-GROYHEBESA-N 426.475 4.589 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(COc2ccccc2)N1 587672710 HLMBSOTZMNOUHD-KZULUSFZSA-N 443.154 4.792 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)cc1OC)CC2=O 587455401 BLXCZLJFZIGMKL-NRFANRHFSA-N 435.314 4.618 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)CC2=O 587459057 MOJKSBZBTBQTLJ-MYYSRTQBSA-N 429.944 4.511 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544453 NUNGEWQEQKCNCX-QRUVEDRTSA-N 437.879 4.835 50 1 IJGF O=C(/C=C/c1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1ccc(Br)cc1 1772646653 WMTPPABQNLQLPW-FGCWKTIPSA-N 434.293 4.504 50 1 IJGF O=C1C[C@@](CBr)([C@@H]2COc3ccccc3O2)Oc2c1ccc1c2CCCC1 587500107 QKZBSNDLHLVRAR-RBBKRZOGSA-N 429.310 4.504 50 1 IJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ccc(CC(=O)O)s1 963194591 NQQLPSUHUKBIFJ-URXFXBBRSA-N 436.964 4.981 50 1 IJGF Cc1ccc([C@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570366 INPMDYGEHVZXAB-SQIGGBMESA-N 426.472 4.527 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 58609580 FRINQRNKFUDCAA-GHKRPEIHSA-N 448.644 4.705 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O 587417257 KNMBBKHTYBOZSX-PLHVGKBTSA-N 447.918 4.952 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 587690151 ZOKVRVJQLACAOC-JPJOULJCSA-N 425.729 4.584 50 1 IJGF CCOP(=O)(C[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC 587852308 ZTSDNWHLEZFORG-MEDUHNTESA-N 442.693 4.823 50 1 IJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@H]1O[C@H]1C5(C)C 2356480688 MKRVHEXNGFBKJC-QMIMNKRLSA-N 438.999 4.964 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587569557 RBGHBRQBEJSYEI-NZQKXSOJSA-N 441.842 4.586 50 1 IJGF Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587757475 VAMNAEYWBNZPGG-AXUSYVAISA-N 428.349 4.644 50 1 IJGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1OC 1857590347 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432.557 4.839 50 1 IJGF CN(C)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(O)cc3)n2)cc1 45254493 KNBWOMPSFCMASM-LQKURTRISA-N 449.514 4.919 50 1 IJGF COc1ccc2nc(Oc3ccccc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103187808 XIUCUFCHVJAFCA-QHCPKHFHSA-N 439.471 4.850 50 1 IJGF CS(=O)(=O)/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586925383 HPLMOEBQCQMQAY-IHWYPQMZSA-N 427.214 4.998 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 587682603 DDLNPUNKEQKHMJ-ODXCJYRJSA-N 440.740 4.766 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCCCC4)n3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49670184 HJKVNWVGJMRCTF-JSSMPDEPSA-N 444.616 4.934 50 1 IJGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1ccccc1 299824870 IFCPDLMETNMGNG-UHFFFAOYSA-N 425.532 4.777 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 587683314 GINKOWAYPFBTLT-YPMLDQLKSA-N 426.713 4.817 50 1 IJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 136551845 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CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1ccc([N+](=O)[O-])c(OC)c1 963237675 YQVFOVYKXBHWMC-BTYIYWSLSA-N 433.346 4.899 50 1 IJGF Cc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@@](=O)c2ccc(C)cc2)cc1 1857755247 RBARXZJJNDLOFF-UGDMGKLASA-N 427.529 4.683 50 1 IJGF Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2ccc(Br)o2)cc1 15987870 LZSQIAUJZAMIJA-CFRMEGHHSA-N 449.308 4.967 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(C(F)(F)F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43910585 IIVIMLMUCQPYLB-MKOSWTIGSA-N 434.373 4.704 50 1 IJGF CC(C)(F)[C@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 587087135 MDAVYDCCEGITBQ-SSDOTTSWSA-N 429.913 4.667 50 1 IJGF Cc1[nH]c2ccccc2c1C1=C(C#N)[C@@]2(C(=O)c3cccc4cccc2c34)C(C#N)=C(N)O1 53229865 YYRVCWPMAANQBR-HHHXNRCGSA-N 428.451 4.723 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 587686859 XTZOURLMAIFKQD-GFCCVEGCSA-N 445.804 4.736 50 1 IJGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)o1 1772578617 ZPTLXVAYFNOXSJ-AFUMVMLFSA-N 432.867 4.830 50 1 IJGF CCOC(=O)c1cn(CCCCCCCCCCCCI)nn1 473113292 IJVIRKDCKVRTIN-UHFFFAOYSA-N 435.350 4.791 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@@H](C)Cl)CC2=O 587460610 UTGYTDMYVSSOQJ-QKFKETGDSA-N 433.932 4.954 50 1 IJGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587682621 DEDMRSLIIWGPLX-HOGDKLEQSA-N 427.745 4.752 50 1 IJGF CCCCCCC[C@H]1O[C@@H]1[C@H](OC(=O)CCCCCBr)C(=O)NCCCC 1772617334 KCCPADAFBYWWDW-HOJAQTOUSA-N 448.442 4.898 50 1 IJGF COc1cccc(OC)c1[C@@H]1C[C@@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166810368 CXIIMWBTYWXFSS-CABCVRRESA-N 429.822 4.683 50 1 IJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CBr 587874637 DLVIZCZYOQQPDC-UHFFFAOYSA-N 425.153 4.907 50 1 IJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@@H]1O[C@@H]1C5(C)C 2356480685 MKRVHEXNGFBKJC-BPQUVTTQSA-N 438.999 4.964 50 1 IJGF CCCCCCCCCCCC(=O)NNC(=O)[C@H]1Sc2ccccc2N(CC)C1=O 299835208 MAPNFCQQTMYDPS-OAQYLSRUSA-N 433.618 4.582 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684534 KVZVRXKLRZASAL-WYRIXSBYSA-N 425.729 4.563 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587687322 FYVYLAQABTUSHP-NXPJVHOHSA-N 447.776 4.566 50 1 IJGF Oc1ccc([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962637937 PNVFMHSRVLIZTD-RDGATRHJSA-N 449.392 4.778 50 1 IJGF O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1)c1ccncc1 102414472 ADAVHGXWTWEPRF-NEWJYFPISA-N 446.501 4.948 50 1 IJGF C[C@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326312 KRECRHUZBHIUNG-ISKFKSNPSA-N 439.870 4.983 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)O2 587372560 JRZKUAGLZLCKGT-SIKLNZKXSA-N 445.357 4.816 50 1 IJGF CC(=O)Nc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498849 JEKAEMMTVSNMOZ-JOCHJYFZSA-N 428.326 4.779 50 1 IJGF COc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587687982 JKHUOOASUQOKOD-ADWYPQAOSA-N 428.729 4.708 50 1 IJGF C[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(C(=O)O)cc1 43439539 DZHBLHBMECUABL-ZNAAGQRISA-N 432.513 4.670 50 1 IJGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@H]1c1ccc(F)cc1 1911570669 RPTGKTMKMZBHML-OAQYLSRUSA-N 426.403 4.523 50 1 IJGF N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)N1Cc2ccccc2Cc2ccccc21 96271123 DNOOPWAFYSQXSI-HYARGMPZSA-N 447.494 4.770 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689845 XBEHLLAOWHMXSK-XAAFQQQXSA-N 439.756 4.952 50 1 IJGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCCCC(=O)NN 587858119 CWAQOPGTCRMHLX-UHFFFAOYSA-N 441.359 4.616 50 1 IJGF CN(C)CCOc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 66157325 HPIOPIGFPBHLDQ-UHFFFAOYSA-N 439.387 4.555 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O 587415423 RYMPEBNYHDWPJM-XOBRGWDASA-N 437.717 4.703 50 1 IJGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689223 QZBZDACGSVZGCT-JGRMJRGVSA-N 440.740 4.620 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587689843 XBEHLLAOWHMXSK-HTGLOVNISA-N 439.756 4.952 50 1 IJGF COc1cc2c3c(c1)O[C@](c1c(F)cc(F)cc1F)([C@H](C)Br)[C@@H](C2)C3=O 587424750 UDWYDFPBHSSGRA-RXMFCQJDSA-N 427.216 4.539 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@H](C)N3C(C)=O)CC2=O 587462322 YEYQCEQDBPPOIA-BSEYFRJRSA-N 427.928 4.742 50 1 IJGF Cc1ccc([S@@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)cc1 1857641188 YIHQELRERWHSBK-JCOAXYOVSA-N 431.492 4.513 50 1 IJGF CC(/C=C/C=C(C)/C=C/C=O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 139235363 OOLFHQKWNFLQEI-UIEPTJENSA-N 440.580 4.818 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)c(Br)c1)O2 587381312 GWEZWLVLWQFUGQ-KRWDZBQOSA-N 443.110 4.734 50 1 IJGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1ccc([N+](=O)[O-])c(OC)c1 963237677 YQVFOVYKXBHWMC-VFNWGFHPSA-N 433.346 4.899 50 1 IJGF C[C@@H]1CCCC[C@@H]1n1c(-c2ccc(/C=C(/C#N)C(=O)N(C)C)o2)nc2c[nH]c3nccc-3c21 584905087 LVVYJCDRPPCFEQ-YXEVWGHGSA-N 442.523 4.871 50 1 IJGF in-vitro O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1F 587568409 LMNNDOWBMAGABK-UTKZUKDTSA-N 447.231 4.922 50 1 IJGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccccn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772647402 GMUIKMHHCFNTHS-JOCHJYFZSA-N 439.441 4.827 50 1 IJGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 95569713 IXYFATODGBSIBF-DEOSSOPVSA-N 425.463 4.847 50 3 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)CC2=O 587459064 MOJKSBZBTBQTLJ-OYLFLEFRSA-N 429.944 4.511 50 1 IJGF CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587685648 REWXCRGJVFMMPJ-AYLIAGHASA-N 427.745 4.752 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@H]1c1ccc(F)cc1 587327331 PGPYGNWGMUNGEO-NZQKXSOJSA-N 438.842 4.606 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OC(F)(F)F)cc1)O2 587381266 FKVRBNJOWRHUKG-KRWDZBQOSA-N 430.220 4.731 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(COc2ccccc2)N1 587672971 JGPHMMKMFZXHPR-SGTLLEGYSA-N 443.154 4.792 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)[C@@H]1CCCOC1 963187842 JNTOKIMEZXCSID-MZYLBHOOSA-N 425.370 4.826 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587420667 GOYXEDYFEWJLAK-KBXCAEBGSA-N 443.215 4.632 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)C(=O)OCC)CC2=O 587451934 LQXGVRARVPVBKS-IFMALSPDSA-N 447.325 4.532 50 1 IJGF COc1ccc(OC)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587541657 COWZIELOMCDWLA-NFBKMPQASA-N 426.852 4.505 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCBr)N1 587673703 PSIWFJQLUKXQNL-ADLMAVQZSA-N 443.154 4.986 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 587685481 QWZPOTXTEWCAKC-FKIZINRSSA-N 439.756 4.953 50 1 IJGF N[C@@H](CCl)NC(=O)CCCCCC#CC=CCCCCC#CC=CBr 2356830007 JCXKSPCUAUVJIF-LJQANCHMSA-N 427.814 4.609 50 1 IJGF COc1cc2c3c(c1)O[C@@](CCl)([C@@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587449069 DRIZKGRWXUJQCI-HKARXFIJSA-N 436.920 4.851 50 1 IJGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](Br)CC2 13761349 QQDXSEMWSXBMSC-CQSZACIVSA-N 437.355 4.844 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(COc2ccccc2)N1 587672709 HLMBSOTZMNOUHD-KPZWWZAWSA-N 443.154 4.792 50 1 IJGF O=C(O)C[C@@H](Br)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530721 HBHNJXJMIVTMQP-UZLBHIALSA-N 435.339 4.726 50 1 IJGF O=C(O)C[C@H](Br)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530716 HBHNJXJMIVTMQP-JXFKEZNVSA-N 435.339 4.726 50 1 IJGF COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587542300 GLMCNZVMPFHYOY-NFBKMPQASA-N 426.852 4.505 50 1 IJGF O=C(O)COc1cccc2c1CC[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)C2 3791458 KMIDDFHLHKFDHS-LJQANCHMSA-N 430.504 4.515 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3cc(-c4cccc(Cl)c4)nn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102127315 VIMUGEAEQQPVAH-DLQZLCHUSA-N 445.947 4.979 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3cccc(F)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106465 SMKYNUBBGIYNAM-PTBRYTJWSA-N 434.504 4.623 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1F)O2 587380918 CRBQDXGNWGIVAM-KRWDZBQOSA-N 443.110 4.734 50 1 IJGF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCl)OCO2 6041120 HOJFDDZDJXTKPO-AWNIVKPZSA-N 439.895 4.716 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)[C@@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169372255 DFBXOAXDWYYGMV-UKGOLDLVSA-N 448.400 4.747 50 1 IJGF O=C1CCc2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587501006 VWCZWTFKURYUSZ-QHCPKHFHSA-N 440.337 4.706 50 1 IJGF COc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587689450 SNEKNAYLRAEEMU-ADWYPQAOSA-N 428.729 4.708 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 587689596 UUIDRDRSPZGXFH-GIPWTMENSA-N 447.739 4.829 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2F)N1 587725975 HBECEJNADWLYTA-QGHHPUGFSA-N 431.118 4.900 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2O)N1 587731796 ZZESMZMHNQUGLP-XLFHBGCDSA-N 447.117 4.606 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)s1)O2 587411981 WRWGJEMVYYQRLH-OAHLLOKOSA-N 431.149 4.657 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587424038 WOKYKJPEYUMESL-KBXCAEBGSA-N 443.215 4.632 50 1 IJGF CCOP(=O)(C[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC 587852255 ZGROHBCDRGJAPZ-BZNIZROVSA-N 442.693 4.823 50 1 IJGF O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(Br)c1Br 1857586970 WYFIYZPWUVEMSS-UFFVCSGVSA-N 448.114 4.834 50 1 IJGF CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1 40394565 HKMWEKLSRJPNST-JTQIXUMHSA-N 435.531 4.629 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(Br)c1)O2 587376755 YAGMOJKQMIDQBD-QGZVFWFLSA-N 425.120 4.595 50 1 IJGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1)c1ccncc1 64549698 ADAVHGXWTWEPRF-WAPCQROESA-N 446.501 4.948 50 1 IJGF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(C(=O)NN)cc2[nH]1 587018913 RELMOQHOABXDDL-UHFFFAOYSA-N 446.363 4.923 50 1 IJGF N#Cc1ccc2c(C(=O)[C@H](Br)CC[C@@H](Br)C(=O)Cl)coc2c1 587277991 BXTSYVUVCXPPMJ-VXGBXAGGSA-N 447.510 4.560 50 1 IJGF COc1ccc(SC2=C(C=O)CCc3c2sc2nc4n(c(=O)c32)CCCCC4)cc1 45316108 MRFQPGVRNGQRES-UHFFFAOYSA-N 438.574 4.842 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(F)c2)N1 587733348 QPLDYGPKYNVNAJ-BMLIUANNSA-N 431.118 4.900 50 1 IJGF COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1857587050 AFDDUGFHZUJENJ-AWNIVKPZSA-N 444.331 4.704 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1F 587568407 LMNNDOWBMAGABK-DYESRHJHSA-N 447.231 4.922 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587569555 RBGHBRQBEJSYEI-NFBKMPQASA-N 441.842 4.586 50 1 IJGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 40631685 VWDXBAYYLLRRDS-QHHRZPEUSA-N 448.445 4.535 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(OC(F)(F)F)c1F)O2 587382505 MITJRLGWUQJARF-QGZVFWFLSA-N 448.210 4.871 50 1 IJGF COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498997 LBDMXACFJHCQGR-QFIPXVFZSA-N 429.310 4.608 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2O)N1 587732447 NDVWSJLZCAOCLJ-HUTHGQBESA-N 447.117 4.606 50 1 IJGF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 587874584 CFNPMLZSTQXCJK-UHFFFAOYSA-N 441.152 4.607 50 1 IJGF CC(C)=CC(=O)OC=C[C@@H]1[C@@]2(C)CC=CC(C)(C)OO[C@@]3(C)C[C@H]4OCC(=CC2)[C@]41O3 2356588023 GBXVARXVYDSBKY-BUGIRRBRSA-N 430.541 4.923 50 1 IJGF CC(C)CCOc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Br 586907538 MJYKPLPMYMFUOA-UHFFFAOYSA-N 429.270 4.728 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(CCl)cc(Br)cc3c1=O)O2 587372360 PRMCUWMWJAEBEL-KRWDZBQOSA-N 448.700 4.891 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1nc2ccccc2s1 963035563 NPEYHEGNNKIBAI-NRFANRHFSA-N 440.366 4.637 50 1 IJGF COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587671790 AVCFBAQFPISUBV-BBATYDOGSA-N 443.154 4.770 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587690142 ZMDKTAMBZBEMHS-HTGLOVNISA-N 439.756 4.952 50 1 IJGF O=C1CSC[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)N1 587042262 BXALQQAKFHVEGO-MRVPVSSYSA-N 438.241 4.887 50 1 IJGF CCOc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1 40879845 VNIUFERWGLZBES-JTQIXUMHSA-N 436.515 4.962 50 1 IJGF CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587688251 KBKYTWSMJPZFJP-ODXCJYRJSA-N 440.740 4.725 50 1 IJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@@H](Br)C34OCCO4)C(=O)[C@H]21 299859060 VNTNHARVKKWVGM-GGGWTEGZSA-N 445.470 4.519 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1F 587567118 DTIFUQXJXXQEDG-RXVVDRJESA-N 429.241 4.783 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCBr)c2)N1 587671721 AHUVCTKUUFZRRI-VOJFVSQTSA-N 443.154 4.986 50 1 IJGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@@]1([C@H]1C(=O)c2cccc4cccc1c24)CC3 1857763841 YLCNLYRZWXCCKN-LXFBAYGMSA-N 429.479 4.702 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C#N)s2)N1 587845304 DOEMFPMNUTZTGQ-XXFAHNHDSA-N 444.167 4.694 50 1 IJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)[C@H](Cl)C(=O)C(F)(F)F 961776063 KQTYNELLRDCPDY-OXQOHEQNSA-N 446.897 4.792 50 1 IJGF CSC(Cl)=C(NC(C)=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857621476 UTMYQJFANHGCGT-UHFFFAOYSA-O 426.929 4.845 50 1 IJGF C[C@](O)(CCc1ccc(N=C=S)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970256 MBCNDSMLFINWKN-SFHVURJKSA-N 439.415 4.670 50 1 IJGF O=C(CN(CCCl)CCCl)Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1 103169027 WLMJTJZBAXKSIT-UHFFFAOYSA-N 448.177 4.943 50 1 IJGF O=C(O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587378381 UXJVAEIHEQTRTH-WIYYLYMNSA-N 432.856 4.784 50 1 IJGF COc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587544690 OUYJSJQOHMJNGV-MXMTWJBOSA-N 426.852 4.591 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 587686191 BXJAAVWUUODUPP-JPJOULJCSA-N 425.729 4.584 50 1 IJGF COc1cccc2cc3c(nc12)[C@](CBr)(c1ccc2c(c1)CCCC2)NCC3 963029541 DKBMVUQIGNPGNY-DEOSSOPVSA-N 437.381 4.906 50 1 IJGF Cc1cc(/C=C(\C#N)c2nc3cnnc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053909 AWMMYFQBYOFLAE-NTUHNPAUSA-N 425.279 4.837 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)cc1 587538957 SMZVLRYGOXENOJ-SIKLNZKXSA-N 441.277 4.869 50 1 IJGF COc1ccc(Cl)cc1C#Cc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)n1 587910486 DLQOBLBJNMHSLS-RWZYYMRUSA-N 441.918 4.928 50 1 IJGF O=C(O)C[C@@H](Br)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501147 FUYWGMHVXQOLST-DENIHFKCSA-N 447.300 4.803 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)cc2)N1 587673783 PXCGZWNZVZFCIM-VOJFVSQTSA-N 438.138 4.633 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(C(F)(F)F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43910589 IIVIMLMUCQPYLB-BJHFPLIFSA-N 434.373 4.704 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)s2)N1 587849185 REZMAGYDIYWIQA-ABKXIKBNSA-N 444.167 4.694 50 1 IJGF CCc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962920289 DQABGMXIJRDLMZ-UKILVPOCSA-N 437.923 4.828 50 1 IJGF C=C(C=O)[C@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 238747329 VYQOUCVFZUSCOJ-BJBVUHDSSA-N 444.568 4.688 50 1 IJGF N#Cc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1C(F)(F)F 587009865 WIBSLCUCBMYFQF-SFHVURJKSA-N 445.832 4.573 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)O2 587382665 TUWMMHJQAGDQRL-BEFAXECRSA-N 428.248 4.725 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(F)c2)N1 587733354 QPLDYGPKYNVNAJ-DYZYQPBXSA-N 431.118 4.900 50 1 IJGF O=C(O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587378372 UXJVAEIHEQTRTH-GHTZIAJQSA-N 432.856 4.784 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccnc(Cl)c1 587539388 WCQFLXRDNMINOE-XLIONFOSSA-N 446.684 4.693 50 1 IJGF COc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539449 WKFUSCIPHNOIPL-DENIHFKCSA-N 441.277 4.653 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCCC2=O)cc1 587544810 OYROOLSPCBELDG-RCZVLFRGSA-N 449.890 4.615 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCl)cc2)N1 587684770 MFTMEMVMQUVWLL-ODXCJYRJSA-N 439.756 4.953 50 1 IJGF CC(C)=CC(=O)OC=C[C@@H]1[C@@]2(C)CC=CC(C)(C)OO[C@@]3(C)C[C@@H]4OCC(=CC2)[C@]41O3 2356588024 GBXVARXVYDSBKY-GGOXTKCOSA-N 430.541 4.923 50 1 IJGF C[C@@H]1CC[C@H]2[C@@](C)(CC(=O)ONc3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103190926 GEQBIDHBARGJRF-GQXOZWFUSA-N 437.920 4.605 50 1 IJGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587417552 NVKCFPQPWCNOHH-CPJSRVTESA-N 433.891 4.829 50 1 IJGF COc1cccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587671791 AVCFBAQFPISUBV-VOJFVSQTSA-N 443.154 4.770 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686496 CYCIYDRQYUQBLY-XAAFQQQXSA-N 439.756 4.952 50 1 IJGF CC(=O)Oc1ccc(C[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587690139 ZLSSWZICFZUWTR-MPBGBICISA-N 440.740 4.725 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(Cc2ccccc2)N1 587672370 FSGKGCPJLPZSGI-KPZWWZAWSA-N 427.155 4.955 50 1 IJGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@]1([C@H]1C(=O)c2cccc4cccc1c24)CC3 1857763843 YLCNLYRZWXCCKN-QDPGVEIFSA-N 429.479 4.702 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542678 IEIAVXSQNVYYTB-FDORUFNTSA-N 437.879 4.835 50 1 IJGF O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53297444 XUSZDSSHSMNJHP-VXKWHMMOSA-N 444.878 4.627 50 1 IJGF COc1ccc([C@H]2O[C@]34C[C@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934050 QRZBIBGOBHLRJC-CZAYHTPWSA-N 448.393 4.817 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]12C 195521700 JIYDMMUJCNTFKM-PFSHMZBTSA-N 448.644 4.849 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(COc2ccccc2)N1 587672973 JGPHMMKMFZXHPR-XIKOKIGWSA-N 443.154 4.792 50 1 IJGF CC1(C)CC(=O)c2cc(C(=O)NN(C(=O)c3ccccc3Cl)C(C)(C)C)ccc2O1 28645848 BIFSSWRPCKDGLP-UHFFFAOYSA-N 428.916 4.670 50 1 IJGF COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(O[C@H](C)C(=O)NN)cc1 103290432 NSDGQNZVWSWZCN-HCOMASKESA-N 446.547 4.539 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 587686487 CYCIYDRQYUQBLY-FKANQGBASA-N 439.756 4.952 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1CCl)OCCCO2 587885666 AWJSUBKEFKFVPY-UHFFFAOYSA-N 438.738 4.604 50 1 IJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccc(F)cc1 98084008 ANRGCFAHWKITKG-JOCHJYFZSA-N 427.435 4.981 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550513 WWIUHXMFEGXMPR-FTUMYFGPSA-N 446.890 4.872 50 1 IJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 101506053 OGMRMRYIHJURJL-WQFHYAIKSA-N 434.373 4.706 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587685210 OKFUUSGYMGSVEV-BCTVWOGZSA-N 429.673 4.564 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2O)N1 587732452 NDVWSJLZCAOCLJ-XLFHBGCDSA-N 447.117 4.606 50 1 IJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 1911577902 IPDMCNITVPFWIY-OELZFLBBSA-N 438.362 4.824 50 1 IJGF COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCCOc1c(C)cccc1C 13584644 QXZDNSYCYYCNAL-CPNJWEJPSA-N 449.532 4.772 50 1 IJGF COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587542304 GLMCNZVMPFHYOY-OFNKIYASSA-N 426.852 4.505 50 1 IJGF C[C@@]1(c2cccc(CBr)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695918 CPHAAGSKVBEECP-WMZOPIPTSA-N 446.238 4.602 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(F)cc(Br)c2[nH]1 587009682 PDMDXBCEXANWAK-INIZCTEOSA-N 449.711 4.585 50 1 IJGF CC(=O)NCCc1ccc([C@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)cc1F 962671579 TWTYWLHAGDXBIW-SANMLTNESA-N 436.958 4.799 50 1 IJGF COc1cc2c(cc1OC)[C@](C)(c1oc3ccccc3c1NC(=O)CCl)N(C)[C@@H](C)C2 962628294 OWTVDMCKLAQPLS-LFPIHBKWSA-N 442.943 4.767 50 1 IJGF C[C@@H](Br)[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587500553 SIWOXVVMAUKKAI-MCMMXHMISA-N 429.310 4.938 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCCO3)N1 587685259 OYZXEYRHXBFBMV-MPBGBICISA-N 440.740 4.766 50 1 IJGF COc1ccc(Br)c(C(=O)NNc2nc(-c3ccc(Cl)cc3)cs2)c1 28710111 IBFPJTVVLAJUEO-UHFFFAOYSA-N 438.734 4.992 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1c(F)cc(F)cc1F)([C@@H](C)Br)[C@@H](C2)C3=O 587424748 UDWYDFPBHSSGRA-KEMUKHNQSA-N 427.216 4.539 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587685212 OKFUUSGYMGSVEV-VPTHRUTESA-N 429.673 4.564 50 1 IJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccccc2CBr)N1 963180185 GHCKYNQCVGQYOP-XJKSGUPXSA-N 448.666 4.942 50 1 IJGF Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)cc1 5582838 PBQCVPWSFJZYEV-LQMSAZQOSA-N 430.468 4.845 50 1 IJGF O=C(COc1ccc2ccccc2c1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285275 PHHRKAWAYDBTJW-UHFFFAOYSA-N 441.556 4.581 50 1 IJGF CCN(CC)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587413390 NUUFRGPYUATOMN-XMSQKQJNSA-N 430.342 4.579 50 1 IJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(OCc4ccccc4)c1C)[C@@H](C2)C3=O 587416732 DFLKGBVBPJYRET-OFVILXPXSA-N 437.923 4.624 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@@H]2Br 587687227 YJDJAKWHRYVJKA-LOTHZSBOSA-N 425.139 4.686 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 587700153 LVFGPQGYKXMXNW-NQQFHWGISA-N 448.767 4.988 50 1 IJGF BrC[C@]1(c2ccc3c(c2)OCO3)c2ccsc2CCN1Cc1cccnc1 963014143 RFPZVGPBXUQEIQ-NRFANRHFSA-N 443.366 4.569 50 1 IJGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3CCCC2)cc(Br)c1OC 33971071 NMOMHQFVCUDVJT-LJQANCHMSA-N 441.325 4.563 50 1 IJGF CCOc1cccc(/C=N/NC(=O)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c1O 96938925 VNRNRMLXMOUHGD-UVHMKAGCSA-N 444.413 4.712 50 1 IJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(I)cnc2[nH]1 586973589 LTSHOYJDLTWHSY-VIFPVBQESA-N 442.098 4.609 50 1 IJGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546448 QTJAPILZDYSOCF-YDMGGKLESA-N 446.890 4.872 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccccc1CBr 587875211 PGLRESGTULLJGY-UHFFFAOYSA-N 425.153 4.793 50 1 IJGF O=C(O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587375225 LPPDNLOZPXUIAE-RBBKRZOGSA-N 446.883 4.713 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2=O 587462330 YFSZJLMEERJWRJ-SIKLNZKXSA-N 425.953 4.837 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 587687406 GOVVSIDPJVBIND-HTGLOVNISA-N 439.756 4.952 50 1 IJGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1ccccc1 95566585 UOJYEYOCGKRMRY-RUZDIDTESA-N 437.499 4.620 50 3 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587690152 ZOKVRVJQLACAOC-RDBACFOTSA-N 425.729 4.584 50 1 IJGF CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 29321561 MGBPLTCAPKOBMF-HNNXBMFYSA-N 433.895 4.968 50 1 IJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)[C@@H](Cl)C(=O)C(F)(F)F 961776053 KQTYNELLRDCPDY-JXFKEZNVSA-N 446.897 4.792 50 1 IJGF O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C/c1c[nH]c2ccccc12 1951005 OQUHAFCCSZWHJX-KBKYJPHKSA-N 436.821 4.709 50 1 IJGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](C(=O)O)N2 169299475 HFXTYQITEZRVMW-GYZWRVLVSA-N 446.912 4.548 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Br)ccc1F)O2 587381083 GFLUDOXKQKGREV-QGZVFWFLSA-N 443.110 4.734 50 1 IJGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc(F)cc1 653778067 NASXSTAPTPJRMM-CCVNUDIWSA-N 447.857 4.581 50 1 IJGF O=[N+]([O-])c1ccccc1[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962998055 NVSWDAZKJNWVBB-FQEVSTJZSA-N 444.354 4.748 50 1 IJGF COc1cccc2cc3c(nc12)[C@](CBr)(c1cccc(Cl)c1F)NCC3 963044765 CNDBLDLBRWCFIA-FQEVSTJZSA-N 435.724 4.820 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)CC2=O 587459060 MOJKSBZBTBQTLJ-OWJWWREXSA-N 429.944 4.511 50 1 IJGF CN(C)Cc1cc(C(=C(C#N)c2ccccc2)c2ccc(O)c(CN(C)C)c2)ccc1O 13650280 PANMTMUGDIMQGP-UHFFFAOYSA-N 427.548 4.704 50 1 IJGF Cc1ccc(-c2cnnn2[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 102144838 BPTZDQBGMDLWIN-RCNXKZRESA-N 425.529 4.634 50 1 IJGF COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(O[C@@H](C)C(=O)NN)cc1 103293155 NSDGQNZVWSWZCN-AJHZIAPWSA-N 446.547 4.539 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587684707 LSRIZYFTHYULGJ-BIBXISHDSA-N 437.740 4.802 50 1 IJGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962925381 MFEMRVNFYONHQF-FYSMJZIKSA-N 443.429 4.859 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418738 CFWYXPKPRLDWSJ-SCLBCKFNSA-N 445.206 4.891 50 1 IJGF Cc1cc([C@@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cccc(F)c1 963028281 OVYIINGHNLOWEN-NSYGIPOTSA-N 437.946 4.769 50 1 IJGF C[C@@H]1C=CC[C@H](Br)[C@H]2C[C@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 2356412355 OHWBWBOWCXAQRI-IJCQKZHJSA-N 426.576 4.702 50 1 IJGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](Cl)C(C)(C)O3)CC[C@@](C)(N=C=S)[C@H]2CC[C@]1(C)O 2356854608 RQQFTEHELDUPHF-PSDTUPOISA-N 429.070 4.578 50 1 IJGF CCSc1nc(N2C[C@H](C)O[C@H](C)C2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 35970104 QIMYRQJTAQJYHJ-DAYGRLMNSA-N 431.993 4.532 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 587686186 BXJAAVWUUODUPP-BAXPTACRSA-N 425.729 4.584 50 1 IJGF C[C@@]1(c2ccc(O)c(CCCl)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186369 SZEZKCFOWSWIRS-LPHOPBHVSA-N 448.268 4.708 50 1 IJGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cnn(CCCCl)c1 963841198 JJKHCFRTBCTBPP-NQIIRXRSSA-N 447.963 4.546 50 1 IJGF O=C(CCl)Nc1ccc(-n2nc(OCCF)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857637065 YRPHZIGJDGBBIV-UHFFFAOYSA-N 443.693 4.767 50 1 IJGF COCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587546217 UYRQQVOQHHASCZ-ZJSXRUAMSA-N 441.911 4.553 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(CBr)c1F 587894146 BHKZIYJNSQDLLQ-UHFFFAOYSA-N 447.106 4.877 50 1 IJGF CCC[C@H]1[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713433 UOFFBWGZQKKBQN-QTDGGUCWSA-N 430.501 4.850 50 3 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684532 KVZVRXKLRZASAL-WLRWDXFRSA-N 425.729 4.563 50 1 IJGF O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 621478404 RBQYHXKKQQTNSF-GZVSXXMESA-N 443.496 4.991 50 1 IJGF O=C(NCCCl)NCCN1c2nc3ccccc3cc2Sc2cc3ccccc3nc21 73225050 UHFHGUCGIVHXGO-UHFFFAOYSA-N 449.967 4.924 50 1 IJGF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587009130 WXDPAFDQCJWMRV-GFCCVEGCSA-N 438.258 4.901 50 1 IJGF N#Cc1c(CCl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 587544753 NTQYWVKPWNHSOJ-HYBUGGRVSA-N 430.847 4.958 50 1 IJGF COc1cc(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1OC 1857631022 LRJYIHCFJPGKOX-DHRITJCHSA-N 439.899 4.500 50 1 IJGF Clc1ccc2c(NCCN3CCC4(CC3)OCC3(CCCCC3)OO4)ccnc2c1 66100887 UJBKSCBIYZHSPC-UHFFFAOYSA-N 431.964 4.774 50 1 IJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccco1 103542129 SMOFYORTPNIDOO-ZEZKVYLTSA-N 441.553 4.727 50 1 IJGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587686334 CQVBFYPUNOLNPV-WLRWDXFRSA-N 428.729 4.622 50 1 IJGF Cc1[nH]nc2c1[C@](c1cc(-c3cccnc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772588612 HAYCFQKOYRVMTN-QFIPXVFZSA-N 439.441 4.827 50 1 IJGF COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O 587417078 JBAGQJFTJLSQHI-KWYHIRNNSA-N 425.868 4.670 50 1 IJGF COc1ccc2c(c1OC)[C@](c1cc(F)ccc1F)([C@H](C)Br)N(C)[C@H](C)C2 962627289 GRJHTODYBNUTRF-RRMDADRESA-N 440.328 4.885 50 1 IJGF C[C@]1(c2cccc(CBr)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695916 CPHAAGSKVBEECP-FUHWJXTLSA-N 446.238 4.602 50 1 IJGF COc1ccc([C@@]2(CCCCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(OC)c1 962729628 ILGZQSPPXFBBOY-NQIIRXRSSA-N 441.877 4.612 50 1 IJGF COc1ccc(C=NNC(=O)c2oc3nc(-c4ccco4)cc(-c4ccco4)c3c2N)cc1 957682767 SHWHHYZLWOMXGZ-UHFFFAOYSA-N 442.431 4.703 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)cc1F)O2 587380203 CECHZVJYYFGKJL-QGZVFWFLSA-N 432.211 4.991 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(C(Br)Br)O2 587413005 LCRUJAZMRAIZHY-OAHLLOKOSA-N 431.149 4.615 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCBr)c2)N1 587671720 AHUVCTKUUFZRRI-BBATYDOGSA-N 443.154 4.986 50 1 IJGF O=C1CC(CBr)=NN1c1c2ccccc2nc2ccc(Br)cc12 49054867 HKLHBYGZHXYQSH-UHFFFAOYSA-N 433.103 4.638 50 1 IJGF N#CC1=C(N)Oc2ccc(Br)cc2[C@@H]1CC(=O)c1ccc(Br)cc1 1857772868 SXPZBIMBIXKOAP-ZDUSSCGKSA-N 448.114 4.654 50 1 IJGF N#C/C=C(/c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F 14945557 CRXBYOWJISXKAI-LCYFTJDESA-N 436.368 4.659 50 1 IJGF COC(=O)c1ccc([C@H](C)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 43427311 GEJRUAFBQGUAGN-USUZMPHFSA-N 446.540 4.759 50 1 IJGF Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587757478 VAMNAEYWBNZPGG-YCCICORLSA-N 428.349 4.644 50 1 IJGF Nc1ncnc2c1c(-c1ccc(Br)cc1)nn2C[C@@H](Cl)c1ccccc1 1857546952 FLTCIVPHJFXSOA-OAHLLOKOSA-N 428.721 4.818 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC(F)(F)[C@@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 195342801 DFBXOAXDWYYGMV-CPVYOZNASA-N 448.400 4.747 50 1 IJGF Cc1ccc([C@]2([C@@H](Br)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499736 OOGHTWMGKZFPHD-REWPJTCUSA-N 443.337 4.973 50 1 IJGF Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570196 INPMDYGEHVZXAB-KHTHZKRXSA-N 426.472 4.527 50 1 IJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1c[nH]c2ccccc12 299816568 GLMBLYJZEORPDP-UHFFFAOYSA-N 439.544 4.960 50 1 IJGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)NC[C@@H]4CC(=O)N(C)c5cccc3c54)c2C)c1 963032895 UDOXSRNJKNWJMN-SIBVEZHUSA-N 433.983 4.938 50 1 IJGF BrC[C@H]1C[n+]2c(SCc3ccccc3)nc3sc4c(c3c2O1)CCCC4 1249016 PNHMURDKOHJIEJ-AWEZNQCLSA-N 448.431 4.911 50 3 IJGF CC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)NNCc1cccc(C(F)(F)F)c1 103208605 LTCLWHYQPXHZMY-UHFFFAOYSA-N 427.854 4.778 50 1 IJGF O=C(O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587375219 LPPDNLOZPXUIAE-IFMALSPDSA-N 446.883 4.713 50 1 IJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587672403 FSXHROZUBSHMLZ-ADLMAVQZSA-N 443.154 4.770 50 1 IJGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587685652 REWXCRGJVFMMPJ-UGZDLDLSSA-N 427.745 4.752 50 1 IJGF Oc1ccc([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962637944 PNVFMHSRVLIZTD-WIOPSUGQSA-N 449.392 4.778 50 1 IJGF Cc1ccc(C2OOC(c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)OO2)cc1 72175020 AHFQTUCMSYQZQX-UHFFFAOYSA-N 446.503 4.565 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CCCCl)s1 587897455 DTMYVGRZVAIYLN-UHFFFAOYSA-N 428.768 4.967 50 1 IJGF O=C([C@H]1Cc2ccccc2[C@@](CBr)(C2(c3ccccc3)CC2)N1)C(F)(F)F 962727647 ACBHJWNVPBSSSR-XLIONFOSSA-N 438.287 4.654 50 1 IJGF C=C1C[C@H]2[C@@H]3C=C(SC#N)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 169302481 QCJIHSMNLUBBSF-DAHGFBLPSA-N 439.577 4.893 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2O)N1 587730052 IFFPBMFXBIZYIA-XLFHBGCDSA-N 447.117 4.606 50 1 IJGF Cc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1 653778081 TWBPAVBFCIZSIN-RWPZCVJISA-N 443.894 4.750 50 1 IJGF N#CC(CCSC(=S)N1CCN(CCCl)CC1)(c1ccccc1)c1ccccc1 40565891 DRSZRPWUUKKXTG-UHFFFAOYSA-N 444.069 4.761 50 1 IJGF COc1ccc(C(=O)CCC[C@H]2OO[C@@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 195187104 OOWSTJBJUKGZDR-SGNDLWITSA-N 444.480 4.673 50 1 IJGF C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@@]2(O)[C@]1(N=C)[C@H]1O[C@H]1C5(C)C 238769103 MKRVHEXNGFBKJC-CXGOSFSJSA-N 438.999 4.964 50 1 IJGF COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O 587417076 JBAGQJFTJLSQHI-GOBSUKIASA-N 425.868 4.670 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541672 CTUXDXAFEYOOML-XXBNENTESA-N 425.868 4.636 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)cc2)N1 587673784 PXCGZWNZVZFCIM-ZMZPIMSZSA-N 438.138 4.633 50 1 IJGF Nc1c(C(=O)N/N=C/c2ccccc2)oc2nc(-c3cccs3)cc(C(F)(F)F)c12 1857638184 RTUCEBXBDYZFJR-KIBLKLHPSA-N 430.411 4.921 50 1 IJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537521 GYIQVCKCZIREMG-SIKLNZKXSA-N 441.277 4.653 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587726746 ZJYABLLBLAPTHB-DGIBIBHMSA-N 443.719 4.702 50 1 IJGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccccc4N[C@]32C[C@H]1Cl 2356500218 RIOWJYUGPBYKPY-URFZZILJSA-N 447.764 4.570 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C(=O)OC)c(C)n(C3CC3)c1C)CC2=O 587461848 ZSVMVVYXIBLWPA-DEOSSOPVSA-N 445.943 4.984 50 1 IJGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546920 YWNGHBNQDXXGAF-WVRMYWEISA-N 438.863 4.504 50 1 IJGF C[C@@H](C(=O)NCCCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 618009065 REWIKDZMQXZYBU-MRXNPFEDSA-N 436.668 4.532 50 1 IJGF C[C@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326313 KRECRHUZBHIUNG-LADGPHEKSA-N 439.870 4.983 50 1 IJGF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)[C@@H](C)Cl)cc1C2=O 1857604350 NIDCENLSQSHNBF-CYBMUJFWSA-N 429.900 4.605 50 1 IJGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2 13151893 HFXTYQITEZRVMW-NVAYWJMMSA-N 446.912 4.548 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(CBr)cc21 587377696 OZGGMMTXKLUKEH-DEOSSOPVSA-N 448.316 4.926 50 1 IJGF COCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587546216 UYRQQVOQHHASCZ-XUZZJYLKSA-N 441.911 4.553 50 1 IJGF COCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587688624 MORALBYPHTUGMK-FKIZINRSSA-N 443.788 4.670 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(-c3ccccc3)noc1C)O2 587372201 HVXNZDMLWQZKKJ-OAQYLSRUSA-N 427.298 4.796 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(CBr)c1 587896383 RYESDSQRYDDIKO-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]12C 43408925 FRINQRNKFUDCAA-LANJTCSXSA-N 448.644 4.705 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1 587571366 NIHXAQHMYCKLRI-WIYYLYMNSA-N 429.241 4.783 50 1 IJGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccc(Cl)c(Cl)c1 1772625302 HTMNMHIFUPOACL-SFHVURJKSA-N 434.286 4.890 50 1 IJGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](Cl)C(C)(C)O3)CC[C@@](C)(N=C=S)[C@H]2CC[C@]1(C)O 2356854610 RQQFTEHELDUPHF-UAJZKUBTSA-N 429.070 4.578 50 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COCC1=C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 2356820003 FHACEKQZJUCDBT-IICXDKKESA-N 444.635 4.655 50 1 IJGF C/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238067 GCJYRDUCGCXOFP-JJIBRWJFSA-N 440.341 4.776 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587685213 OKFUUSGYMGSVEV-ZKANADHPSA-N 429.673 4.564 50 1 IJGF Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587699514 QMHLVYKMVQAGMB-YBTHPKLGSA-N 436.708 4.803 50 1 IJGF C[C@]1(CCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963025968 WBYDFNQCPNCZKC-AVRDEDQJSA-N 431.319 4.817 50 1 IJGF COCC1=C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 2356820001 FHACEKQZJUCDBT-ABNPOPBRSA-N 444.635 4.655 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(C(F)(F)F)c1F)O2 587383305 VWGXHKHZDINYAY-KRWDZBQOSA-N 432.211 4.991 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@@H]1Cc2ccccc21 587537270 CGCSPYKUDDJXJP-MONBJTKQSA-N 437.289 4.827 50 1 IJGF 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444.305 4.878 50 1 IJGF FC(F)(F)c1cccc2c1[C@](CBr)(C[C@@H]1CCCO1)NCC21CCOCC1 962959246 SKUBEURWXBLQEZ-IFXJQAMLSA-N 448.323 4.516 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1F 587567119 DTIFUQXJXXQEDG-WIYYLYMNSA-N 429.241 4.783 50 1 IJGF CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587690141 ZLSSWZICFZUWTR-YUNKPMOVSA-N 440.740 4.725 50 1 IJGF C[C@H](Cl)[C@@]1(Cc2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919640 BWUWEWGNPXOYPZ-GVHPLLPZSA-N 437.923 4.849 50 1 IJGF CC1(C)O[C@@](C)([C@@H]2CC[C@@](C)(Cl)[C@H](Br)C2)[C@@H](O)C[C@@H]1Br 49777794 ZAULPZAMCNCFDT-NJTCAMEISA-N 432.624 4.630 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)cc1 587538955 SMZVLRYGOXENOJ-DENIHFKCSA-N 441.277 4.869 50 1 IJGF CC[C@H](Br)[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670005 HMWRPLQZRAFSBM-DPZKZMLUSA-N 442.170 4.935 50 1 IJGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327110 ONOUXGINBILZNY-NOQKTNJKSA-N 449.906 4.781 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(Cl)c2)N1 587674495 XCHBPPAKMLXGPT-JDNHERCYSA-N 448.561 4.809 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCl)N1 587683510 HLOHFKSFOHFFEE-WLRWDXFRSA-N 425.729 4.563 50 1 IJGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(C(C)C)c2c1 587617202 BWTYALXQWFTLKN-UHFFFAOYSA-N 437.905 4.748 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)cccc1CBr 587893292 PVZICFIGRCEJPP-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1OC(F)(F)F)O2 587381276 FNNPIFBROAZWMW-QGZVFWFLSA-N 430.220 4.731 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 587685483 QWZPOTXTEWCAKC-MPBGBICISA-N 439.756 4.953 50 1 IJGF 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#CCCCBr 26002937 VWDXBAYYLLRRDS-LMWRQSBWSA-N 448.445 4.535 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]12C 195343832 JIYDMMUJCNTFKM-CDDZYNLBSA-N 448.644 4.849 50 1 IJGF O=C(c1ccncc1)N(/N=N/c1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1F 1772650638 HCHDDVRKUGNZAF-GHVJWSGMSA-N 428.311 4.522 50 1 IJGF C/C(=N\NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 72175585 QZNJEJOFUWTMRX-CIAFOILYSA-N 428.242 4.771 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC(F)(F)[C@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101311239 DFBXOAXDWYYGMV-WAIYOSBZSA-N 448.400 4.747 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]12C 195318623 FRINQRNKFUDCAA-ZCPHAOKWSA-N 448.644 4.705 50 1 IJGF COc1cc2ncnc(Nc3cccc(N(CCCl)CCCl)c3)c2cc1OC(C)=O 96921929 NTFQUWGYXNDGLM-UHFFFAOYSA-N 449.338 4.591 50 1 IJGF O=C1CCc2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587501001 VWCZWTFKURYUSZ-HSZRJFAPSA-N 440.337 4.706 50 1 IJGF C=CC(C)=CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C(C=O)[C@@]2(C=O)[C@@H](OC)C[C@H]1C 2356511806 IIENMWMYMSMVQK-NEWDIPEBSA-N 430.585 4.858 50 1 IJGF COc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674497 XCHPZJHLHHXANE-ADLMAVQZSA-N 443.154 4.770 50 1 IJGF CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2cc(C)on2)=C(C#N)[C@H]1c1cccs1 19853528 QLUVKXOJOMCWIR-ONZPZFSWSA-N 444.538 4.516 50 1 IJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1Br 95809038 MOMKEBSMTUDFIX-HZHRSRAPSA-N 446.345 4.584 50 1 IJGF CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@H](Br)CO)C[C@H]3CC[C@@H]2[C@@]2(C)C[C@@H]12 139613257 UITMQFQYJZYSCA-MIHBMPKXSA-N 425.407 4.863 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(C(F)(F)F)c1F)O2 587383307 VWGXHKHZDINYAY-QGZVFWFLSA-N 432.211 4.991 50 1 IJGF CCCCOc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587414580 WHZGLPBCCGOOPR-XMSQKQJNSA-N 431.326 4.912 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCCC2=O)cc1 587544813 OYROOLSPCBELDG-WIOPSUGQSA-N 449.890 4.615 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@H]2Br 587677991 BUIFYSZIGJRMBS-YZOQQBSESA-N 425.139 4.686 50 1 IJGF COc1ccc(/C=C/C(=O)SSC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1 473126174 ZHKHUQVGYHWMLJ-MKICQXMISA-N 446.546 4.882 50 1 IJGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323684 MGKDNKBZGRMTCT-UNWVZKJWSA-N 434.891 4.846 50 1 IJGF N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539971 ZANYWOSWYUBFAM-KNQAVFIVSA-N 436.261 4.516 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc2c(c1)OCCO2 587541468 BWDQDUGBPYFZTG-URXFXBBRSA-N 438.863 4.649 50 1 IJGF Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587853839 RYWCXCJQWGAMDL-YHYSRRTLSA-N 428.758 4.629 50 1 IJGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@]1([C@@H]1C(=O)c2cccc4cccc1c24)CC3 1857763842 YLCNLYRZWXCCKN-NEKDWFFYSA-N 429.479 4.702 50 1 IJGF C[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(C(=O)O)cc1 43439541 DZHBLHBMECUABL-NGMNJUHHSA-N 432.513 4.670 50 1 IJGF CCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546878 YKSCILUHOHNUDB-ZJSXRUAMSA-N 437.879 4.837 50 1 IJGF CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@H](O)C[C@@H]1[C@]2(C)CC[C@H]2C[C@@]21C 2356680762 TVPGLKMZPNMCDZ-JTFBETSKSA-N 425.407 4.863 50 1 IJGF CC(C)C[C@H](C(=O)N1CCC[C@H]1c1nccs1)N(C)C(=O)C[C@H](C)C(Cl)Cl 198496761 ANUFTPMAINMTEZ-SOUVJXGZSA-N 434.433 4.510 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)([C@@H](C)Br)CC2=O 587457441 ZNLASSRPZOOLMA-GTJPDFRWSA-N 433.298 4.718 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1F 587566938 CGYCAOUNDBTYFI-RXVVDRJESA-N 447.231 4.922 50 1 IJGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672199 DZUOVQWLVROJAY-ADLMAVQZSA-N 443.154 4.770 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2O)N1 587728180 RLZVBWJGSNTQSS-HUTHGQBESA-N 447.117 4.606 50 1 IJGF COc1ccc(/C=C/C(=O)SSC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 473112626 CYGXBVOSCODRDJ-MKICQXMISA-N 446.546 4.882 50 1 IJGF COC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCc1ccccc1 13675431 ZMUFGWSRGANJQR-NRFANRHFSA-N 434.927 4.853 50 1 IJGF CN(C=O)c1ccc([C@@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1 963191785 HYTZILMTZLTEBC-FTJBHMTQSA-N 429.951 4.885 50 1 IJGF CC1(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)OCCCO1 33340151 GRGQGEXXFPYFLE-CFRMEGHHSA-N 437.323 4.566 50 1 IJGF N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)N(CCc1ccccc1)c1ccccc1 96271124 JDOBKGGIABFUGU-OQKWZONESA-N 449.510 4.909 50 1 IJGF O=C(Cl)/C=C/c1ccc(/C=C/C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587274063 RWRBMDUTXKVCSS-KQQUZDAGSA-N 446.684 4.757 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2F)N1 587726547 KANHEGCITIKSSZ-BTDLBPIBSA-N 431.118 4.900 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2F)N1 587726548 KANHEGCITIKSSZ-DYZYQPBXSA-N 431.118 4.900 50 1 IJGF COC(=O)Cc1ccc(S[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 1857553275 DAZIZFNYPAHFTE-NKBQRIFNSA-N 448.581 4.702 50 1 IJGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCCCCC1 13491839 BOORXVUWVWWNBQ-FQEVSTJZSA-N 426.948 4.969 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541670 CTUXDXAFEYOOML-CVDCTZTESA-N 425.868 4.636 50 1 IJGF C[C@@H]1CC=C[C@H](Br)[C@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 2356613789 YLTAXFWQNWJZMS-RYAPBUNASA-N 426.576 4.702 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(Cl)c2)N1 587674262 VNGYDKHOGWNDHY-XXFAHNHDSA-N 448.561 4.809 50 1 IJGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(OCCN(C)C)nc2n1 73294403 FFWLKDXSVANUON-UHFFFAOYSA-N 438.426 4.774 50 1 IJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587681105 KBCULCKJIMVIPM-FVINQWEUSA-N 435.724 4.921 50 1 IJGF O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN/C=C1\C=Nc2ccccc21 34236687 OVCFLQZNQSUYFB-XDJHFCHBSA-N 439.544 4.555 50 3 IJGF C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)[C@@H](I)C[C@@H]12 31898211 RCJSCMFZUGPPHB-ZFIZBDDBSA-N 444.353 4.886 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 36311287 IVUHHJMJXHUZIE-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CCCl)c(F)c1 587894367 GQBWUDHOZNUMSN-UHFFFAOYSA-N 426.702 4.655 50 1 IJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)c2c(F)cccc2C[C@H]2CCCN21 963110551 NANCSMNNUPAEHF-KVYSYTRMSA-N 436.980 4.781 50 1 IJGF C[C@]1(OC/C=C/c2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 140064268 FDPBKGIKXYISBY-IENUYVGMSA-N 442.577 4.838 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C#N)c2)N1 587674418 WOECCLAGWWCSGN-BBATYDOGSA-N 438.138 4.633 50 1 IJGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 26002916 VWDXBAYYLLRRDS-LBYRQTAISA-N 448.445 4.535 50 1 IJGF CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)c1 49680261 UNGALHHMDYBABX-HSZRJFAPSA-N 432.561 4.896 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546443 QTJAPILZDYSOCF-CBWQTPAUSA-N 446.890 4.872 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@]3(c1c[nH]c2ccccc12)[C@@H](C)Br 963051960 ZVCNDUZUMAUELF-FATZIPQQSA-N 436.353 4.897 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccnc2)[C@H]1c1ccc(F)cc1 587323632 SFYWODVLRYYUSS-FPOVZHCZSA-N 428.257 4.576 50 1 IJGF COC(=O)c1ccc([C@@]2(CBr)NCCc3cc(-c4ccccc4)ccc32)cc1 962671183 WRYYFILGBCTHQM-XMMPIXPASA-N 436.349 4.924 50 1 IJGF C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1CC(=O)NCCCCl 71316989 MUCDAOMWZDBWRI-VZEOHHTFSA-N 438.052 4.851 50 1 IJGF N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539973 ZANYWOSWYUBFAM-UGKGYDQZSA-N 436.261 4.516 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CCBr 587875063 NSYOMFLLRVWBKR-UHFFFAOYSA-N 425.153 4.641 50 1 IJGF CN(C)CCC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)CCCC2 103224698 DXJYYXGQCNCNBW-AZPGRJICSA-N 429.564 4.900 50 1 IJGF CCCCCC=CC[C@@H](C=CC=CCC=CCCCC(=O)NCCS(=O)(=O)O)OO 2356378009 SSECKXODJGCASI-NRFANRHFSA-N 443.606 4.604 50 1 IJGF N#CC(=C\c1ccc(Cl)cc1)/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 103228454 CSZPZFRUAMLIOJ-FNIQPLQKSA-N 426.906 4.894 50 1 IJGF Cc1ccc(NC(=O)[C@@H](C)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587879350 BUZJHIBMWQRLDJ-CQSZACIVSA-N 437.754 4.578 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1oc2ccccc2c1NC(=O)CCl 963059265 QBPKLGDOXWEUBT-XMMPIXPASA-N 435.911 4.576 50 1 IJGF COc1ccc(C(=O)CCC[C@@H]2OO[C@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 38158856 OOWSTJBJUKGZDR-RBZQAINGSA-N 444.480 4.673 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587686197 BXJAAVWUUODUPP-XTDINYQCSA-N 425.729 4.584 50 1 IJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CBr)CC[C@@H]1CCCO1 962717584 QKGFSXIVLLXQRE-GQIGUUNPSA-N 428.411 4.739 50 1 IJGF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1OOCC=C(C)C 2356340031 FYMHPHPOYQJWDS-DRTRNHDVSA-N 440.492 4.776 50 1 IJGF CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@H]2C[C@]21C 140673056 TVPGLKMZPNMCDZ-FZEVXNFYSA-N 425.407 4.863 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O 587423642 YKFYPTHZNCKDAX-UGSOOPFHSA-N 445.206 4.891 50 1 IJGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587545921 SWBHKVWIAMEBGU-XXBNENTESA-N 425.868 4.636 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)cc2)N1 587672775 HOLDFTLMKTXORQ-VOJFVSQTSA-N 443.154 4.986 50 1 IJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962951667 OTKRWBRKQUTFCG-CGYQNGNCSA-N 441.369 4.662 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCCC4)n3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49680086 HXSFDDNLMXVAIU-NCKFVDEJSA-N 430.589 4.544 50 1 IJGF Oc1ccc([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962637909 PNVFMHSRVLIZTD-DHLKQENFSA-N 449.392 4.778 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 36311310 YVDKYNSRRYVERE-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF Cc1cc(Cl)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)CCl 103208893 GMIIFUZEEUBREJ-UHFFFAOYSA-N 442.774 4.940 50 1 IJGF COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3ccccc3)Nc3n[nH]c(-c4ccccc4)c32)cc1 1857656339 YNCMRCFYUFTNHK-JOCHJYFZSA-N 447.498 4.808 50 1 IJGF CCOC(=O)[C@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327996 SHAWZKFVYOSRFR-NZQKXSOJSA-N 434.891 4.991 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1F 587555673 HIWBXSZJAYACLD-GHTZIAJQSA-N 447.231 4.922 50 1 IJGF Cc1csc([C@H](C#N)[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587850205 CPOVIVQTRPMMIE-OVSFNBESSA-N 428.758 4.629 50 1 IJGF CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)NCCc2cc3cccc(OC)c3nc21 963054584 IIBGBLLKFNOUEV-OFNKIYASSA-N 441.369 4.815 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC[C@@H]2Br 587541604 CLNMONZBHICKDC-SXWKCWPCSA-N 437.289 4.959 50 1 IJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587681116 KBCULCKJIMVIPM-WVDJIFEKSA-N 435.724 4.921 50 1 IJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccccc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101267470 IPDMCNITVPFWIY-NFJVIFTASA-N 438.362 4.824 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587690144 ZMDKTAMBZBEMHS-PVUDRZGPSA-N 439.756 4.952 50 1 IJGF CCCCNc1c(C(=O)OCC)cnc2c1cnn2C[C@H](Cl)COc1ccccc1 13491845 BVNPWCKOPYUPOU-INIZCTEOSA-N 430.936 4.506 50 1 IJGF CC(C)(C)N(NC(=O)c1cccc(Cl)c1)C(=O)c1coc2ccc(Cl)cc2c1=O 28645865 DCFDNBGCHZIGEW-UHFFFAOYSA-N 433.291 4.686 50 1 IJGF C#CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71317575 ZLSWFRZGMZGWNU-UHFFFAOYSA-N 448.567 4.615 50 1 IJGF CCc1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O 587547216 ZJXRBCOBPLNYRW-GBXCKJPGSA-N 439.895 4.890 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C#N)cc2)N1 587674306 VXULHHPGHOONKH-ZMZPIMSZSA-N 438.138 4.633 50 1 IJGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@H]1c1cccc(F)c1 1911580626 TYNHTWWFNFXUHE-NRFANRHFSA-N 426.403 4.523 50 1 IJGF C[C@@]1(C=CBr)O[C@H]([C@@](C)(Br)CCl)C[C@H]1Br 2356677735 WZBGMRRSJBIOSX-KATARQTJSA-N 425.386 4.599 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1F 35971372 MNQVHVGGWNTQLT-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327108 ONOUXGINBILZNY-DOYUUMQYSA-N 449.906 4.781 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587327881 SDABQJQITMHMBH-VWNXMTODSA-N 440.854 4.796 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(CCl)cc(Br)cc3c1=O)O2 587372363 PRMCUWMWJAEBEL-QGZVFWFLSA-N 448.700 4.891 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)CC2=O 587460671 VNXHIYNMGNNHLU-BSEYFRJRSA-N 427.928 4.742 50 1 IJGF O=C(O)C[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498216 FZQWIHDIAWGQAE-SIKLNZKXSA-N 429.310 4.664 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 587689598 UUIDRDRSPZGXFH-PRWKNARSSA-N 447.739 4.829 50 1 IJGF O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)ccc1Br 1857608592 YFWVRVYMCMONKM-UFFVCSGVSA-N 448.114 4.834 50 1 IJGF CC(C)COc1cccc2c1C(=O)c1c(OCC(C)C)cc(NC(=O)CCl)cc1C2=O 206584684 MOOQOLLQRXEKKT-UHFFFAOYSA-N 443.927 4.709 50 1 IJGF CCCN(C(=O)CCl)c1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1 1857767075 LZSMEQTVMQWBDE-UHFFFAOYSA-N 434.245 4.988 50 1 IJGF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CBr)CC3=O 29133651 DSWAHIVYQGQNPY-LBPRGKRZSA-N 433.298 4.658 50 1 IJGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F 587381422 IOBBKOUCAQQUOW-SFHVURJKSA-N 444.247 4.860 50 1 IJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CCCCl)(c3ccccc3F)N12 962666274 MWTXSXLKOCVOKB-BJKOFHAPSA-N 426.919 4.735 50 1 IJGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2Cl)s1 42966373 NJOIWRPUSFPCAL-ZWKOTPCHSA-N 444.347 4.593 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417736 PHVGUUUZARMTTP-XMYANBKOSA-N 427.928 4.950 50 1 IJGF O=C1C(O)=C(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)C(=O)c2ccccc21 621476057 AKOPRRQMZMQJPH-UHFFFAOYSA-N 436.504 4.895 50 1 IJGF CCC[C@H](CC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781412 JCQAQEXFLCVUFU-HXUWFJFHSA-N 448.567 4.528 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c(F)c1F 587893248 OTHSVNSPBGYXBD-UHFFFAOYSA-N 447.106 4.877 50 1 IJGF CN(C)C(=O)/C(C#N)=C\c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 584905015 GJMZWYLOARVASY-QINSGFPZSA-N 428.496 4.625 50 1 IJGF in-vitro O=C(CCl)N[C@@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986804 WATWNJOLURNCNQ-FQEVSTJZSA-N 442.902 4.791 50 1 IJGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323682 MGKDNKBZGRMTCT-NWSQWKLXSA-N 434.891 4.846 50 1 IJGF COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587539730 XXMWLTNDAOEVEZ-UGKGYDQZSA-N 441.277 4.653 50 1 IJGF CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587838002 LZPWQVHGPQKFBQ-DMZKTXOQSA-N 430.317 4.965 50 1 IJGF O=C(N/N=C/c1c(-c2cc3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1F 1772610392 STDOWNWWXLKTPS-MZJWZYIUSA-N 425.419 4.844 50 1 IJGF C[C@](Br)(CCl)[C@@H]1C[C@H](Br)[C@@](C)(C=CBr)O1 2356677734 WZBGMRRSJBIOSX-AATLWQCWSA-N 425.386 4.599 50 1 IJGF C[C@@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(C(=O)O)cc1 102139881 DZHBLHBMECUABL-ASHBHLEASA-N 432.513 4.670 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376785 QBRILOBNCNACJP-OWNLPJPOSA-N 434.492 4.816 50 1 IJGF C/C(=N/NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)c2ccc(F)cc2)c1 4401050 GWHROODQBCZHSU-MSXFZWOLSA-N 444.260 4.588 50 3 IJGF COc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587544671 OUYJSJQOHMJNGV-GQIHDASDSA-N 426.852 4.591 50 1 IJGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C(C#N)=COc2ccccc21 963852666 DBVALPOXEBIRES-NIYFSFCBSA-N 446.503 4.675 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 43408934 FRINQRNKFUDCAA-YDQZBOFUSA-N 448.644 4.705 50 1 IJGF CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 103222906 CTITUDILXYNHNP-WENBPLFZSA-N 439.518 4.685 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)cc2)N1 587673781 PXCGZWNZVZFCIM-ADLMAVQZSA-N 438.138 4.633 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(COc2ccccc2)N1 587672711 HLMBSOTZMNOUHD-SGTLLEGYSA-N 443.154 4.792 50 1 IJGF C[C@H](Cl)[C@]1(Cc2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919645 BWUWEWGNPXOYPZ-KXXXHFJOSA-N 437.923 4.849 50 1 IJGF CN(CCCCCCCCN)CCSSCCN(C)CCCCCCCCN 39263997 TZRWOLSDNWZTSJ-UHFFFAOYSA-N 434.804 4.830 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N3CCCCC3)cc1)O2 587370918 CRJOEDLXSQAATG-QFIPXVFZSA-N 429.358 4.823 50 1 IJGF COc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539453 WKFUSCIPHNOIPL-UGKGYDQZSA-N 441.277 4.653 50 1 IJGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546922 YWNGHBNQDXXGAF-XHCKBEORSA-N 438.863 4.504 50 1 IJGF CCOP(=O)(C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC 587608156 PKEGBAMTIXHLIV-FXAWDEMLSA-N 440.816 4.598 50 1 IJGF CCOC(=O)[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 43834783 GMPZWTOABWNXHE-LIJSNXFBSA-N 446.540 4.515 50 1 IJGF COC(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498996 LBDMXACFJHCQGR-JOCHJYFZSA-N 429.310 4.608 50 1 IJGF CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587541948 DXMVINNLYUVEAD-IBGZPJMESA-N 443.927 4.511 50 1 IJGF N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614272 RQCAXTNATQGXEU-FXAWDEMLSA-N 442.290 4.577 50 1 IJGF COc1cccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587671787 AVCFBAQFPISUBV-ADLMAVQZSA-N 443.154 4.770 50 1 IJGF Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324292 XOTUHLCMYXLRMK-IRLDBZIGSA-N 442.284 4.763 50 1 IJGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCCCl)(c2ccc(F)c(F)c2)N1 962973196 VLSDUOWNNOGEOF-HNAYVOBHSA-N 436.232 4.758 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544446 NUNGEWQEQKCNCX-FDORUFNTSA-N 437.879 4.835 50 1 IJGF Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@](=O)c2ccc(C)cc2)cc1 1857755246 RBARXZJJNDLOFF-JPZYQRIQSA-N 427.529 4.683 50 1 IJGF Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587370693 ARLTXIKCNUSKTA-LRXVAGHRSA-N 442.899 4.940 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](CC(C)C)NC(=O)OCc1ccccc1)O2 587374626 YZVRQMHOTBQKFU-XUZZJYLKSA-N 444.959 4.861 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(Cl)c2)N1 587674261 VNGYDKHOGWNDHY-JDNHERCYSA-N 448.561 4.809 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@]3(c1c[nH]c2ccccc12)[C@H](C)Br 963051994 ZVCNDUZUMAUELF-PSLXWICFSA-N 436.353 4.897 50 1 IJGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1O 72108673 BEAVAXVGDSRQHN-LOWQCSRCSA-N 438.867 4.845 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)CC2=O 587458470 CDAKODNZZUITOD-LMKMVOKYSA-N 443.971 4.901 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(F)c2)N1 587735158 WPIJGWITFFDHHJ-QGHHPUGFSA-N 431.118 4.900 50 1 IJGF O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53297447 XUSZDSSHSMNJHP-FGZHOGPDSA-N 444.878 4.627 50 1 IJGF O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)cc(Br)c1 1857562430 JODOURVZKNXFEM-UFFVCSGVSA-N 448.114 4.834 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587684528 KVZVRXKLRZASAL-JEOXALJRSA-N 425.729 4.563 50 1 IJGF CN1Cc2cc([C@]3(CCl)c4ccsc4CCN3Cc3cccnc3)ccc2NC1=O 963020037 ZLGFNPMUONIIBX-HSZRJFAPSA-N 438.984 4.661 50 1 IJGF O=N[C@@H](Cc1cccc(Br)c1)C(=O)NCCSSc1ccc(F)cc1 169717442 FGLOVUWIGZARCE-INIZCTEOSA-N 443.363 4.822 50 1 IJGF O=C1C[C@](CBr)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587501313 XAHHTKMLVGBGKZ-QFIPXVFZSA-N 429.310 4.592 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)cc2)N1 587673782 PXCGZWNZVZFCIM-BBATYDOGSA-N 438.138 4.633 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 587683748 HXFWGWRUIUJEAH-WLRWDXFRSA-N 425.729 4.563 50 1 IJGF N#CC1=C(N)Oc2ccc(Br)cc2[C@H]1CC(=O)c1ccc(Br)cc1 1857772867 SXPZBIMBIXKOAP-CYBMUJFWSA-N 448.114 4.654 50 1 IJGF C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@](C)(O)[C@@H](I)C[C@@H]12 31898208 RCJSCMFZUGPPHB-OOHIBBTGSA-N 444.353 4.886 50 1 IJGF NNC(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587063875 BHCQWNZUGQJIIV-UHFFFAOYSA-N 445.910 4.521 50 1 IJGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1c(Cl)cccc1Cl 1772650852 IPZXFJCZEPFHMR-KRWDZBQOSA-N 434.286 4.890 50 1 IJGF Cc1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c2cc(Br)ccc2n1 103229982 HHAZHPCYQNVQQE-WYMPLXKRSA-N 434.293 4.928 50 1 IJGF O=C(Nc1ccccc1)[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1 195131734 YKLHIJUKFPPHIK-DEOSSOPVSA-N 444.340 4.580 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)oc3c2)[C@@H]1c1ccc(F)cc1 587325474 FYUPBNQNACVYAJ-OFNKIYASSA-N 439.826 4.871 50 1 IJGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccccc4N[C@@]32C[C@@H]1Cl 2356500215 RIOWJYUGPBYKPY-UFAGZECESA-N 447.764 4.570 50 1 IJGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)s1 43063092 JBQALZLXSXHJCM-QZTJIDSGSA-N 444.347 4.593 50 1 IJGF CN1C(=O)CCc2cc([C@]3(CCl)c4cccc(F)c4CCN3[C@H]3CCSC3)ccc21 962709050 NDAHJHWMKQWLFZ-MHECFPHRSA-N 445.003 4.581 50 1 IJGF COc1ccc([C@H]2C(C#N)=C(NC(=O)c3ccccc3)Nc3n[nH]c(-c4ccccc4)c32)cc1 1857656340 YNCMRCFYUFTNHK-QFIPXVFZSA-N 447.498 4.808 50 1 IJGF C[C@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546404 WLZNYZIOZZFIEA-XUZZJYLKSA-N 437.879 4.837 50 1 IJGF Cc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587699503 QMHLVYKMVQAGMB-GIPWTMENSA-N 436.708 4.803 50 1 IJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccco1 17526821 BBSHZPYAXKTUPY-DVSFFSCISA-N 435.505 4.917 50 1 IJGF CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O)OO 535385351 MGJLNRAMOCXZAS-BPVVGZHASA-N 443.606 4.604 50 1 IJGF in-vitro Cc1cc(/C=C(/C#N)c2nc3c(O)nc(O)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056733 RBPILEBYBONDOJ-GHXNOFRVSA-N 441.278 4.543 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1nccc2ccccc12 963067119 NKKHVBBBZVWYJQ-QHCPKHFHSA-N 434.337 4.576 50 1 IJGF CC1=CC(=O)[C@@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 2356795352 LWXMAZNFOVICMW-SAFZEOACSA-N 426.576 4.573 50 1 IJGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@H]1C(=O)c2cccc4cccc1c24)CC3 1857639085 QBEFZHRIDMPJJN-YWEHKCAJSA-N 429.479 4.702 50 1 IJGF COC(=O)c1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500046 PVOVLUFNYPVZHE-QFIPXVFZSA-N 429.310 4.608 50 1 IJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587681887 LOCMVLJLSRZGKL-WVDJIFEKSA-N 435.724 4.921 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724641 KQNGVCQXKRQAAY-DGIBIBHMSA-N 443.719 4.702 50 1 IJGF COc1cc2c3c(c1)O[C@@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O 587424638 QNYKNDUUKZXMAR-NRKGENKXSA-N 441.243 4.625 50 1 IJGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498911 JZFXRGHJHFFNJJ-QFIPXVFZSA-N 431.326 4.838 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 587686457 CUEVVDYDJTTXJH-HTGLOVNISA-N 439.756 4.952 50 1 IJGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 101506049 OGMRMRYIHJURJL-IQPSGBQISA-N 434.373 4.706 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684004 IXTJKXCKWNFLGN-JEOXALJRSA-N 436.712 4.655 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587685211 OKFUUSGYMGSVEV-PWJLMRLQSA-N 429.673 4.564 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCBr)N1 587673013 JNIAVASFMKKDQE-VOJFVSQTSA-N 443.154 4.986 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587726748 ZJYABLLBLAPTHB-OVWNDWIMSA-N 443.719 4.702 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cccc(F)c12)c1ccccc1 36311282 DMNUFQWKNGJXEJ-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF COC(=O)c1ccc([C@H](C)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 43427309 GEJRUAFBQGUAGN-XAQNONQDSA-N 446.540 4.759 50 1 IJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OC2(c1ccccc1)c1ccccc1 49767482 XLSYJZPQBBHHPO-UHFFFAOYSA-N 430.460 4.902 50 1 IJGF C[C@H]1C[C@@H](O)[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@](C)(C[C@@H](O)C[C@@]3(C)CO)[C@@H]2C1 195413346 DVPJVCBNVYOUHP-DULNGNAOSA-N 426.714 4.580 50 1 IJGF COc1ccc2c([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587542607 HULOTWKTPBIGGT-URXFXBBRSA-N 435.863 4.978 50 1 IJGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1c(Cl)cccc1Cl 1772650853 IPZXFJCZEPFHMR-QGZVFWFLSA-N 434.286 4.890 50 1 IJGF O=C(CSc1nc2ccc(NC(=O)CCl)cc2s1)NCc1ccc(Cl)cc1 66080224 HYPOQUMEAGQLPA-UHFFFAOYSA-N 440.377 4.536 50 1 IJGF CCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC 103201045 XGVHTPMERNGCBM-SELCWUDQSA-N 440.502 4.979 50 1 IJGF CCOc1ccc(C(=O)N(NC(=O)c2ccc3c(c2Cl)CCCO3)C(C)(C)C)cc1 29037310 ZKMQOWZZVSBEKS-UHFFFAOYSA-N 430.932 4.649 50 1 IJGF C[C@]1(c2cccc(CBr)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695917 CPHAAGSKVBEECP-SJLPKXTDSA-N 446.238 4.602 50 1 IJGF NC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326537 LUSYRZWFROYGFL-OFNKIYASSA-N 440.858 4.515 50 1 IJGF CCOc1cc2ncnc(Nc3cccc(C(=O)CBr)c3)c2cc1OCC 13490786 QHFFNABKVAXQOT-UHFFFAOYSA-N 430.302 4.748 50 1 IJGF CS/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 49783785 LNSKAYWQVBSLKB-NJNXFGOHSA-N 439.496 4.611 50 1 IJGF Cc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587538092 NFTFJFTYAZQGDF-SIKLNZKXSA-N 425.278 4.953 50 1 IJGF Cc1[nH]nc2c1[C@@](c1cc(-c3cccnc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772588611 HAYCFQKOYRVMTN-JOCHJYFZSA-N 439.441 4.827 50 1 IJGF O=C(NN=C(c1ccccc1)c1cc2ccccc2[nH]1)c1cc(Br)ccc1O 261108247 HSLNFBOSJACNKR-UHFFFAOYSA-N 434.293 4.818 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)c(F)c1)O2 587382437 RGNRNVZMHSDJGV-QGZVFWFLSA-N 443.110 4.734 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1F 587559339 WKOTYAFWENTMFH-GHTZIAJQSA-N 447.231 4.922 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)s2)N1 587849187 REZMAGYDIYWIQA-FVMDXXJSSA-N 444.167 4.694 50 1 IJGF COc1ccc(C)cc1[C@@]1(CBr)c2cccc(Br)c2CCN1C 963290071 SPFCNHREAXVMOP-LJQANCHMSA-N 439.191 4.893 50 1 IJGF CCOC(=O)NNc1nc(-c2ccccc2)nc2c1[C@@H]1CCCN1C(=O)N2c1ccccc1 45260576 BDCVYHAKQHVLCG-SFHVURJKSA-N 444.495 4.625 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C(=O)OC)c(C)n(C3CC3)c1C)CC2=O 587461849 ZSVMVVYXIBLWPA-XMMPIXPASA-N 445.943 4.984 50 1 IJGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc([N+](=O)[O-])c(OC)c1 963237676 YQVFOVYKXBHWMC-QVKFZJNVSA-N 433.346 4.899 50 1 IJGF COc1ccc2cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)ccc2c1Cl 963473177 RXXFNRVGEAQHKS-MBSDFSHPSA-N 446.330 4.597 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(=O)OCC)cc1)CC2=O 587455679 FCFYTNPOQBESNH-QFIPXVFZSA-N 447.325 4.777 50 1 IJGF COc1ccc2c([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587542603 HULOTWKTPBIGGT-QPPBQGQZSA-N 435.863 4.978 50 1 IJGF COc1cc(Br)cc2c1OC(N)=C(C#N)[C@@H]2CC(=O)c1ccc(Cl)cc1 1857774871 LJIONYINPMKNCE-CYBMUJFWSA-N 433.689 4.554 50 1 IJGF N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccccc1F 32693810 CZELQGNDBKMVQU-UUHKXZRCSA-N 429.495 4.678 50 3 IJGF aggregator O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc2ccccc2c1O 95809025 CHIQGAUJJMNWHB-YZSQISJMSA-N 433.508 4.680 50 1 IJGF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586945651 KOJIYJTUOMSQHC-UHFFFAOYSA-N 431.408 4.838 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C)ccc1OC(F)F)O2 587383195 RNVBJAWSHGPTGP-LJQANCHMSA-N 426.257 4.743 50 1 IJGF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCCCCCCCC(=O)NN 587870680 PGPLLGKNUSDSAW-UHFFFAOYSA-N 432.540 4.619 50 1 IJGF COc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673510 NNZPRGXXDXVKNI-BBATYDOGSA-N 443.154 4.770 50 1 IJGF CCn1c(C)cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1C 963179405 KLSDEQKRPRYBEI-HNAYVOBHSA-N 449.300 4.878 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(CBr)cc1)O2 587378955 XNLOMEWXIZMKLE-GOSISDBHSA-N 439.147 4.728 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195318630 FRINQRNKFUDCAA-ZBEGDWFMSA-N 448.644 4.705 50 1 IJGF CC(C)c1cc(C(C)C)c(S(=O)(=O)ON2C(=O)C[C@@H]2CBr)c(C(C)C)c1 473113677 JXCGKZBZJXAXRJ-OAHLLOKOSA-N 446.407 4.673 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2O)N1 587731794 ZZESMZMHNQUGLP-HUTHGQBESA-N 447.117 4.606 50 1 IJGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324973 WAEPLVFMZWGMKG-BKULYWANSA-N 440.854 4.782 50 1 IJGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCCCl)(c2ccc(F)c(F)c2)N1 962973197 VLSDUOWNNOGEOF-KXBFYZLASA-N 436.232 4.758 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@@]3(c1c[nH]c2ccccc12)[C@@H](C)Br 963051998 ZVCNDUZUMAUELF-QKFKETGDSA-N 436.353 4.897 50 1 IJGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc3ccccc23)c1 13779091 GJNBBUANUDPABU-UHFFFAOYSA-N 435.487 4.996 50 1 IJGF Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(=O)N/N=C/c3ccc(F)cc3)c12 1857628107 MBHQFXWLYANOHT-KKMKTNMSSA-N 441.388 4.651 50 1 IJGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(Br)c(Br)[nH]1 169702852 ZAHBZNAOZGAQGE-YAXRCOADSA-N 439.922 4.610 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O 587417258 KNMBBKHTYBOZSX-RZMRESFYSA-N 447.918 4.952 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)CC2=O 587458466 CDAKODNZZUITOD-CPJLOUKISA-N 443.971 4.901 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)CC2=O 587458472 CDAKODNZZUITOD-PUAOIOHZSA-N 443.971 4.901 50 1 IJGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545937 TVWNNQSGSFXUEZ-YKSBVNFPSA-N 439.895 4.890 50 1 IJGF CN1CC[C@@]23c4c5ccc(O[Si](C)(C)C)c4O[C@@H]2[C@@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C5 2356807321 WGFFZYSWLVJOLB-CIURTSOKSA-N 429.709 4.565 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H](C)Br)O2 587375948 WCEMSBKVGHPWON-ZMZPIMSZSA-N 439.147 4.984 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(OC)cccc1OC)CC2=O 587456042 JFNAGHXJJKAEBK-NRFANRHFSA-N 435.314 4.618 50 1 IJGF O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498218 FZQWIHDIAWGQAE-UGKGYDQZSA-N 429.310 4.664 50 1 IJGF C[C@@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547367 ZQVFWPBKFHXNDH-URXFXBBRSA-N 437.879 4.837 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Br)ccc1F)O2 587381081 GFLUDOXKQKGREV-KRWDZBQOSA-N 443.110 4.734 50 1 IJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2c[nH]c3ccccc23)N1 963192264 ZYJMXCQQRHFQPX-HNAYVOBHSA-N 443.252 4.921 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CBr)c1F 587893760 BWGPRZLKGANWJU-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF C[C@]1([C@@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321805 FJCARWUYMHSSBS-SSPYTLHUSA-N 439.870 4.895 50 1 IJGF COc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673511 NNZPRGXXDXVKNI-VOJFVSQTSA-N 443.154 4.770 50 1 IJGF C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)OC/C=C/c1ccccc1 140064583 FDPBKGIKXYISBY-NLWSAOBPSA-N 442.577 4.838 50 1 IJGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccccc2)N1 963176318 HKMZCRDERDITFC-WBVHZDCISA-N 448.666 4.596 50 1 IJGF CC(C=CC=O)=CC=CC(C)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 2356442111 OOLFHQKWNFLQEI-JRMZZVOVSA-N 440.580 4.818 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)O2 587371468 FSCQVJHTUYLNPP-DEOSSOPVSA-N 438.911 4.813 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)Cc1ccccc1 587537734 JVIJBNNADJZPAT-SIKLNZKXSA-N 425.278 4.730 50 1 IJGF CCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682495 COLDZPKMXUJIEX-ODXCJYRJSA-N 439.756 4.953 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195343813 JIYDMMUJCNTFKM-DSJYKXFASA-N 448.644 4.849 50 1 IJGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587685736 AYNYDFMDVHSMPN-NSPYISDASA-N 428.729 4.622 50 1 IJGF COc1ccc(OC)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587689149 QCINIEMYWFIOKW-WYRIXSBYSA-N 428.729 4.622 50 1 IJGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)cc1 1857645382 YIHQELRERWHSBK-UKPGIYTDSA-N 431.492 4.513 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)[C@@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 195342793 DFBXOAXDWYYGMV-PSZUEASSSA-N 448.400 4.747 50 1 IJGF CC(C)(Cl)[C@H](Br)C[C@@H](Br)[C@@](C)(O)C=CBr 2356487938 SACBKXSNWDAOPS-MRTMQBJTSA-N 427.402 4.581 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587687314 FYVYLAQABTUSHP-FRGNPEFRSA-N 447.776 4.566 50 1 IJGF C=C(c1ccc(C)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84652847 CLKAXKANCYCZRW-PXDATVDWSA-N 436.460 4.646 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Br)([C@@H](C)Br)O2 587372018 HCDZJEWXCNIRJU-ADLMAVQZSA-N 439.147 4.984 50 1 IJGF CCCn1nc(-c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1C(=O)NN 73141036 IOWRTOAURASTQB-UHFFFAOYSA-N 442.350 4.873 50 1 IJGF COc1ccc(C(=O)CCC[C@@H]2OO[C@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 137758865 OOWSTJBJUKGZDR-VXNXHJTFSA-N 444.480 4.673 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Br)c(F)c2[nH]1 587009369 BXYQAOKMIKAMPR-HNNXBMFYSA-N 449.711 4.585 50 1 IJGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)o1 1772620003 VXTJOSIEXSDHDR-AFUMVMLFSA-N 432.867 4.830 50 1 IJGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@H]1c1cccc(F)c1 1911580628 TYNHTWWFNFXUHE-OAQYLSRUSA-N 426.403 4.523 50 1 IJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H]1CC=C[C@@H](C3=O)[C@@]412 2356350952 NBRWFTRZAMRYHY-XNSGUQOKSA-N 431.671 4.671 50 1 IJGF COc1ccc(OC)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689782 WDQJBGPZCRWJGQ-JEOXALJRSA-N 428.729 4.622 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1C(=O)OCC)CC2=O 587456095 KNIZWYFDIVVUTM-QFIPXVFZSA-N 447.325 4.777 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)CC2=O 587459053 MOJKSBZBTBQTLJ-IZHWHUGBSA-N 429.944 4.511 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(-c2noc(CCl)n2)c1 587897658 NTFDUUWXASNIEF-UHFFFAOYSA-N 440.739 4.554 50 1 IJGF Cc1cccc(-n2c(C)cc([C@]3(CCl)NC[C@H]4CC(=O)N(C)c5cccc3c54)c2C)c1 963032893 UDOXSRNJKNWJMN-NIYFSFCBSA-N 433.983 4.938 50 1 IJGF C=CC(C)=CC[C@]1(C)[C@H](C)C[C@H](OC)[C@]2(C=O)C(C=O)=C[C@H](OC(=O)[C@@H](C)CC)C[C@@H]21 2356511808 IIENMWMYMSMVQK-PTWDDBSUSA-N 430.585 4.858 50 1 IJGF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCCCCBr)[nH]c21 103264511 DOPJRCDXVURKBC-UHFFFAOYSA-N 429.339 4.996 50 1 IJGF COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532272 PFFZGYPXNFBVPJ-FQEVSTJZSA-N 435.339 4.669 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)s2)N1 587845296 DOEMFPMNUTZTGQ-ABKXIKBNSA-N 444.167 4.694 50 1 IJGF Cn1c(O)cc2cc([C@]3(CBr)NCCc4c(Cl)cc(Cl)cc43)ccc21 963126185 VIVYEUURHFDWMK-IBGZPJMESA-N 440.168 4.975 50 1 IJGF Cn1c(/C(=N\NC(=O)c2cc(Br)ccc2O)C(C)(C)C)cc2ccccc21 95559312 FBWYHENYSPHMSQ-FCDQGJHFSA-N 428.330 4.827 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587329113 XDTAIVIYUIKAHV-ISKFKSNPSA-N 439.870 4.983 50 1 IJGF C[C@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547369 ZQVFWPBKFHXNDH-ZJSXRUAMSA-N 437.879 4.837 50 1 IJGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)NCCc2cc3cccc(OC)c3nc21 963054583 IIBGBLLKFNOUEV-NZQKXSOJSA-N 441.369 4.815 50 1 IJGF C[C@]12CCC(=O)C[C@@H]1C[C@@H](I)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 13652398 KUWGGCHFCHNDKP-MWXZWYKKSA-N 430.370 4.763 50 1 IJGF Cc1ccc([C@@]2([C@H](Br)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499723 OOGHTWMGKZFPHD-NFBKMPQASA-N 443.337 4.973 50 1 IJGF O=C(N/N=C/c1ccc(/C=C/C(=O)c2ccccc2Br)cc1)c1ccncc1 1772644040 WQWMBIXXJQLUDP-XFKZWWPLSA-N 434.293 4.504 50 1 IJGF N#Cc1ccc(COc2cccc(/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)c2)cc1 1857744481 MURDFMDVSIPIBS-FJEPWZHXSA-N 445.482 4.931 50 1 IJGF Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587754848 LHBWUUHVYMCAAW-YCCICORLSA-N 428.349 4.644 50 1 IJGF C/C(=N\NC(=O)c1cccc(/N=N/[C@@H](C)c2cc(O)ccc2O)c1)c1cc(O)ccc1O 169688569 GOQLWROMRNGESH-RCMCYVAZSA-N 434.452 4.508 50 1 IJGF C[C@@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328614 VGORGEWOJXQQIB-VWNXMTODSA-N 439.870 4.983 50 1 IJGF COc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587499485 NMSVEOMWBRMGMR-NRFANRHFSA-N 446.297 4.738 50 1 IJGF N#Cc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587538327 PBQJEDYKBWXZST-SIKLNZKXSA-N 436.261 4.516 50 1 IJGF O=C(Cn1c(C2CC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cc(Cl)ccc1O 1772590724 TYFFHKIKNLPXHK-LIMNOBDPSA-N 437.714 4.730 50 1 IJGF O=C(/C=C/c1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1cccc(Br)c1 1772616441 YHHMEKQIWLOOQP-FPXYSFAISA-N 434.293 4.504 50 1 IJGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cccnc1 45339727 ZZTIQJCZOPGNFV-KBKYJPHKSA-N 433.821 4.965 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(NC(C)=O)cc1)CC2=O 587456844 SMNIQXJZNVLQNF-OAQYLSRUSA-N 432.314 4.559 50 1 IJGF C=CC(C)=CC[C@]1(C)[C@H](C)C[C@H](OC)[C@]2(C=O)C(C=O)=C[C@H](OC(=O)[C@H](C)CC)C[C@@H]21 2356511803 IIENMWMYMSMVQK-AGMKUPDVSA-N 430.585 4.858 50 1 IJGF COc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(F)cc2)cc1 40395155 KNNREKRFXMJPGQ-HDQOQCMRSA-N 440.478 4.711 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCBr)cc1 587874531 AHNOYWVKWJEQGO-UHFFFAOYSA-N 425.153 4.641 50 1 IJGF C[C@H]1C=CC[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 299813807 OHWBWBOWCXAQRI-XANYCFDKSA-N 426.576 4.702 50 1 IJGF N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccc(Br)cc2)[C@@H]2CCCC=C12 169348691 YWLJZQSCQPRJAW-QATBIIFWSA-N 446.348 4.899 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(O)c2)[C@H]1c1ccc(F)cc1 587320171 FACVTQRBWAUQQZ-UNMCSNQZSA-N 443.268 4.886 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](Br)CC(=O)O)CC2=O 587449987 CTURUEZUEOOPHJ-KNQAVFIVSA-N 447.325 4.752 50 1 IJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587672407 FSXHROZUBSHMLZ-VOJFVSQTSA-N 443.154 4.770 50 1 IJGF CCOP(=O)(C[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC 587852306 ZTSDNWHLEZFORG-BDJLRTHQSA-N 442.693 4.823 50 1 IJGF O=C1OCCN1c1ccc([C@]2(CCl)c3ccsc3CCN2Cc2cccnc2)cc1 962999368 QXHFECPPNLLGRH-HSZRJFAPSA-N 439.968 4.640 50 1 IJGF C[C@@H]1CC=C[C@H](Br)[C@H]2C[C@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 2356613786 YLTAXFWQNWJZMS-IJCQKZHJSA-N 426.576 4.702 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(COc2ccccc2)N1 587672970 JGPHMMKMFZXHPR-KZULUSFZSA-N 443.154 4.792 50 1 IJGF O=C([C@H]1Cc2ccccc2[C@](CBr)(C2(c3ccccc3)CC2)N1)C(F)(F)F 962727650 ACBHJWNVPBSSSR-YLJYHZDGSA-N 438.287 4.654 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@H]2Br 587677989 BUIFYSZIGJRMBS-AQQIJUCISA-N 425.139 4.686 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684742 LXEWZTFWZUOYHM-WLRWDXFRSA-N 436.712 4.655 50 1 IJGF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@]1(CCBr)C(=O)OCC)CC2=O 587455603 DNROSCYZITWNLV-RTWAWAEBSA-N 439.346 4.567 50 1 IJGF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)[C@H](C)Cl)cc1C2=O 1857604351 NIDCENLSQSHNBF-ZDUSSCGKSA-N 429.900 4.605 50 1 IJGF COc1ccc([C@]2(CCCCCCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1OC 962923654 IWVCRMUVWXJJOZ-VWLOTQADSA-N 445.003 4.594 50 1 IJGF CCCCOC(=O)c1cccc2nc3c(NC(=O)CCCCl)c([N+](=O)[O-])ccc3nc12 103221467 WLNLQHJOZDWZQF-UHFFFAOYSA-N 444.875 4.606 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587327880 SDABQJQITMHMBH-UPVQGACJSA-N 440.854 4.796 50 1 IJGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@H]1C(=O)c2cccc4cccc1c24)CC3 1857639083 QBEFZHRIDMPJJN-UFHPHHKVSA-N 429.479 4.702 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 36311314 RGNCPSDGVFCBLX-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF CC(C)(Cl)[C@H](Br)C[C@H](Br)[C@@](C)(O)/C=C/Br 145296745 SACBKXSNWDAOPS-FWWPZPIUSA-N 427.402 4.581 50 1 IJGF CC(=O)Oc1ccc(C[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587688250 KBKYTWSMJPZFJP-MPBGBICISA-N 440.740 4.725 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@@H](C)Cl)CC2=O 587460602 UTGYTDMYVSSOQJ-FATZIPQQSA-N 433.932 4.954 50 1 IJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H]1CC=C[C@H](C3=O)[C@@]412 2356350950 NBRWFTRZAMRYHY-NXUUXEINSA-N 431.671 4.671 50 1 IJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CCCCl)(c3ccccc3F)N12 962666282 MWTXSXLKOCVOKB-RPWUZVMVSA-N 426.919 4.735 50 1 IJGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccccc2)N1 963176317 HKMZCRDERDITFC-RDJZCZTQSA-N 448.666 4.596 50 1 IJGF CN1CC[C@@]23c4c5ccc(O[Si](C)(C)C)c4O[C@@H]2[C@H](O[Si](C)(C)C)C=C[C@H]3[C@H]1C5 2356807322 WGFFZYSWLVJOLB-IEYZSLPESA-N 429.709 4.565 50 1 IJGF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)[C@H](Cl)CC)cc1C2=O 1857577468 DJUIXFRXVWIMMI-QGZVFWFLSA-N 443.927 4.996 50 1 IJGF C[C@H]1C/C=C\[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 238738062 YLTAXFWQNWJZMS-FSTQPLEXSA-N 426.576 4.702 50 1 IJGF COCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587546215 UYRQQVOQHHASCZ-URXFXBBRSA-N 441.911 4.553 50 1 IJGF Cc1ccc(N(C(=O)CCl)S(=O)(=O)c2c(Cl)sc(Cl)c2Cl)cc1 53299096 QUIGYAWKDRZEFL-UHFFFAOYSA-N 433.165 4.977 50 1 IJGF COC(=O)c1cccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587329461 XWBPVIWCKMYADL-URXFXBBRSA-N 440.854 4.811 50 1 IJGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546916 YWNGHBNQDXXGAF-DRPSWDKDSA-N 438.863 4.504 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(F)c1 587557654 OFUDBKUQLYFRMU-GHTZIAJQSA-N 447.231 4.922 50 1 IJGF N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53229535 HFMNTLQZOFMARH-SQNFLYNLSA-N 439.563 4.800 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O 587414173 UFHSLRUMZUZDNU-WMZHIEFXSA-N 442.353 4.723 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2O)N1 587730050 IFFPBMFXBIZYIA-VVVCHXIZSA-N 447.117 4.606 50 1 IJGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl 1857586466 AKIQZJQTKFUHRT-KGLIPLIRSA-N 441.727 4.831 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689108 PNXLKQXKZDDTAI-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587689842 XBEHLLAOWHMXSK-FKANQGBASA-N 439.756 4.952 50 1 IJGF Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587754846 LHBWUUHVYMCAAW-WHDNHSQCSA-N 428.349 4.644 50 1 IJGF O=C(Cl)/C=C/c1ccc(/C=C\C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587274060 RWRBMDUTXKVCSS-CGXWXWIYSA-N 446.684 4.757 50 1 IJGF NC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326532 LUSYRZWFROYGFL-NFBKMPQASA-N 440.858 4.515 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)OCCCO3)CC2=O 587456309 MXALRGCIOVCMLN-QFIPXVFZSA-N 447.325 4.762 50 1 IJGF COc1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674500 XCHPZJHLHHXANE-ZMZPIMSZSA-N 443.154 4.770 50 1 IJGF COc1cccc(COC2=COC(CCl)=C[C@]23CC(=O)c2cc(C)cc(N)c2O3)c1 587377706 XOJOIVQRQYZTHF-QHCPKHFHSA-N 427.884 4.501 50 1 IJGF CC(=O)N1CCc2sc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C1 587536587 WXTAYMGLRGNJBN-HSZRJFAPSA-N 429.969 4.631 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(Cc2ccccc2)N1 587673359 MHDWSKHKXYTDHZ-KPZWWZAWSA-N 427.155 4.955 50 1 IJGF CN1C(=O)CCc2cc([C@]3(CCl)c4cccc(F)c4CCN3[C@@H]3CCSC3)ccc21 962707046 NDAHJHWMKQWLFZ-HOYKHHGWSA-N 445.003 4.581 50 1 IJGF CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C 254133035 RYKORZWQHYKBAL-UHFFFAOYSA-N 436.309 4.954 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587542231 GHFINIVTDKJMLS-OSZRXVRWSA-N 437.879 4.835 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689109 PNXLKQXKZDDTAI-XAAFQQQXSA-N 439.756 4.952 50 1 IJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(CBr)CC[C@H]1CCCO1 962717612 QKGFSXIVLLXQRE-QINHECLXSA-N 428.411 4.739 50 1 IJGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc(Cl)c(Cl)c1 1772625301 HTMNMHIFUPOACL-GOSISDBHSA-N 434.286 4.890 50 1 IJGF O=C(CSc1nc2ccccc2o1)N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1Cl 95590380 GBWOJOGFZOAKOU-GZIVZEMBSA-N 446.319 4.767 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541671 CTUXDXAFEYOOML-WMZHIEFXSA-N 425.868 4.636 50 1 IJGF COc1ccc2c(c1OC)[C@](c1cc(F)ccc1F)([C@@H](C)Br)N(C)[C@@H](C)C2 962627211 GRJHTODYBNUTRF-OSRJUQGESA-N 440.328 4.885 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](Br)CC(=O)O)CC2=O 587449992 CTURUEZUEOOPHJ-UGKGYDQZSA-N 447.325 4.752 50 1 IJGF CC1(C)CN2c3cc(Br)cc(c31)[C@@]21c2ccccc2OC[C@H]1Br 963069686 AUUNPCLRHNNOBL-VQIMIIECSA-N 435.159 4.960 50 1 IJGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 1857555818 BRTRAGNUCSASII-DEOSSOPVSA-N 444.498 4.738 50 1 IJGF COc1ccc(-c2nc3cc(/C(C)=N/NC(N)=O)ccc3n2C2CCCCC2)c(OC)c1 84708215 YBJZAYDKPPRGKH-JFLMPSFJSA-N 435.528 4.618 50 1 IJGF N#Cc1ccc2c(C(=O)[C@H](Br)CC[C@H](Br)C(=O)Cl)coc2c1 587277980 BXTSYVUVCXPPMJ-NEPJUHHUSA-N 447.510 4.560 50 1 IJGF C[C@H]1/C=C/C[C@H](Br)[C@H]2C[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 238750885 OHWBWBOWCXAQRI-NOXSFSBKSA-N 426.576 4.702 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)O2 587372556 JRZKUAGLZLCKGT-DENIHFKCSA-N 445.357 4.816 50 1 IJGF Cc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587538091 NFTFJFTYAZQGDF-KNQAVFIVSA-N 425.278 4.953 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)cc1 587538958 SMZVLRYGOXENOJ-UGKGYDQZSA-N 441.277 4.869 50 1 IJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546857 YJUUPNODIPIXQO-GBXCKJPGSA-N 433.847 4.804 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCl)N1 587684575 LCSGVUNXDKHCCV-YUNKPMOVSA-N 439.756 4.953 50 1 IJGF CN1C(=O)CCc2cc([C@@]3(CCl)c4cccc(F)c4CCN3[C@@H]3CCSC3)ccc21 962709047 NDAHJHWMKQWLFZ-KOSHJBKYSA-N 445.003 4.581 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)[C@H]1CCCOC1 963187833 JNTOKIMEZXCSID-MDNUFGMLSA-N 425.370 4.826 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(F)c1 587571748 PIFDUNJBEAVKCM-RXVVDRJESA-N 447.231 4.922 50 1 IJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1c[nH]c2ccccc12 84617704 GLMBLYJZEORPDP-DICXZTSXSA-N 439.544 4.960 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCBr)c2)N1 587673106 KJOZTPFOXLNBNJ-ZMZPIMSZSA-N 443.154 4.986 50 1 IJGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962951677 OTKRWBRKQUTFCG-NIJIEXERSA-N 441.369 4.662 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C#N)c2)N1 587673696 PKLBPUAGWSSVGA-BBATYDOGSA-N 438.138 4.633 50 1 IJGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CC(CCl)C2)N1C(=O)c1ccc(Cl)cc1 963020340 PIJSTFGQFWMZLW-XIFFFAMTSA-N 443.330 4.817 50 1 IJGF O=C(CNc1cccc2ccccc12)N/N=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1 61695534 NCONQZSJSJJAMU-QUSRAMFLSA-N 439.471 4.614 50 1 IJGF COc1cc2c3c(c1)OC1([C@@H](C2)C3=O)C(CCl)(CCl)CCC1(CCl)CCl 587424349 ZMPWBSAKNILDGH-ZDUSSCGKSA-N 438.178 4.903 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCl)N1 587686369 UOWABCOLNPSVKN-WYRIXSBYSA-N 425.729 4.563 50 1 IJGF COc1ccc(/C=C/C(=O)C(/C=C/C#N)=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 101052047 IMXYKPVLVVFRIC-MPLYEGSFSA-N 447.487 4.909 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195343823 JIYDMMUJCNTFKM-KTTJTLKQSA-N 448.644 4.849 50 1 IJGF COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587416534 AXDUNMVESPNPRR-BWKNWUBXSA-N 437.923 4.993 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587684710 LSRIZYFTHYULGJ-PRWKNARSSA-N 437.740 4.802 50 1 IJGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccccc2)N1 963175760 HKMZCRDERDITFC-NVXWUHKLSA-N 448.666 4.596 50 1 IJGF COC(=O)Cc1ccc(OCCN(C)C(=O)CCCC[C@@H]2CCSS2)c(Cl)c1 35849866 ZUMKEIUVSNMAEB-MRXNPFEDSA-N 446.034 4.607 50 1 IJGF O=C(CBr)c1ccc(Oc2ccc(C(=O)C[n+]3ccccc3Cl)cc2)cc1 36382683 XKBMSLFVLJOHAS-UHFFFAOYSA-N 445.720 4.880 50 1 IJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1c(O)ccc2ccccc12 95808471 TXRJXQZGDNMWFJ-YZSQISJMSA-N 433.508 4.680 50 1 IJGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(C(C)(C)C)cc2)no1)C(C)C 103220929 GORIHHYXLXJJEC-LNVKXUELSA-N 439.556 4.742 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195521702 JIYDMMUJCNTFKM-MJQZTPGFSA-N 448.644 4.849 50 1 IJGF C=C(C)[C@@H](Cc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)CCC(C)(C)O2)OO 2356786003 YMKGTIBFPRPVFB-LJQANCHMSA-N 438.476 4.952 50 1 IJGF CCSc1nc(N2C[C@H](C)O[C@@H](C)C2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 169354207 QIMYRQJTAQJYHJ-MPGHIAIKSA-N 431.993 4.532 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1Br)O2 587370347 AJRDKSLDZZDABS-QGZVFWFLSA-N 425.120 4.595 50 1 IJGF COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587542302 GLMCNZVMPFHYOY-NZQKXSOJSA-N 426.852 4.505 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(COc2ccccc2)N1 587672969 JGPHMMKMFZXHPR-KPZWWZAWSA-N 443.154 4.792 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587684077 KFYQFGZDEQEKEK-HOGDKLEQSA-N 427.745 4.752 50 1 IJGF ClCC[C@@]1(c2ccc3c(c2)OCCO3)NC2(CC2)Cc2ccc(Br)cc21 961614276 KFZLKSCYUGMAJO-NRFANRHFSA-N 434.761 4.771 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1ccc(F)cc1Cl 963062104 WFOXDHPRUNKXJE-HXUWFJFHSA-N 435.724 4.820 50 1 IJGF C[C@@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 13609012 BDJNCLBYFBBFQM-GOSISDBHSA-N 437.468 4.793 50 1 IJGF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1 586936844 VKSPOGKVHVRCQL-UHFFFAOYSA-N 430.424 4.902 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)O2 587412288 ABQBATBMBMZKFZ-QFIPXVFZSA-N 443.956 4.862 50 1 IJGF Cc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587699497 QMHLVYKMVQAGMB-BIBXISHDSA-N 436.708 4.803 50 1 IJGF CN(C=O)c1ccc([C@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1 963191786 HYTZILMTZLTEBC-IZZNHLLZSA-N 429.951 4.885 50 1 IJGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCc1ccc(F)cc1 72117011 DJNWJVDIGUJNGW-UHFFFAOYSA-N 445.531 4.781 50 1 IJGF CC(C)C[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 102193957 DKYWDJRYWSGSCA-GFKXBMRISA-N 448.644 4.705 50 1 IJGF C[C@H]1CC[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774956 GCRLFKLFWHJFBG-XMLDOQAMSA-N 433.687 4.910 50 1 IJGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](C(=O)O)N2 13151894 HFXTYQITEZRVMW-OJRASUONSA-N 446.912 4.548 50 1 IJGF Nc1ncnc2c1c(-c1ccc(Br)cc1)nn2C[C@H](Cl)c1ccccc1 1857546951 FLTCIVPHJFXSOA-HNNXBMFYSA-N 428.721 4.818 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 587371495 FZFCSUJHWAVCDA-GBXCKJPGSA-N 444.959 4.656 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2O)N1 587728183 RLZVBWJGSNTQSS-XYZCENFISA-N 447.117 4.606 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)cc1OC)CC2=O 587455402 BLXCZLJFZIGMKL-OAQYLSRUSA-N 435.314 4.618 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)s1)O2 587411980 WRWGJEMVYYQRLH-HNNXBMFYSA-N 431.149 4.657 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587687407 GOVVSIDPJVBIND-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2C(=O)O)c2ccc(N(C)C)cc2)cc1 73242380 HJDNZBPKVHACFW-MBGKTMOUSA-N 429.480 4.635 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587688414 MHLZCVHUQZDTFX-MAAWUACBSA-N 447.776 4.566 50 1 IJGF Cc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@](=O)c2ccc(C)cc2)cc1 1857645882 RBARXZJJNDLOFF-WKRVVKTRSA-N 427.529 4.683 50 1 IJGF CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 29321557 MGBPLTCAPKOBMF-OAHLLOKOSA-N 433.895 4.968 50 1 IJGF COC(C)(C)[C@H](Br)c1nc2c(Br)ccc(Br)c2[nH]1 586971799 XUVGEMRHWSSAAI-SNVBAGLBSA-N 440.961 4.949 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](Br)CC(=O)O)CC2=O 587496638 YZIDJPXJOQLDFU-BEFAXECRSA-N 439.327 4.505 50 1 IJGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537519 GYIQVCKCZIREMG-DENIHFKCSA-N 441.277 4.653 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684743 LXEWZTFWZUOYHM-WYRIXSBYSA-N 436.712 4.655 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587689462 SPTWNQGELKORQL-FKANQGBASA-N 439.756 4.952 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 587700155 LVFGPQGYKXMXNW-QAGGNYDDSA-N 448.767 4.988 50 1 IJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587495944 HCFCELZIXOXYFK-ZQJQTPFGSA-N 433.342 4.554 50 1 IJGF CCOC(=O)[C@@H]1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 101507615 WHHGFGLZIMTGAT-KIJUOZEOSA-N 431.945 4.531 50 1 IJGF COc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587499489 NMSVEOMWBRMGMR-OAQYLSRUSA-N 446.297 4.738 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCCC2=O)cc1 587544809 OYROOLSPCBELDG-DHLKQENFSA-N 449.890 4.615 50 1 IJGF COc1cc(OC)c([C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(OC)c1 103190892 STKCNOWXLJDCGN-WYWVFDCBSA-N 434.529 4.635 50 1 IJGF Cn1cncc1[C@@H](NN1CCC(C#N)=C(c2cccc3ccccc23)C1)c1ccc(C#N)cc1 19172109 DJYOAYPWIWACRH-NDEPHWFRSA-N 444.542 4.722 50 1 IJGF O=P(OCc1cccs1)(N(CCCl)CCCl)N(CCCl)CCCl 43260348 ONNIUWXLEYPVOU-UHFFFAOYSA-N 442.176 4.932 50 1 IJGF Cc1cc(Br)c2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2c1 587009528 JWMMNGYTQVLCLK-KRWDZBQOSA-N 445.748 4.754 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587542230 GHFINIVTDKJMLS-KVGGTASHSA-N 437.879 4.835 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1F 587568410 LMNNDOWBMAGABK-UWJYYQICSA-N 447.231 4.922 50 1 IJGF COc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587689452 SNEKNAYLRAEEMU-FDMGOTLNSA-N 428.729 4.708 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 587691853 ABMFNBUTAVFXKH-IUPYPOTJSA-N 448.767 4.988 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)([C@@H](C)Br)CC2=O 587457444 ZNLASSRPZOOLMA-XUSGNXJCSA-N 433.298 4.718 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1F 587566939 CGYCAOUNDBTYFI-WIYYLYMNSA-N 447.231 4.922 50 1 IJGF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 587188486 UGGLIZJNKPEGPV-QGOAFFKASA-N 444.516 4.745 50 1 IJGF COc1ccc([C@@]2(CCCCCCCl)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1OC 962891447 FIRBZACOHVQOHG-YADARESESA-N 449.950 4.875 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418741 CFWYXPKPRLDWSJ-UGSOOPFHSA-N 445.206 4.891 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587683365 GQLKCPOLNVCOSH-PRWKNARSSA-N 437.740 4.802 50 1 IJGF C[C@@](O)(CSc1cccc(N=C=S)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 13581015 TWMKHPVCLNCRKT-GOSISDBHSA-N 437.468 4.793 50 1 IJGF C[C@]1(OC/C=C/c2ccccc2)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100835552 FDPBKGIKXYISBY-DJHGHUGYSA-N 442.577 4.838 50 1 IJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586973041 FGJLTOAZYWMFHS-JTQLQIEISA-N 447.276 4.903 50 1 IJGF O=C(O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587375224 LPPDNLOZPXUIAE-IRLDBZIGSA-N 446.883 4.713 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)cc1Br)O2 587385771 QALXVYUSEHRRBK-KRWDZBQOSA-N 443.110 4.734 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCBr)c2)N1 587671718 AHUVCTKUUFZRRI-ADLMAVQZSA-N 443.154 4.986 50 1 IJGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 1857555819 BRTRAGNUCSASII-XMMPIXPASA-N 444.498 4.738 50 1 IJGF CC(/C=C/C=O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 38428971 OOLFHQKWNFLQEI-CNFCMUDPSA-N 440.580 4.818 50 1 IJGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323683 MGKDNKBZGRMTCT-RRPUWOKSSA-N 434.891 4.846 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O 587453960 VPKLCNNQMJZYLQ-QKKBWIMNSA-N 442.334 4.857 50 1 IJGF N#Cc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587538326 PBQJEDYKBWXZST-KNQAVFIVSA-N 436.261 4.516 50 1 IJGF COCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688291 KTDLOEUTLLORII-ODXCJYRJSA-N 443.788 4.670 50 1 IJGF C[C@H]1/C=C/C[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 102831004 OHWBWBOWCXAQRI-DXYZULMISA-N 426.576 4.702 50 1 IJGF CC[C@H](Br)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537484 GDVFRBZHOQDXIH-JLMWRMLUSA-N 440.293 4.818 50 1 IJGF CC[C@H](Br)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537486 GDVFRBZHOQDXIH-LQBOVUBWSA-N 440.293 4.818 50 1 IJGF COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)[C@@H](C2)C3=O 587417436 MMSWHAFQZQQIBU-QMHKHESXSA-N 433.331 4.924 50 1 IJGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587685739 AYNYDFMDVHSMPN-WLRWDXFRSA-N 428.729 4.622 50 1 IJGF Cc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587697122 LWWOWUAXBDBKEX-GIPWTMENSA-N 436.708 4.803 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 43408931 FRINQRNKFUDCAA-WHCJTEILSA-N 448.644 4.705 50 1 IJGF CC1(C)OC(=O)C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)=C1N 587255145 FUWBUSFKOXJKMI-UHFFFAOYSA-N 448.211 4.988 50 1 IJGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587417555 NVKCFPQPWCNOHH-NBGIEHNGSA-N 433.891 4.829 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550514 WWIUHXMFEGXMPR-JPHXOUIMSA-N 446.890 4.872 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1F 587559342 WKOTYAFWENTMFH-WIYYLYMNSA-N 447.231 4.922 50 1 IJGF CN(C=O)c1ccc([C@@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)cc1 963191787 HYTZILMTZLTEBC-UIOOFZCWSA-N 429.951 4.885 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O 587423726 YVUPEXUDXJSWAI-SCLBCKFNSA-N 445.206 4.891 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCBr)N1 587673705 PSIWFJQLUKXQNL-VOJFVSQTSA-N 443.154 4.986 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)O2 587412261 ABQBATBMBMZKFZ-JOCHJYFZSA-N 443.956 4.862 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C(F)(F)F)ccc1F)O2 587382089 NPGSCWDDQVULES-KRWDZBQOSA-N 432.211 4.991 50 1 IJGF COc1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673512 NNZPRGXXDXVKNI-ZMZPIMSZSA-N 443.154 4.770 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587686411 UYIWLWYXSPPWHS-PWJLMRLQSA-N 429.673 4.564 50 1 IJGF Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587757477 VAMNAEYWBNZPGG-WHDNHSQCSA-N 428.349 4.644 50 1 IJGF CC(=O)O[C@@H]1C=C(C)[C@H](CBr)O[C@@]2(C)CC[C@H](Br)C(C)(C)[C@H]12 5939642 SHAOOENYDOJZIP-MDLJMBGESA-N 438.200 4.617 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 136551894 OGMRMRYIHJURJL-KLKLABOMSA-N 434.373 4.706 50 1 IJGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372812 ARVQVBBTIFZFRV-XMMPIXPASA-N 429.944 4.908 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(Cc2ccccc2)N1 587673364 MHDWSKHKXYTDHZ-XIKOKIGWSA-N 427.155 4.955 50 1 IJGF CCCCC[C@@H](C=CC=CCC=CCC=CCCCC(=O)NCCS(=O)(=O)O)OO 2356343330 MGJLNRAMOCXZAS-NRFANRHFSA-N 443.606 4.604 50 1 IJGF C1CCN(C2CCN(C3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)CC2)CC1 169321466 JHGMLKLKBREVSN-UHFFFAOYSA-N 446.632 4.638 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)O2 587382670 TUWMMHJQAGDQRL-DNVCBOLYSA-N 428.248 4.725 50 1 IJGF CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587541949 DXMVINNLYUVEAD-LJQANCHMSA-N 443.927 4.511 50 1 IJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2c[nH]c3ccccc23)N1 963192267 ZYJMXCQQRHFQPX-KXBFYZLASA-N 443.252 4.921 50 1 IJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)[C@@H](O)C[C@H]21 2356813010 CCENNDLEZKIMJZ-VGRGLZHXSA-N 444.612 4.510 50 1 IJGF CSc1nc(N2CCCCC2)c2cnn(C[C@@H](Br)c3ccccc3)c2n1 40380417 JEVRTPJBMPWIGA-MRXNPFEDSA-N 432.391 4.675 50 1 IJGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(C(=O)OC)c1 101459818 BBBMODJVEHBRHP-ZCXUNETKSA-N 434.370 4.723 50 1 IJGF CN(C)/C=C(\C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376765 QBRILOBNCNACJP-GLSGJONKSA-N 434.492 4.816 50 1 IJGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(Br)cc1F)[C@@H](C2)C3=O 587426436 NPIRCOIAEMQPRF-IFXJQAMLSA-N 425.681 4.869 50 1 IJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@H](C)C[C@H](C)CC)CC[C@@H]2C(=O)O 2356642816 VYQOUCVFZUSCOJ-DJKRZBOKSA-N 444.568 4.688 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCCNC(C)=O)cc1)CC2=O 587458628 DEXVVUZMMLQYFV-DEOSSOPVSA-N 429.944 4.513 50 1 IJGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCCCl)(c2ccc(F)c(F)c2)N1 962973193 VLSDUOWNNOGEOF-BEFAXECRSA-N 436.232 4.758 50 1 IJGF O=C(NNC(=S)Nc1ccccc1)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 103291108 FZKZOAWVTUTTEY-UHFFFAOYSA-N 447.951 4.824 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](Br)CC(=O)O)CC2=O 587496642 YZIDJPXJOQLDFU-HNAYVOBHSA-N 439.327 4.505 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCBr)c1 587538540 PLGSWRJHPUFVJV-UGKGYDQZSA-N 441.277 4.869 50 1 IJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2c[nH]c3ccccc23)N1 963192262 ZYJMXCQQRHFQPX-DNVCBOLYSA-N 443.252 4.921 50 1 IJGF CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838196 MLFYFEBGUSPTFK-MCMMXHMISA-N 430.317 4.965 50 1 IJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@@H]1O[C@H]1C5(C)C 2356480687 MKRVHEXNGFBKJC-OSDXSNNJSA-N 438.999 4.964 50 1 IJGF O=C(O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587375228 LPPDNLOZPXUIAE-UNMCSNQZSA-N 446.883 4.713 50 1 IJGF COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587416536 AXDUNMVESPNPRR-PXDATVDWSA-N 437.923 4.993 50 1 IJGF COc1ccc(Cl)cc1C#Cc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)n1 587910487 DLQOBLBJNMHSLS-SAGAUJLNSA-N 441.918 4.928 50 1 IJGF ClC1CCN(c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)CC1 1857595932 RCPZCFIEACUSLA-UHFFFAOYSA-N 429.996 4.683 50 1 IJGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774954 GCRLFKLFWHJFBG-OCAABVOHSA-N 433.687 4.910 50 1 IJGF O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1C[C@H](CCl)C3 14945621 ICEBLUKQZGYHNU-JTQLQIEISA-N 431.854 4.863 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@H](C)N3C(C)=O)CC2=O 587462324 YEYQCEQDBPPOIA-LFPIHBKWSA-N 427.928 4.742 50 1 IJGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498959 KNRVSARTIYCOKL-FGZHOGPDSA-N 435.358 4.788 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)cc2)N1 587672776 HOLDFTLMKTXORQ-ZMZPIMSZSA-N 443.154 4.986 50 1 IJGF C=C[C@@H]1C[C@@H](O)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 197977904 HEFBFOLLPTVCEL-NQHRYMMQSA-N 438.684 4.684 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)cc2)N1 587672773 HOLDFTLMKTXORQ-ADLMAVQZSA-N 443.154 4.986 50 1 IJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 103208282 KDEMVAGGHJYALI-FQEVSTJZSA-N 426.432 4.558 50 1 IJGF CC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587545920 SWBHKVWIAMEBGU-WMZHIEFXSA-N 425.868 4.636 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O 587418947 FMQVXRZSSDAKCU-KBXCAEBGSA-N 445.206 4.891 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 587686853 XTLRXXHXVUTRCZ-JEOXALJRSA-N 425.729 4.563 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(F)c(F)c(F)c(F)c1F)O2 587382140 ONOXGHVVMLDYFU-QGZVFWFLSA-N 436.174 4.528 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1nnc(-c2ccccc2)o1 587546038 UTBFEQOWUHGMQH-WZONZLPQSA-N 434.835 4.538 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1 587571365 NIHXAQHMYCKLRI-RXVVDRJESA-N 429.241 4.783 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 587683278 GFHRVOGBOAQMTA-YUNKPMOVSA-N 440.740 4.766 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCl)N1 587683511 HLOHFKSFOHFFEE-WYRIXSBYSA-N 425.729 4.563 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1 587570961 NACMXOWRTRVVED-GHTZIAJQSA-N 429.241 4.783 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2O)N1 587732454 NDVWSJLZCAOCLJ-XYZCENFISA-N 447.117 4.606 50 1 IJGF COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(O[C@@H](C)C(=O)NN)cc1 103290431 NSDGQNZVWSWZCN-WGXRPPGPSA-N 446.547 4.539 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195521539 FRINQRNKFUDCAA-WSPHOVFVSA-N 448.644 4.705 50 1 IJGF COC(=O)c1cccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587329458 XWBPVIWCKMYADL-QPPBQGQZSA-N 440.854 4.811 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587684530 KVZVRXKLRZASAL-NSPYISDASA-N 425.729 4.563 50 1 IJGF N#Cc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587538328 PBQJEDYKBWXZST-UGKGYDQZSA-N 436.261 4.516 50 1 IJGF Cc1cc2c(cc1Cl)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 587697124 LWWOWUAXBDBKEX-YBTHPKLGSA-N 436.708 4.803 50 1 IJGF C[C@@H](Cl)[C@@]1(Cc2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919648 BWUWEWGNPXOYPZ-PWBHZWRTSA-N 437.923 4.849 50 1 IJGF COC(=O)c1ccc([C@@H](C)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 43920093 GEJRUAFBQGUAGN-VWOGCHNZSA-N 446.540 4.759 50 1 IJGF CN(C)/C=C(\C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376791 QBRILOBNCNACJP-ZPSHTPPSSA-N 434.492 4.816 50 1 IJGF COCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587688627 MORALBYPHTUGMK-MPBGBICISA-N 443.788 4.670 50 1 IJGF COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1CBr 587875354 SPLXQLRKTXQFIB-UHFFFAOYSA-N 441.152 4.607 50 1 IJGF CN1C(=O)CCc2cc([C@@]3(CCl)c4cccc(F)c4CCN3[C@H]3CCSC3)ccc21 962709052 NDAHJHWMKQWLFZ-UUOWRZLLSA-N 445.003 4.581 50 1 IJGF CC1=CC(=O)[C@@]2(Br)O[C@@H]3C[C@@](C)(Cl)[C@H](Br)C[C@@]13C2(C)C 2356795350 LWXMAZNFOVICMW-QQZFCILMSA-N 426.576 4.573 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3ccccc3F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106455 BFZBFHSVPHQDPD-ATNZXWSXSA-N 434.504 4.623 50 1 IJGF COc1ccc2nc(Oc3ccccc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103187806 XIUCUFCHVJAFCA-HSZRJFAPSA-N 439.471 4.850 50 1 IJGF C[C@]1([C@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321798 FJCARWUYMHSSBS-BKULYWANSA-N 439.870 4.895 50 1 IJGF COc1ccc2cc([C@@]3(CBr)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587373686 MVVLXCCZGSTJCA-QFIPXVFZSA-N 426.310 4.995 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1 587571364 NIHXAQHMYCKLRI-NQIIRXRSSA-N 429.241 4.783 50 1 IJGF C[C@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 602434 BDJNCLBYFBBFQM-SFHVURJKSA-N 437.468 4.793 50 1 IJGF O=C(CCCc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 26971674 KSTFGRJPZGFDKX-UHFFFAOYSA-N 436.899 4.611 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)oc3c2)[C@@H]1c1ccc(F)cc1 587325472 FYUPBNQNACVYAJ-NFBKMPQASA-N 439.826 4.871 50 1 IJGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21C(C#N)=COc2ccccc21 963852665 DBVALPOXEBIRES-BCHFMIIMSA-N 446.503 4.675 50 1 IJGF C=C(C)[C@H](Cc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)CCC(C)(C)O2)OO 2356786002 YMKGTIBFPRPVFB-IBGZPJMESA-N 438.476 4.952 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H](C)Br)O2 587375942 WCEMSBKVGHPWON-ADLMAVQZSA-N 439.147 4.984 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O 587420672 GOYXEDYFEWJLAK-KSSFIOAISA-N 443.215 4.632 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 587685942 SEVVZBDYWCDYLR-FKIZINRSSA-N 440.740 4.766 50 1 IJGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962925386 MFEMRVNFYONHQF-UPCLLVRISA-N 443.429 4.859 50 1 IJGF COc1cccc(OC)c1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587496869 AJDRVLCZETYSKJ-JOCHJYFZSA-N 431.326 4.838 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccnc(Cl)c1 587539390 WCQFLXRDNMINOE-YLJYHZDGSA-N 446.684 4.693 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C#N)cc2)N1 587674305 VXULHHPGHOONKH-VOJFVSQTSA-N 438.138 4.633 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2)N1 587736182 ZFMRPKLWDURDMM-BMLIUANNSA-N 431.118 4.900 50 1 IJGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCCl)(c2cccc(F)c2)N1 962711590 MNWIUJAAELYMFD-IEBWSBKVSA-N 433.804 4.845 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(NC(C)=O)cc1)CC2=O 587456843 SMNIQXJZNVLQNF-NRFANRHFSA-N 432.314 4.559 50 1 IJGF Cc1cc(/C=C(/C#N)c2nc3cnnc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053916 AWMMYFQBYOFLAE-QPEQYQDCSA-N 425.279 4.837 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587420581 LDJVQRQCBHACMD-UGSOOPFHSA-N 445.206 4.891 50 1 IJGF COc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673509 NNZPRGXXDXVKNI-ADLMAVQZSA-N 443.154 4.770 50 1 IJGF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1C(=CC=C(Cl)[C@H]1Cl)N2O 27082746 HSHMYUQVBBSRDN-AQQIJUCISA-N 444.236 4.924 50 1 IJGF O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1c[nH]c2ccccc12 33154866 OQUHAFCCSZWHJX-RAWMCFOBSA-N 436.821 4.709 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724642 KQNGVCQXKRQAAY-GIGQVBGESA-N 443.719 4.702 50 1 IJGF CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838197 MLFYFEBGUSPTFK-WHEQGISXSA-N 430.317 4.965 50 1 IJGF O=C(O)c1cccc2c1CCN[C@]2(CBr)c1c(F)ccc(Cl)c1Cl 963124985 ROAMWYLZIGYNOX-KRWDZBQOSA-N 433.104 4.615 50 1 IJGF CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C 95558475 NQSDTXKCFAYCQW-WPWMEQJKSA-N 425.410 4.999 50 1 IJGF CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)/C(=C(\O)OCc2ccccc2)C(C)=N1 101730685 WTBQXBSRBGMOFA-DVSFFSCISA-N 438.505 4.856 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1)O2 587375980 WGRAEXYKLOZTMY-KRWDZBQOSA-N 425.120 4.595 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)O2 587382673 TUWMMHJQAGDQRL-HNAYVOBHSA-N 428.248 4.725 50 1 IJGF CCOP(=O)(C[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC 587852309 ZTSDNWHLEZFORG-ZBEGNZNMSA-N 442.693 4.823 50 1 IJGF COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3c2)cc1 587187308 DLPKDIFVKIEAKC-AQTBWJFISA-N 444.516 4.745 50 1 IJGF Cc1nc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587324336 XWZGFTVGWHVYTL-WIYYLYMNSA-N 446.272 4.785 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 587686154 STTHZYBCVYKDNZ-FKIZINRSSA-N 439.756 4.953 50 1 IJGF CCCn1nc(-c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C(=O)NN 73141039 AIWSBQYOYQDUIU-UHFFFAOYSA-N 442.350 4.873 50 1 IJGF COC(=O)[C@@H](C)c1ccc(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 103181963 ACYLUNVLGYUAJI-YRTBNCHWSA-N 446.540 4.550 50 1 IJGF CN(CCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCC[C@H]1CCSS1 38239818 UHGZXPFRSNNSIP-HNNXBMFYSA-N 432.007 4.518 50 1 IJGF Fc1ccc(CN(CCBr)CCSc2nc3ccccc3[nH]2)c(F)c1 169327053 GBVIXRCEPCCMAT-UHFFFAOYSA-N 426.330 4.830 50 1 IJGF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O 169371530 HSHMYUQVBBSRDN-OXNYHJJDSA-N 444.236 4.924 50 1 IJGF COc1ccc(C(=O)CCC[C@H]2OO[C@H](CCCC(=O)c3ccc(OC)cc3)OO2)cc1 253695265 ZBIKEIBPOFWJTO-RQNOJGIXSA-N 444.480 4.672 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@H](C)Cl)CC2=O 587460606 UTGYTDMYVSSOQJ-LFVRLGFBSA-N 433.932 4.954 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587684078 KFYQFGZDEQEKEK-UGZDLDLSSA-N 427.745 4.752 50 1 IJGF CCC[C@@H](CC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781411 JCQAQEXFLCVUFU-FQEVSTJZSA-N 448.567 4.528 50 1 IJGF Cc1ccnc2c1CCN[C@@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@@H](C)Br 963076955 UZCGHLVSHBUHMR-IVZQSRNASA-N 431.374 4.514 50 1 IJGF CC[C@H](C)[C@H](C(=O)N1CCC[C@H]1c1nccs1)N(C)C(=O)C[C@@H](C)C(Cl)Cl 2356726462 VZGQPEAFXKCCOT-KNCOVGOOSA-N 434.433 4.510 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)cc1C(F)(F)F)O2 587382806 SFWGMQWPIKFHRG-QGZVFWFLSA-N 432.211 4.991 50 1 IJGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](C(=O)O)N2 13151895 HFXTYQITEZRVMW-OONLHXPKSA-N 446.912 4.548 50 1 IJGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(F)cc1 587383739 FVKUMZCQDBXUNF-DOMBRYFRSA-N 441.934 4.936 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C#N)c2)N1 587673693 PKLBPUAGWSSVGA-ADLMAVQZSA-N 438.138 4.633 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)cc1Br)O2 587385773 QALXVYUSEHRRBK-QGZVFWFLSA-N 443.110 4.734 50 1 IJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)cc1 95809767 RIMJGZYCPLSJCO-HZHRSRAPSA-N 446.345 4.584 50 1 IJGF CCc1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O 587547219 ZJXRBCOBPLNYRW-HYBUGGRVSA-N 439.895 4.890 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587683364 GQLKCPOLNVCOSH-GIPWTMENSA-N 437.740 4.802 50 1 IJGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCCCl)(c2ccc(F)c(F)c2)N1 962973194 VLSDUOWNNOGEOF-DNVCBOLYSA-N 436.232 4.758 50 1 IJGF CC(=O)Oc1ccc([C@H](C)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 102088341 QSOYRDJKAPCQOP-JHYUKLAVSA-N 446.540 4.898 50 1 IJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2Br 587495937 HCFCELZIXOXYFK-HOWVWPRWSA-N 433.342 4.554 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC[C@H]2Br 587541602 CLNMONZBHICKDC-QTEQDKRBSA-N 437.289 4.959 50 1 IJGF CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1 49113107 LJWJTKBSXQSQKT-VGEXCLFWSA-N 433.552 4.718 50 1 IJGF CCOC(=O)[C@]1(CCBr)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498961 KNRVSARTIYCOKL-YADHBBJMSA-N 435.358 4.788 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 587685949 SEVVZBDYWCDYLR-YUNKPMOVSA-N 440.740 4.766 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1nc2ccccc2s1 963035568 NPEYHEGNNKIBAI-OAQYLSRUSA-N 440.366 4.637 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)O2 587373803 SXLDOSMSJJJSRN-HSZRJFAPSA-N 439.899 4.992 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 587686456 CUEVVDYDJTTXJH-FKANQGBASA-N 439.756 4.952 50 1 IJGF Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 72126033 FRGMRSIDDFYOMG-RUZDIDTESA-N 448.526 4.751 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 587696683 LTKWWJORPPXNEX-WTAXBJLLSA-N 448.767 4.988 50 1 IJGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc([N+](=O)[O-])c(OC)c1 963237678 YQVFOVYKXBHWMC-YCRPNKLZSA-N 433.346 4.899 50 1 IJGF CO[C@H](CO[Si](C)(C)N[Si](C)(C)OC[C@@H](OC)c1ccccc1)c1ccccc1 195468625 BBXJSIZHVSRIQN-FGZHOGPDSA-N 433.697 4.788 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Cl)c(N)c(Cl)c1)O2 587376975 ZKXBMHREOFKVGP-KRWDZBQOSA-N 430.129 4.722 50 1 IJGF COc1ccc([C@H]2O[C@]34C[C@@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934049 QRZBIBGOBHLRJC-PSBKLILYSA-N 448.393 4.817 50 1 IJGF O=C(N/N=C/c1cc(Cl)ccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1 96938930 UGTWNAOSQWGNEE-KBKYJPHKSA-N 434.805 4.967 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 587686156 STTHZYBCVYKDNZ-MPBGBICISA-N 439.756 4.953 50 1 IJGF CCOP(=O)(C[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC 587852256 ZGROHBCDRGJAPZ-MEDUHNTESA-N 442.693 4.823 50 1 IJGF COc1ccc(Cc2ccc(Cl)c(Cl)c2)c(OC)c1/C=C(\C#N)S(C)(=O)=O 1857562880 WYDQFSDNMSJIGQ-GXDHUFHOSA-N 426.321 4.510 50 1 IJGF CCn1c2ccccc2c2cc(C=NNC(=O)c3cc(-c4ccc(OC)cc4)n[nH]3)ccc21 263590421 CGVAZBBOUQGDDP-UHFFFAOYSA-N 437.503 4.977 50 3 IJGF C[C@H]1/C=C/C[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 137533587 OHWBWBOWCXAQRI-ZJCXNPTFSA-N 426.576 4.702 50 1 IJGF Cc1nc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587324335 XWZGFTVGWHVYTL-RXVVDRJESA-N 446.272 4.785 50 1 IJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(OCc4ccccc4)c1C)[C@@H](C2)C3=O 587416733 DFLKGBVBPJYRET-SQJMNOBHSA-N 437.923 4.624 50 1 IJGF COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587449073 DRIZKGRWXUJQCI-QQMNAOGKSA-N 436.920 4.851 50 1 IJGF COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587539727 XXMWLTNDAOEVEZ-DENIHFKCSA-N 441.277 4.653 50 1 IJGF CCOP(=O)(C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC 587608158 PKEGBAMTIXHLIV-XLIONFOSSA-N 440.816 4.598 50 1 IJGF COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(O[C@H](C)C(=O)NN)cc1 103293143 NSDGQNZVWSWZCN-LJXNEXSDSA-N 446.547 4.539 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587542232 GHFINIVTDKJMLS-QRUVEDRTSA-N 437.879 4.835 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ccc(CC(=O)O)s1 963194587 NQQLPSUHUKBIFJ-QPPBQGQZSA-N 436.964 4.981 50 1 IJGF CC(=O)Oc1ccc([C@H](C)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 43834955 QSOYRDJKAPCQOP-NOEDVIGESA-N 446.540 4.898 50 1 IJGF O=C1O[C@H](Cl)C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1Cl 73241679 OMEPAWCLCAUPJN-NRFANRHFSA-N 428.255 4.736 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 587681734 AHJSQZHKXRMKEH-XTZNXHDOSA-N 426.713 4.817 50 1 IJGF CC(=O)Oc1ccc(C[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587690138 ZLSSWZICFZUWTR-FKIZINRSSA-N 440.740 4.725 50 1 IJGF Cc1nc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587324331 XWZGFTVGWHVYTL-GHTZIAJQSA-N 446.272 4.785 50 1 IJGF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](I)C[C@@H]12 5923678 RCJSCMFZUGPPHB-ULYAPGBTSA-N 444.353 4.886 50 1 IJGF CC(=O)NCCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500092 YILHPQGWWPAFQP-CPJLOUKISA-N 425.956 4.732 50 1 IJGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1cccc(Cl)c1F)NCC3 963044767 CNDBLDLBRWCFIA-HXUWFJFHSA-N 435.724 4.820 50 1 IJGF CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2cc(C)on2)=C(C#N)[C@@H]1c1cccs1 19853526 QLUVKXOJOMCWIR-GMQRBVGNSA-N 444.538 4.516 50 1 IJGF COc1ccc(C(=O)CCC[C@H]2OO[C@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 38158857 OOWSTJBJUKGZDR-KMDXXIMOSA-N 444.480 4.673 50 1 IJGF C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C 95561001 RYKORZWQHYKBAL-ZMOGYAJESA-N 436.309 4.954 50 1 IJGF C[C@@H](C(=O)N/N=C1\SCC(=O)N1Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 103200118 YMTBSUVUTZTPNO-DBDXMPDSSA-N 447.535 4.759 50 1 IJGF Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537345 DAFVVQWDFPKMOU-KNQAVFIVSA-N 425.278 4.953 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)Cc1ccccc1 587537731 JVIJBNNADJZPAT-DENIHFKCSA-N 425.278 4.730 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCl)N1 587686366 UOWABCOLNPSVKN-JEOXALJRSA-N 425.729 4.563 50 1 IJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CCCCl)(c3ccccc3F)N12 962666287 MWTXSXLKOCVOKB-ZEQRLZLVSA-N 426.919 4.735 50 1 IJGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cnn(CCCCl)c1 963841199 JJKHCFRTBCTBPP-WIYYLYMNSA-N 447.963 4.546 50 1 IJGF C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C 96903371 RYKORZWQHYKBAL-CFRMEGHHSA-N 436.309 4.954 50 1 IJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587537520 GYIQVCKCZIREMG-KNQAVFIVSA-N 441.277 4.653 50 1 IJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H]1CC=C[C@@H](C3=O)[C@@]412 2356350951 NBRWFTRZAMRYHY-RKTSTRSFSA-N 431.671 4.671 50 1 IJGF NS(=O)(=O)c1ccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586930751 XHZAUALQXJGXAV-UHFFFAOYSA-N 427.420 4.653 50 1 IJGF C[C@]12CCC(=O)C[C@H]1C[C@@H](I)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 84732891 KUWGGCHFCHNDKP-KDUZVODFSA-N 430.370 4.763 50 1 IJGF O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(F)cc2F)ccc1O 212283932 SQNIJBBKSVPVIT-BHGWPJFGSA-N 431.236 4.864 50 1 IJGF C[C@@]1(/C=C/Br)O[C@@H]([C@@](C)(Br)CCl)C[C@H]1Br 238779919 WZBGMRRSJBIOSX-AGDSKLNSSA-N 425.386 4.599 50 1 IJGF CCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687052 YPDXTCQYCCFNEJ-MPBGBICISA-N 439.756 4.953 50 1 IJGF COc1ccc(OC)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587689147 QCINIEMYWFIOKW-NSPYISDASA-N 428.729 4.622 50 1 IJGF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)c2ccccc2)[C@H]1Br 40933635 AAEQEUMCRRVGBW-RBUKOAKNSA-N 429.266 4.626 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587687324 FYVYLAQABTUSHP-SZEPBZDZSA-N 447.776 4.566 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587690153 ZOKVRVJQLACAOC-XTDINYQCSA-N 425.729 4.584 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1F 587555679 HIWBXSZJAYACLD-WIYYLYMNSA-N 447.231 4.922 50 1 IJGF COc1ccc([C@@]2(CCCCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(OC)c1 962729629 ILGZQSPPXFBBOY-RXVVDRJESA-N 441.877 4.612 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(Cc2ccccc2)N1 587673362 MHDWSKHKXYTDHZ-SGTLLEGYSA-N 427.155 4.955 50 1 IJGF CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587682608 DEDMRSLIIWGPLX-AYLIAGHASA-N 427.745 4.752 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)CC2=O 587460672 VNXHIYNMGNNHLU-JBEBIEQOSA-N 427.928 4.742 50 1 IJGF C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)OC/C=C/c1ccccc1 100835548 FDPBKGIKXYISBY-IRVXRQNYSA-N 442.577 4.838 50 1 IJGF COc1ccc(C(=O)CCC[C@H]2OO[C@H](CCCC(=O)c3ccc(OC)cc3)OO2)cc1 100837826 ZBIKEIBPOFWJTO-PSWAGMNNSA-N 444.480 4.672 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2O)N1 587732449 NDVWSJLZCAOCLJ-VVVCHXIZSA-N 447.117 4.606 50 1 IJGF Cc1ccc(NC(=O)[C@H](C)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587879349 BUZJHIBMWQRLDJ-AWEZNQCLSA-N 437.754 4.578 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]12C 43322958 JIYDMMUJCNTFKM-GNFNNVFKSA-N 448.644 4.849 50 1 IJGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(Br)cc1F)[C@@H](C2)C3=O 587426437 NPIRCOIAEMQPRF-LIRRHRJNSA-N 425.681 4.869 50 1 IJGF C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587500554 SIWOXVVMAUKKAI-WHEQGISXSA-N 429.310 4.938 50 1 IJGF C[C@H](Br)[C@]1(C2CCCCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962644443 RCQWWEXTUKPJGS-BJQRDSPESA-N 445.401 4.892 50 1 IJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccccc2CBr)N1 963180172 GHCKYNQCVGQYOP-CJNGLKHVSA-N 448.666 4.942 50 1 IJGF CSc1nc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@@H]1Cl)N2 102810474 RSLNDYJKMKNRDV-ZFWWWQNUSA-N 446.960 4.649 50 1 IJGF CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 103212482 WKBLIFUQKOHWQV-GROYHEBESA-N 426.475 4.592 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587726747 ZJYABLLBLAPTHB-GIGQVBGESA-N 443.719 4.702 50 1 IJGF N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53229541 HFMNTLQZOFMARH-WWSNPGLVSA-N 439.563 4.800 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(OC)c1)CC2=O 587457250 WYCNIEVGRQGKEW-OAQYLSRUSA-N 435.314 4.618 50 1 IJGF CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@H](O)C[C@@H]1[C@]2(C)CC[C@H]2C[C@]21C 2356680763 TVPGLKMZPNMCDZ-RKSOZWIZSA-N 425.407 4.863 50 1 IJGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1ccc2c(c1)CCCC2)NCC3 963029542 DKBMVUQIGNPGNY-XMMPIXPASA-N 437.381 4.906 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1oc2ccccc2c1NC(=O)CCl 963059264 QBPKLGDOXWEUBT-DEOSSOPVSA-N 435.911 4.576 50 1 IJGF CN(C)c1ccc2c(-c3cc(N=C=S)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 15020123 OBYNJKLOYWCXEP-UHFFFAOYSA-O 444.536 4.735 50 1 IJGF O=C1CSC[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)N1 587042263 BXALQQAKFHVEGO-QMMMGPOBSA-N 438.241 4.887 50 1 IJGF CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587688252 KBKYTWSMJPZFJP-YUNKPMOVSA-N 440.740 4.725 50 1 IJGF CC1(C)CN2c3cc(Br)cc(c31)[C@@]21c2ccccc2OC[C@@H]1Br 963069679 AUUNPCLRHNNOBL-QFBILLFUSA-N 435.159 4.960 50 1 IJGF COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1cccc(F)c1 95569607 GTKSHVBIOAMVNO-XMMPIXPASA-N 441.462 4.973 50 3 IJGF O=C1O[C@@H](Cl)C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1Cl 73241680 OMEPAWCLCAUPJN-OAQYLSRUSA-N 428.255 4.736 50 1 IJGF BrC[C@@]1(c2ccc3c(c2)OCO3)c2ccsc2CCN1Cc1cccnc1 963014145 RFPZVGPBXUQEIQ-OAQYLSRUSA-N 443.366 4.569 50 1 IJGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 43490951 KHDYNQACPQKQHW-XPWZEYHZSA-N 438.520 4.668 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(F)c1 587557656 OFUDBKUQLYFRMU-RXVVDRJESA-N 447.231 4.922 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCCO3)N1 587685258 OYZXEYRHXBFBMV-FKIZINRSSA-N 440.740 4.766 50 1 IJGF COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(O[C@H](C)C(=O)NN)cc1 103293156 NSDGQNZVWSWZCN-JHTITAFHSA-N 446.547 4.539 50 1 IJGF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)CCCBr)ccc3CC[C@@H]12 473126515 UDBWYMOWICNRLQ-QIJUGHKUSA-N 437.374 4.950 50 1 IJGF C[C@@H](Br)[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923637 FPPHJLRCVCAQBY-JMGHSTIFSA-N 448.357 4.808 50 1 IJGF Cc1cc(NC(=O)[C@H](C)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878788 UULAPEKFPDLVRO-AWEZNQCLSA-N 437.754 4.578 50 1 IJGF N#CSc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cc3noc4ccccc34)nn12 43011083 HLOZJVJFVLXQON-UHFFFAOYSA-N 434.462 4.671 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195343841 JIYDMMUJCNTFKM-RQDLMRMSSA-N 448.644 4.849 50 1 IJGF Cc1ccc(C(=O)N/N=C(\N=N\c2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)cc1 5582840 IDTITUILFMAGOQ-LQMSAZQOSA-N 430.468 4.845 50 1 IJGF CC[C@H](Br)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537487 GDVFRBZHOQDXIH-LRXVAGHRSA-N 440.293 4.818 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)OCCCO3)N1 587683269 GFHRVOGBOAQMTA-FKIZINRSSA-N 440.740 4.766 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687789 IABAWSPDDAGTPI-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF COc1cccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587673500 NJLRWNOSCIFPIU-ZMZPIMSZSA-N 443.154 4.770 50 1 IJGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587686335 CQVBFYPUNOLNPV-WYRIXSBYSA-N 428.729 4.622 50 1 IJGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](C(=O)O)N2 13151896 HFXTYQITEZRVMW-OBHGLWADSA-N 446.912 4.548 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(F)c1 587557655 OFUDBKUQLYFRMU-NQIIRXRSSA-N 447.231 4.922 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 587690150 ZOKVRVJQLACAOC-BAXPTACRSA-N 425.729 4.584 50 1 IJGF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CBr)CC3=O 29133653 DSWAHIVYQGQNPY-GFCCVEGCSA-N 433.298 4.658 50 1 IJGF CC(NCCSSCCNC(C)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C 2356475215 SZFRXFHQDNKSIE-DJDZNOHASA-N 448.698 4.585 50 1 IJGF CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NN)c2C#N)cc1 48999699 UAFLVLOHXHZQHA-UHFFFAOYSA-N 440.547 4.658 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 587686249 CCTBNNULDYOQRT-BIBXISHDSA-N 447.739 4.829 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587690145 ZMDKTAMBZBEMHS-ZBUHCNDUSA-N 439.756 4.952 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1)O2 587375983 WGRAEXYKLOZTMY-QGZVFWFLSA-N 425.120 4.595 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376788 QBRILOBNCNACJP-YFLNIRPKSA-N 434.492 4.816 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418021 RFBPDAWEDXCYCU-CYSDGLOUSA-N 433.891 4.584 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(F)cc(C(F)(F)F)c1)O2 587383552 YNWNJGXNMPKUQV-KRWDZBQOSA-N 432.211 4.991 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)s2)N1 587845300 DOEMFPMNUTZTGQ-FVMDXXJSSA-N 444.167 4.694 50 1 IJGF O=C(NCCSSc1ccc(F)cc1)/C(Cc1cccc(Br)c1)=N/O 26503701 UXGRUSNDMCXQMD-LTGZKZEYSA-N 443.363 4.518 50 1 IJGF Cc1cccc(C(=O)Oc2ccc(N(CCBr)CCBr)cc2)c1 95719665 GWEJBHPUPOEHFW-UHFFFAOYSA-N 441.163 4.810 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@@H]2Br 587677990 BUIFYSZIGJRMBS-KTTLUUMZSA-N 425.139 4.686 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 587689107 PNXLKQXKZDDTAI-HTGLOVNISA-N 439.756 4.952 50 1 IJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)Cn1nnc2ccccc21 963188346 AMGLIDGDIOSVLF-LOSJGSFVSA-N 427.939 4.689 50 1 IJGF O=C(Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1)c1ccccc1 35879594 JXSHMZLOSBQFSL-UHFFFAOYSA-N 436.689 4.863 50 1 IJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587495940 HCFCELZIXOXYFK-UYIIBVGGSA-N 433.342 4.554 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1nnc(-c2ccccc2)o1 587546037 UTBFEQOWUHGMQH-MBSDFSHPSA-N 434.835 4.538 50 1 IJGF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@](C)(O)[C@@H](I)C[C@@H]12 31898217 RCJSCMFZUGPPHB-ZMLGCWGVSA-N 444.353 4.886 50 1 IJGF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2oc(CCl)nc2c1 587890138 RCNSDHQCVVLCEY-UHFFFAOYSA-N 437.710 4.592 50 1 IJGF COc1ccc2c(c1OC)[C@](c1cc(F)ccc1F)([C@H](C)Br)N(C)[C@@H](C)C2 962627277 GRJHTODYBNUTRF-OYMPBJRDSA-N 440.328 4.885 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(F)cc(C(F)(F)F)c1)O2 587383553 YNWNJGXNMPKUQV-QGZVFWFLSA-N 432.211 4.991 50 1 IJGF O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)c(Br)c1 1857599196 XSJLVILEIMIOPE-UFFVCSGVSA-N 448.114 4.834 50 1 IJGF Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@@](=O)c2ccc(C)cc2)cc1 1857755248 RBARXZJJNDLOFF-UVDDSOTQSA-N 427.529 4.683 50 1 IJGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccccc1Br 103228883 ZUEVIMPAYOSKRG-QOMWVZHYSA-N 429.277 4.555 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724643 KQNGVCQXKRQAAY-OVWNDWIMSA-N 443.719 4.702 50 1 IJGF O=C(N/N=C/c1ccc(OC[C@@H]2CCCCO2)c2ccccc12)c1ccc(O)c(Cl)c1 13439021 PKXKSFUIKNZGAP-NEOOYVHHSA-N 438.911 4.911 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)c(F)c1)O2 587382436 RGNRNVZMHSDJGV-KRWDZBQOSA-N 443.110 4.734 50 1 IJGF CCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546875 YKSCILUHOHNUDB-QPPBQGQZSA-N 437.879 4.837 50 1 IJGF O=C(CCl)N[C@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986805 WATWNJOLURNCNQ-HXUWFJFHSA-N 442.902 4.791 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCBr)N1 587673704 PSIWFJQLUKXQNL-BBATYDOGSA-N 443.154 4.986 50 1 IJGF CCOC(=O)C1=NN(c2ccc(C)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1 40602288 FLYCTLKGCLWMGS-XLNRJJMWSA-N 430.489 4.524 50 1 IJGF CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(Cl)cc3Cl)n2)c2ccccc21 73166085 MWDZDGGAXAQHST-UHFFFAOYSA-N 442.350 4.873 50 1 IJGF Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587757476 VAMNAEYWBNZPGG-MSKMAVRDSA-N 428.349 4.644 50 1 IJGF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CC(Cl)C1 169697205 LKGWPHHIJYCDSR-GCORXELYSA-N 447.019 4.677 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684059 KBACIZQVYGVNFD-WYRIXSBYSA-N 425.729 4.563 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)s2)N1 587849191 REZMAGYDIYWIQA-XXFAHNHDSA-N 444.167 4.694 50 1 IJGF COc1ccc2ccccc2c1/C=N/NC(=O)CCn1c(C(F)(F)F)nc2ccccc21 96929694 PKQRGWMISJMCQH-MZJWZYIUSA-N 440.425 4.757 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587684709 LSRIZYFTHYULGJ-GIPWTMENSA-N 437.740 4.802 50 1 IJGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(Cl)cc2)s1 43063088 JBQALZLXSXHJCM-ROUUACIJSA-N 444.347 4.593 50 1 IJGF C[C@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328605 VGORGEWOJXQQIB-ISKFKSNPSA-N 439.870 4.983 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H](C)Br)O2 587375944 WCEMSBKVGHPWON-BBATYDOGSA-N 439.147 4.984 50 1 IJGF O=C(c1cccnc1)N(/N=N/c1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1F 1772590578 NGFPVOGKFYPSOY-GHVJWSGMSA-N 428.311 4.522 50 1 IJGF O=N[C@H](Cc1cccc(Br)c1)C(=O)NCCSSc1ccc(F)cc1 169717443 FGLOVUWIGZARCE-MRXNPFEDSA-N 443.363 4.822 50 1 IJGF COc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539450 WKFUSCIPHNOIPL-KNQAVFIVSA-N 441.277 4.653 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686493 CYCIYDRQYUQBLY-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 36311318 WFEBDUAOHHUIJM-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF Cc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538265 OLJXYMYMJBIVPR-UGKGYDQZSA-N 425.278 4.953 50 1 IJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587681877 LOCMVLJLSRZGKL-CFMSYZGJSA-N 435.724 4.921 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684740 LXEWZTFWZUOYHM-JEOXALJRSA-N 436.712 4.655 50 1 IJGF BrC[C@@H]1C[n+]2c(SCc3ccccc3)nc3sc4c(c3c2O1)CCCC4 1249015 PNHMURDKOHJIEJ-CQSZACIVSA-N 448.431 4.911 50 3 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCBr)N1 587673011 JNIAVASFMKKDQE-ADLMAVQZSA-N 443.154 4.986 50 1 IJGF CN(C)CCSSCCN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(Cl)cc1 618010333 TUWYQXNCIFMVBN-RTBURBONSA-N 443.078 4.731 50 1 IJGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccncc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772619258 JZLYDQAOZPNARV-JOCHJYFZSA-N 439.441 4.827 50 1 IJGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 474604720 DNFVNEXHNIERBM-WFWKBIBJSA-N 446.850 4.505 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O 587414454 MJTQBDHSSUXDHB-YOKVUHJFSA-N 437.717 4.784 50 1 IJGF O=C([C@@H]1Cc2ccccc2[C@](CBr)(c2cccc(Cl)c2)N1)C(F)(F)F 962730121 LTVMTSLPXAFZNK-RDJZCZTQSA-N 432.667 4.624 50 1 IJGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)cc1 1857761430 YIHQELRERWHSBK-BGOLNKOXSA-N 431.492 4.513 50 1 IJGF Cc1cc(/C=C(\C#N)c2nc3c(O)nc(O)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056748 RBPILEBYBONDOJ-KPKJPENVSA-N 441.278 4.543 50 1 IJGF CCCCC[C@H](C=CC=CCC=CCC=CCCCC(=O)NCCS(=O)(=O)O)OO 2356343331 MGJLNRAMOCXZAS-OAQYLSRUSA-N 443.606 4.604 50 1 IJGF C=CC(C)=CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C(C=O)[C@@]2(C=O)[C@@H](OC)C[C@H]1C 2356511810 IIENMWMYMSMVQK-XCGVORAMSA-N 430.585 4.858 50 1 IJGF COc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O 587508535 WHDJEDKFQZXTNE-OAQYLSRUSA-N 435.289 4.674 50 1 IJGF N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)N(c1ccccc1)C1CCCCC1 96271126 LQKAOXPELYJVFR-XDJHFCHBSA-N 427.504 4.999 50 1 IJGF CC(C)OCc1c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)oc2ccccc12 101683198 NKVWBSFSEVETKM-SILNSSARSA-N 431.448 4.884 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418017 RFBPDAWEDXCYCU-BFMBIBTESA-N 433.891 4.584 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1cccs1)(C(Br)Br)[C@@H](C2)C3=O 587450379 JXZCQALAJULWIL-QFYYESIMSA-N 444.144 4.516 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(OC)c1)CC2=O 587457249 WYCNIEVGRQGKEW-NRFANRHFSA-N 435.314 4.618 50 1 IJGF CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550512 WWIUHXMFEGXMPR-AZQZOLAGSA-N 446.890 4.872 50 1 IJGF COC(C)(C)[C@@H](Br)c1nc2c(Br)ccc(Br)c2[nH]1 586971797 XUVGEMRHWSSAAI-JTQLQIEISA-N 440.961 4.949 50 1 IJGF Cc1csc([C@H](C#N)[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587853835 RYWCXCJQWGAMDL-IJPZITHUSA-N 428.758 4.629 50 1 IJGF Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])cc1C 1857559734 IBKQTWFTUAMVHM-LFIBNONCSA-N 431.404 4.716 50 1 IJGF O=C(N/N=C/c1ccc(OC[C@H]2CCCCO2)c2ccccc12)c1ccc(O)c(Cl)c1 13439025 PKXKSFUIKNZGAP-WGFYCLKKSA-N 438.911 4.911 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1F 587555676 HIWBXSZJAYACLD-NQIIRXRSSA-N 447.231 4.922 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1)O2 587383676 ZPSHBFBMBHWGBE-KRWDZBQOSA-N 432.211 4.991 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)Cc1ccccc1 587537733 JVIJBNNADJZPAT-KNQAVFIVSA-N 425.278 4.730 50 1 IJGF N#Cc1c(CCl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 587544754 NTQYWVKPWNHSOJ-RDPSFJRHSA-N 430.847 4.958 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cc(F)ccc1F)[C@H](C)Br 963635715 NYXKILLNNBYMGF-JOOBJXAISA-N 426.301 4.543 50 1 IJGF COc1ccc2nc(C)cc(SCC(=O)N/N=C\c3c(OC)ccc4ccccc34)c2c1 15990348 BWUKOBODZHJCND-WGARJPEWSA-N 445.544 4.956 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC(F)(F)[C@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43889077 DFBXOAXDWYYGMV-XCOVZJAKSA-N 448.400 4.747 50 1 IJGF C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546403 WLZNYZIOZZFIEA-URXFXBBRSA-N 437.879 4.837 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684056 KBACIZQVYGVNFD-JEOXALJRSA-N 425.729 4.563 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)[C@H]1CCCOC1 963187846 JNTOKIMEZXCSID-WWNPGLIZSA-N 425.370 4.826 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 43408928 FRINQRNKFUDCAA-FIWSJIHBSA-N 448.644 4.705 50 1 IJGF COC(=O)c1ccc([C@]2(CBr)NCCc3cc(-c4ccccc4)ccc32)cc1 962671176 WRYYFILGBCTHQM-DEOSSOPVSA-N 436.349 4.924 50 1 IJGF Cc1ccc(/C=N/NC(=O)c2cc(C(F)(F)F)nc3c2c(C)nn3-c2ccccc2)cc1 1772653583 XRTPYLFSUORRRW-UVHMKAGCSA-N 437.425 4.820 50 1 IJGF CC(=O)Oc1ccc([C@H](C)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 102088345 QSOYRDJKAPCQOP-ROIBFQKISA-N 446.540 4.898 50 1 IJGF Cc1cc(NC(=O)[C@@H](C)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878790 UULAPEKFPDLVRO-CQSZACIVSA-N 437.754 4.578 50 1 IJGF Cn1c(O)cc2cc([C@@]3(CBr)NCCc4c(Cl)cc(Cl)cc43)ccc21 963126186 VIVYEUURHFDWMK-LJQANCHMSA-N 440.168 4.975 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@H]1c1ccc(F)cc1 587327333 PGPYGNWGMUNGEO-REWPJTCUSA-N 438.842 4.606 50 1 IJGF C[C@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547368 ZQVFWPBKFHXNDH-XUZZJYLKSA-N 437.879 4.837 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1F 587567116 DTIFUQXJXXQEDG-GHTZIAJQSA-N 429.241 4.783 50 1 IJGF Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587853837 RYWCXCJQWGAMDL-JEIZZZKLSA-N 428.758 4.629 50 1 IJGF Cc1cc2c(cc1F)[C@@](CBr)(c1ncc(C(F)(F)F)cc1Cl)NCC2 962149628 XEMXXBJASDKPCG-INIZCTEOSA-N 437.662 4.986 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587414453 MJTQBDHSSUXDHB-UHMLPPNMSA-N 437.717 4.784 50 1 IJGF COc1cc2c3c(c1)O[C@](c1cccs1)(C(Br)Br)[C@@H](C2)C3=O 587450376 JXZCQALAJULWIL-MGPLVRAMSA-N 444.144 4.516 50 1 IJGF COc1cc2c3c(c1)O[C@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O 587424640 QNYKNDUUKZXMAR-VHPWJVAPSA-N 441.243 4.625 50 1 IJGF CCOP(=O)(C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC 587608157 PKEGBAMTIXHLIV-PXNSSMCTSA-N 440.816 4.598 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@@H]2Br 587687234 YJDJAKWHRYVJKA-XODWSEBVSA-N 425.139 4.686 50 1 IJGF Cc1c(O)ccc2c1[C@@](CCCCCl)(c1ccc(F)c(Cl)c1)N[C@H](C(=O)O)C2 963468933 JCIIFXXJZKTYNS-LAUBAEHRSA-N 426.315 4.745 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(OC)cccc1OC)CC2=O 587456043 JFNAGHXJJKAEBK-OAQYLSRUSA-N 435.314 4.618 50 1 IJGF Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850204 CPOVIVQTRPMMIE-CIBPLQMKSA-N 428.758 4.629 50 1 IJGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@H]1c1ccccc1F 1911570447 IDMSQGBRRORUTL-OAQYLSRUSA-N 426.403 4.523 50 1 IJGF O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 40392911 GPRMWJZQNKEIEH-BRJLIKDPSA-N 440.290 4.657 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@@H]1c1ccc(F)cc1 587327330 PGPYGNWGMUNGEO-NFBKMPQASA-N 438.842 4.606 50 1 IJGF CCOC(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500173 RKIBMUJRLORGJI-QHCPKHFHSA-N 443.337 4.998 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 587685945 SEVVZBDYWCDYLR-MPBGBICISA-N 440.740 4.766 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 587700781 MGUQMOBYBVSAKU-QAGGNYDDSA-N 448.767 4.988 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(CCl)o2)s1 587897774 TYUIPLAABVBJNK-UHFFFAOYSA-N 440.739 4.554 50 1 IJGF Cc1cc([C@@]2(CCl)NCCc3c2c(C(C)C)nn3C)c(C)n1Cc1ccc(F)cc1 962915971 IKVSEMDLVRTCTH-XMMPIXPASA-N 428.983 4.777 50 1 IJGF CC(C)(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 103278970 FDMYIRUITNWHOA-BYPYZUCNSA-N 446.186 4.576 50 1 IJGF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCCCBr)[nH]c2c1 586972245 KWCQPYWOBJFQIT-UHFFFAOYSA-N 442.766 4.735 50 1 IJGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCBr)c(OC)c1)CC2=O 587456983 UGWAFNNQBHMCSE-IBGZPJMESA-N 435.314 4.834 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 587689600 UUIDRDRSPZGXFH-YBTHPKLGSA-N 447.739 4.829 50 1 IJGF Cc1cc2c(cc1Cl)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587699508 QMHLVYKMVQAGMB-PRWKNARSSA-N 436.708 4.803 50 1 IJGF ClCC[C@]1(c2ccc3c(c2)OCCO3)NC2(CC2)Cc2ccc(Br)cc21 961614277 KFZLKSCYUGMAJO-OAQYLSRUSA-N 434.761 4.771 50 1 IJGF CN(C)c1ccc(/C=N/NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 98082079 PDCAGVPPXFVBHV-MZJWZYIUSA-N 427.430 4.674 50 1 IJGF COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O 587417081 JBAGQJFTJLSQHI-UZYSIYDRSA-N 425.868 4.670 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O 587423498 KWOYWGNEKLBKSN-DJJJIMSYSA-N 425.681 4.834 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C#N)c2)N1 587673698 PKLBPUAGWSSVGA-ZMZPIMSZSA-N 438.138 4.633 50 1 IJGF COc1cc([C@@]2(CBr)NCCc3cc(C)c(F)cc32)ccc1OC(F)F 962144372 KEZOHMSIQCYRQX-LJQANCHMSA-N 430.264 4.528 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587329122 XDTAIVIYUIKAHV-LADGPHEKSA-N 439.870 4.983 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(Cc2ccccc2)N1 587673361 MHDWSKHKXYTDHZ-KZULUSFZSA-N 427.155 4.955 50 1 IJGF CC[C@H](C)[C@H](C(=O)N1CCC[C@H]1c1nccs1)N(C)C(=O)C[C@H](C)C(Cl)Cl 2356726464 VZGQPEAFXKCCOT-RZLSGREXSA-N 434.433 4.510 50 1 IJGF O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)o1 15987876 VXGXANYCAKQJKR-QRVIBDJDSA-N 435.281 4.659 50 3 IJGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1ccc1ccccc21 82053269 IDTBGBNPDHPEJL-SFHVURJKSA-N 425.347 4.983 50 1 IJGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@@H]1C(=O)c2cccc4cccc1c24)CC3 1857639079 QBEFZHRIDMPJJN-CUBQBAPOSA-N 429.479 4.702 50 1 IJGF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(Cl)CC2)cc1 169331074 JZCVJYQDCHFLNK-UHFFFAOYSA-N 431.367 4.688 50 1 IJGF CCOP(=O)(OCC)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1 68600081 BFHWWUUIWFBPKN-UHFFFAOYSA-N 430.377 4.886 50 1 IJGF biogenic CCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC 103201047 XGVHTPMERNGCBM-GHNGSUTGSA-N 440.502 4.979 50 1 IJGF CCN(CC)c1ccc2c(c1)OC(N(C(C)=O)C(C)=O)=C(C#N)[C@@H]2c1ccc(Cl)cc1 66066495 RRFKAGREUVNPFE-HSZRJFAPSA-N 437.927 4.841 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)CCCl)[C@@H](C2)C3=O 587420224 HBMNLXFXJNIGMV-FNZWTVRRSA-N 447.918 4.954 50 1 IJGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCl)C(Cl)Cl 963903824 IDABCGXQUDZALM-YJYMSZOUSA-N 436.763 4.869 50 1 IJGF COC(=O)Cc1ccc(OCCN(C)C(=O)CCCC[C@H]2CCSS2)c(Cl)c1 35849867 ZUMKEIUVSNMAEB-INIZCTEOSA-N 446.034 4.607 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C(F)(F)F)ccc1F)O2 587382090 NPGSCWDDQVULES-QGZVFWFLSA-N 432.211 4.991 50 1 IJGF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@]1(CCBr)C(=O)OCC)CC2=O 587455604 DNROSCYZITWNLV-SFTDATJTSA-N 439.346 4.567 50 1 IJGF Cc1cc([C@@]2(CCl)NCCc3c2c(C(C)C)nn3C)c(C)n1-c1cc(F)cc(F)c1 962905476 FEMSJTZAQHAGET-HSZRJFAPSA-N 432.946 4.857 50 1 IJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccc(F)cc1 98084009 ANRGCFAHWKITKG-QFIPXVFZSA-N 427.435 4.981 50 1 IJGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327099 ONOUXGINBILZNY-CUKRAGERSA-N 449.906 4.781 50 1 IJGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546446 QTJAPILZDYSOCF-VYOVGOFPSA-N 446.890 4.872 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@H]1Cc2ccccc21 587537271 CGCSPYKUDDJXJP-NYDSKATKSA-N 437.289 4.827 50 1 IJGF COc1ccc([C@]2(CCCCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(OC)c1 962729630 ILGZQSPPXFBBOY-WIYYLYMNSA-N 441.877 4.612 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 36311280 FLGKFIQMBOHQSC-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF CSc1nc(N2CCCCC2)c2cnn(C[C@H](Br)c3ccccc3)c2n1 40380416 JEVRTPJBMPWIGA-INIZCTEOSA-N 432.391 4.675 50 1 IJGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)ccc1Br 72110852 UNONQWJYKQRFCG-SSDVNMTOSA-N 444.354 4.557 50 1 IJGF COc1ccc([C@@H]2O[C@]34C[C@@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934051 QRZBIBGOBHLRJC-MPJJRAAHSA-N 448.393 4.817 50 1 IJGF C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C 28526801 IIENMWMYMSMVQK-ZWDYPXISSA-N 430.585 4.858 50 1 IJGF COc1ccc(Cl)c2c1CCN[C@]2(CBr)c1ccc(Cl)c([N+](=O)[O-])c1 963258706 QEDZFZKBOQWRCY-QGZVFWFLSA-N 446.128 4.694 50 1 IJGF O=C(O)COc1cccc2c1CC[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)C2 13901860 KMIDDFHLHKFDHS-IBGZPJMESA-N 430.504 4.515 50 1 IJGF COc1cc([C@H]2C(C#N)=COc3c2ccc2c3ccn2C)cc(Br)c1OC 33970210 RSKJMQNJEQXXQW-IBGZPJMESA-N 425.282 4.890 50 1 IJGF O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1Cl 42965534 IFSFAAPAESONGS-UHFFFAOYSA-N 428.124 4.625 50 1 IJGF Cn1c(/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc2)cc2ccccc21 95560922 ASLYMHMCCPQQDZ-LVWGJNHUSA-N 448.320 4.829 50 1 IJGF C=C[C@@H]1CC(=O)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 197977895 JOKKFSVHLDXBMP-PXDATVDWSA-N 436.668 4.892 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587009821 UVKXMVBBMLHQGB-INIZCTEOSA-N 438.812 4.841 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2)N1 587732927 OPEFQRDTHJJYSU-BTDLBPIBSA-N 431.118 4.900 50 1 IJGF COc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587544698 OUYJSJQOHMJNGV-RNXZCGPXSA-N 426.852 4.591 50 1 IJGF C=C1OC(C)(C)[C@H](Br)C[C@]1(O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 238756620 LCWXSHUNEUSYLE-ZZVJUGKHSA-N 430.608 4.755 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587424040 WOKYKJPEYUMESL-KSSFIOAISA-N 443.215 4.632 50 1 IJGF COc1ccc(OC)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689783 WDQJBGPZCRWJGQ-NSPYISDASA-N 428.729 4.622 50 1 IJGF COc1ccc(C(=O)CCC[C@@H]2OO[C@@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 38158854 OOWSTJBJUKGZDR-WXFUMESZSA-N 444.480 4.673 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(Cl)c2)N1 587674260 VNGYDKHOGWNDHY-FVMDXXJSSA-N 448.561 4.809 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 587320159 FACVTQRBWAUQQZ-IRLDBZIGSA-N 443.268 4.886 50 1 IJGF COc1cccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587673499 NJLRWNOSCIFPIU-VOJFVSQTSA-N 443.154 4.770 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCl)N1 587683509 HLOHFKSFOHFFEE-NSPYISDASA-N 425.729 4.563 50 1 IJGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1C1CCCCC1 40677062 NLUWJPSDJLUGHC-FBNDGMMSSA-N 428.554 4.715 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](Br)CC(=O)O)CC2=O 587449985 CTURUEZUEOOPHJ-DENIHFKCSA-N 447.325 4.752 50 1 IJGF N#CCC1=C(C#N)CC(c2ccc([N+](=O)[O-])cc2)=C(CC(=O)c2ccc([N+](=O)[O-])cc2)O1 71318748 GOQOTLPCTOTNDM-UHFFFAOYSA-N 430.376 4.599 50 1 IJGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2c(OC)c1OC 96913705 IYFCIRGTRMXRDE-ZDUSSCGKSA-N 439.899 4.658 50 1 IJGF COc1cc(Cl)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587374694 PMIVZGFDGGUOSH-IBGZPJMESA-N 440.721 4.503 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587420577 LDJVQRQCBHACMD-SCLBCKFNSA-N 445.206 4.891 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCBr)c1 587538538 PLGSWRJHPUFVJV-SIKLNZKXSA-N 441.277 4.869 50 1 IJGF CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550515 WWIUHXMFEGXMPR-SQTDXIJDSA-N 446.890 4.872 50 1 IJGF O=C(CBr)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621077 OISNCDZCRAKPLN-UHFFFAOYSA-N 448.118 4.807 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 587683751 HXFWGWRUIUJEAH-WYRIXSBYSA-N 425.729 4.563 50 1 IJGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)ccc1C(F)(F)F 72110245 YNQINDVTDRWIGX-OPEKNORGSA-N 433.455 4.813 50 1 IJGF COc1ccc2c(c1)c(CCNNC(=O)C(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 15962545 IEGLFWQZLYISIT-UHFFFAOYSA-N 441.959 4.510 50 3 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc2c(c1)OCCO2 587541470 BWDQDUGBPYFZTG-ZJSXRUAMSA-N 438.863 4.649 50 1 IJGF COc1ccc2c([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587542610 HULOTWKTPBIGGT-ZJSXRUAMSA-N 435.863 4.978 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2([C@@H](C)Br)C1(c2ccccc2)CC1 963585114 UKWYHBSQCFQQLV-PXAQALGRSA-N 430.386 4.949 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2nccs2)[C@H]1c1ccc(F)cc1 587372272 FGOHLHLUYOWGMW-LPHOPBHVSA-N 434.286 4.637 50 1 IJGF C[C@H](Br)[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923647 FPPHJLRCVCAQBY-PSMUNZOPSA-N 448.357 4.808 50 1 IJGF CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 5581973 FZNXAZLPNZVWBS-OAHLLOKOSA-N 432.911 4.845 50 1 IJGF O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 33403183 XAPSYESMMPZIRE-ROTLSHHCSA-N 445.866 4.654 50 1 IJGF COc1ccc(C(=NNC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1 68582052 ADHBCVRMEFGIQV-UHFFFAOYSA-N 439.309 4.649 50 1 IJGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-c3ccccn3)s1)O2 587408410 BLLGCSWRJQVPLD-FQEVSTJZSA-N 429.339 4.956 50 1 IJGF CCCc1c(O)ccc2c1O[C@]1(CCC[C@]1(CCBr)C(=O)OCC)CC2=O 587455601 DNROSCYZITWNLV-LEWJYISDSA-N 439.346 4.567 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542681 IEIAVXSQNVYYTB-QRUVEDRTSA-N 437.879 4.835 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(F)c1 587571747 PIFDUNJBEAVKCM-NQIIRXRSSA-N 447.231 4.922 50 1 IJGF CC1(C)CN2c3cc(Br)cc(c31)[C@]21c2ccccc2OC[C@H]1Br 963069670 AUUNPCLRHNNOBL-APWZRJJASA-N 435.159 4.960 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2([C@H](C)Br)C1(c2ccccc2)CC1 963585103 UKWYHBSQCFQQLV-KXNSMUHISA-N 430.386 4.949 50 1 IJGF CCOC(=O)[C@@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328000 SHAWZKFVYOSRFR-REWPJTCUSA-N 434.891 4.991 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(F)ccc1Br)O2 587384698 IKOACNNIGMUCNB-KRWDZBQOSA-N 443.110 4.734 50 1 IJGF COc1cc2c3c(c1)O[C@](CCl)([C@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587449072 DRIZKGRWXUJQCI-MFEFFIJZSA-N 436.920 4.851 50 1 IJGF C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587500556 SIWOXVVMAUKKAI-XMHCIUCPSA-N 429.310 4.938 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 587696679 LTKWWJORPPXNEX-IUPYPOTJSA-N 448.767 4.988 50 1 IJGF Cc1ccnc2c1CCN[C@@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@H](C)Br 963076958 UZCGHLVSHBUHMR-OYHNWAKOSA-N 431.374 4.514 50 1 IJGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 13779084 PZSORPIBHAIPTA-UHFFFAOYSA-N 443.507 4.630 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 35902358 WUFQCIGCCUNWQP-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C/c3ccc(O)cc3)c12 40395249 DNFVWIKHLTYLMQ-OGLMXYFKSA-N 447.498 4.865 50 1 IJGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372796 ARVQVBBTIFZFRV-DEOSSOPVSA-N 429.944 4.908 50 1 IJGF CCCN(CCC)NC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 1857576824 QNLMYRBFOJIBQX-CCEZHUSRSA-N 432.612 4.975 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(CBr)cc21 587377700 OZGGMMTXKLUKEH-XMMPIXPASA-N 448.316 4.926 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 587681732 AHJSQZHKXRMKEH-MGNBDDOMSA-N 426.713 4.817 50 1 IJGF CC(C)(Cl)[C@H](Br)C[C@H](Br)[C@](C)(O)C=CBr 2356487937 SACBKXSNWDAOPS-KHQFGBGNSA-N 427.402 4.581 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)ccc1F 587894598 QKTUOSKUJGDQTK-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF C=CCS/C(NC)=C(\C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957861895 KXFAGGBDQIPIIF-NJNXFGOHSA-N 426.545 4.694 50 1 IJGF C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)CCOC(=C2C3CC4CC(C3)CC2C4)OO1 43544077 CHNVTJCOZZVSLY-ACDDGSSXSA-N 438.973 4.909 50 1 IJGF COc1ccc([C@]2(CCCCCCCl)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1OC 962891443 FIRBZACOHVQOHG-CYFREDJKSA-N 449.950 4.875 50 1 IJGF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587009131 WXDPAFDQCJWMRV-LBPRGKRZSA-N 438.258 4.901 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587683363 GQLKCPOLNVCOSH-BIBXISHDSA-N 437.740 4.802 50 1 IJGF O=C(CCCN=C=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 653821053 OQCKIWZCTBSNFB-UHFFFAOYSA-N 442.342 4.957 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCCC(=O)OC)c1C)CC2=O 587462338 YJQKWNSHMIJAPE-DEOSSOPVSA-N 447.959 4.816 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2O)N1 587728182 RLZVBWJGSNTQSS-XLFHBGCDSA-N 447.117 4.606 50 1 IJGF O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)[C@H](F)Br 40642181 FRGYGKGAWACTKQ-HNNXBMFYSA-N 445.260 4.801 50 1 IJGF CN(C=O)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587328503 USNAHROKFVEMHP-VWNXMTODSA-N 439.870 4.617 50 1 IJGF CCOP(=O)(OCC)c1cccc(OP(=O)(c2ccccc2)c2ccccc2)c1 68600680 BGNZHGDUWXPJHB-UHFFFAOYSA-N 430.377 4.886 50 1 IJGF biogenic Cc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538262 OLJXYMYMJBIVPR-DENIHFKCSA-N 425.278 4.953 50 1 IJGF C[C@@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326314 KRECRHUZBHIUNG-UPVQGACJSA-N 439.870 4.983 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)CCl)[C@@H](C2)C3=O 587418912 BUAQZKJZWCWRNV-DFBJGRDBSA-N 433.891 4.564 50 1 IJGF N#Cc1c(CCl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 587544755 NTQYWVKPWNHSOJ-YKSBVNFPSA-N 430.847 4.958 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCl)c(Cl)c1 587881110 NMPFLOQGUOBQHJ-UHFFFAOYSA-N 444.145 4.535 50 1 IJGF C[C@@H]1C=CC[C@H](Br)[C@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 2356412358 OHWBWBOWCXAQRI-RYAPBUNASA-N 426.576 4.702 50 1 IJGF C[C@H]1/C=C\C[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 169349468 OHWBWBOWCXAQRI-BEIBFAQFSA-N 426.576 4.702 50 1 IJGF C[C@@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326315 KRECRHUZBHIUNG-VWNXMTODSA-N 439.870 4.983 50 1 IJGF COc1ccc2cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)ccc2c1Cl 963473173 RXXFNRVGEAQHKS-FDDCHVKYSA-N 446.330 4.597 50 1 IJGF CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(Cl)c(Cl)c3)n2)c2ccccc21 73166088 IOYGEYCRSUNESZ-UHFFFAOYSA-N 442.350 4.873 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)OCCCO2 587541291 AONMOGXIRRTRGN-QPPBQGQZSA-N 438.863 4.649 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3cc(-c4cc(F)cc(F)c4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42852573 LOFWJVGOAIKYHU-WVQRGOIASA-N 447.482 4.604 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC[C@@H]2Br 587541601 CLNMONZBHICKDC-JTAQYXEDSA-N 437.289 4.959 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1 587570963 NACMXOWRTRVVED-NQIIRXRSSA-N 429.241 4.783 50 1 IJGF COc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587687989 JKHUOOASUQOKOD-QQKBFRNYSA-N 428.729 4.708 50 1 IJGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1ccccc1)[C@@]2(C)Br 169371001 IPDMCNITVPFWIY-ACXPCOKLSA-N 438.362 4.824 50 1 IJGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 40631683 VWDXBAYYLLRRDS-PLOVCHRTSA-N 448.445 4.535 50 1 IJGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 43490948 KHDYNQACPQKQHW-GMUMFXLYSA-N 438.520 4.668 50 1 IJGF CO[C@H](CO[Si](C)(C)N[Si](C)(C)OC[C@H](OC)c1ccccc1)c1ccccc1 195468621 BBXJSIZHVSRIQN-SZPZYZBQSA-N 433.697 4.788 50 1 IJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546867 YJUUPNODIPIXQO-YKSBVNFPSA-N 433.847 4.804 50 1 IJGF COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(O)cc3)n2)cc1 45255082 SRHIMPWZTUJTBG-JFLMPSFJSA-N 436.471 4.861 50 1 IJGF COCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688292 KTDLOEUTLLORII-YUNKPMOVSA-N 443.788 4.670 50 1 IJGF CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)Nn1c(-c3ccccc3)nc3ccccc3c1=O)C2 103275170 YTYZTTCFGXPQPQ-ITOXKIPPSA-N 429.524 4.519 50 1 IJGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)COc1cccc2ccccc12 1857545730 DTWQNTOMTAERGH-LGJNPRDNSA-N 449.894 4.680 50 1 IJGF C[C@@H]1CC=C[C@H](Br)[C@H]2C[C@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 2356613788 YLTAXFWQNWJZMS-NTQFVLIWSA-N 426.576 4.702 50 1 IJGF COC(=O)CCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496542 DTEIIIKPHBQPRI-XMMPIXPASA-N 429.944 4.646 50 1 IJGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501819 FUYWGMHVXQOLST-UGKGYDQZSA-N 447.300 4.803 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)OCCCO2 587541294 AONMOGXIRRTRGN-ZJSXRUAMSA-N 438.863 4.649 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 587683746 HXFWGWRUIUJEAH-NSPYISDASA-N 425.729 4.563 50 1 IJGF Cc1cc(Cl)cc(C(=O)N/N=C\c2ccc(F)cc2)c1NC(=O)c1cccnc1Cl 103217502 ZXBLBMWSFGZZOI-RAWMCFOBSA-N 445.281 4.852 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422337 TVFQHZPOPZIYTC-KBXCAEBGSA-N 427.216 4.752 50 1 IJGF CC[C@H](Br)[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669260 CKMUEIBQAREUKL-CDNVCLAFSA-N 442.170 4.935 50 1 IJGF CCCCCCC[C@H]1O[C@@H]1[C@@H](OC(=O)CCCCCBr)C(=O)NC(C)(C)C 1772626978 WMTKNWVDCHUBKF-NZSAHSFTSA-N 448.442 4.896 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3nncc3-c3cccc(Cl)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102330452 FGNGLEVDOUBJKC-DLQZLCHUSA-N 445.947 4.979 50 1 IJGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C\CC[C@@H](C)CC)CC[C@@H]2C(=O)O 238777429 QUAHWMKEEFBACJ-FDCUYHFRSA-N 442.552 4.608 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498851 JEKAEMMTVSNMOZ-QFIPXVFZSA-N 428.326 4.779 50 1 IJGF O=C([C@@H]1Cc2ccccc2[C@](CBr)(C2(c3ccccc3)CC2)N1)C(F)(F)F 962727641 ACBHJWNVPBSSSR-FXAWDEMLSA-N 438.287 4.654 50 1 IJGF C[C@@H]1CC=C[C@H](Br)[C@H]2C[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 2356613787 YLTAXFWQNWJZMS-MJJAGUKZSA-N 426.576 4.702 50 1 IJGF C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N\c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103195936 YHIFHKDOWUZFAR-ROGMILELSA-N 437.533 4.764 50 1 IJGF CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 299819586 ARHPPJTZWXXQHF-ZWEKWIFMSA-N 425.532 4.512 50 1 IJGF COc1ccc([C@]2(CCCCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(OC)c1 962729627 ILGZQSPPXFBBOY-GHTZIAJQSA-N 441.877 4.612 50 1 IJGF COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C#N 103277876 PFTKJMWAMZIEOO-JOCHJYFZSA-N 429.303 4.589 50 1 IJGF O=C1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587542542 HKQWCVDSHAPCOE-RCZVLFRGSA-N 449.890 4.763 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587686458 CUEVVDYDJTTXJH-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF O=C(O)c1cccc2c1CCN[C@@]2(CBr)c1c(Cl)ccc(F)c1Cl 963134138 CUAYOLACYGGFAU-QGZVFWFLSA-N 433.104 4.615 50 1 IJGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2Cl)s1 42966377 NJOIWRPUSFPCAL-QZTJIDSGSA-N 444.347 4.593 50 1 IJGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccncc1 45353619 JJHGVAYZNQNIOM-KBKYJPHKSA-N 433.821 4.965 50 1 IJGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 474610049 ZODHVVKGVTZMHZ-CAFJJDGRSA-N 446.850 4.505 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 587683307 GINKOWAYPFBTLT-MLCYQJTMSA-N 426.713 4.817 50 1 IJGF CCn1nc(C)c(/C=N\NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1C 15989719 XEFWFPZSPGGVAZ-DICXZTSXSA-N 427.552 4.904 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@H]2Br 587687231 YJDJAKWHRYVJKA-TZOQJCELSA-N 425.139 4.686 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2F)N1 587726549 KANHEGCITIKSSZ-QGHHPUGFSA-N 431.118 4.900 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Cl)c(N)c(Cl)c1)O2 587376982 ZKXBMHREOFKVGP-QGZVFWFLSA-N 430.129 4.722 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O 587419292 FTAOPIRRIKVLLS-KPZWWZAWSA-N 445.206 4.891 50 1 IJGF Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(C(=O)NNc3ccccc3)n2)cc1 653720256 ISXRSLZVRSBNAZ-UHFFFAOYSA-N 425.496 4.733 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(F)c(Br)c2[nH]1 587009525 JQYJQVLBHAKMFL-HNNXBMFYSA-N 449.711 4.585 50 1 IJGF CCOP(=O)(C[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC 587852307 ZTSDNWHLEZFORG-BZNIZROVSA-N 442.693 4.823 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1nccc2ccccc12 963067117 NKKHVBBBZVWYJQ-HSZRJFAPSA-N 434.337 4.576 50 1 IJGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCl)C(Cl)Cl 963903823 IDABCGXQUDZALM-BFUOFWGJSA-N 436.763 4.869 50 1 IJGF CC(C)OC(=O)/C(=N/NC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)o1)c1ccccc1 1857768202 QDWLTYHWCLDETQ-HIXSDJFHSA-N 444.604 4.887 50 1 IJGF O=C(N/N=C\c1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 15978977 NKOYTTWZDJNKOM-QFEZKATASA-N 431.293 4.823 50 1 IJGF CC(C)=CC(=O)OC=C[C@H]1[C@@]2(C)CC=CC(C)(C)OO[C@@]3(C)C[C@@H]4OCC(=CC2)[C@]41O3 2356588026 GBXVARXVYDSBKY-YHZVTLNSSA-N 430.541 4.923 50 1 IJGF C/C(=N\NC(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1)c1ccccc1O 474609800 VLHCQIQOYHSXEC-MNXJUHOTSA-N 431.879 4.692 50 1 IJGF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586930606 UADDUKQFQXUPTR-UHFFFAOYSA-N 443.419 4.755 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2nccs2)[C@H]1c1ccc(F)cc1 587372274 FGOHLHLUYOWGMW-QFBILLFUSA-N 434.286 4.637 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)cc(F)c2[nH]1 587009808 UMVDCISGHUKQSD-INIZCTEOSA-N 449.711 4.585 50 1 IJGF CCOC(=O)c1ccc2c(c1)nc(SC/C(O)=C(\C#N)c1nc3ccccc3[nH]1)n2CC 101519729 KBVZPDQZZNZOGF-HKWRFOASSA-N 447.520 4.694 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587542229 GHFINIVTDKJMLS-FDORUFNTSA-N 437.879 4.835 50 1 IJGF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O 27082751 HSHMYUQVBBSRDN-YZOQQBSESA-N 444.236 4.924 50 1 IJGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 474609688 SNHDTHKQDOQDNP-WFWKBIBJSA-N 446.850 4.505 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O 587414168 UFHSLRUMZUZDNU-CVDCTZTESA-N 442.353 4.723 50 1 IJGF COc1ccc(OC)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587541660 COWZIELOMCDWLA-REWPJTCUSA-N 426.852 4.505 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2([C@H](C)Br)C1(c2ccccc2)CC1 963585111 UKWYHBSQCFQQLV-PBPSECFOSA-N 430.386 4.949 50 1 IJGF COc1cc2c(cc1C(=O)Nc1ccc(C#N)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857773896 ZTNSVCTUHOPHGX-WNCULLNHSA-N 439.515 4.698 50 1 IJGF CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 34800067 FAZUHUXMTHLPAZ-UHFFFAOYSA-N 434.725 4.838 50 1 IJGF CCOC(=O)/C(C#N)=C\Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 95605231 QQQNCLFXYOGCLU-QBFSEMIESA-N 438.285 4.518 50 1 IJGF CC(=O)NC1=C(C#N)[C@@H](c2ccc(Br)cc2)c2ccc3ccc(C)nc3c2O1 103200336 BHVACUNZSVEGMG-IBGZPJMESA-N 434.293 4.701 50 1 IJGF N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614280 RQCAXTNATQGXEU-XLIONFOSSA-N 442.290 4.577 50 1 IJGF COc1ccc(Cl)cc1C#Cc1cc(C)cc(Br)c1NC(=O)CCl 587900888 VWSCNLWLDJZEGG-UHFFFAOYSA-N 427.125 4.997 50 1 IJGF O=C(Cl)C1=C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2O1 962951008 FXUJLLUXTJBOOW-QFIPXVFZSA-N 449.856 4.642 50 1 IJGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccc(C(F)(F)F)cc1 472791561 BVGOGMYYRIODOO-UHFFFAOYSA-N 425.838 4.653 50 1 IJGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587422779 RVJJBMFIDBWNKI-KBMIEXCESA-N 442.939 4.808 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2F)N1 587726546 KANHEGCITIKSSZ-BMLIUANNSA-N 431.118 4.900 50 1 IJGF CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335617 OJEAWUVEZLIZOJ-XXXVWZSFSA-N 446.453 4.894 50 1 IJGF Cn1c(O)cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587543078 ISGKVDSEPOWYDK-XUZZJYLKSA-N 435.863 4.685 50 1 IJGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587685650 REWXCRGJVFMMPJ-HOGDKLEQSA-N 427.745 4.752 50 1 IJGF CC1(C)CN2c3cc(Br)cc(c31)[C@]21c2ccccc2OC[C@@H]1Br 963069674 AUUNPCLRHNNOBL-LPHOPBHVSA-N 435.159 4.960 50 1 IJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccccc2CBr)N1 963180168 GHCKYNQCVGQYOP-BBRMVZONSA-N 448.666 4.942 50 1 IJGF COc1ccc2c(c1)c(CC(=O)NCCCCl)c(C)n2C(=O)c1ccc(Cl)cc1 13809381 DZIBFEXFMHDKQR-UHFFFAOYSA-N 433.335 4.588 50 1 IJGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2 169299473 HFXTYQITEZRVMW-WUTPFUBCSA-N 446.912 4.548 50 1 IJGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl 1857586465 AKIQZJQTKFUHRT-KBPBESRZSA-N 441.727 4.831 50 1 IJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4nc(C)cs4)c1C)[C@@H](C2)C3=O 587453772 YWLQOAQPFCVMBQ-JTSKRJEESA-N 428.941 4.749 50 1 IJGF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CBr 587875355 SPULVHYIZKPPOB-UHFFFAOYSA-N 441.152 4.607 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Br)([C@H](C)Br)O2 587372029 HCDZJEWXCNIRJU-VOJFVSQTSA-N 439.147 4.984 50 1 IJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546863 YJUUPNODIPIXQO-HYBUGGRVSA-N 433.847 4.804 50 1 IJGF COc1cc([C@]2(CBr)NCCc3cc(C)c(F)cc32)ccc1OC(F)F 962144371 KEZOHMSIQCYRQX-IBGZPJMESA-N 430.264 4.528 50 1 IJGF NC(=O)N/N=C/c1c(-c2ccccc2)n(CC(=O)c2ccc(Cl)cc2)c2ccccc12 103224026 GHKHQPVCYXFOEE-MZJWZYIUSA-N 430.895 4.847 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2nccs2)[C@@H]1c1ccc(F)cc1 587372268 FGOHLHLUYOWGMW-APWZRJJASA-N 434.286 4.637 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O 587422621 PIZFWPZHIINCFX-SCLBCKFNSA-N 443.215 4.632 50 1 IJGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587449074 DRIZKGRWXUJQCI-YGKZAACZSA-N 436.920 4.851 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@@H](C)N3C(C)=O)CC2=O 587462325 YEYQCEQDBPPOIA-SHACYNPGSA-N 427.928 4.742 50 1 IJGF C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(CF)c4)nc(-c4ccccc4F)c3C[C@H]12 1911578756 IWMOTEAUMWYIDT-SONIDQRYSA-N 442.469 4.913 50 1 IJGF O=P(COP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3181307 APIIZJWNTQTJMY-UHFFFAOYSA-N 432.396 4.904 50 1 IJGF biogenic C=CCO/C(O)=C1\C(C)=NC(SCC(=O)N(CC)CC)=C(C#N)[C@@H]1c1ccccc1 102692367 VKAZNDLKTITUOM-ZEZKVYLTSA-N 425.554 4.554 50 1 IJGF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@]1(CCBr)C(=O)OCC)CC2=O 587455602 DNROSCYZITWNLV-NHCUHLMSSA-N 439.346 4.567 50 1 IJGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@@H]1C(=O)c2cccc4cccc1c24)CC3 1857639081 QBEFZHRIDMPJJN-RBJSKKJNSA-N 429.479 4.702 50 1 IJGF COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587539729 XXMWLTNDAOEVEZ-SIKLNZKXSA-N 441.277 4.653 50 1 IJGF C[C@H](Br)[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923640 FPPHJLRCVCAQBY-MCVWCKRISA-N 448.357 4.808 50 1 IJGF CCOP(=O)(OCC)c1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1 68600689 ZPTVMHALCJCTSL-UHFFFAOYSA-N 430.377 4.886 50 1 IJGF biogenic CCCCCCCCCCCC(=O)NNC(=O)[C@@H]1Sc2ccccc2N(CC)C1=O 299835206 MAPNFCQQTMYDPS-NRFANRHFSA-N 433.618 4.582 50 1 IJGF CC(=O)Oc1ccc([C@@H](C)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 102140427 QSOYRDJKAPCQOP-SLNHJENASA-N 446.540 4.898 50 1 IJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534716 FBKFIPCNJBWEGQ-AVRDEDQJSA-N 433.957 4.620 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 587684572 LCSGVUNXDKHCCV-FKIZINRSSA-N 439.756 4.953 50 1 IJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)c2c(F)cccc2C[C@H]2CCCN21 963110568 NANCSMNNUPAEHF-LTTWPYNSSA-N 436.980 4.781 50 1 IJGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@H]1c1ccc(F)cc1 1911570668 RPTGKTMKMZBHML-NRFANRHFSA-N 426.403 4.523 50 1 IJGF O=C(O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587378380 UXJVAEIHEQTRTH-RXVVDRJESA-N 432.856 4.784 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587686412 UYIWLWYXSPPWHS-VPTHRUTESA-N 429.673 4.564 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](CC(C)C)NC(=O)OCc1ccccc1)O2 587374614 YZVRQMHOTBQKFU-URXFXBBRSA-N 444.959 4.861 50 1 IJGF N#C/C(=C(/O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 100765000 LRNQQUWOWXEYNT-FEYWKWKCSA-N 443.459 4.925 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(O)c2)[C@H]1c1ccc(F)cc1 587320164 FACVTQRBWAUQQZ-RBBKRZOGSA-N 443.268 4.886 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1OC(F)(F)F)O2 587381275 FNNPIFBROAZWMW-KRWDZBQOSA-N 430.220 4.731 50 1 IJGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689224 QZBZDACGSVZGCT-XAAFQQQXSA-N 440.740 4.620 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 43322967 JIYDMMUJCNTFKM-NBIYTONJSA-N 448.644 4.849 50 1 IJGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587371060 DATXYNJUWOQKAF-PZJWPPBQSA-N 431.330 4.570 50 1 IJGF COc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O 587508526 WHDJEDKFQZXTNE-NRFANRHFSA-N 435.289 4.674 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544820 PALMZWUZLBQEHH-WVRMYWEISA-N 437.879 4.835 50 1 IJGF CCn1c(C)cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1C 963179403 KLSDEQKRPRYBEI-DNVCBOLYSA-N 449.300 4.878 50 1 IJGF C[C@@H]1C=CC[C@H](Br)[C@H]2C[C@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 2356412357 OHWBWBOWCXAQRI-NTQFVLIWSA-N 426.576 4.702 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCBr)c1 587538534 PLGSWRJHPUFVJV-DENIHFKCSA-N 441.277 4.869 50 1 IJGF COc1ccc(Cl)cc1C#Cc1ccc(N2CCC[C@H](Br)C2=O)cc1C 587912694 NAOPWEGBACIJKN-IBGZPJMESA-N 432.745 4.947 50 1 IJGF N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539970 ZANYWOSWYUBFAM-DENIHFKCSA-N 436.261 4.516 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 587685322 PQVXPOOYEJXPDE-LBPRGKRZSA-N 445.804 4.736 50 1 IJGF COCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587688631 MORALBYPHTUGMK-YUNKPMOVSA-N 443.788 4.670 50 1 IJGF COc1ccc(Cl)cc1C#Cc1ccc(OCc2cccc(C(=O)NN)c2)c(Cl)c1 587902092 JJTLHGACGWDPCW-UHFFFAOYSA-N 441.314 4.584 50 1 IJGF CCOc1cccc(/C=N/NC(=O)c2cccc(Nc3ccnc(C(F)(F)F)c3)c2)c1O 96938929 XRBWFXBPHGRTHK-UVHMKAGCSA-N 444.413 4.712 50 1 IJGF C/C(=N\NC(=O)c1cccc(/N=N/[C@H](C)c2cc(O)ccc2O)c1)c1cc(O)ccc1O 169688570 GOQLWROMRNGESH-CSSXTMKZSA-N 434.452 4.508 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1 587571363 NIHXAQHMYCKLRI-GHTZIAJQSA-N 429.241 4.783 50 1 IJGF C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)CCOC(=C2C3CC4CC(C3)CC2C4)OO1 43544076 CHNVTJCOZZVSLY-JENGMOOGSA-N 438.973 4.909 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)oc3c2)[C@H]1c1ccc(F)cc1 587325473 FYUPBNQNACVYAJ-NZQKXSOJSA-N 439.826 4.871 50 1 IJGF N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539972 ZANYWOSWYUBFAM-SIKLNZKXSA-N 436.261 4.516 50 1 IJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 103208285 KDEMVAGGHJYALI-HXUWFJFHSA-N 426.432 4.558 50 1 IJGF Cc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538264 OLJXYMYMJBIVPR-SIKLNZKXSA-N 425.278 4.953 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@@H]2Br 587677988 BUIFYSZIGJRMBS-APEXYLGGSA-N 425.139 4.686 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587687318 FYVYLAQABTUSHP-KLRAXDNASA-N 447.776 4.566 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C(F)(F)F)cc1CCl 587892035 WMYRPPDTRRAHJR-UHFFFAOYSA-N 435.660 4.856 50 1 IJGF CC1(C)CC(C)(C)c2cc(NC(=S)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2S1 1857619380 VAWKXIRJOSAUCX-UHFFFAOYSA-N 444.582 4.778 50 1 IJGF COc1ccc(C(=O)CCC[C@H]2OO[C@@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 38158855 OOWSTJBJUKGZDR-TZRRMPRUSA-N 444.480 4.673 50 1 IJGF C[C@@H]1CC[C@H]2[C@@](C)(CC(=O)ONc3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190929 GEQBIDHBARGJRF-RDSVDHQXSA-N 437.920 4.605 50 1 IJGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327109 ONOUXGINBILZNY-DPOVEGGPSA-N 449.906 4.781 50 1 IJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@H](C)C[C@H](C)CC)CC[C@H]2C(=O)O 2356642818 VYQOUCVFZUSCOJ-OZWOBVFQSA-N 444.568 4.688 50 1 IJGF O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2cc(Cl)c(F)cc12 587628730 YRGRQERVJVZKHV-UHFFFAOYSA-N 435.680 4.694 50 1 IJGF COC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC 103201020 PZRZGENLQMCLLI-HVESIFNPSA-N 426.475 4.589 50 1 IJGF O=C(O)C[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498194 FZQWIHDIAWGQAE-DENIHFKCSA-N 429.310 4.664 50 1 IJGF Nc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(O)n1 587253902 SEVVKRKXLRITHV-UHFFFAOYSA-N 432.172 4.728 50 1 IJGF Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537346 DAFVVQWDFPKMOU-SIKLNZKXSA-N 425.278 4.953 50 1 IJGF CC[C@H](Br)[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670008 HMWRPLQZRAFSBM-VOZBZGINSA-N 442.170 4.935 50 1 IJGF C=C(C=O)[C@@H]1C[C@]2(C)C(=CC1=O)[C@H](OC(=O)C(C)=C[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O 2356642817 VYQOUCVFZUSCOJ-MHGXJYCRSA-N 444.568 4.688 50 1 IJGF C[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(C(=O)O)cc1 102097731 DZHBLHBMECUABL-GZAAOMQFSA-N 432.513 4.670 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](Br)CC(=O)O)CC2=O 587496640 YZIDJPXJOQLDFU-DNVCBOLYSA-N 439.327 4.505 50 1 IJGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963194755 OIWKVCFSKQMTPB-FESMNKHTSA-N 443.978 4.797 50 1 IJGF COc1cc2oc3c4cc(CC=C(C)CO)c(O)cc4oc(=O)c3c2cc1CC=C(C)C=O 2356512923 KVWLHIRVOKMRSB-UHFFFAOYSA-N 448.471 4.575 50 1 IJGF COC(=O)[C@]1([C@@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324975 WAEPLVFMZWGMKG-SFLYRZDNSA-N 440.854 4.782 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)CBr)c1)CC2=O 587456249 LMMSADUDIYRHRI-OAQYLSRUSA-N 432.314 4.559 50 1 IJGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534719 FBKFIPCNJBWEGQ-GCJKJVERSA-N 433.957 4.620 50 1 IJGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)c3cc4ccccc4o3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772631209 NKMVIBSODNFQGN-VXSNNBCPSA-N 428.481 4.594 50 1 IJGF CC(C)CC(=O)N(C)[C@H](C[C@H](C)C(Cl)Cl)C(=O)N1CCC[C@H]1c1nccs1 2356615307 DCNQGUXDRFBFHN-SOUVJXGZSA-N 434.433 4.510 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195521537 FRINQRNKFUDCAA-GPMLGPHSSA-N 448.644 4.705 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O 587412068 HFSBMBZWEGZRON-CVDCTZTESA-N 439.305 4.895 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)Cc1ccccc1 587537735 JVIJBNNADJZPAT-UGKGYDQZSA-N 425.278 4.730 50 1 IJGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687802 IBNMHVGIJQUWAQ-JGRMJRGVSA-N 440.740 4.620 50 1 IJGF COc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674499 XCHPZJHLHHXANE-VOJFVSQTSA-N 443.154 4.770 50 1 IJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587681111 KBCULCKJIMVIPM-SBKAZYGRSA-N 435.724 4.921 50 1 IJGF COCC1=C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 2356820002 FHACEKQZJUCDBT-AKIOZOGOSA-N 444.635 4.655 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)[C@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43889081 DFBXOAXDWYYGMV-ZGRGVXEESA-N 448.400 4.747 50 1 IJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587681067 KBCULCKJIMVIPM-CFMSYZGJSA-N 435.724 4.921 50 1 IJGF CCOP(=O)(COc1ccccc1P(=O)(c1ccccc1)c1ccccc1)OCC 68592239 UXWDIFSWQSBZSD-UHFFFAOYSA-N 444.404 4.928 50 1 IJGF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 587686858 XTLRXXHXVUTRCZ-WYRIXSBYSA-N 425.729 4.563 50 1 IJGF CCn1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(=O)c2ccc(C)nc21 103220890 VMTQMNPOAFRHKS-RWPZCVJISA-N 434.499 4.795 50 1 IJGF COc1ccc(/N=C(C(=C(\Cl)C(Cl)Cl)/[N+](=O)[O-])\n2nnc3ccccc32)cc1 169688831 MWAIRVPNTPVCSA-IYHCMYDXSA-N 440.674 4.549 50 1 IJGF O=C1C[C@@](CBr)(c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 587499668 OCFQYEGTFIRGNQ-HSZRJFAPSA-N 443.337 4.982 50 1 IJGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587544319 NQKNOTRTPPLXDS-NLFFAJNJSA-N 449.890 4.718 50 1 IJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)[C@H](Cl)C(=O)C(F)(F)F 961776068 KQTYNELLRDCPDY-UZLBHIALSA-N 446.897 4.792 50 1 IJGF COc1cc(Br)cc2c1OC(N)=C(C#N)[C@H]2CC(=O)c1ccc(Cl)cc1 1857774872 LJIONYINPMKNCE-ZDUSSCGKSA-N 433.689 4.554 50 1 IJGF CCO[P@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1 169712595 BEPNQRUVSGZKOU-WJOKGBTCSA-N 430.448 4.735 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)O2 587371469 FSCQVJHTUYLNPP-XMMPIXPASA-N 438.911 4.813 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)cc1C(F)(F)F)O2 587382804 SFWGMQWPIKFHRG-KRWDZBQOSA-N 432.211 4.991 50 1 IJGF C=C1OC(C)(C)[C@H](Br)C[C@]1(O)[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 85995972 LCWXSHUNEUSYLE-URFZWBKFSA-N 430.608 4.755 50 1 IJGF biogenic CCOC(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500172 RKIBMUJRLORGJI-HSZRJFAPSA-N 443.337 4.998 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587686194 BXJAAVWUUODUPP-RDBACFOTSA-N 425.729 4.584 50 1 IJGF Cc1ccc([C@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)o1 962964302 ZOXYFYNWSZRYJT-LJQANCHMSA-N 444.291 4.897 50 1 IJGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)NC[C@H]4CC(=O)N(C)c5cccc3c54)c2C)c1 963032890 UDOXSRNJKNWJMN-BCHFMIIMSA-N 433.983 4.938 50 1 IJGF O=C1C[C@@](CBr)([C@H]2COc3ccccc3O2)Oc2c1ccc1c2CCCC1 587500105 QKZBSNDLHLVRAR-IFMALSPDSA-N 429.310 4.504 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546445 QTJAPILZDYSOCF-HWQVMBPGSA-N 446.890 4.872 50 1 IJGF O=C(CCN=C=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 653821067 PVWCQONQUIDONA-UHFFFAOYSA-N 428.315 4.567 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCl)cc2)N1 587684771 MFTMEMVMQUVWLL-YUNKPMOVSA-N 439.756 4.953 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(F)c2)N1 587735155 WPIJGWITFFDHHJ-BMLIUANNSA-N 431.118 4.900 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2O)N1 587730053 IFFPBMFXBIZYIA-XYZCENFISA-N 447.117 4.606 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169368219 OGMRMRYIHJURJL-HYLBKLPUSA-N 434.373 4.706 50 1 IJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@]2(O)[C@]1(N=C)[C@H]1O[C@@H]1C5(C)C 2356480686 MKRVHEXNGFBKJC-HGRRCTJHSA-N 438.999 4.964 50 1 IJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 49766923 JVDBYHMYZZPANM-UHFFFAOYSA-N 432.476 4.742 50 1 IJGF CC1(C)c2[nH]c(Br)nc2/C=C\N2C(=O)C[C@H]3c4ccccc4N[C@]32C[C@H]1Cl 14695301 RIOWJYUGPBYKPY-CIVPUMIQSA-N 447.764 4.570 50 1 IJGF C[C@@]1(OC/C=C/c2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 140064418 FDPBKGIKXYISBY-YZNGJMCCSA-N 442.577 4.838 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587687408 GOVVSIDPJVBIND-XAAFQQQXSA-N 439.756 4.952 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587690143 ZMDKTAMBZBEMHS-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838195 MLFYFEBGUSPTFK-DMZKTXOQSA-N 430.317 4.965 50 1 IJGF O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477456 LKODFWRHNUZUQV-SLJSGOMNSA-N 445.468 4.880 50 1 IJGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 2356854607 RQQFTEHELDUPHF-GZZORMBGSA-N 429.070 4.578 50 1 IJGF Cc1ccc2c(=O)c3cccc(CC(=O)N/N=C/c4cc(Cl)ccc4O)c3oc2c1C 103299311 IRHACRHGIAVYMC-RPPGKUMJSA-N 434.879 4.615 50 1 IJGF Cc1ccc([C@@]2([C@@H](Br)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499732 OOGHTWMGKZFPHD-NZQKXSOJSA-N 443.337 4.973 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 587691855 ABMFNBUTAVFXKH-RAIVTMKUSA-N 448.767 4.988 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c(F)c1 587894252 FEFDZVYUPCTJBN-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF COc1ccc(OC)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499701 OENNGMNHTTWZLJ-QFIPXVFZSA-N 431.326 4.838 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)Cn1nnc2ccccc21 963188342 AMGLIDGDIOSVLF-JWQCQUIFSA-N 427.939 4.689 50 1 IJGF CC(C)(Cl)[C@H](Br)C[C@H](Br)[C@@](C)(O)C=CBr 2356487940 SACBKXSNWDAOPS-WEDXCCLWSA-N 427.402 4.581 50 1 IJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(C2c3ccccc3Oc3ccccc32)CC1 49762456 FVWNSKCGLSHUMS-UHFFFAOYSA-N 431.448 4.607 50 1 IJGF Cn1c(C(=NNC(=O)c2cc(Br)ccc2O)c2ccccc2)cc2ccccc21 254085954 ASLYMHMCCPQQDZ-UHFFFAOYSA-N 448.320 4.829 50 1 IJGF Cc1csc([C@H](C#N)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587370689 ARLTXIKCNUSKTA-KPLVRAHFSA-N 442.899 4.940 50 1 IJGF Cn1c(O)cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587543082 ISGKVDSEPOWYDK-ZJSXRUAMSA-N 435.863 4.685 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 587681733 AHJSQZHKXRMKEH-MLCYQJTMSA-N 426.713 4.817 50 1 IJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccc(Br)cc21 587457684 AVLPXKBRFCSHRY-OAQYLSRUSA-N 426.266 4.768 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587688555 MHLZCVHUQZDTFX-WQFAYQGZSA-N 447.776 4.566 50 1 IJGF CN1Cc2cc([C@@]3(CCl)c4ccsc4CCN3Cc3cccnc3)ccc2NC1=O 963020070 ZLGFNPMUONIIBX-QHCPKHFHSA-N 438.984 4.661 50 1 IJGF Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 72126032 FRGMRSIDDFYOMG-VWLOTQADSA-N 448.526 4.751 50 1 IJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587672405 FSXHROZUBSHMLZ-BBATYDOGSA-N 443.154 4.770 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(CCl)n2)s1 587897519 HQRXIPLDYJQONH-UHFFFAOYSA-N 440.739 4.554 50 1 IJGF C[C@@H]1CC[C@H]2[C@](C)(COC(=O)c3cc4ccccc4o3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772631208 NKMVIBSODNFQGN-VREVEGHKSA-N 428.481 4.594 50 1 IJGF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)CCCl)cc1C2=O 1857535165 DYDYKLHDTONBRQ-UHFFFAOYSA-N 429.900 4.607 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1F 587568408 LMNNDOWBMAGABK-LAUBAEHRSA-N 447.231 4.922 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1sccc1Br)[C@@H](C2)C3=O 587449727 CKYKKSHGCLJGKT-QFYYESIMSA-N 444.144 4.557 50 1 IJGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCCCl)(c2cccc(F)c2)N1 962711572 MNWIUJAAELYMFD-HKUYNNGSSA-N 433.804 4.845 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)cccc1C(F)(F)F)O2 587382271 OEWCLEGDXPTOOQ-KRWDZBQOSA-N 432.211 4.991 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2O)N1 587728181 RLZVBWJGSNTQSS-VVVCHXIZSA-N 447.117 4.606 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 34947216 JLSTVOPSMZBZSR-UHFFFAOYSA-N 427.460 4.828 50 1 IJGF in-vitro C[C@@H]1CC[C@@H]2[C@](C)(Br)[C@H](Nc3ccccc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101267469 IPDMCNITVPFWIY-DGTJOMFSSA-N 438.362 4.824 50 1 IJGF NCCOCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 137637287 CMTZBJKRNWAXGG-UHFFFAOYSA-N 443.584 4.525 50 1 IJGF COc1cc2c(cc1OC)[C@@](C)(c1oc3ccccc3c1NC(=O)CCl)N(C)[C@@H](C)C2 962628288 OWTVDMCKLAQPLS-BSEYFRJRSA-N 442.943 4.767 50 1 IJGF CC(C=CC=O)=CC=CC(C)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@]21C 2356442110 OOLFHQKWNFLQEI-DMOQCNCNSA-N 440.580 4.818 50 1 IJGF CCC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36311295 PIMLEBQFJQCQID-UHFFFAOYSA-N 425.488 4.998 50 1 IJGF COc1ccc(N[C@@]2(C(F)(F)F)O[C@@H]3O[C@@]4(C)C[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 1857582317 CIVNUMAYWPAFPD-DLJUDYGDSA-N 443.462 4.858 50 1 IJGF Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324290 XOTUHLCMYXLRMK-IFMALSPDSA-N 442.284 4.763 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418023 RFBPDAWEDXCYCU-DNVKUUNQSA-N 433.891 4.584 50 1 IJGF CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587685655 REWXCRGJVFMMPJ-ZRNGKTOUSA-N 427.745 4.752 50 1 IJGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933849 NVMTZMJRQZQKOF-SXUTZIHKSA-N 449.595 4.973 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587009511 JATQCLFUHUCHLJ-KRWDZBQOSA-N 436.821 4.582 50 1 IJGF COc1cccc2cc(C(=O)/C=C/c3cc[n+](Cc4ccc(CCl)cc4)cc3)c(=O)oc12 95562674 VGHADGWAQLQJMZ-MDZDMXLPSA-N 446.910 4.772 50 1 IJGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587422774 RVJJBMFIDBWNKI-CLOONOSVSA-N 442.939 4.808 50 1 IJGF C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546398 WLZNYZIOZZFIEA-QPPBQGQZSA-N 437.879 4.837 50 1 IJGF COc1ccc(S(=O)(=O)N(CCCl)c2ccccc2-c2ccc(C#N)cc2)cc1 473090269 NUBBZEVKYYHAEU-UHFFFAOYSA-N 426.925 4.668 50 1 IJGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F 587381421 IOBBKOUCAQQUOW-GOSISDBHSA-N 444.247 4.860 50 1 IJGF CCOC(=O)[C@@]1(CCBr)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498960 KNRVSARTIYCOKL-VXKWHMMOSA-N 435.358 4.788 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCBr)c2)N1 587671722 AHUVCTKUUFZRRI-ZMZPIMSZSA-N 443.154 4.986 50 1 IJGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccccc4N[C@@]32C[C@H]1Cl 2356500210 RIOWJYUGPBYKPY-ASNKJTAVSA-N 447.764 4.570 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3nncc3-c3cc(F)cc(F)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102070765 RYMVHFWYHOIMRT-NWNVFBJQSA-N 447.482 4.604 50 1 IJGF C[C@@H]1CC[C@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1ccccc1)[C@@]2(C)Br 195284461 IPDMCNITVPFWIY-SRYLZWHESA-N 438.362 4.824 50 1 IJGF O=C1c2cc(Cl)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr 28711218 SBUGLDCVZLGRMA-UHFFFAOYSA-N 447.672 4.560 50 1 IJGF COc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1OC(=O)CCl 95591915 MZTYDLFHLSONIH-VMPITWQZSA-N 442.895 4.928 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 587689221 QZBZDACGSVZGCT-FKANQGBASA-N 440.740 4.620 50 1 IJGF O=NN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 34800063 XHZBOSUWEVHTOZ-UHFFFAOYSA-N 449.696 4.890 50 1 IJGF O=C(O)C[C@@H](Br)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530720 HBHNJXJMIVTMQP-OXQOHEQNSA-N 435.339 4.726 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)cc1F 587894210 VBKKBTGCEPKRDD-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccc(C(=O)NN)cc2)c(Cl)c1 587902470 WBZFBQGPBJYYHC-UHFFFAOYSA-N 441.314 4.584 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 587685260 OYZXEYRHXBFBMV-ODXCJYRJSA-N 440.740 4.766 50 1 IJGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587686333 CQVBFYPUNOLNPV-NSPYISDASA-N 428.729 4.622 50 1 IJGF CC(=O)NCCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498366 NLDDCCCDTOGAFC-VWLOTQADSA-N 425.956 4.734 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1F 587566937 CGYCAOUNDBTYFI-NQIIRXRSSA-N 447.231 4.922 50 1 IJGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587686459 CUEVVDYDJTTXJH-XAAFQQQXSA-N 439.756 4.952 50 1 IJGF Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C\c3ccc(O)cc3)c12 28641477 DNFVWIKHLTYLMQ-QRQIAZFYSA-N 447.498 4.865 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(F)ccc1Br)O2 587384699 IKOACNNIGMUCNB-QGZVFWFLSA-N 443.110 4.734 50 1 IJGF COc1cccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587671792 AVCFBAQFPISUBV-ZMZPIMSZSA-N 443.154 4.770 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 587691857 ABMFNBUTAVFXKH-WTAXBJLLSA-N 448.767 4.988 50 1 IJGF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O 27082763 HSHMYUQVBBSRDN-APEXYLGGSA-N 444.236 4.924 50 1 IJGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccc(Br)cc1 103228887 WIBURXOLCCODID-QOMWVZHYSA-N 429.277 4.555 50 1 IJGF COc1ccc2cc([C@]3(CBr)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587373684 MVVLXCCZGSTJCA-JOCHJYFZSA-N 426.310 4.995 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCCC2=O)cc1 587544811 OYROOLSPCBELDG-RDGATRHJSA-N 449.890 4.615 50 1 IJGF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CBr 587874559 BQAKJRBTCFETQX-UHFFFAOYSA-N 441.152 4.607 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(CBr)cc1 587874569 BYOLSDCULWNLKT-UHFFFAOYSA-N 425.153 4.793 50 1 IJGF C[C@H](C(=O)NCCCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 618009064 REWIKDZMQXZYBU-INIZCTEOSA-N 436.668 4.532 50 1 IJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857651337 GXGMYGMQEGRTEP-BRJLIKDPSA-N 434.387 4.510 50 1 IJGF COc1ccc(C(=O)CCC[C@@H]2OO[C@@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 195187092 OOWSTJBJUKGZDR-SMIHKQSGSA-N 444.480 4.673 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)O2 587373806 SXLDOSMSJJJSRN-QHCPKHFHSA-N 439.899 4.992 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cc(F)ccc1F)[C@H](C)Br 963635716 NYXKILLNNBYMGF-PVUDRZGPSA-N 426.301 4.543 50 1 IJGF CC1(C)O[C@](C)([C@@H]2C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O)CC[C@@H]1Br 85637875 IRRMTQLHFCMBHU-YLHZTVIJSA-N 432.624 4.630 50 1 IJGF biogenic O=C1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587542544 HKQWCVDSHAPCOE-WIOPSUGQSA-N 449.890 4.763 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 587682592 DDLNPUNKEQKHMJ-FKIZINRSSA-N 440.740 4.766 50 1 IJGF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586948035 BKRZABNGUVXCMV-UHFFFAOYSA-N 429.392 4.964 50 1 IJGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCBr)c(OC)c1)CC2=O 587456985 UGWAFNNQBHMCSE-LJQANCHMSA-N 435.314 4.834 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ccc(CC(=O)O)s1 963194600 NQQLPSUHUKBIFJ-ZJSXRUAMSA-N 436.964 4.981 50 1 IJGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499391 MSWVUELGHMCJPD-JTHBVZDNSA-N 443.337 4.753 50 1 IJGF Cc1oc(C(=O)O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329272 XPIGJFFKXMXXHY-KNQAVFIVSA-N 430.815 4.624 50 1 IJGF Cc1ccc(CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874947 KYIXHTSWKYRFBH-UHFFFAOYSA-N 425.153 4.907 50 1 IJGF Cc1cc2c(cc1F)[C@](CCl)(c1nnc(-c3ccc(Br)cc3)o1)NCC2 962145448 LUZPYIMAVPVSEB-LJQANCHMSA-N 436.712 4.575 50 1 IJGF COCC1=C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 2356820004 FHACEKQZJUCDBT-RDUHTLEXSA-N 444.635 4.655 50 1 IJGF CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 103201041 YXWCSRIEBYZICK-SELCWUDQSA-N 440.502 4.982 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587686413 UYIWLWYXSPPWHS-ZKANADHPSA-N 429.673 4.564 50 1 IJGF COc1ccc(OC)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689784 WDQJBGPZCRWJGQ-WLRWDXFRSA-N 428.729 4.622 50 1 IJGF O=C1OCCN1c1ccc([C@]2(CCl)c3ccsc3CCN2Cc2ccco2)cc1 962719106 XJMVAQKNSGEKGU-JOCHJYFZSA-N 428.941 4.838 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O 587456030 IVIHYHAIHWYLFM-FQEVSTJZSA-N 434.286 4.817 50 1 IJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(CBr)CC[C@@H]1CCCO1 962717603 QKGFSXIVLLXQRE-GUXCAODWSA-N 428.411 4.739 50 1 IJGF O=C(O)c1cccc2c1CCN[C@]2(CBr)c1c(Cl)ccc(F)c1Cl 963134136 CUAYOLACYGGFAU-KRWDZBQOSA-N 433.104 4.615 50 1 IJGF COc1ccc(C(=O)CCC[C@H]2OO[C@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 137758937 OOWSTJBJUKGZDR-HJOGWXRNSA-N 444.480 4.673 50 1 IJGF CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716309 NTGCEDHKGRLBHP-DCILXKBHSA-N 430.541 4.586 50 1 IJGF Cc1oc(C(=O)O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329278 XPIGJFFKXMXXHY-UGKGYDQZSA-N 430.815 4.624 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 587687800 IBNMHVGIJQUWAQ-FKANQGBASA-N 440.740 4.620 50 1 IJGF C[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(C(=O)O)cc1 102097734 DZHBLHBMECUABL-YXEWBSTKSA-N 432.513 4.670 50 1 IJGF C/C(=N\NC(=O)c1c(N)sc2c1CCCC2)c1cc2c(ccc3ccccc32)oc1=O 103291490 FTODBRJGBBJUCR-LGJNPRDNSA-N 431.517 4.623 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C)ccc1OC(F)F)O2 587383190 RNVBJAWSHGPTGP-IBGZPJMESA-N 426.257 4.743 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)OCCCO2 587541293 AONMOGXIRRTRGN-XUZZJYLKSA-N 438.863 4.649 50 1 IJGF Cc1ccc(N=c2[nH]nc(SCC(O)=C(C#N)c3nc4ccccc4[nH]3)s2)c(C)c1 1857623442 LYTQAQGSAFPSPH-UHFFFAOYSA-N 434.550 4.782 50 1 IJGF COc1cc(Br)cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1O 49068007 KAKLMRHKKABCOI-DNTJNYDQSA-N 439.718 4.795 50 1 IJGF CN(C)c1ccc(/C=C/C(=N\NC(=O)Nc2ccc(F)cc2)c2ccc(O)cc2O)cc1 103200923 KGKDQOLJMJPKKP-VGTSSDOASA-N 434.471 4.542 50 1 IJGF O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501818 FUYWGMHVXQOLST-SIKLNZKXSA-N 447.300 4.803 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587569559 RBGHBRQBEJSYEI-REWPJTCUSA-N 441.842 4.586 50 1 IJGF CC(=O)Oc1ccc([C@H](C)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 169347156 QSOYRDJKAPCQOP-WOLBPCHVSA-N 446.540 4.898 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccnc2)[C@@H]1c1ccc(F)cc1 587323634 SFYWODVLRYYUSS-TZIWHRDSSA-N 428.257 4.576 50 1 IJGF O=C1C[C@](CBr)([C@@H]2COc3ccccc3O2)Oc2c1ccc1c2CCCC1 587500108 QKZBSNDLHLVRAR-UNMCSNQZSA-N 429.310 4.504 50 1 IJGF CC[C@H](Br)[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587670006 HMWRPLQZRAFSBM-PBQZTSCYSA-N 442.170 4.935 50 1 IJGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)NC1CCCC1 299832187 SNLXXZCYABKWIX-UHFFFAOYSA-N 432.568 4.589 50 1 IJGF C[C@H](Br)[C@]1(C2CCCCC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962644450 RCQWWEXTUKPJGS-MPMWTEJESA-N 445.401 4.892 50 1 IJGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4cccc(F)c4)cc3)[nH]c2cc1C 1857549204 NKGYXVRTOGFKNB-UHFFFAOYSA-N 433.512 4.617 50 1 IJGF C[C@]1(OC/C=C/c2ccccc2)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 58668929 FDPBKGIKXYISBY-NSEJCYJOSA-N 442.577 4.838 50 1 IJGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCCC2)c2ccccc12 95596724 HKKSOXBHRICOQM-HEHNFIMWSA-N 434.584 4.647 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587417737 PHVGUUUZARMTTP-XQNYSFAXSA-N 427.928 4.950 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 587700779 MGUQMOBYBVSAKU-NQQFHWGISA-N 448.767 4.988 50 1 IJGF COc1ccc(Cl)c2c1CCN[C@@]2(CBr)c1ccc(Cl)c([N+](=O)[O-])c1 963258705 QEDZFZKBOQWRCY-KRWDZBQOSA-N 446.128 4.694 50 1 IJGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)c1cc2c(s1)CCCC2 1857575242 XAAJHCSNQHTPLR-FOKLQQMPSA-N 429.929 4.702 50 1 IJGF CN(CCCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCC[C@H]1CCSS1 35971448 XPNAZTPQGGWZEY-INIZCTEOSA-N 446.034 4.909 50 1 IJGF CSc1nc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@H]1Cl)N2 102810475 RSLNDYJKMKNRDV-HIFRSBDPSA-N 446.960 4.649 50 1 IJGF Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587754840 LHBWUUHVYMCAAW-AXUSYVAISA-N 428.349 4.644 50 1 IJGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccco2)cc(C(F)(F)F)c1 1857651801 NPMLNIGYWSZSJS-UHFFFAOYSA-N 430.854 4.846 50 1 IJGF CCSc1nc(N2C[C@@H](C)O[C@H](C)C2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 13682784 QIMYRQJTAQJYHJ-IIDMSEBBSA-N 431.993 4.532 50 1 IJGF COc1ccc(/C=N/NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1OC 98082077 KIUAJWJGRBFCBV-UVHMKAGCSA-N 444.413 4.625 50 1 IJGF Cc1oc(C(=O)O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329275 XPIGJFFKXMXXHY-SIKLNZKXSA-N 430.815 4.624 50 1 IJGF Cc1cc2c(cc1F)[C@@](CCl)(c1nnc(-c3ccc(Br)cc3)o1)NCC2 962145387 LUZPYIMAVPVSEB-IBGZPJMESA-N 436.712 4.575 50 1 IJGF C[C@@H](Br)[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923643 FPPHJLRCVCAQBY-OEVHLYDDSA-N 448.357 4.808 50 1 IJGF Cc1c(O)ccc2c1[C@](CCCCCl)(c1ccc(F)c(Cl)c1)N[C@H](C(=O)O)C2 963468940 JCIIFXXJZKTYNS-UWJYYQICSA-N 426.315 4.745 50 1 IJGF Cc1ccc(NC(=S)NNC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1 1857551894 SNZZDLNFBSLHII-UHFFFAOYSA-N 429.549 4.787 50 1 IJGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21 1857609927 GFIQBKAQDFKEHL-VWLOTQADSA-N 444.498 4.738 50 1 IJGF CC(C)CC(=O)N(C)[C@H](C[C@@H](C)C(Cl)Cl)C(=O)N1CCC[C@H]1c1nccs1 2356615306 DCNQGUXDRFBFHN-QLFBSQMISA-N 434.433 4.510 50 1 IJGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(C(F)(F)F)ccc2[nH]1 95562607 SMWKUDPBUODHJO-PGGKNCGUSA-N 440.219 4.809 50 1 IJGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687803 IBNMHVGIJQUWAQ-XAAFQQQXSA-N 440.740 4.620 50 1 IJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@H]2[C@@H]1C(=O)[C@H]1C[C@H](Br)C3(OCCO3)[C@H]12 299859059 VNTNHARVKKWVGM-DZTUFKMZSA-N 445.470 4.519 50 1 IJGF N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614279 RQCAXTNATQGXEU-PXNSSMCTSA-N 442.290 4.577 50 1 IJGF C[C@@H]1C=CC[C@H](Br)[C@H]2C[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 2356412356 OHWBWBOWCXAQRI-MJJAGUKZSA-N 426.576 4.702 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684007 IXTJKXCKWNFLGN-WYRIXSBYSA-N 436.712 4.655 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587684079 KFYQFGZDEQEKEK-ZRNGKTOUSA-N 427.745 4.752 50 1 IJGF O=C(O)c1ccccc1[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962991700 DZNIFEUVINRAAE-NRFANRHFSA-N 443.366 4.538 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587688413 MHLZCVHUQZDTFX-DQNAHFDYSA-N 447.776 4.566 50 1 IJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)c2c(F)cccc2C[C@@H]2CCCN21 963110572 NANCSMNNUPAEHF-QYAOSYFDSA-N 436.980 4.781 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2O)N1 587731797 ZZESMZMHNQUGLP-XYZCENFISA-N 447.117 4.606 50 1 IJGF O=CC1=C(Sc2ccc(F)cc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45258074 PYJTVLDBUJQORD-UHFFFAOYSA-N 426.538 4.972 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc2c(c1)OCCO2 587541467 BWDQDUGBPYFZTG-QPPBQGQZSA-N 438.863 4.649 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684005 IXTJKXCKWNFLGN-NSPYISDASA-N 436.712 4.655 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687788 IABAWSPDDAGTPI-HTGLOVNISA-N 439.756 4.952 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccnc2)[C@@H]1c1ccc(F)cc1 587323631 SFYWODVLRYYUSS-CTNGQTDRSA-N 428.257 4.576 50 1 IJGF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CC(Cl)C1 261132157 LKGWPHHIJYCDSR-SXFOHPBWSA-N 447.019 4.677 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)([C@H](C)Br)CC2=O 587457442 ZNLASSRPZOOLMA-LAJNKCICSA-N 433.298 4.718 50 1 IJGF C[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(C(=O)O)cc1 43947362 DZHBLHBMECUABL-KXGIONCQSA-N 432.513 4.670 50 1 IJGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)N(CC)CC)c2ccccc12 95595020 ITCYFHUOWHEQDL-HEHNFIMWSA-N 436.600 4.893 50 1 IJGF CCOC(=O)[C@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327991 SHAWZKFVYOSRFR-NFBKMPQASA-N 434.891 4.991 50 1 IJGF CC(=O)NC1=C(C#N)[C@H](c2ccc(Br)cc2)c2ccc3ccc(C)nc3c2O1 103200334 BHVACUNZSVEGMG-LJQANCHMSA-N 434.293 4.701 50 1 IJGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672200 DZUOVQWLVROJAY-BBATYDOGSA-N 443.154 4.770 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)c(F)cc2[nH]1 587010027 ZRLKDJLVDQKZKQ-KRWDZBQOSA-N 449.711 4.585 50 1 IJGF COc1ccc(C(=NNC(=O)c2cc3ccccc3cc2O)c2ccc(OC)cc2)cc1 68582048 URLFEEMCNZZGIA-UHFFFAOYSA-N 426.472 4.745 50 1 IJGF biogenic O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCCl)(c2cccc(F)c2)N1 962711599 MNWIUJAAELYMFD-PKOBYXMFSA-N 433.804 4.845 50 1 IJGF C/C(=N\NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cc2c(ccc3ccccc32)oc1=O 103291514 QZVYCMGJFCYHJN-UDEVTBGLSA-N 425.419 4.533 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN3C(=O)CC)CC2=O 587460687 OQOHXQROSDWZPC-DEOSSOPVSA-N 427.928 4.743 50 1 IJGF O=C(O)C[C@@H](Br)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501817 FUYWGMHVXQOLST-KNQAVFIVSA-N 447.300 4.803 50 1 IJGF COc1ccc2c([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587542608 HULOTWKTPBIGGT-XUZZJYLKSA-N 435.863 4.978 50 1 IJGF COC(C)(C)[C@@H](Br)c1nc2cc(Br)c(Br)cc2[nH]1 586971443 RXHRXTNRRWCDJZ-JTQLQIEISA-N 440.961 4.949 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(Br)c1F)O2 587387012 YVTHEFZRVJZOSD-KRWDZBQOSA-N 443.110 4.734 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O 587419440 CEUMQCUSCFVWKV-XOBRGWDASA-N 439.252 4.643 50 1 IJGF O=C(Cl)C1=C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2O1 962951007 FXUJLLUXTJBOOW-JOCHJYFZSA-N 449.856 4.642 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O 587453958 VPKLCNNQMJZYLQ-LHSJRXKWSA-N 442.334 4.857 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 587700151 LVFGPQGYKXMXNW-HUOXHTIJSA-N 448.767 4.988 50 1 IJGF Cc1cc(CBr)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874861 IUSAZUYBFYNZRQ-UHFFFAOYSA-N 425.153 4.907 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(CBr)c1 587894561 PAUHVMYCDIXFPY-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@H](Br)C34OCCO4)C(=O)[C@H]21 299859061 VNTNHARVKKWVGM-VRXFMZDNSA-N 445.470 4.519 50 1 IJGF COC(=O)CC[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587260566 ZOPZHSSVUYQHJD-QMMMGPOBSA-N 438.216 4.936 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCBr)c2)N1 587673105 KJOZTPFOXLNBNJ-VOJFVSQTSA-N 443.154 4.986 50 1 IJGF COc1ccc(Cl)cc1C#Cc1ccc(N2CCC[C@@H](Br)C2=O)cc1C 587912698 NAOPWEGBACIJKN-LJQANCHMSA-N 432.745 4.947 50 1 IJGF Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 1857591513 UWHJVEHAHCLWKK-UHFFFAOYSA-N 429.549 4.787 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@@H]1c1ccc(F)cc1 587327332 PGPYGNWGMUNGEO-OFNKIYASSA-N 438.842 4.606 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O 587419439 CEUMQCUSCFVWKV-VBKZILBWSA-N 439.252 4.643 50 1 IJGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1ccc(Cl)c(C)c1)NCC3 963056734 LZXABPDIXSLUKD-OAQYLSRUSA-N 431.761 4.989 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(Br)c1)O2 587376751 YAGMOJKQMIDQBD-KRWDZBQOSA-N 425.120 4.595 50 1 IJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@@H](C=O)[C@@]3(C)[C@@H](O)C[C@H]21 2356813009 CCENNDLEZKIMJZ-FRGVUBOYSA-N 444.612 4.510 50 1 IJGF CC[C@H](Br)[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669263 CKMUEIBQAREUKL-VZSAFFHGSA-N 442.170 4.935 50 1 IJGF C[C@@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547366 ZQVFWPBKFHXNDH-QPPBQGQZSA-N 437.879 4.837 50 1 IJGF CC(=O)n1cc(N(NC(=O)c2ccncc2)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 653708648 DEMVKWXVTJZGDX-UHFFFAOYSA-N 447.882 4.733 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 587700783 MGUQMOBYBVSAKU-XDTBSMBKSA-N 448.767 4.988 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(F)cc1CBr 587893424 SKSMLDVXZWWRJK-UHFFFAOYSA-N 447.106 4.877 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 587696681 LTKWWJORPPXNEX-RAIVTMKUSA-N 448.767 4.988 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1F 587559340 WKOTYAFWENTMFH-NQIIRXRSSA-N 447.231 4.922 50 1 IJGF Cc1ccc(-c2cn([C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 44361654 UHOZSDXXRUVYPX-KXZSJBCISA-N 425.529 4.634 50 1 IJGF O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53297442 XUSZDSSHSMNJHP-FCHUYYIVSA-N 444.878 4.627 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)COc1ccccc1 587539964 ZALNJEHPVGPXMA-DENIHFKCSA-N 441.277 4.567 50 1 IJGF COc1cc(/C=N/NC(=O)c2ccc(-c3cccc(Cl)c3)nc2C)cc(OC)c1OC 1857630523 REYOZFFLPDFTTB-DHRITJCHSA-N 439.899 4.500 50 1 IJGF N#Cc1ccc2c(C(=O)[C@@H](Br)CC[C@@H](Br)C(=O)Cl)coc2c1 587277989 BXTSYVUVCXPPMJ-NWDGAFQWSA-N 447.510 4.560 50 1 IJGF O=C(O)C[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498214 FZQWIHDIAWGQAE-KNQAVFIVSA-N 429.310 4.664 50 1 IJGF O=C([C@H]1Cc2ccccc2[C@](CBr)(c2cccc(Cl)c2)N1)C(F)(F)F 962730122 LTVMTSLPXAFZNK-WBVHZDCISA-N 432.667 4.624 50 1 IJGF CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@H](O)C[C@@H]1[C@]2(C)CC[C@@H]2C[C@@]12C 2356680764 TVPGLKMZPNMCDZ-UGDXTEDLSA-N 425.407 4.863 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195521698 JIYDMMUJCNTFKM-CSOGRLDOSA-N 448.644 4.849 50 1 IJGF CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O)OO 535385393 SSECKXODJGCASI-KUJNIBRASA-N 443.606 4.604 50 1 IJGF in-vitro CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499389 MSWVUELGHMCJPD-GMAHTHKFSA-N 443.337 4.753 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@H]1Cc2ccccc21 587537269 CGCSPYKUDDJXJP-KPDCDPCYSA-N 437.289 4.827 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(COc2ccccc2)N1 587672712 HLMBSOTZMNOUHD-XIKOKIGWSA-N 443.154 4.792 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2nccs2)[C@@H]1c1ccc(F)cc1 587372276 FGOHLHLUYOWGMW-VQIMIIECSA-N 434.286 4.637 50 1 IJGF CCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687050 YPDXTCQYCCFNEJ-FKIZINRSSA-N 439.756 4.953 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195318607 FRINQRNKFUDCAA-USPINHGOSA-N 448.644 4.705 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 587686861 XTZOURLMAIFKQD-LBPRGKRZSA-N 445.804 4.736 50 1 IJGF CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 49113105 LJWJTKBSXQSQKT-YPTLJKNTSA-N 433.552 4.718 50 1 IJGF CCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546876 YKSCILUHOHNUDB-URXFXBBRSA-N 437.879 4.837 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 587683304 GINKOWAYPFBTLT-MGNBDDOMSA-N 426.713 4.817 50 1 IJGF O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53297451 XUSZDSSHSMNJHP-YADHBBJMSA-N 444.878 4.627 50 1 IJGF COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(O[C@@H](C)C(=O)NN)cc1 103293141 NSDGQNZVWSWZCN-XNWMQKSCSA-N 446.547 4.539 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)cc2)N1 587672682 HBJDTWWAZZJSJX-ZMZPIMSZSA-N 443.154 4.986 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(Cl)c2)N1 587674492 XCHBPPAKMLXGPT-ABKXIKBNSA-N 448.561 4.809 50 1 IJGF N#Cc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587538325 PBQJEDYKBWXZST-DENIHFKCSA-N 436.261 4.516 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCBr 587539942 YXGVSPJFKGSNEC-UGKGYDQZSA-N 441.277 4.869 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(F)c2)N1 587733358 QPLDYGPKYNVNAJ-QGHHPUGFSA-N 431.118 4.900 50 1 IJGF Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587850206 CPOVIVQTRPMMIE-YALKKGATSA-N 428.758 4.629 50 1 IJGF O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)cc1Br 1857579453 NJNRPLAPIOXNEC-UFFVCSGVSA-N 448.114 4.834 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1F)O2 587380920 CRBQDXGNWGIVAM-QGZVFWFLSA-N 443.110 4.734 50 1 IJGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587499625 NUHXMVPDXHVNBB-OAQYLSRUSA-N 446.297 4.738 50 1 IJGF CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587682629 DEDMRSLIIWGPLX-ZRNGKTOUSA-N 427.745 4.752 50 1 IJGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1C1CCCCC1 40677064 NLUWJPSDJLUGHC-JSMIYBGHSA-N 428.554 4.715 50 1 IJGF O=C1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587542543 HKQWCVDSHAPCOE-RDGATRHJSA-N 449.890 4.763 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 587696685 LTKWWJORPPXNEX-YXYNZYKKSA-N 448.767 4.988 50 1 IJGF Cc1cc(C(=O)N/N=C/c2ccc(Br)cc2)c2c(C)nn(-c3ccccc3)c2n1 1772640582 LOXVWSJOZPHQMB-ZMOGYAJESA-N 448.324 4.564 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587688415 MHLZCVHUQZDTFX-RWTORFTKSA-N 447.776 4.566 50 1 IJGF O=C(N/N=C(/N=N/c1ccc(Cl)cc1Cl)c1ccccc1)c1cc(O)c(O)c(O)c1 1772627515 URYXTLKYIHYNSJ-VNORZSCYSA-N 445.262 4.986 50 1 IJGF CC(=O)Oc1ccc([C@@H](C)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 58569435 QSOYRDJKAPCQOP-HJMDINJLSA-N 446.540 4.898 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]12C 195521538 FRINQRNKFUDCAA-DFZIRVKUSA-N 448.644 4.705 50 1 IJGF N#Cc1c(CCl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 587544752 NTQYWVKPWNHSOJ-GBXCKJPGSA-N 430.847 4.958 50 1 IJGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587501154 WGLJBCHUDMHGAZ-JOCHJYFZSA-N 431.326 4.838 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1F 587566936 CGYCAOUNDBTYFI-GHTZIAJQSA-N 447.231 4.922 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(F)c2)N1 587733352 QPLDYGPKYNVNAJ-BTDLBPIBSA-N 431.118 4.900 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587419598 HEQKQCZINNKUBB-KBXCAEBGSA-N 427.216 4.752 50 1 IJGF CCOP(=O)(C[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC 587852257 ZGROHBCDRGJAPZ-ZBEGNZNMSA-N 442.693 4.823 50 1 IJGF Cc1cc2c(cc1O)[C@](CCCCCl)(c1cccc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963521914 DIFIIBTWZXUJKW-RXVVDRJESA-N 441.877 4.971 50 1 IJGF O=C1OC(=O)c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)ccc21 586906920 HMLLCSXKRXTPEI-UHFFFAOYSA-N 449.260 4.882 50 1 IJGF COc1cc2c3c(c1)O[C@](c1c(F)cc(F)cc1F)([C@@H](C)Br)[C@@H](C2)C3=O 587424747 UDWYDFPBHSSGRA-HBMUXGDJSA-N 427.216 4.539 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 43322961 JIYDMMUJCNTFKM-RGMWDDHCSA-N 448.644 4.849 50 1 IJGF CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 103201039 YXWCSRIEBYZICK-GHNGSUTGSA-N 440.502 4.982 50 1 IJGF C[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587008692 NGBXYABNPLCZQE-VIFPVBQESA-N 448.264 4.838 50 1 IJGF Cc1ccnc2c1CCN[C@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@@H](C)Br 963076960 UZCGHLVSHBUHMR-QRQCRPRQSA-N 431.374 4.514 50 1 IJGF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 43322964 JIYDMMUJCNTFKM-IIJWTGSTSA-N 448.644 4.849 50 1 IJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587009373 CAEMKGSVGMLIQR-KRWDZBQOSA-N 438.812 4.841 50 1 IJGF COc1cccc(COC2=COC(CCl)=C[C@@]23CC(=O)c2cc(C)cc(N)c2O3)c1 587377701 XOJOIVQRQYZTHF-HSZRJFAPSA-N 427.884 4.501 50 1 IJGF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)CCCCl)cc1C2=O 1857556030 KOLUCLSHZMYQOP-UHFFFAOYSA-N 443.927 4.997 50 1 IJGF CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587690140 ZLSSWZICFZUWTR-ODXCJYRJSA-N 440.740 4.725 50 1 IJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CCCCl)(c3ccccc3F)N12 962666278 MWTXSXLKOCVOKB-DNQXCXABSA-N 426.919 4.735 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(C(F)(F)F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101318698 IIVIMLMUCQPYLB-OONIKLIFSA-N 434.373 4.704 50 1 IJGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587499624 NUHXMVPDXHVNBB-NRFANRHFSA-N 446.297 4.738 50 1 IJGF COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587673498 NJLRWNOSCIFPIU-BBATYDOGSA-N 443.154 4.770 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587688559 MHLZCVHUQZDTFX-YARKZXGKSA-N 447.776 4.566 50 1 IJGF CCOC(=O)[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 43946877 GMPZWTOABWNXHE-NKOVUWKESA-N 446.540 4.515 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)C(=O)OCC)CC2=O 587451942 LQXGVRARVPVBKS-UNMCSNQZSA-N 447.325 4.532 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@H](C)Cl)CC2=O 587460608 UTGYTDMYVSSOQJ-PSLXWICFSA-N 433.932 4.954 50 1 IJGF CC(C)(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 103278968 FDMYIRUITNWHOA-SCSAIBSYSA-N 446.186 4.576 50 1 IJGF N#Cc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(F)cc2)cc1 40394998 JRVDVVVTFKWORV-IDTSOLABSA-N 435.462 4.574 50 1 IJGF Cc1[nH]nc2c1[C@](c1cc(C#N)cc(-c3cccc(F)c3)c1)(C1CCC1)C(C#N)=C(N)O2 263620797 NKFOCXNKTOVVHH-VWLOTQADSA-N 425.467 4.568 50 1 IJGF in-vitro CN(C)CCSSCCCNC(=O)c1ccccc1Sc1ccccc1C#N 618008196 UGMONUHTRVJTSF-UHFFFAOYSA-N 431.652 4.772 50 1 IJGF Cc1c(Br)ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009520 JKNWBIXRLMVTSM-KRWDZBQOSA-N 445.748 4.754 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335613 OJEAWUVEZLIZOJ-UDULRIGQSA-N 446.453 4.894 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(CBr)ccc21 587376491 IWKBBWMQGYYHOR-DEOSSOPVSA-N 448.316 4.926 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689844 XBEHLLAOWHMXSK-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(C(C)(C)C)O2)cc1O 1772590281 DLGIHDRNZFKTHD-RUZDIDTESA-N 439.508 4.914 50 1 IJGF 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#CCCCBr 26002923 VWDXBAYYLLRRDS-QAGMZRMBSA-N 448.445 4.535 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587414451 MJTQBDHSSUXDHB-SAUNLDPVSA-N 437.717 4.784 50 1 IJGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 95569714 IXYFATODGBSIBF-XMMPIXPASA-N 425.463 4.847 50 3 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)O2 587381267 FKVRBNJOWRHUKG-QGZVFWFLSA-N 430.220 4.731 50 1 IJGF COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587539728 XXMWLTNDAOEVEZ-KNQAVFIVSA-N 441.277 4.653 50 1 IJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)Cn1nnc2ccccc21 963188322 AMGLIDGDIOSVLF-DQEYMECFSA-N 427.939 4.689 50 1 IJGF C[C@]1([C@@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321802 FJCARWUYMHSSBS-SFLYRZDNSA-N 439.870 4.895 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587685469 QWQVOWIJHJENLC-HOGDKLEQSA-N 427.745 4.752 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 587691858 ABMFNBUTAVFXKH-YXYNZYKKSA-N 448.767 4.988 50 1 IJGF CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1 3251201 WGJDLVSKFYRJIA-STBIYBPSSA-N 448.526 4.830 50 3 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3cc(-c4cccc(Cl)c4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44361769 VIMUGEAEQQPVAH-DUFGVIJSSA-N 445.947 4.979 50 1 IJGF Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587370691 ARLTXIKCNUSKTA-LQBOVUBWSA-N 442.899 4.940 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587417735 PHVGUUUZARMTTP-VUSMEJPJSA-N 427.928 4.950 50 1 IJGF CCOC(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499384 MSWVUELGHMCJPD-FYYLOGMGSA-N 443.337 4.753 50 1 IJGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534721 FBKFIPCNJBWEGQ-XMSQKQJNSA-N 433.957 4.620 50 1 IJGF COc1ccc(/C=N/NC(=O)c2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2)cc1 474610070 ZUFXHLIDVYBROH-PGMMUHLUSA-N 431.879 4.605 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2=O 587462331 YFSZJLMEERJWRJ-UGKGYDQZSA-N 425.953 4.837 50 1 IJGF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1OOCC=C(C)C 2356340032 FYMHPHPOYQJWDS-QIMADWELSA-N 440.492 4.776 50 1 IJGF N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CCl)c1=O 96935452 FLSXYEVIODCLCZ-KRWDZBQOSA-N 433.722 4.960 50 1 IJGF CCc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 103229544 BSWDYBGVEBKUNO-GUQQWVPNSA-N 434.542 4.732 50 1 IJGF O=C([C@@H]1Cc2ccccc2[C@@](CBr)(C2(c3ccccc3)CC2)N1)C(F)(F)F 962727644 ACBHJWNVPBSSSR-PXNSSMCTSA-N 438.287 4.654 50 1 IJGF COc1cccc2cc3c(nc12)[C@](CBr)(c1ccc(Cl)c(C)c1)NCC3 963056732 LZXABPDIXSLUKD-NRFANRHFSA-N 431.761 4.989 50 1 IJGF CC(C)[Si](O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5)(C(C)C)C(C)C 195498778 BSBARSWNBDVTIX-CXSMSNRLSA-N 443.660 4.948 50 1 IJGF Cc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009592 MWBKCPOTYRNHIW-SFHVURJKSA-N 445.748 4.754 50 1 IJGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(C(C)(C)C)O2)cc1O 1772590283 DLGIHDRNZFKTHD-VWLOTQADSA-N 439.508 4.914 50 1 IJGF Cc1cc(Br)cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009954 XVOWMLKZISPKIT-KRWDZBQOSA-N 445.748 4.754 50 1 IJGF C[C@]1([C@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321801 FJCARWUYMHSSBS-FJIJXJHWSA-N 439.870 4.895 50 1 IJGF CCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546877 YKSCILUHOHNUDB-XUZZJYLKSA-N 437.879 4.837 50 1 IJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(CBr)c1 587874680 FPXJMPZQCCZGED-UHFFFAOYSA-N 425.153 4.907 50 1 IJGF CC(C=CC=O)=CC=CC(C)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@]21C 2356442113 OOLFHQKWNFLQEI-PSGDUMPYSA-N 440.580 4.818 50 1 IJGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2 169299472 HFXTYQITEZRVMW-FUKJZSEISA-N 446.912 4.548 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)COc1ccccc1 587539967 ZALNJEHPVGPXMA-SIKLNZKXSA-N 441.277 4.567 50 1 IJGF CN(C)CCOc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 66111724 LZWZYIRVVUXQQU-UHFFFAOYSA-N 439.387 4.555 50 1 IJGF C=C(c1ccc(C)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84652848 CLKAXKANCYCZRW-BWKNWUBXSA-N 436.460 4.646 50 1 IJGF CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)[C@@H]1OOC(C)(C)[C@@H]1O2 95913430 SQBZDGYHAWUFPT-PHVSPZQESA-N 436.460 4.937 50 1 IJGF biogenic,in-vitro C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586973042 FGJLTOAZYWMFHS-SNVBAGLBSA-N 447.276 4.903 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587329123 XDTAIVIYUIKAHV-UPVQGACJSA-N 439.870 4.983 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@@]3(c1c[nH]c2ccccc12)[C@H](C)Br 963051991 ZVCNDUZUMAUELF-LFVRLGFBSA-N 436.353 4.897 50 1 IJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1c[nH]c2ccccc12 84617707 GLMBLYJZEORPDP-JFLMPSFJSA-N 439.544 4.960 50 1 IJGF C=CCS/C(NC)=C(/C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 957861894 KXFAGGBDQIPIIF-DAFNUICNSA-N 426.545 4.694 50 1 IJGF O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1)c1ccncc1 102414469 ADAVHGXWTWEPRF-YCAMKHIRSA-N 446.501 4.948 50 1 IJGF CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335615 OJEAWUVEZLIZOJ-WSFCCBPFSA-N 446.453 4.894 50 1 IJGF Cc1ccnc2c1CCN[C@]2(c1ccc(OC(=O)C(C)(C)C)cc1)[C@H](C)Br 963076957 UZCGHLVSHBUHMR-NYHFZMIOSA-N 431.374 4.514 50 1 IJGF COc1cc2ncnc(Nc3ccccc3N(CCCl)CCCl)c2cc1OC(C)=O 96921928 BDGDKZOLTYSRJB-UHFFFAOYSA-N 449.338 4.591 50 1 IJGF COc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674498 XCHPZJHLHHXANE-BBATYDOGSA-N 443.154 4.770 50 1 IJGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCCCCC1 13491838 BOORXVUWVWWNBQ-HXUWFJFHSA-N 426.948 4.969 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](Br)CCCCC[C@@H]1Br 587377079 KVDGGGUYRBAIBV-GJZGRUSLSA-N 431.168 4.772 50 1 IJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccc(Br)cc21 587457683 AVLPXKBRFCSHRY-NRFANRHFSA-N 426.266 4.768 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(F)c1CBr 587892701 CJWZPIIYODFPEN-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1C[C@@H](CCl)C3 14945620 ICEBLUKQZGYHNU-SNVBAGLBSA-N 431.854 4.863 50 1 IJGF Cc1ccc(-c2cn([C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 102278083 UHOZSDXXRUVYPX-RCNXKZRESA-N 425.529 4.634 50 1 IJGF C[C@@H]1[C@@H](n2cc(-c3cccc(Cl)c3)nn2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 102126243 VIMUGEAEQQPVAH-SWFQBYHISA-N 445.947 4.979 50 1 IJGF C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C 299835076 KGOGQXJLQSHPIP-AYLPWQALSA-N 430.585 4.858 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 587684741 LXEWZTFWZUOYHM-NSPYISDASA-N 436.712 4.655 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(=O)OCC)cc1)CC2=O 587455677 FCFYTNPOQBESNH-JOCHJYFZSA-N 447.325 4.777 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(Cl)c2)N1 587674494 XCHBPPAKMLXGPT-FVMDXXJSSA-N 448.561 4.809 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](n3cc(-c4cc(F)cc(F)c4)nn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102136643 LOFWJVGOAIKYHU-NWNVFBJQSA-N 447.482 4.604 50 1 IJGF FC(F)(F)c1cccc2c1[C@@](CBr)(C[C@@H]1CCCO1)NCC21CCOCC1 962959250 SKUBEURWXBLQEZ-LIRRHRJNSA-N 448.323 4.516 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(C(F)(F)F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101318702 IIVIMLMUCQPYLB-QZPVIDKZSA-N 434.373 4.704 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(Br)c1F)O2 587387014 YVTHEFZRVJZOSD-QGZVFWFLSA-N 443.110 4.734 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-c3ccccn3)s1)O2 587408414 BLLGCSWRJQVPLD-HXUWFJFHSA-N 429.339 4.956 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544819 PALMZWUZLBQEHH-QIAKTKIMSA-N 437.879 4.835 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 587687404 GOVVSIDPJVBIND-FKANQGBASA-N 439.756 4.952 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@@]21C 59535862 FRINQRNKFUDCAA-SHXIWCLGSA-N 448.644 4.705 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)c3c[nH]c4ccccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857557687 UVEPAWSJMNXNMK-YZSJLANHSA-N 427.497 4.533 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418117 AVGNYPXZHHJYNB-KSSFIOAISA-N 445.206 4.891 50 1 IJGF CC(=O)OCC1=CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O[C@H]1CBr 2356783704 LZTCNOLNIUZJGJ-JKQORVJESA-N 438.200 4.618 50 1 IJGF O=C(N/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857766051 UJKRRZUKGVSMLO-BRJLIKDPSA-N 434.387 4.510 50 1 IJGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774953 GCRLFKLFWHJFBG-AOSFDVDRSA-N 433.687 4.910 50 1 IJGF Cc1ccc(N(C(=O)C(Cl)Cl)S(=O)(=O)c2cc(Cl)sc2Cl)cc1 53297785 KUJNSZHVVXSWIC-UHFFFAOYSA-N 433.165 4.889 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544448 NUNGEWQEQKCNCX-KVGGTASHSA-N 437.879 4.835 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(Cc2ccccc2)N1 587672373 FSGKGCPJLPZSGI-SGTLLEGYSA-N 427.155 4.955 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587685466 QWQVOWIJHJENLC-AYLIAGHASA-N 427.745 4.752 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cnn(-c3ccccc3)c1)CC2=O 587456386 NYONOGSWQKSVMH-QFIPXVFZSA-N 441.325 4.786 50 1 IJGF COC(=O)[C@H](C)c1ccc(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 103181959 ACYLUNVLGYUAJI-OGKLSGQJSA-N 446.540 4.550 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC(F)(F)[C@@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169372254 DFBXOAXDWYYGMV-AHCNRWELSA-N 448.400 4.747 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(F)c1 587571749 PIFDUNJBEAVKCM-WIYYLYMNSA-N 447.231 4.922 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1F 587559341 WKOTYAFWENTMFH-RXVVDRJESA-N 447.231 4.922 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 587683743 HXFWGWRUIUJEAH-JEOXALJRSA-N 425.729 4.563 50 1 IJGF CC[C@H](Br)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537485 GDVFRBZHOQDXIH-KPLVRAHFSA-N 440.293 4.818 50 1 IJGF Cc1ccc([C@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570195 INPMDYGEHVZXAB-DCOUKFDISA-N 426.472 4.527 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 587683275 GFHRVOGBOAQMTA-ODXCJYRJSA-N 440.740 4.766 50 1 IJGF C[C@@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962925388 MFEMRVNFYONHQF-VOIUYBSRSA-N 443.429 4.859 50 1 IJGF C=C(C)CC1=C(C(=S)NCCO[Si](C)(C)C(C)(C)C)C(OCC)(OCC)C1=O 195505609 CXTJAJDQXRSDNW-UHFFFAOYSA-N 427.683 4.540 50 1 IJGF Cc1cc(/C=C(\C#N)c2nc3c(O)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053979 BFEFBBUTPJAAKN-NTUHNPAUSA-N 425.279 4.837 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)cc2)N1 587672676 HBJDTWWAZZJSJX-ADLMAVQZSA-N 443.154 4.986 50 1 IJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299820284 IPDMCNITVPFWIY-BWYHRPDPSA-N 438.362 4.824 50 1 IJGF COc1cc2c3c(c1)O[C@@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O 587424639 QNYKNDUUKZXMAR-PGICJIBASA-N 441.243 4.625 50 1 IJGF C[C@@H](Br)[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587500552 SIWOXVVMAUKKAI-DMZKTXOQSA-N 429.310 4.938 50 1 IJGF C[C@@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(C(=O)O)cc1 102139884 DZHBLHBMECUABL-LNEVKRTPSA-N 432.513 4.670 50 1 IJGF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]21C 195521534 FRINQRNKFUDCAA-UGUCCJEZSA-N 448.644 4.705 50 1 IJGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500094 YILHPQGWWPAFQP-IVCQMTBJSA-N 425.956 4.732 50 1 IJGF C=C[C@@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)[C@H](Br)C[C@H](OC(C)=O)[C@]32C)O1 32296343 JPPHIVOLANTITC-VUHIERMNSA-N 443.422 4.629 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587329124 XDTAIVIYUIKAHV-VWNXMTODSA-N 439.870 4.983 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)cc1F)O2 587380202 CECHZVJYYFGKJL-KRWDZBQOSA-N 432.211 4.991 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2O)N1 587731795 ZZESMZMHNQUGLP-VVVCHXIZSA-N 447.117 4.606 50 1 IJGF O=[N+]([O-])c1ccccc1[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962998056 NVSWDAZKJNWVBB-HXUWFJFHSA-N 444.354 4.748 50 1 IJGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)NCCc2cc3cccc(OC)c3nc21 963054585 IIBGBLLKFNOUEV-REWPJTCUSA-N 441.369 4.815 50 1 IJGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2Cl)s1 42966375 NJOIWRPUSFPCAL-ROUUACIJSA-N 444.347 4.593 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccnc(Cl)c1 587539381 WCQFLXRDNMINOE-FXAWDEMLSA-N 446.684 4.693 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)COc1ccccc1 587539969 ZALNJEHPVGPXMA-UGKGYDQZSA-N 441.277 4.567 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 587685314 PQVXPOOYEJXPDE-GFCCVEGCSA-N 445.804 4.736 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587423175 RYDDCGFJXMJFHE-KSSFIOAISA-N 427.216 4.752 50 1 IJGF C[C@]1(c2ccc(O)c(CCCl)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186372 SZEZKCFOWSWIRS-VQIMIIECSA-N 448.268 4.708 50 1 IJGF C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N\c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103195933 YHIFHKDOWUZFAR-VHPBLNRZSA-N 437.533 4.764 50 1 IJGF CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 299840792 WEUFPQAAUWBXDZ-XKCSPQBFSA-N 444.362 4.666 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 587323626 SDVDBJKJYAFWIZ-UNMCSNQZSA-N 443.268 4.886 50 1 IJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]21 2356813008 CCENNDLEZKIMJZ-CUIOKIOKSA-N 444.612 4.510 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O 587412075 HFSBMBZWEGZRON-WMZHIEFXSA-N 439.305 4.895 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542679 IEIAVXSQNVYYTB-KVGGTASHSA-N 437.879 4.835 50 1 IJGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H]1CC=C[C@H](C3=O)[C@@]412 2356350953 NBRWFTRZAMRYHY-YRWBCRDXSA-N 431.671 4.671 50 1 IJGF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 586982447 YGTVVKVOVJHVBV-UHFFFAOYSA-N 431.334 4.555 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2F)N1 587725974 HBECEJNADWLYTA-DYZYQPBXSA-N 431.118 4.900 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCBr 587539941 YXGVSPJFKGSNEC-SIKLNZKXSA-N 441.277 4.869 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCl)N1 587686368 UOWABCOLNPSVKN-WLRWDXFRSA-N 425.729 4.563 50 1 IJGF CC(=O)Oc1ccc([C@@H](C)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 102140430 QSOYRDJKAPCQOP-TYTSTCQXSA-N 446.540 4.898 50 1 IJGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84652850 CLKAXKANCYCZRW-OFVILXPXSA-N 436.460 4.646 50 1 IJGF NC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326535 LUSYRZWFROYGFL-NZQKXSOJSA-N 440.858 4.515 50 1 IJGF O=C(O)C[C@H](Br)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530719 HBHNJXJMIVTMQP-OXJNMPFZSA-N 435.339 4.726 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCl)N1 587686367 UOWABCOLNPSVKN-NSPYISDASA-N 425.729 4.563 50 1 IJGF COc1ccc(OC)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587689148 QCINIEMYWFIOKW-WLRWDXFRSA-N 428.729 4.622 50 1 IJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1ccc(F)cc1Cl 963062101 WFOXDHPRUNKXJE-FQEVSTJZSA-N 435.724 4.820 50 1 IJGF O=C(N/N=C(\c1ccccc1)c1cc2ccccc2[nH]1)c1cc(Br)ccc1O 96903499 HSLNFBOSJACNKR-NJNXFGOHSA-N 434.293 4.818 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)COc1ccccc1 587539966 ZALNJEHPVGPXMA-KNQAVFIVSA-N 441.277 4.567 50 1 IJGF O=C(Cl)/C=C\c1ccc(/C=C/C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587274065 RWRBMDUTXKVCSS-YMBWGVAGSA-N 446.684 4.757 50 1 IJGF CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2OC(=O)c2ccccc2)cc1 33336485 XHTWTEOUKQJDIZ-PKAZHMFMSA-N 443.503 4.654 50 1 IJGF Cc1cc(Br)cc(C(=O)NNCc2ccccc2)c1NC(=O)CC(C)(C)C 103208750 LOZSHEJONAHNDH-UHFFFAOYSA-N 432.362 4.567 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCl)N1 587685487 QWZPOTXTEWCAKC-YUNKPMOVSA-N 439.756 4.953 50 1 IJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)[C@@H](Cl)C(=O)C(F)(F)F 961776058 KQTYNELLRDCPDY-OXJNMPFZSA-N 446.897 4.792 50 1 IJGF COc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587687984 JKHUOOASUQOKOD-BFKGZMGPSA-N 428.729 4.708 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)c(Br)c1)O2 587381313 GWEZWLVLWQFUGQ-QGZVFWFLSA-N 443.110 4.734 50 1 IJGF CC(=O)N1CCc2sc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C1 587536588 WXTAYMGLRGNJBN-QHCPKHFHSA-N 429.969 4.631 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 587682601 DDLNPUNKEQKHMJ-MPBGBICISA-N 440.740 4.766 50 1 IJGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323681 MGKDNKBZGRMTCT-IEIRFRATSA-N 434.891 4.846 50 1 IJGF COC(=O)N(NC(=O)c1c(OC)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 36311316 BBMXKKUPRMCNMD-UHFFFAOYSA-N 445.450 4.967 50 1 IJGF O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 43013635 PMQWSSZYZQOVCX-UHFFFAOYSA-N 428.124 4.625 50 1 IJGF COC(=O)c1cccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587329463 XWBPVIWCKMYADL-XUZZJYLKSA-N 440.854 4.811 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(-c4ccccc4)noc1C)[C@@H](C2)C3=O 587415586 VFLONDQDTSGLKH-KSFYIVLOSA-N 440.293 4.696 50 1 IJGF COc1cc2c(cc1OC)[C@H]1C(=O)c3c(ccc4ccccc34)[C@H]1N(CCCCl)C2=O 26498396 XOXNZLZFDDFTQG-DHIUTWEWSA-N 435.907 4.963 50 1 IJGF CC(C)[Si](O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5)(C(C)C)C(C)C 211517362 IOQYRWDHGHKREM-MNPDLOSFSA-N 443.660 4.948 50 1 IJGF CCOC(=O)c1ccccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587501796 YGHLZNHTEGPENH-HSZRJFAPSA-N 443.337 4.998 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)CC2=O 587460675 VNXHIYNMGNNHLU-SHACYNPGSA-N 427.928 4.742 50 1 IJGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587545919 SWBHKVWIAMEBGU-CVDCTZTESA-N 425.868 4.636 50 1 IJGF CCCCCCC[C@H]1O[C@@H]1[C@@H](OC(=O)CCCCCBr)C(=O)NCCCC 1772617335 KCCPADAFBYWWDW-YZGWKJHDSA-N 448.442 4.898 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(OC)ccc1OC)CC2=O 587456236 LFYRDKRKCSMLBE-NRFANRHFSA-N 435.314 4.618 50 1 IJGF FC(F)(F)c1cccc2c1[C@](CBr)(C[C@H]1CCCO1)NCC21CCOCC1 962959240 SKUBEURWXBLQEZ-AUUYWEPGSA-N 448.323 4.516 50 1 IJGF CC1=CC(=O)[C@@]2(Br)O[C@@H]3C[C@@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 2356795351 LWXMAZNFOVICMW-RDXHHOOHSA-N 426.576 4.573 50 1 IJGF Cn1cncc1[C@H](NN1CCC(C#N)=C(c2cccc3ccccc23)C1)c1ccc(C#N)cc1 19172111 DJYOAYPWIWACRH-MUUNZHRXSA-N 444.542 4.722 50 1 IJGF COc1ccc(/C=C/C(=N\NC(=O)c2ccco2)c2ccc(Br)cc2)cc1 299838902 OTQHQVNLIIBVPU-ARGGBEGESA-N 425.282 4.898 50 1 IJGF CC(=O)NCCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498365 NLDDCCCDTOGAFC-RUZDIDTESA-N 425.956 4.734 50 1 IJGF O=C(N/N=C\c1cccnc1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 33361985 WOALSWYXEIKQDA-CEUNXORHSA-N 434.499 4.616 50 1 IJGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2c(OC)c1OC 96913706 IYFCIRGTRMXRDE-CYBMUJFWSA-N 439.899 4.658 50 1 IJGF Cc1ccc(/C=N/NC(=O)N2N=C(c3cccc4ccccc34)C[C@@]2(O)C(F)(F)F)cc1 1857766370 MIYVOTWBPSPELD-QESWDSMOSA-N 440.425 4.553 50 1 IJGF C=CCc1cc(NC(=O)CCl)c(O)c(-c2cc(CC=C)c(O)c(NC(=O)CCl)c2)c1 1857553764 MHTBDXRSRWAJDG-UHFFFAOYSA-N 449.334 4.576 50 1 IJGF CCOC(=O)[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 43947450 GMPZWTOABWNXHE-MUZYURIPSA-N 446.540 4.515 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cnn(-c3ccccc3)c1)CC2=O 587456385 NYONOGSWQKSVMH-JOCHJYFZSA-N 441.325 4.786 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 587686410 UYIWLWYXSPPWHS-BCTVWOGZSA-N 429.673 4.564 50 1 IJGF CC(=O)OCC1=CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O[C@@H]1CBr 2356783702 LZTCNOLNIUZJGJ-AESZEHBQSA-N 438.200 4.618 50 1 IJGF CCOP(=O)(C[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC 587852254 ZGROHBCDRGJAPZ-BDJLRTHQSA-N 442.693 4.823 50 1 IJGF CCSc1nc(N2C[C@H](C)O[C@@H](C)C2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 13682780 QIMYRQJTAQJYHJ-RLFYNMQTSA-N 431.993 4.532 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542680 IEIAVXSQNVYYTB-OSZRXVRWSA-N 437.879 4.835 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1F 587555678 HIWBXSZJAYACLD-RXVVDRJESA-N 447.231 4.922 50 1 IJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587672202 DZUOVQWLVROJAY-ZMZPIMSZSA-N 443.154 4.770 50 1 IJGF COC(=O)c1cccc([C@@]2(CBr)c3ccsc3CCN2Cc2ccco2)c1 962706120 HBMHLAUKARPQNL-NRFANRHFSA-N 446.366 4.825 50 1 IJGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)C2(CC(CCl)C2)N1C(=O)c1ccc(Cl)cc1 963020335 PIJSTFGQFWMZLW-BEMGLURVSA-N 443.330 4.817 50 1 IJGF O=C(CCCc1ccccn1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 26979658 NZNCPGGQPUBVIL-UHFFFAOYSA-N 436.899 4.611 50 1 IJGF O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NN=Cc1c[nH]c2ccccc12 299815698 OQUHAFCCSZWHJX-UHFFFAOYSA-N 436.821 4.709 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 587327879 SDABQJQITMHMBH-LADGPHEKSA-N 440.854 4.796 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(F)c1OCCCl 587892132 LFPKNWFVGFCUMC-UHFFFAOYSA-N 432.681 4.600 50 1 IJGF O=C(O)c1ccccc1[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962991702 DZNIFEUVINRAAE-OAQYLSRUSA-N 443.366 4.538 50 1 IJGF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586958307 HZGHLUDJOUGRLZ-OAHLLOKOSA-N 443.419 4.689 50 1 IJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534720 FBKFIPCNJBWEGQ-PGRDOPGGSA-N 433.957 4.620 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)ccc1CBr 587894038 PTMZPEQWNKLPAI-UHFFFAOYSA-N 429.116 4.738 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2([C@@H](C)Br)C1(c2ccccc2)CC1 963585107 UKWYHBSQCFQQLV-NXHTTZLHSA-N 430.386 4.949 50 1 IJGF O=C(Nc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27632577 WURWZXGDAXOKAK-UHFFFAOYSA-N 437.677 4.864 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 587684768 MFTMEMVMQUVWLL-FKIZINRSSA-N 439.756 4.953 50 1 IJGF O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F 587892808 NDEIGDKQMOBXMR-UHFFFAOYSA-N 427.209 4.690 50 1 IJGF COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587542305 GLMCNZVMPFHYOY-REWPJTCUSA-N 426.852 4.505 50 1 IJGF Cc1cc(NC(=O)NNc2ccc(N(CCCl)CCCl)cc2)c2ccccc2n1 49767028 WFHMQXRQTQMAOT-UHFFFAOYSA-N 432.355 4.976 50 1 IJGF CC(=O)O[C@@H]1C=C(C)[C@H](CBr)O[C@@]2(C)CC[C@H](Br)C(C)(C)[C@@H]12 238771825 SHAOOENYDOJZIP-HNLJFRNMSA-N 438.200 4.617 50 1 IJGF CO[C@@H](CO[Si](C)(C)N[Si](C)(C)OC[C@H](OC)c1ccccc1)c1ccccc1 195468629 BBXJSIZHVSRIQN-VXKWHMMOSA-N 433.697 4.788 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O 587456031 IVIHYHAIHWYLFM-HXUWFJFHSA-N 434.286 4.817 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 587682605 DDLNPUNKEQKHMJ-YUNKPMOVSA-N 440.740 4.766 50 1 IJGF COCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587688629 MORALBYPHTUGMK-ODXCJYRJSA-N 443.788 4.670 50 1 IJGF COc1ccc(Oc2nc3ccccc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 98081863 HVJQSAMZXBBXKT-QHCPKHFHSA-N 439.471 4.850 50 1 IJGF O=C(Oc1ccc2c(c1)CCC2)N(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1772649216 BLYXIKWGNOINFG-UHFFFAOYSA-N 442.924 4.728 50 1 IJGF Cn1c(/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc2)cc2ccccc21 96903370 ASLYMHMCCPQQDZ-YYDJUVGSSA-N 448.320 4.829 50 1 IJGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1ccc1ccccc21 82053266 IDTBGBNPDHPEJL-GOSISDBHSA-N 425.347 4.983 50 1 IJGF COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C#N 103277879 PFTKJMWAMZIEOO-QFIPXVFZSA-N 429.303 4.589 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N3CCCCC3)cc1)O2 587370917 CRJOEDLXSQAATG-JOCHJYFZSA-N 429.358 4.823 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 587689106 PNXLKQXKZDDTAI-FKANQGBASA-N 439.756 4.952 50 1 IJGF Cc1cc([C@@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cccc(F)c1 963028277 OVYIINGHNLOWEN-GKVSMKOHSA-N 437.946 4.769 50 1 IJGF C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C 28526803 IIENMWMYMSMVQK-ILXNZFCESA-N 430.585 4.858 50 1 IJGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccccc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169371003 IPDMCNITVPFWIY-SUZXBQOKSA-N 438.362 4.824 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(-c3ccccc3)noc1C)O2 587372181 HVXNZDMLWQZKKJ-NRFANRHFSA-N 427.298 4.796 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422339 TVFQHZPOPZIYTC-KSSFIOAISA-N 427.216 4.752 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O 587423500 KWOYWGNEKLBKSN-ORAYPTAESA-N 425.681 4.834 50 1 IJGF O=C(CN(CCCl)CCCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 103169024 WSHUAUYCYVSLMO-UHFFFAOYSA-N 448.177 4.943 50 1 IJGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587672410 FSXHROZUBSHMLZ-ZMZPIMSZSA-N 443.154 4.770 50 1 IJGF COc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587687987 JKHUOOASUQOKOD-FDMGOTLNSA-N 428.729 4.708 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2)N1 587732928 OPEFQRDTHJJYSU-DYZYQPBXSA-N 431.118 4.900 50 1 IJGF N=C1C=CC(=C(O)NCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 1772586727 MXAAMFUTIYSVHG-UHFFFAOYSA-O 439.519 4.876 50 1 IJGF CONC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71296727 FSASYKQPMXHUHP-UHFFFAOYSA-N 440.544 4.543 50 1 IJGF N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53229539 HFMNTLQZOFMARH-QRIPFGBTSA-N 439.563 4.800 50 1 IJGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](Nc1ccccc1)[C@@]2(C)Br 169371002 IPDMCNITVPFWIY-CEOYONBHSA-N 438.362 4.824 50 1 IJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 299841277 YXMQGAUBOZOUHK-UHFFFAOYSA-N 433.464 4.704 50 1 IJGF CC(=O)NCCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500096 YILHPQGWWPAFQP-LMKMVOKYSA-N 425.956 4.732 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1)O2 587383678 ZPSHBFBMBHWGBE-QGZVFWFLSA-N 432.211 4.991 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)CCl)[C@@H](C2)C3=O 587418914 BUAQZKJZWCWRNV-UQBPGWFLSA-N 433.891 4.564 50 1 IJGF Cn1c(O)cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587543072 ISGKVDSEPOWYDK-QPPBQGQZSA-N 435.863 4.685 50 1 IJGF Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 15987746 QZYZVJDTZPIPGW-YUMHPJSZSA-N 434.503 4.796 50 1 IJGF O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 40863341 CSHDKZONBJUPRJ-CVKSISIWSA-N 430.895 4.721 50 1 IJGF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCCCBr)[nH]c2c1 586972168 JGXMTXAREBBAPV-UHFFFAOYSA-N 442.766 4.735 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(CBr)c1 587875289 QVBWZENVLNJYRN-UHFFFAOYSA-N 425.153 4.793 50 1 IJGF CC(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)on1)/C(Cl)=N\Nc1ccc(F)cc1 103295388 INUIUWUOOVXDNQ-RCRXNDKCSA-N 434.258 4.904 50 1 IJGF CCN(CC)c1ccc2c(c1)OC(N(C(C)=O)C(C)=O)=C(C#N)[C@H]2c1ccc(Cl)cc1 66066496 RRFKAGREUVNPFE-QHCPKHFHSA-N 437.927 4.841 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)c(C(=O)Cl)cc1F 587893366 QPCMEZJSFDVTFM-UHFFFAOYSA-N 433.093 4.875 50 1 IJGF O=C(NNC(=O)c1cccs1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299826794 NKLMNBYFBWNNSC-UHFFFAOYSA-N 431.561 4.839 50 1 IJGF Cc1[nH]nc2c1[C@](c1cc(-c3ccncc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772619259 JZLYDQAOZPNARV-QFIPXVFZSA-N 439.441 4.827 50 1 IJGF CC(C)=CCN1C(=O)/C(=N/NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc21 1857775344 NUYXFMYQIYNDCV-SOYKGTTHSA-N 425.488 4.926 50 1 IJGF Cn1c(SSc2c(CC(=O)O)c3ccccc3n2C)c(CC(=O)O)c2ccccc21 13832592 QWGHOVCDGWDKON-UHFFFAOYSA-N 440.546 4.724 50 1 IJGF CCOP(=O)(C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC 587608159 PKEGBAMTIXHLIV-YLJYHZDGSA-N 440.816 4.598 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 587685261 OYZXEYRHXBFBMV-YUNKPMOVSA-N 440.740 4.766 50 1 IJGF C[C@]1(c2cccc(NC(=O)CBr)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587498900 JWXAFHJDVXKHPT-JOCHJYFZSA-N 428.326 4.779 50 1 IJGF CC(=O)OCC1=CC[C@H]2C(C)(C)[C@H](Br)CC[C@]2(C)O[C@@H]1CBr 2356783703 LZTCNOLNIUZJGJ-DLTWYDFYSA-N 438.200 4.618 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1c(-c4ccccc4)noc1C)[C@@H](C2)C3=O 587415585 VFLONDQDTSGLKH-AOMKIAJQSA-N 440.293 4.696 50 1 IJGF CC(=O)Oc1ccc(C[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587688249 KBKYTWSMJPZFJP-FKIZINRSSA-N 440.740 4.725 50 1 IJGF CN(C(=S)Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587896937 RQLPMPDVCWFYAU-UHFFFAOYSA-N 425.768 4.664 50 1 IJGF CC1(C)Oc2cc3oc(=O)ccc3cc2[C@@H](OC(=O)c2ccccc2)[C@@H]1Br 39013079 DQWZLGZODCKVNY-MOPGFXCFSA-N 429.266 4.626 50 1 IJGF CCN(CC)C(=O)c1ccc(NC(=O)/C(C#N)=C(\O)c2ccc(C(F)(F)F)cc2)cc1 102222146 XUTKKOMMNYZULQ-HNENSFHCSA-N 431.414 4.619 50 1 IJGF Cc1csc([C@H](C#N)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587370680 ARLTXIKCNUSKTA-JLMWRMLUSA-N 442.899 4.940 50 1 IJGF O=C1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587542541 HKQWCVDSHAPCOE-DHLKQENFSA-N 449.890 4.763 50 1 IJGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963194758 OIWKVCFSKQMTPB-QOAWAWRESA-N 443.978 4.797 50 1 IJGF O=C(O)c1ccc(N(C(=O)CCCCCBr)c2ccc(C(=O)O)cc2)cc1 35050310 BSOSLIPBUJLNAY-UHFFFAOYSA-N 434.286 4.703 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCCCC4)[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49677979 SWKIYTPTIZNGBZ-NCKFVDEJSA-N 430.589 4.924 50 1 IJGF COc1cccc(Br)c1[C@@]1(CBr)NCCc2ccc(F)c(C)c21 962304376 ZVQYYEXSIIZXIS-SFHVURJKSA-N 443.154 4.689 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cc(F)ccc1F)[C@@H](C)Br 963635717 NYXKILLNNBYMGF-XXRNEEKGSA-N 426.301 4.543 50 1 IJGF N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614281 RQCAXTNATQGXEU-YLJYHZDGSA-N 442.290 4.577 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O 587417254 KNMBBKHTYBOZSX-MMUYJNCRSA-N 447.918 4.952 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 587686256 CCTBNNULDYOQRT-PRWKNARSSA-N 447.739 4.829 50 1 IJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)oc3c2)[C@H]1c1ccc(F)cc1 587325475 FYUPBNQNACVYAJ-REWPJTCUSA-N 439.826 4.871 50 1 IJGF COC(=O)CCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496537 DTEIIIKPHBQPRI-DEOSSOPVSA-N 429.944 4.646 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)cc2)N1 587672774 HOLDFTLMKTXORQ-BBATYDOGSA-N 443.154 4.986 50 1 IJGF O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 621478405 RBQYHXKKQQTNSF-YQKMYRAGSA-N 443.496 4.991 50 1 IJGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1cccc(Br)c1 103228885 ZJJNUCMNZHBIFH-QOMWVZHYSA-N 429.277 4.555 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@@H]1Cc2ccccc21 587537266 CGCSPYKUDDJXJP-DHJUGAMNSA-N 437.289 4.827 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Br)([C@@H](C)Br)O2 587372033 HCDZJEWXCNIRJU-ZMZPIMSZSA-N 439.147 4.984 50 1 IJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546865 YJUUPNODIPIXQO-RDPSFJRHSA-N 433.847 4.804 50 1 IJGF CCCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCCC1 13675545 DJYYXGWVMNJOFS-HXUWFJFHSA-N 426.948 4.969 50 1 IJGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1)c1ccncc1 64549697 ADAVHGXWTWEPRF-NVPYSNMXSA-N 446.501 4.948 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 587684711 LSRIZYFTHYULGJ-YBTHPKLGSA-N 437.740 4.802 50 1 IJGF C=C1OC(C)(C)[C@H](Br)C[C@@]1(O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 169654048 LCWXSHUNEUSYLE-QIRZIZBZSA-N 430.608 4.755 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)cc2)N1 587672681 HBJDTWWAZZJSJX-VOJFVSQTSA-N 443.154 4.986 50 1 IJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@@H]21 2356813007 CCENNDLEZKIMJZ-BDIXKNGSSA-N 444.612 4.510 50 1 IJGF C[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O 85549541 GCRLFKLFWHJFBG-GNOZYDCWSA-N 433.687 4.701 50 1 IJGF biogenic,in-vitro CCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587682493 COLDZPKMXUJIEX-MPBGBICISA-N 439.756 4.953 50 1 IJGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)c2c(F)cccc2C[C@@H]2CCCN21 963110576 NANCSMNNUPAEHF-UQJUHCJGSA-N 436.980 4.781 50 1 IJGF C[C@@]1(c2ccc(O)c(CCCl)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186366 SZEZKCFOWSWIRS-APWZRJJASA-N 448.268 4.708 50 1 IJGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2Br 587495942 HCFCELZIXOXYFK-XSLZUNGDSA-N 433.342 4.554 50 1 IJGF CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499387 MSWVUELGHMCJPD-GGAORHGYSA-N 443.337 4.753 50 1 IJGF O=C1C[C@](CBr)(c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 587499670 OCFQYEGTFIRGNQ-QHCPKHFHSA-N 443.337 4.982 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(Cc2ccccc2)N1 587672371 FSGKGCPJLPZSGI-KZULUSFZSA-N 427.155 4.955 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 587320155 FACVTQRBWAUQQZ-IFMALSPDSA-N 443.268 4.886 50 1 IJGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4ccccc4F)cc3)[nH]c2cc1C 1857595742 MTPKCSYFHWEBOB-UHFFFAOYSA-N 433.512 4.617 50 1 IJGF CC(C)CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)Cl)C(=O)N1CCC[C@H]1c1nccs1 238744144 DCNQGUXDRFBFHN-KKUMJFAQSA-N 434.433 4.510 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(OC(F)(F)F)c1)O2 587381500 GFTXOZXANDZEAB-KRWDZBQOSA-N 430.220 4.731 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(OC(F)(F)F)c1)O2 587381501 GFTXOZXANDZEAB-QGZVFWFLSA-N 430.220 4.731 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCBr 587539937 YXGVSPJFKGSNEC-DENIHFKCSA-N 441.277 4.869 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 587686490 CYCIYDRQYUQBLY-HTGLOVNISA-N 439.756 4.952 50 1 IJGF CCOC(=O)c1ccccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587501797 YGHLZNHTEGPENH-QHCPKHFHSA-N 443.337 4.998 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCl)N1 587683508 HLOHFKSFOHFFEE-JEOXALJRSA-N 425.729 4.563 50 1 IJGF CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c(O)c1 3112152 YGLFXDTZFJEGGC-WPWMEQJKSA-N 444.535 4.563 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Br)([C@H](C)Br)O2 587372025 HCDZJEWXCNIRJU-BBATYDOGSA-N 439.147 4.984 50 1 IJGF COc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587544693 OUYJSJQOHMJNGV-QPTLAOIZSA-N 426.852 4.591 50 1 IJGF CC(=O)Oc1ccc([C@@H](C)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 169356454 QSOYRDJKAPCQOP-GIZMAUELSA-N 446.540 4.898 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN3C(=O)CC)CC2=O 587460696 OQOHXQROSDWZPC-XMMPIXPASA-N 427.928 4.743 50 1 IJGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587544315 NQKNOTRTPPLXDS-CPJSRVTESA-N 449.890 4.718 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCBr)c2)N1 587673103 KJOZTPFOXLNBNJ-ADLMAVQZSA-N 443.154 4.986 50 1 IJGF COc1cccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587673497 NJLRWNOSCIFPIU-ADLMAVQZSA-N 443.154 4.770 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2F)N1 587725973 HBECEJNADWLYTA-BTDLBPIBSA-N 431.118 4.900 50 1 IJGF CN(C=O)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587328499 USNAHROKFVEMHP-LADGPHEKSA-N 439.870 4.617 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O 587423730 YVUPEXUDXJSWAI-UGSOOPFHSA-N 445.206 4.891 50 1 IJGF O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Br)c(Br)[nH]1 169702857 XCCRFBYKVXPLHD-YAXRCOADSA-N 439.922 4.610 50 1 IJGF O=C(Cl)/C=C\c1ccc(/C=C\C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587274064 RWRBMDUTXKVCSS-SFECMWDFSA-N 446.684 4.757 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(Cl)c2)N1 587674496 XCHBPPAKMLXGPT-XXFAHNHDSA-N 448.561 4.809 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587688412 MHLZCVHUQZDTFX-CYXMAGCYSA-N 447.776 4.566 50 1 IJGF CC[C@H](C)[C@H](C(=O)N1CCC[C@@H]1c1nccs1)N(C)C(=O)C[C@H](C)C(Cl)Cl 2356726466 VZGQPEAFXKCCOT-TTZDDIAXSA-N 434.433 4.510 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O 587419298 FTAOPIRRIKVLLS-SGTLLEGYSA-N 445.206 4.891 50 1 IJGF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)[C@@H](Cl)CC)cc1C2=O 1857577467 DJUIXFRXVWIMMI-KRWDZBQOSA-N 443.927 4.996 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)Nc3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 215284256 FOACEKXBNDJEEQ-YPADZDGLSA-N 433.520 4.795 50 1 IJGF CC(C)=CC(=O)O/C=C/[C@@H]1[C@]2(C)CC=C3CO[C@@H]4C[C@](C)(OOC(C)(C)/C=C/C2)O[C@@]341 238750136 GBXVARXVYDSBKY-HCCKSMDYSA-N 430.541 4.923 50 1 IJGF CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684057 KBACIZQVYGVNFD-NSPYISDASA-N 425.729 4.563 50 1 IJGF CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716310 NTGCEDHKGRLBHP-XJDYECMASA-N 430.541 4.586 50 1 IJGF C[C@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546405 WLZNYZIOZZFIEA-ZJSXRUAMSA-N 437.879 4.837 50 1 IJGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl 1857586467 AKIQZJQTKFUHRT-UONOGXRCSA-N 441.727 4.831 50 1 IJGF CCO[P@@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1 169712594 BEPNQRUVSGZKOU-HKBQPEDESA-N 430.448 4.735 50 1 IJGF COc1ccc(-c2[nH]c3ccccc3c2/C=N/NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 1857748057 LYVROLPVWKEAEK-RWPZCVJISA-N 436.471 4.658 50 1 IJGF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1OOCC=C(C)C 2356340030 FYMHPHPOYQJWDS-CWGXUGAXSA-N 440.492 4.776 50 1 IJGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCBr)[C@@H]3CC[C@@H]12 169366099 VWDXBAYYLLRRDS-FDTBGVKSSA-N 448.445 4.535 50 1 IJGF Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537347 DAFVVQWDFPKMOU-UGKGYDQZSA-N 425.278 4.953 50 1 IJGF COc1cc([C@@H]2C(C#N)=COc3c2ccc2c3ccn2C)cc(Br)c1OC 33970211 RSKJMQNJEQXXQW-LJQANCHMSA-N 425.282 4.890 50 1 IJGF C[C@H](c1ccc(CBr)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586973324 HPPANCZKTBTYRT-CYBMUJFWSA-N 438.329 4.669 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H](C)Br)O2 587375946 WCEMSBKVGHPWON-VOJFVSQTSA-N 439.147 4.984 50 1 IJGF Cc1[nH]nc2c1[C@](c1cc(-c3ccccn3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772647403 GMUIKMHHCFNTHS-QFIPXVFZSA-N 439.441 4.827 50 1 IJGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587537522 GYIQVCKCZIREMG-UGKGYDQZSA-N 441.277 4.653 50 1 IJGF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1CBr 587875533 XDQHQWIRUFVSAC-UHFFFAOYSA-N 425.153 4.907 50 1 IJGF CC(NCCSSCCNC(C)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C)=C1C(=O)C[C@H]2[C@H]1C2(C)C 2356475217 SZFRXFHQDNKSIE-WGKKAQPQSA-N 448.698 4.585 50 1 IJGF O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)[C@@H](F)Br 40642179 FRGYGKGAWACTKQ-OAHLLOKOSA-N 445.260 4.801 50 1 IJGF CCOc1cccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c1O 96938932 UGVQUYRMKCCKIT-UVHMKAGCSA-N 444.413 4.712 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(CBr)c(F)c1 587892567 TZIRXUZCYVVZKE-UHFFFAOYSA-N 447.106 4.877 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)C(=O)OCC)CC2=O 587451936 LQXGVRARVPVBKS-IRLDBZIGSA-N 447.325 4.532 50 1 IJGF Cc1csc([C@H](C#N)[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850207 CPOVIVQTRPMMIE-ZPQPFTAQSA-N 428.758 4.629 50 1 IJGF O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 1857534542 ZCZCZBWXHJKURR-KIBLKLHPSA-N 443.406 4.699 50 1 IJGF O=C(O)c1cccc2c1CCN[C@@]2(CBr)c1c(F)ccc(Cl)c1Cl 963124986 ROAMWYLZIGYNOX-QGZVFWFLSA-N 433.104 4.615 50 1 IJGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)c2ccccc12 95808603 PISMFXUZJFIKJF-YZSQISJMSA-N 433.508 4.680 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 587685947 SEVVZBDYWCDYLR-ODXCJYRJSA-N 440.740 4.766 50 1 IJGF O=C(CCCC(=O)/C(=C\c1ccc2c(c1)OCO2)CC(=O)c1ccccc1)OCCCl 95553123 KONXRORUUJOCMG-UYRXBGFRSA-N 442.895 4.593 50 1 IJGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(F)cc1 587383746 FVKUMZCQDBXUNF-SFPLQAFVSA-N 441.934 4.936 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)c3c[nH]c4ccccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857557686 UVEPAWSJMNXNMK-TVZHZPGDSA-N 427.497 4.533 50 1 IJGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4ccc(F)cc4)cc3)[nH]c2cc1C 1857615464 LTHVRFAQKDKZCL-UHFFFAOYSA-N 433.512 4.617 50 1 IJGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCBr 95591756 KOBGVRFQJWPUFX-UHFFFAOYSA-N 426.673 4.948 50 1 IJGF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586958301 HZGHLUDJOUGRLZ-HNNXBMFYSA-N 443.419 4.689 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544450 NUNGEWQEQKCNCX-OSZRXVRWSA-N 437.879 4.835 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685470 QWQVOWIJHJENLC-UGZDLDLSSA-N 427.745 4.752 50 1 IJGF CC1(C)CC(=O)c2cc(C(=O)NN(C(=O)c3cccc(Cl)c3)C(C)(C)C)ccc2O1 28645840 GHHSXXJISBJDBC-UHFFFAOYSA-N 428.916 4.670 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(Cc2ccccc2)N1 587672375 FSGKGCPJLPZSGI-XIKOKIGWSA-N 427.155 4.955 50 1 IJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nccc(CCl)n2)cc1 587883362 IJHUNPVEOICMGQ-UHFFFAOYSA-N 444.749 4.900 50 1 IJGF CC(C)(C)NC(Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)=C(C#N)C#N 13796618 JEJFHDDECMACOD-SSDVNMTOSA-N 429.524 4.827 50 1 IJGF CCCCNc1c(C(=O)OCC)cnc2c1cnn2C[C@@H](Cl)COc1ccccc1 13491844 BVNPWCKOPYUPOU-MRXNPFEDSA-N 430.936 4.506 50 1 IJGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324974 WAEPLVFMZWGMKG-FJIJXJHWSA-N 440.854 4.782 50 1 IJGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689464 SPTWNQGELKORQL-JGRMJRGVSA-N 439.756 4.952 50 1 IJGF O=C1c2cc(Br)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCCl 28711219 IPMGWDXKIJNYRU-UHFFFAOYSA-N 447.672 4.513 50 1 IJGF COc1cc2ncnc(Nc3ccc(N(CCCl)CCCl)cc3)c2cc1OC(C)=O 96921930 SSHCLJUWYQUTTC-UHFFFAOYSA-N 449.338 4.591 50 1 IJGF CC[C@H](Br)[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669262 CKMUEIBQAREUKL-MIUNTBIASA-N 442.170 4.935 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(F)c2)N1 587735156 WPIJGWITFFDHHJ-BTDLBPIBSA-N 431.118 4.900 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)Cn1nnc2ccccc21 963188349 AMGLIDGDIOSVLF-RPBOFIJWSA-N 427.939 4.689 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)C34CC5CC(CC(C5)C3)C4)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101159868 IHWBYBXJFYRWDK-ACSTYTJWSA-N 446.584 4.954 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O 587414381 MBLVISJIAJYLLO-BBATYDOGSA-N 443.124 4.622 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1sccc1Br)O2 587408848 DUTQGIZHIYMQEO-HNNXBMFYSA-N 431.149 4.657 50 1 IJGF CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587569558 RBGHBRQBEJSYEI-OFNKIYASSA-N 441.842 4.586 50 1 IJGF CCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587682497 COLDZPKMXUJIEX-YUNKPMOVSA-N 439.756 4.953 50 1 IJGF CCCCCC=CC[C@H](C=CC=CCC=CCCCC(=O)NCCS(=O)(=O)O)OO 2356378010 SSECKXODJGCASI-OAQYLSRUSA-N 443.606 4.604 50 1 IJGF O=C(Nc1ccccc1)[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1 195131740 YKLHIJUKFPPHIK-XMMPIXPASA-N 444.340 4.580 50 1 IJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587681880 LOCMVLJLSRZGKL-FVINQWEUSA-N 435.724 4.921 50 1 IJGF CC(C)=CC(=O)OC=C[C@H]1[C@@]2(C)CC=CC(C)(C)OO[C@@]3(C)C[C@H]4OCC(=CC2)[C@@]14O3 2356588025 GBXVARXVYDSBKY-VLNNBNGDSA-N 430.541 4.923 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2)N1 587732929 OPEFQRDTHJJYSU-QGHHPUGFSA-N 431.118 4.900 50 1 IJGF CC1(C)O[C@](C)([C@@H]2C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O)CC[C@H]1Br 85637871 IRRMTQLHFCMBHU-PWCLGXPMSA-N 432.624 4.630 50 1 IJGF biogenic CSc1nc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@@H]1Cl)N2 102810468 RSLNDYJKMKNRDV-DZGCQCFKSA-N 446.960 4.649 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCCC(=O)OC)c1C)CC2=O 587462339 YJQKWNSHMIJAPE-XMMPIXPASA-N 447.959 4.816 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1F 587567117 DTIFUQXJXXQEDG-NQIIRXRSSA-N 429.241 4.783 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O 587423639 YKFYPTHZNCKDAX-SCLBCKFNSA-N 445.206 4.891 50 1 IJGF CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587544313 NQKNOTRTPPLXDS-CJFMBICVSA-N 449.890 4.718 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544817 PALMZWUZLBQEHH-DRPSWDKDSA-N 437.879 4.835 50 1 IJGF COCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688290 KTDLOEUTLLORII-MPBGBICISA-N 443.788 4.670 50 1 IJGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)CN2CCCC2)c2ccccc12 95594852 QHTSQSRLALSORT-OQKWZONESA-N 448.611 4.690 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 587687320 FYVYLAQABTUSHP-LCCAYYTGSA-N 447.776 4.566 50 1 IJGF CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)/C(=C(\O)OCc2ccccc2)C(C)=N1 20170588 WTBQXBSRBGMOFA-ZEZKVYLTSA-N 438.505 4.856 50 1 IJGF N#Cc1ccc2c(C(=O)[C@@H](Br)CC[C@H](Br)C(=O)Cl)coc2c1 587277990 BXTSYVUVCXPPMJ-RYUDHWBXSA-N 447.510 4.560 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O 587415422 RYMPEBNYHDWPJM-VBKZILBWSA-N 437.717 4.703 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O 587417260 KNMBBKHTYBOZSX-VPDXNNENSA-N 447.918 4.952 50 1 IJGF Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570364 INPMDYGEHVZXAB-KLCZUYEVSA-N 426.472 4.527 50 1 IJGF Cc1cc([C@]2(CCl)NCCc3c2c(C(C)C)nn3C)c(C)n1Cc1ccc(F)cc1 962915962 IKVSEMDLVRTCTH-DEOSSOPVSA-N 428.983 4.777 50 1 IJGF O=C(Oc1ccc2c(c1Br)CCCN2C(=O)C(Cl)Cl)c1cccs1 135831999 DTYKNSLECVTIGL-UHFFFAOYSA-N 449.153 4.813 50 1 IJGF NC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326540 LUSYRZWFROYGFL-REWPJTCUSA-N 440.858 4.515 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCBr)N1 587673014 JNIAVASFMKKDQE-ZMZPIMSZSA-N 443.154 4.986 50 1 IJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CBr)CC[C@H]1CCCO1 962717608 QKGFSXIVLLXQRE-JXXFODFXSA-N 428.411 4.739 50 1 IJGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/C#N)CCc1ccccc1 1772653631 IAJKNEKSFREFIT-ISMBWIMKSA-N 433.552 4.525 50 1 IJGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cccnc1 45388117 BMJUURQNZWLPCN-KBKYJPHKSA-N 433.821 4.965 50 1 IJGF CCCCCNC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828218 TUPQRGBRRWEORW-UHFFFAOYSA-N 434.584 4.837 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCBr)c1 587538536 PLGSWRJHPUFVJV-KNQAVFIVSA-N 441.277 4.869 50 1 IJGF CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 587838198 MLFYFEBGUSPTFK-XMHCIUCPSA-N 430.317 4.965 50 1 IJGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498910 JZFXRGHJHFFNJJ-JOCHJYFZSA-N 431.326 4.838 50 1 IJGF COc1cccc(OC)c1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587496870 AJDRVLCZETYSKJ-QFIPXVFZSA-N 431.326 4.838 50 1 IJGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587682625 DEDMRSLIIWGPLX-UGZDLDLSSA-N 427.745 4.752 50 1 IJGF CCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687054 YPDXTCQYCCFNEJ-ODXCJYRJSA-N 439.756 4.953 50 1 IJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cc(F)ccc1F)[C@@H](C)Br 963635718 NYXKILLNNBYMGF-ZBUHCNDUSA-N 426.301 4.543 50 1 IJGF C[C@]1(CCCl)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963025973 WBYDFNQCPNCZKC-GCJKJVERSA-N 431.319 4.817 50 1 IJGF CN(CCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCC[C@@H]1CCSS1 38239817 UHGZXPFRSNNSIP-OAHLLOKOSA-N 432.007 4.518 50 1 IJGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418025 RFBPDAWEDXCYCU-QXWFJRNPSA-N 433.891 4.584 50 1 IJGF O=C(NCCSSc1ccc(F)cc1)/C(Cc1cccc(Br)c1)=N\O 100919679 UXGRUSNDMCXQMD-PGMHBOJBSA-N 443.363 4.518 50 1 IJGF Cc1cc([C@]2(CCl)NCCc3c2c(C(C)C)nn3C)c(C)n1-c1cc(F)cc(F)c1 962905483 FEMSJTZAQHAGET-QHCPKHFHSA-N 432.946 4.857 50 1 IJGF CCn1c(C)cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1C 963179396 KLSDEQKRPRYBEI-BEFAXECRSA-N 449.300 4.878 50 1 IJGF CN1CC[C@@]23c4c5ccc(O[Si](C)(C)C)c4O[C@@H]2[C@@H](O[Si](C)(C)C)C=C[C@@H]3[C@H]1C5 2356807324 WGFFZYSWLVJOLB-JOSQFXLQSA-N 429.709 4.565 50 1 IJGF C[C@H](C(=O)N/N=C1\SCC(=O)N1Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 103200116 YMTBSUVUTZTPNO-IMDVLZOJSA-N 447.535 4.759 50 1 IJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 587327878 SDABQJQITMHMBH-ISKFKSNPSA-N 440.854 4.796 50 1 IJGF C[C@@]1(c2cccc(CBr)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695915 CPHAAGSKVBEECP-AEFFLSMTSA-N 446.238 4.602 50 1 IJGF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)([C@H](C)Br)CC2=O 587457443 ZNLASSRPZOOLMA-QKVFXAPYSA-N 433.298 4.718 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687791 IABAWSPDDAGTPI-ZBUHCNDUSA-N 439.756 4.952 50 1 IJGF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)CC2=O 587460674 VNXHIYNMGNNHLU-LFPIHBKWSA-N 427.928 4.742 50 1 IJGF Cc1cccc(-n2c(C)cc([C@]3(CCl)NC[C@@H]4CC(=O)N(C)c5cccc3c54)c2C)c1 963032889 UDOXSRNJKNWJMN-AFMDSPMNSA-N 433.983 4.938 50 1 IJGF CC(C)(C)C1=C(C=O)[C@](CC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)C=C1 1911584314 GFFRTQDHRBKBQT-MHZLTWQESA-N 432.516 4.961 50 1 IJGF CNS(=O)(=O)c1ccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586947153 VAPKPBVUROLVNL-UHFFFAOYSA-N 441.447 4.914 50 1 IJGF COc1ccc(OC)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689785 WDQJBGPZCRWJGQ-WYRIXSBYSA-N 428.729 4.622 50 1 IJGF CC(C)=CC[C@@]12C[C@H]3C(C)(C)[C@@H](C(C)(C)OO)C[C@]3(C1=O)C(O)=C(C(=O)C(C)C)C2=O 1642676737 WJHUIXSWCXVHAV-IWSVTGILSA-N 432.557 4.839 50 1 IJGF CC(=O)OCOC(=O)N(C)/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 45287250 RSOLNUPXBUNNJM-OCOZRVBESA-N 428.836 4.615 50 1 IJGF COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1C(F)(F)F 72108889 WAISHAGVFMODOL-OPEKNORGSA-N 433.455 4.813 50 1 IJGF CCOC(=O)c1c(NC(=O)/C(C#N)=C(/S)Nc2ccccc2)sc2c1CCCC2 214213357 KXSJLVAFZDZZKV-XDJHFCHBSA-N 427.551 4.519 50 1 IJGF COc1ccc([C@@]2(CCCCCCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1OC 962923653 IWVCRMUVWXJJOZ-RUZDIDTESA-N 445.003 4.594 50 1 IJGF COc1ccc(/C=N/NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c(OC)c1 98082076 GJVJOQADKIFEIW-UVHMKAGCSA-N 444.413 4.625 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O 587414456 MJTQBDHSSUXDHB-ZNUZLIQOSA-N 437.717 4.784 50 1 IJGF COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O 587417079 JBAGQJFTJLSQHI-OIVAFFRGSA-N 425.868 4.670 50 1 IJGF C[C@@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)NCCc2ccc(C(=O)N(C)C)cc21 962925383 MFEMRVNFYONHQF-GYCJOSAFSA-N 443.429 4.859 50 1 IJGF CN(C=O)c1ccc([C@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)cc1 963191783 HYTZILMTZLTEBC-CLJLJLNGSA-N 429.951 4.885 50 1 IJGF NCCCCCCCCCNCCSSCCNCCCCCCCCCN 169326541 CSMCGRGRGWPPSS-UHFFFAOYSA-N 434.804 4.926 50 1 IJGF C[C@H](Br)[C@@]1(C2CCCCC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962644451 RCQWWEXTUKPJGS-UQDCGMOVSA-N 445.401 4.892 50 1 IJGF COc1ccc([C@@H]2O[C@]34C[C@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934052 QRZBIBGOBHLRJC-KIZRIRGWSA-N 448.393 4.817 50 1 IJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544815 PALMZWUZLBQEHH-CGOGNOBXSA-N 437.879 4.835 50 1 IJGF C[C@@]1(c2cccc(NC(=O)CBr)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587498901 JWXAFHJDVXKHPT-QFIPXVFZSA-N 428.326 4.779 50 1 IJGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587672201 DZUOVQWLVROJAY-VOJFVSQTSA-N 443.154 4.770 50 1 IJGF CCOC(=O)[C@@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327998 SHAWZKFVYOSRFR-OFNKIYASSA-N 434.891 4.991 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1)O2 587381473 JNGFEACDIATWBA-QGZVFWFLSA-N 432.211 4.991 50 1 IJGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)CBr)c1)CC2=O 587456248 LMMSADUDIYRHRI-NRFANRHFSA-N 432.314 4.559 50 1 IJGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccncc1 45348439 LTMAPPHOXYMUKN-KBKYJPHKSA-N 433.821 4.965 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)O2 587382676 TUWMMHJQAGDQRL-KXBFYZLASA-N 428.248 4.725 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCBr)N1 587673012 JNIAVASFMKKDQE-BBATYDOGSA-N 443.154 4.986 50 1 IJGF C[C@@H](Cl)[C@]1(Cc2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919647 BWUWEWGNPXOYPZ-OYMMJLNRSA-N 437.923 4.849 50 1 IJGF C[C@](O)(CSc1cccc(N=C=S)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 13581013 TWMKHPVCLNCRKT-SFHVURJKSA-N 437.468 4.793 50 1 IJGF N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)N(Cc1ccccc1)c1ccccc1 96271125 RITHQVLBROTCDZ-RCCKNPSSSA-N 435.483 4.866 50 1 IJGF CCOC(=O)[C@H]1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 101507617 WHHGFGLZIMTGAT-DXQAYGFFSA-N 431.945 4.531 50 1 IJGF CC(C)(C)NC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299826640 MYTUKJJTIZMCOL-UHFFFAOYSA-N 436.625 4.610 50 1 IJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccccc2CBr)N1 963180179 GHCKYNQCVGQYOP-CZUORRHYSA-N 448.666 4.942 50 1 IJGF Cc1ccc(/C=N/NC(=O)N2N=C(c3cccc4ccccc34)C[C@]2(O)C(F)(F)F)cc1 1857766371 MIYVOTWBPSPELD-VATWTLTGSA-N 440.425 4.553 50 1 IJGF CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 13144976 VWASGXKHHQTKLJ-QFEZKATASA-N 425.872 4.624 50 1 IJGF CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587544317 NQKNOTRTPPLXDS-NBGIEHNGSA-N 449.890 4.718 50 1 IJGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCBr)[C@H]3CC[C@@H]12 26002930 VWDXBAYYLLRRDS-BYKUIFLTSA-N 448.445 4.535 50 1 IJGF O=C(COc1cccc2ccccc12)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285274 VXLGCXWTFVIBOF-UHFFFAOYSA-N 441.556 4.581 50 1 IJGF COCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688289 KTDLOEUTLLORII-FKIZINRSSA-N 443.788 4.670 50 1 IJGF C[C@@]1(CCCl)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963025978 WBYDFNQCPNCZKC-XMSQKQJNSA-N 431.319 4.817 50 1 IJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685472 QWQVOWIJHJENLC-ZRNGKTOUSA-N 427.745 4.752 50 1 IJGF C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963194752 OIWKVCFSKQMTPB-FBQMUFCQSA-N 443.978 4.797 50 1 IJGF O=C(O)COc1cccc2c1CCC[C@H]2CCC(=O)NN(c1ccccc1)c1cccnc1 26020206 IRIOXRKYLCEWFP-IBGZPJMESA-N 445.519 4.615 50 1 IJGF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1C(=CC=C(Cl)[C@H]1Cl)N2O 27082758 HSHMYUQVBBSRDN-KTTLUUMZSA-N 444.236 4.924 50 1 IJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)[C@H](F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101311243 DFBXOAXDWYYGMV-FVBBPQHMSA-N 448.400 4.747 50 1 IJGF CCOc1ccc(/C=N\NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 33349285 PBVQJXWLMSSUSI-ROTLSHHCSA-N 448.470 4.997 50 1 IJGF CCc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962920291 DQABGMXIJRDLMZ-ZCYQVOJMSA-N 437.923 4.828 50 1 IJGF Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)c(Br)c4)cc3)[nH]c12 299823802 AGYZYIAJRIHWBN-WYMPLXKRSA-N 449.308 4.770 50 1 IJGF O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Br)cc1 299868026 ZGCWXFRDBOIAPK-UHFFFAOYSA-N 433.309 4.740 50 1 IJGF COc1cc2c3c(c1)O[C@@](c1c(F)cc(F)cc1F)([C@H](C)Br)[C@@H](C2)C3=O 587424749 UDWYDFPBHSSGRA-RLBPILSMSA-N 427.216 4.539 50 1 IJGF CC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587545918 SWBHKVWIAMEBGU-AUSIDOKSSA-N 425.868 4.636 50 1 IJGF O=C([C@H]1Cc2ccccc2[C@@](CBr)(c2cccc(Cl)c2)N1)C(F)(F)F 962730119 LTVMTSLPXAFZNK-NVXWUHKLSA-N 432.667 4.624 50 1 IJGF Cc1cc([C@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cccc(F)c1 963028274 OVYIINGHNLOWEN-CRICUBBOSA-N 437.946 4.769 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCBr)c2)N1 587673104 KJOZTPFOXLNBNJ-BBATYDOGSA-N 443.154 4.986 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)s2)N1 587849189 REZMAGYDIYWIQA-JDNHERCYSA-N 444.167 4.694 50 1 IJGF CC1=CC(=O)[C@@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@H](Br)C[C@@]13C2(C)C 2356795353 LWXMAZNFOVICMW-XMHIBHPVSA-N 426.576 4.573 50 1 IJGF COc1ccc(OC)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587689146 QCINIEMYWFIOKW-JEOXALJRSA-N 428.729 4.622 50 1 IJGF C=C1C(=O)O[C@H]2CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H](I)C[C@@H]12 299816775 RCJSCMFZUGPPHB-CGBFIWBNSA-N 444.353 4.886 50 1 IJGF COC(=O)c1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500044 PVOVLUFNYPVZHE-JOCHJYFZSA-N 429.310 4.608 50 1 IJGF COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3c2)cc1 587187309 DLPKDIFVKIEAKC-QGOAFFKASA-N 444.516 4.745 50 1 IJGF CC[C@@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587371062 DATXYNJUWOQKAF-TZIWHRDSSA-N 431.330 4.570 50 1 IJGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587685742 AYNYDFMDVHSMPN-WYRIXSBYSA-N 428.729 4.622 50 1 IJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc2c(c1)OCCO2 587541469 BWDQDUGBPYFZTG-XUZZJYLKSA-N 438.863 4.649 50 1 IJGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545934 TVWNNQSGSFXUEZ-GBXCKJPGSA-N 439.895 4.890 50 1 IJGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2c[nH]c3ccccc23)N1 963192260 ZYJMXCQQRHFQPX-BEFAXECRSA-N 443.252 4.921 50 1 IJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O 587418948 FMQVXRZSSDAKCU-KSSFIOAISA-N 445.206 4.891 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCCNC(C)=O)cc1)CC2=O 587458632 DEXVVUZMMLQYFV-XMMPIXPASA-N 429.944 4.513 50 1 IJGF N#C/C(=C\c1cccc(Br)n1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 73157047 IPRQXTJFBOZPBC-DQYQWZCESA-N 432.321 4.851 50 1 IJGF COc1cccc(-n2nnc(-c3ccccc3NC(=O)Nc3ccc(N=C=S)cc3)n2)c1 1772619167 GJJVSOUFGJBHNF-UHFFFAOYSA-N 443.492 4.716 50 1 IJGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1 653778077 RFIHTLXRPRTYKU-CCVNUDIWSA-N 447.857 4.581 50 1 IJGF CCCC[C@@H](Br)C(=O)C(Br)=C(Br)Br 14722000 LTFKWKIEPWUEFB-RXMQYKEDSA-N 441.783 4.863 50 1 IJGF biogenic CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587371057 DATXYNJUWOQKAF-FPOVZHCZSA-N 431.330 4.570 50 1 IJGF O=C1C[C@@](CBr)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587501298 XAHHTKMLVGBGKZ-JOCHJYFZSA-N 429.310 4.592 50 1 IJGF COC(=O)Cc1c(SSc2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12 13832593 ZTGBJDCFDDCDSR-UHFFFAOYSA-N 440.546 4.880 50 1 IJGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(Cl)cc2)s1 43063084 JBQALZLXSXHJCM-ZWKOTPCHSA-N 444.347 4.593 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCBr 587539939 YXGVSPJFKGSNEC-KNQAVFIVSA-N 441.277 4.869 50 1 IJGF C[C@H]1CC[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774955 GCRLFKLFWHJFBG-OTGDXRKGSA-N 433.687 4.910 50 1 IJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 587686856 XTLRXXHXVUTRCZ-WLRWDXFRSA-N 425.729 4.563 50 1 IJGF CCOC(=O)[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 43834778 GMPZWTOABWNXHE-HOTWNZPOSA-N 446.540 4.515 50 1 IJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(CBr)cc1)O2 587378956 XNLOMEWXIZMKLE-SFHVURJKSA-N 439.147 4.728 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C#N)c2)N1 587673697 PKLBPUAGWSSVGA-VOJFVSQTSA-N 438.138 4.633 50 1 IJGF CC(C)(Cl)[C@H](Br)C[C@@H](Br)[C@](C)(O)C=CBr 2356487939 SACBKXSNWDAOPS-NQMVMOMDSA-N 427.402 4.581 50 1 IJGF N#C/C=C/c1ccc(NC(=O)/C=C2\C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 40712242 VYKWQSPCPSZFIS-XBQBDAGTSA-N 428.275 4.821 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 587684769 MFTMEMVMQUVWLL-MPBGBICISA-N 439.756 4.953 50 1 IJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)[C@@H]1CCCOC1 963187850 JNTOKIMEZXCSID-YMPZKCBVSA-N 425.370 4.826 50 1 IJGF O=C(O)COc1cccc2c1CCC[C@@H]2CCC(=O)NN(c1ccccc1)c1cccnc1 26020199 IRIOXRKYLCEWFP-LJQANCHMSA-N 445.519 4.615 50 1 IJGF CN(C)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71318481 AFVOFOCACILIQT-UHFFFAOYSA-N 438.572 4.954 50 1 IJGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cc(F)ccc2C(F)(F)F)ccc1C(=O)O 219904300 VHAUTADTOGJHAR-LUOAPIJWSA-N 447.388 4.714 50 1 IJGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3CCCC2)cc(Br)c1OC 33971072 NMOMHQFVCUDVJT-IBGZPJMESA-N 441.325 4.563 50 1 IJGF O=C(N/N=C(/c1ccccc1)c1cc2ccccc2[nH]1)c1cc(Br)ccc1O 95561785 HSLNFBOSJACNKR-DAFNUICNSA-N 434.293 4.818 50 1 IJGF CC(C)c1cc(C(C)C)c(S(=O)(=O)ON2C(=O)C[C@H]2CBr)c(C(C)C)c1 473113676 JXCGKZBZJXAXRJ-HNNXBMFYSA-N 446.407 4.673 50 1 IJGF C[C@@H](c1ccc(CBr)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586973325 HPPANCZKTBTYRT-ZDUSSCGKSA-N 438.329 4.669 50 1 IJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCCl)cc2)N1 587686159 STTHZYBCVYKDNZ-ODXCJYRJSA-N 439.756 4.953 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 587700156 LVFGPQGYKXMXNW-XDTBSMBKSA-N 448.767 4.988 50 1 IJGF CC1(C)CC(=O)c2cc(C(=O)NN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)ccc2O1 28645837 CBOVQEKAUBVVDL-UHFFFAOYSA-N 428.916 4.670 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2)N1 587732926 OPEFQRDTHJJYSU-BMLIUANNSA-N 431.118 4.900 50 1 IJGF CC(NCCSSCCNC(C)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C)=C1C(=O)C[C@H]2[C@@H]1C2(C)C 2356475216 SZFRXFHQDNKSIE-KFVVBQDRSA-N 448.698 4.585 50 1 IJGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cccnc1 45353213 UGHWFIPAWYKDKG-KBKYJPHKSA-N 449.820 4.665 50 1 IJGF Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 653802204 LZZONHDLBQLCTD-UHFFFAOYSA-N 442.500 4.725 50 1 IJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418111 AVGNYPXZHHJYNB-KBXCAEBGSA-N 445.206 4.891 50 1 IJGF O=C1CCc2cc([C@]3(CCl)c4ccsc4CCN3Cc3cccnc3)c(F)cc2N1 963019946 ZIFATNNLDYTCKX-QHCPKHFHSA-N 441.959 4.708 50 1 IJGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccccc2)N1 963175755 HKMZCRDERDITFC-DOTOQJQBSA-N 448.666 4.596 50 1 IJGF Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587754844 LHBWUUHVYMCAAW-MSKMAVRDSA-N 428.349 4.644 50 1 IJGF CCCCCCCCn1cc(/C=C/C(=O)c2ccc(NC(=O)CBr)cc2)nn1 1911580420 IMYUECJCIFBZLN-OUKQBFOZSA-N 447.377 4.868 50 1 IJGF COc1cc(Cl)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587374697 PMIVZGFDGGUOSH-LJQANCHMSA-N 440.721 4.503 50 1 IJGF CCOC(=O)[C@@]1(CCBr)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498958 KNRVSARTIYCOKL-FCHUYYIVSA-N 435.358 4.788 50 1 IJGF COCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587546214 UYRQQVOQHHASCZ-QPPBQGQZSA-N 441.911 4.553 50 1 IJGF COC(=O)c1cccc([C@]2(CBr)c3ccsc3CCN2Cc2ccco2)c1 962706123 HBMHLAUKARPQNL-OAQYLSRUSA-N 446.366 4.825 50 1 IJGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 2356854609 RQQFTEHELDUPHF-RXEAUGIDSA-N 429.070 4.578 50 1 IJGF CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 1653496 FZNXAZLPNZVWBS-HNNXBMFYSA-N 432.911 4.845 50 1 IJGF CCOC(=O)C/N=C\C(CC)(CC)SSC(/C=N/CC(=O)OCC)(CC)CC 73163774 NQCMZJFUGAZYLG-KBNZVFGVSA-N 432.652 4.753 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)CC2=O 587458468 CDAKODNZZUITOD-IVCQMTBJSA-N 443.971 4.901 50 1 IJGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccncc1 45349778 KIKLPLRMCWQLHP-KBKYJPHKSA-N 449.820 4.665 50 1 IJGF COc1cc([C@@]2(CBr)NCCc3ccc(F)c(C)c32)ccc1OC(F)F 962142032 DHXWAADGJYFHGB-LJQANCHMSA-N 430.264 4.528 50 1 IJGF COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1OC(F)(F)F 72109047 NNSIIJOKWWFNNH-OPEKNORGSA-N 449.454 4.693 50 1 IJGF CC1=C(CCCl)C(=O)N2CCc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]2N1 586993466 MPYFDNMMAZFNGP-RUZDIDTESA-N 443.934 4.644 50 1 IJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O 587461180 QINKLQFIXXCXMX-HSZRJFAPSA-N 427.884 4.712 50 1 IJGF CCc1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O 587547225 ZJXRBCOBPLNYRW-YKSBVNFPSA-N 439.895 4.890 50 1 IJGF CN1CC[C@@]23c4c5ccc(O[Si](C)(C)C)c4O[C@@H]2[C@H](O[Si](C)(C)C)C=C[C@@H]3[C@H]1C5 2356807323 WGFFZYSWLVJOLB-IZYRJDPASA-N 429.709 4.565 50 1 IJGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84652849 CLKAXKANCYCZRW-SQJMNOBHSA-N 436.460 4.646 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1nnc(-c2ccccc2)o1 587546036 UTBFEQOWUHGMQH-JPYJTQIMSA-N 434.835 4.538 50 1 IJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)cc2)N1 587674303 VXULHHPGHOONKH-ADLMAVQZSA-N 438.138 4.633 50 1 IJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(F)c2)N1 587735157 WPIJGWITFFDHHJ-DYZYQPBXSA-N 431.118 4.900 50 1 IJGF N#C/C=C(\c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F 14945542 CRXBYOWJISXKAI-UKTHLTGXSA-N 436.368 4.659 50 1 IJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1 587571334 NACMXOWRTRVVED-WIYYLYMNSA-N 429.241 4.783 50 1 IJGF COC(=O)c1ccc([C@@H](C)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 43920094 GEJRUAFBQGUAGN-GLGDLZFHSA-N 446.540 4.759 50 1 IJGF CS(=O)(=O)/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586925384 HPLMOEBQCQMQAY-NSCUHMNNSA-N 427.214 4.998 50 1 IJGF