smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC(CCS(=O)(=O)F)C2)C1 2134979235 PCUJYKDXRISHHP-HSZRJFAPSA-N 484.590 2.978 70 10 JFIE O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 217532763 ARZOFRXGVFYGCD-UHFFFAOYSA-N 470.517 2.995 70 10 JFIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)cc1 217279423 MFBZFVIEQQZVGN-UHFFFAOYSA-N 470.551 2.538 70 10 JFIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)cc1 217279836 MVVAHLBUDJMDRQ-UHFFFAOYSA-N 484.578 2.785 70 10 JFIE O=C(N1CCc2cc(S(=O)(=O)Cl)cc(I)c2CC1)C(F)(F)F 390807140 LSXNGICBKFECRQ-UHFFFAOYSA-N 467.634 2.708 70 10 JFIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl 707388759 NCFBLSJBHFXHEC-UHFFFAOYSA-N 477.347 2.696 70 10 JFIE O=S1(=O)CC(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1 723199839 TZRMUUHVIOGVSL-UHFFFAOYSA-N 468.572 2.563 70 10 JFIE COc1ccc(CC(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216878831 QMABFBNBZFGLSZ-UHFFFAOYSA-N 456.539 2.932 70 10 JFIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2COCCO2)c(Br)c1 690724178 HYVBICQKLFCWFD-SSDOTTSWSA-N 450.532 2.933 70 10 JFIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)C1 2256770529 ACCRWYVUUYTQAJ-GOSISDBHSA-N 470.563 2.731 70 10 JFIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 217898204 XMGWMMOWWZUDLA-PXNSSMCTSA-N 463.527 2.772 70 10 JFIE COC(=O)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(OS(=O)(=O)C(F)(F)F)c1 100390998 QAKUEYUHXYGJLX-UHFFFAOYSA-N 454.400 2.897 70 10 JFIE CCOC(=O)c1ncc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1OS(=O)(=O)C(F)(F)F 51971083 RHGFIRCRNYYSFC-UHFFFAOYSA-N 492.453 2.987 70 10 JFIE NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 217281363 LPQVMEUUUKDZCQ-UHFFFAOYSA-N 470.551 2.627 70 10 JFIE CCS(=O)(=O)CCOc1c(Br)cc(S(=O)(=O)F)cc1Br 2191435651 YWGWWFZNDWKVDF-UHFFFAOYSA-N 454.133 2.683 70 10 JFIE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)s1 2146002599 JYBXHZXVVFKCEH-LBPRGKRZSA-N 491.012 2.732 70 10 JFIE O=C(NCCCN1CCCC1=O)c1cc(Br)ccc1I 217471358 BZDWQKNAFACKNN-UHFFFAOYSA-N 451.102 2.796 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NCC1CN(S(=O)(=O)F)C1 1974059385 LXVAELJIYSLMBF-UHFFFAOYSA-N 466.329 2.672 70 10 JFIE COCCn1c(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217581087 QDSZAKKHIZBBPQ-AREMUKBSSA-N 472.501 2.598 70 10 JFIE COc1ccc(I)c(S(=O)(=O)Cl)c1I 306922142 UFEZMIBKIOMPJS-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216870275 VBNUAMZGUBXSMJ-JOCHJYFZSA-N 479.577 2.721 70 10 JFIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1 216797605 IIHZCXDDNDEFSF-UHFFFAOYSA-N 484.228 2.862 70 10 JFIE COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(CNC(=O)C(F)(F)F)c3)cc2C1=O 216833083 QQXUCUTUIMOEKE-UHFFFAOYSA-N 463.412 2.750 70 10 JFIE CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1 217492978 TWFUORGLPVDPII-UHFFFAOYSA-N 453.568 2.504 70 10 JFIE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974401404 BHBWXBSNCVVUKH-HNNXBMFYSA-N 475.542 2.709 70 10 JFIE O=C(c1ccc(Br)cc1I)N1CCC[C@H](S(=O)(=O)F)C1 1968227434 OMHJZDXOHKYMJV-VIFPVBQESA-N 476.105 2.958 70 10 JFIE O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCN(C(=O)C(F)(F)F)CC1 216715839 SQSYFLPMQDSWPC-LJQANCHMSA-N 473.451 2.517 70 10 JFIE CC(=O)N1CCN(Cc2ccccc2NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)CC1 1459074513 YGQLVVGJBINHEM-UHFFFAOYSA-N 453.923 2.915 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250013510 GBFJNBAHBNUQMA-AOMKIAJQSA-N 489.569 2.955 70 10 JFIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H]1COc2ccccc2O1 217306691 SDAZSDIMVDUQKM-AWEZNQCLSA-N 474.311 2.574 70 10 JFIE Cn1c(-c2ccc(I)c(Br)c2)nnc1S(=O)(=O)Cl 721336390 LYODPUWMELVPIN-UHFFFAOYSA-N 462.494 2.777 70 10 JFIE O=C(NS(=O)(=O)Cl)OCc1ccc(I)c(Br)c1 2306301411 NKLWRPFVFIBOGL-UHFFFAOYSA-N 454.467 2.764 70 10 JFIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216870215 JIVGWLGXTPVPQJ-JOCHJYFZSA-N 479.577 2.721 70 10 JFIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(S(C)(=O)=O)CC2)c(Br)c1 217298800 DRFPYNPVUDOIBA-UHFFFAOYSA-N 476.437 2.802 70 10 JFIE CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1 218132417 JCTMFUJDAYJHDM-MRXNPFEDSA-N 450.630 2.752 70 10 JFIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CCS(=O)(=O)F)C1 2022196935 UYEZHCYQTBCGDG-MAUKXSAKSA-N 458.552 2.633 70 10 JFIE O=C(c1cc(Br)ccc1I)N1CCC(S(=O)(=O)F)CC1 1968216974 GBULAROCCGSTCU-UHFFFAOYSA-N 476.105 2.958 70 10 JFIE O=S(=O)(Cl)c1ccc(CCNS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)s1 2161369067 DVCORXBKICIPEE-KOMQPUFPSA-N 450.003 2.885 70 10 JFIE C=C(F)CS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1I 2240635118 AEPWNMLIQBKNBJ-UHFFFAOYSA-N 453.682 2.752 70 10 JFIE O=[N+]([O-])c1cc(I)c(S(=O)(=O)Cl)cc1I 2060018314 QKMUJFZOWAZYPD-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NC[C@H]1CCCN(c2nccs2)C1 218134504 URLYPZUVBVNLJY-CYBMUJFWSA-N 460.984 2.637 70 10 JFIE COc1cc(I)cc(I)c1S(=O)(=O)Cl 306524163 XLOORMHPMRCHCY-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE O=C1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Br)CC[C@H]2N1 160704643 DYQMIRPDYJJXHP-HTQZYQBOSA-N 458.197 2.562 70 10 JFIE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](S(=O)(=O)F)C1 1968227233 LLQVUCVOAOAYLL-SECBINFHSA-N 476.105 2.958 70 10 JFIE O=Cc1c(I)cc(S(=O)(=O)Cl)cc1I 2055147188 UTCMNTJYCWGLGR-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE COc1cccc(N2C[C@@H](C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)CC2=O)c1 217531452 GPUUHLIMBZVSKB-AWEZNQCLSA-N 450.461 2.959 70 10 JFIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCC(S(=O)(=O)F)CC2)C1 2256772758 WGRGHLPNYKYHBY-UHFFFAOYSA-N 470.563 2.731 70 10 JFIE COc1ccccc1OCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217308829 ADODRRVXVKOAMT-UHFFFAOYSA-N 455.920 2.528 70 10 JFIE O=S(=O)(F)CCC1CN(S(=O)(=O)c2cc(Br)sc2Br)C1 2199688927 NJMNLNABEBWHMI-UHFFFAOYSA-N 471.189 2.583 70 10 JFIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 217961514 GVTUAIBDVAJRTO-WIYYLYMNSA-N 490.553 2.835 70 10 JFIE N#Cc1cc(I)cc(I)c1S(=O)(=O)Cl 307273263 VXBIFXUUDPEAJJ-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE CS(C)(=O)=NCCNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156355452 RJGBAODLPYVXDN-UHFFFAOYSA-N 450.991 2.712 70 10 JFIE COc1c(I)ccc(S(=O)(=O)Cl)c1I 306522789 QKQUTXOSTJUKGS-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE N#Cc1c(I)cc(S(=O)(=O)Cl)cc1I 306987916 ZPSMVTJRJFXMFK-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccccc1NC(=O)C(F)(F)F 216818761 RUPWEPYMQNDOLH-UHFFFAOYSA-N 484.228 2.862 70 10 JFIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2010543546 KIZMXDVLAHPSIC-SZMVWBNQSA-N 458.552 2.775 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1 2287062099 BPHXYAOTOVEUSC-NSHDSACASA-N 466.329 2.815 70 10 JFIE C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)Cc1ccco1 217283289 DMVZNLAVGHHOIW-XMMPIXPASA-N 467.547 2.983 70 10 JFIE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2124731070 IQAPKPSCJOJNQR-LJQANCHMSA-N 483.606 2.836 70 10 JFIE CC(=O)Nc1cccc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 217300606 AAGXBFUSSANQCH-UHFFFAOYSA-N 452.920 2.963 70 10 JFIE Cc1c(CS(=O)(=O)Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1OS(=O)(=O)F 1887519242 UCNBKTUDTUYDKL-UHFFFAOYSA-N 486.971 2.714 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)ccc1Br 2287067964 GBHOZFBNXMXKDO-NSHDSACASA-N 466.329 2.815 70 10 JFIE O=C(c1ccc(Br)cc1I)N1CCC(S(=O)(=O)F)CC1 1968216678 CVEYJKJDYSZSQA-UHFFFAOYSA-N 476.105 2.958 70 10 JFIE COc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 217313427 XHGVRJKXEWIITL-UHFFFAOYSA-N 469.947 2.700 70 10 JFIE CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc(S(=O)(=O)F)ccc3Cl)c2)CC1 1585179581 PAUQTMSNVZYMGE-UHFFFAOYSA-N 453.923 2.915 70 10 JFIE CN1CCc2nc(NC(=O)NCCCN3C(=O)c4ccc(Br)cc4C3=O)sc2C1 217306620 PLNACYXMMIEJOA-UHFFFAOYSA-N 478.372 2.701 70 10 JFIE COc1c(I)cc(I)cc1S(=O)(=O)Cl 307382119 ZYPUQOALGSZJAR-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)cc1Br 2181138821 GJCDQSHTBNYSRY-UHFFFAOYSA-N 466.329 2.768 70 10 JFIE CC(=O)Oc1cccc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 217265255 XMQMECQRVWDYKC-UHFFFAOYSA-N 453.904 2.930 70 10 JFIE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1C 217519286 IVLDPKJMLADZGT-UHFFFAOYSA-N 456.564 2.887 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1 2287066990 APPLIURRSRXADA-GFCCVEGCSA-N 466.329 2.815 70 10 JFIE CCOc1ccc(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217307459 KXFONAYBXSNPBQ-UHFFFAOYSA-N 469.947 2.918 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)cc1Br 2181138508 BQUPDJZCCIQNEL-UHFFFAOYSA-N 466.329 2.672 70 10 JFIE CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1 217571873 DTQKZCBZGMRPMK-DEOSSOPVSA-N 456.564 2.951 70 10 JFIE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN2c2nccs2)c1C 217745275 HCFHOTWVOBZYLE-SFHVURJKSA-N 450.630 2.830 70 10 JFIE O=C(c1ccc(I)c(Br)c1)N1CCC(S(=O)(=O)F)CC1 1968217166 IMUYTLDIXZGHKF-UHFFFAOYSA-N 476.105 2.958 70 10 JFIE O=C(NC1(CCOCc2ccccc2)CC1)c1[nH]nc(Br)c1S(=O)(=O)Cl 2134189469 OPBBQFBTBQDVDV-UHFFFAOYSA-N 462.753 2.969 70 10 JFIE CC(C)(C)OC(=O)N1CCN(c2cc(CS(=O)(=O)F)cc(B3OC(C)(C)C(C)(C)O3)c2)CC1 1887505990 CYSMELJTVVQVQE-UHFFFAOYSA-N 484.399 2.842 70 10 JFIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2010543541 KIZMXDVLAHPSIC-JQHSSLGASA-N 458.552 2.775 70 10 JFIE Cc1c(CS(=O)(=O)Cl)cc(I)cc1B1OC(C)(C)C(C)(C)O1 1887522195 JVWXNMZOFSKABF-UHFFFAOYSA-N 456.538 2.967 70 10 JFIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 216701132 GLDFCYLOTCLQPR-HXUWFJFHSA-N 467.522 2.507 70 10 JFIE O=[N+]([O-])c1ccc(I)c(I)c1S(=O)(=O)Cl 2060016511 ADLIRULQBRBTAE-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE O=C1OC2(CCN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)CC2)c2ccccc21 217519827 CLVDXHFJVHGVTG-UHFFFAOYSA-N 469.346 2.960 70 10 JFIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccccc1Br 217996126 BXADDZRVEIXNAB-DOMZBBRYSA-N 458.305 2.972 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1 2287066997 APPLIURRSRXADA-LBPRGKRZSA-N 466.329 2.815 70 10 JFIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 217964282 VQRRDKZJTBFQHO-RDTXWAMCSA-N 453.426 2.780 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NCC2CN(S(=O)(=O)F)C2)c1 2181139549 OVAGEFFGUOKATL-UHFFFAOYSA-N 466.329 2.672 70 10 JFIE COc1ccc(N2C[C@H](C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)CC2=O)cc1 217531562 DXGDZSGPVIKPEQ-CQSZACIVSA-N 450.461 2.959 70 10 JFIE O=C(N[C@@H](CCC(=O)N1CC(CCS(=O)(=O)F)C1)C(F)(F)F)OCc1ccccc1 2199688948 NNNCHTKAKSPLOZ-HNNXBMFYSA-N 454.442 2.772 70 10 JFIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248484285 AIWXDUCGAQZIKJ-OYHNWAKOSA-N 489.569 2.955 70 10 JFIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccccc1Br 217996202 BXADDZRVEIXNAB-IUODEOHRSA-N 458.305 2.972 70 10 JFIE CN(C(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl)[C@@H]1CC[C@@H]1OCc1ccccc1 2134184521 ANXUWDHZHOUYHY-NEPJUHHUSA-N 462.753 2.920 70 10 JFIE Cc1cc2ncc(CCCNC(=O)CCNS(=O)(=O)c3c(C)c(C)cc(C)c3C)cn2n1 218019783 CEMOYLMPALUDTD-UHFFFAOYSA-N 457.600 2.689 70 10 JFIE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](S(=O)(=O)F)C1 1968227433 OMHJZDXOHKYMJV-SECBINFHSA-N 476.105 2.958 70 10 JFIE O=C1O[C@]2(CCCN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)C2)c2ccccc21 217572503 DGCWBTQGZGQMEC-FQEVSTJZSA-N 469.346 2.960 70 10 JFIE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1 703990196 KTRWRYFQIDKGGO-UHFFFAOYSA-N 470.956 2.678 70 10 JFIE O=[N+]([O-])c1cc(I)cc(S(=O)(=O)Cl)c1I 2060018415 SPKPVXBQKYAIGW-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE O=C(NS(=O)(=O)Cl)OCc1cc(I)ccc1Br 2302821618 HTHNUUBYUJTLNA-UHFFFAOYSA-N 454.467 2.764 70 10 JFIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CN(S(=O)(=O)F)C1 1974054875 JPPUDXWBJVTDLV-UHFFFAOYSA-N 475.542 2.566 70 10 JFIE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc1 217961011 ZWDXVAZNOVQXBO-FXAWDEMLSA-N 478.542 2.691 70 10 JFIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(CNC(=O)C(F)(F)F)c1 216838860 TVBNHQMQBFSZEH-UHFFFAOYSA-N 484.228 2.862 70 10 JFIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 217903196 DSVDKDVBXARWBL-FXAWDEMLSA-N 492.569 2.623 70 10 JFIE O=C(c1ccc(Br)cc1I)N1CC[C@H](S(=O)(=O)F)C1 1968235989 RCCIHRJCNYAWRL-QMMMGPOBSA-N 462.078 2.568 70 10 JFIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c(C)c1OS(=O)(=O)F 1887520779 DTVRVCJFOLJKON-UHFFFAOYSA-N 499.325 2.615 70 10 JFIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248484288 AIWXDUCGAQZIKJ-QRQCRPRQSA-N 489.569 2.955 70 10 JFIE O=[N+]([O-])c1c(I)ccc(I)c1S(=O)(=O)Cl 2060016446 YVMJHYPEPMBOIM-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250013512 GBFJNBAHBNUQMA-OPAMFIHVSA-N 489.569 2.955 70 10 JFIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CCS(=O)(=O)F)C1 2022196936 UYEZHCYQTBCGDG-QAPCUYQASA-N 458.552 2.633 70 10 JFIE COc1ccccc1CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217335844 ZPANZXAXAVSOAR-UHFFFAOYSA-N 453.948 2.734 70 10 JFIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248876585 YOVLFBOMKUGYOT-QFIPXVFZSA-N 489.569 2.955 70 10 JFIE N#Cc1cc(S(=O)(=O)Cl)c(I)cc1I 306711441 XVPHENCHGGICBC-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 1901486789 ZCKOHOGATOGMLE-YCRPNKLZSA-N 475.542 2.709 70 10 JFIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2244558492 ACOQBNMOUUMRKB-OAHLLOKOSA-N 475.542 2.709 70 10 JFIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 217964214 VQRRDKZJTBFQHO-KDOFPFPSSA-N 453.426 2.780 70 10 JFIE O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCC(NC(=O)C(F)(F)F)CC1 216743984 CBHHHRNEINCFKV-IBGZPJMESA-N 473.451 2.563 70 10 JFIE COc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216858106 KNUFSNYMWITFEB-SIKLNZKXSA-N 479.577 2.988 70 10 JFIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2060818546 QSSIISRKFACCMY-QGZVFWFLSA-N 466.535 2.704 70 10 JFIE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)c1C 217571593 GVMOYEWOSNYYJA-XMMPIXPASA-N 456.564 2.887 70 10 JFIE COc1ccccc1CCNC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306735 GYPKRMIKCIZNKB-UHFFFAOYSA-N 460.328 2.986 70 10 JFIE NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 217281247 IMEKAJWVUBWXOK-UHFFFAOYSA-N 456.524 2.584 70 10 JFIE COc1ccc(C(=O)N2CCCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 216857484 LMOAERRYIMLVQV-UHFFFAOYSA-N 458.511 2.718 70 10 JFIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 216699762 SLIOEGIHEQCSSV-UHFFFAOYSA-N 481.505 2.776 70 10 JFIE CS(=O)(=O)N1CCC[C@@H](C[C@@H](NN)c2cc(Br)c(Br)s2)C1 217366635 RIGZJJRCMYCSAN-WCBMZHEXSA-N 461.245 2.839 70 10 JFIE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CCCN1c1nccs1 217743160 WKVRHTMKMYLGSQ-LBPRGKRZSA-N 463.412 2.904 70 10 JFIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 218268019 FEACQDWCULPQOR-IBGZPJMESA-N 468.535 2.760 70 10 JFIE Cc1c(I)cc(B2OC(C)(C)C(C)(C)O2)cc1CS(=O)(=O)Cl 1887522083 ANIDXNOKMNEFQX-UHFFFAOYSA-N 456.538 2.967 70 10 JFIE Cc1cc(Br)c(C(=O)NC2CN(S(=O)(=O)F)C2)cc1NC(=O)OC(C)(C)C 2284154036 UYGXBKUTTBYEDI-UHFFFAOYSA-N 466.329 2.733 70 10 JFIE O=C(c1cc(I)ccc1Br)N1CC[C@@H](S(=O)(=O)F)C1 1968236615 YIDBXIJGBYWPFU-MRVPVSSYSA-N 462.078 2.568 70 10 JFIE Cc1c(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)sc2nc(-c3ccc(F)cc3)cn12 218644380 AKVKTTRFORVIGR-UHFFFAOYSA-N 489.540 2.843 70 10 JFIE C[C@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O 217285003 WBMWZGYXMDZWLJ-NQIIRXRSSA-N 450.539 2.605 70 10 JFIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248484277 AIWXDUCGAQZIKJ-IVZQSRNASA-N 489.569 2.955 70 10 JFIE CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1 217571783 DTQKZCBZGMRPMK-XMMPIXPASA-N 456.564 2.951 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1 2060816636 UNIGVCPUPISZOE-GCJKJVERSA-N 470.563 2.731 70 10 JFIE COCCn1c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217524929 BBVJPDANCMNDCU-UHFFFAOYSA-N 472.501 2.598 70 10 JFIE Cc1cc(S(=O)(=O)Cl)ccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2146006288 YLVSDLFAQOZLDB-UHFFFAOYSA-N 470.956 2.741 70 10 JFIE C[C@@H](c1ccccc1)N1C[C@H](NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O 217285002 WBMWZGYXMDZWLJ-GHTZIAJQSA-N 450.539 2.605 70 10 JFIE CN(C(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl)C1CC(OCc2ccccc2)C1 2134185570 JFNJGXLPUZYWFC-UHFFFAOYSA-N 462.753 2.920 70 10 JFIE O=Cc1cc(S(=O)(=O)Cl)c(I)cc1I 2055142150 LJLYMMXWHGLVAV-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE O=C(c1cc(Br)ccc1I)N1CC[C@@H](S(=O)(=O)F)C1 1968236106 SHCPKBDXSDCOGJ-MRVPVSSYSA-N 462.078 2.568 70 10 JFIE O=[N+]([O-])c1cc(I)c(I)cc1S(=O)(=O)Cl 2060016002 NZPYJLRGZABNTJ-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE CCOc1ccccc1OCc1nn2c(C3CCN(S(=O)(=O)Cl)CC3)nnc2s1 2059037112 QBZRGWAXEVTLEU-UHFFFAOYSA-N 457.965 2.827 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(S(=O)(=O)F)C2)cc1I 2078991342 WVGXNXRVBTVCQX-UHFFFAOYSA-N 484.287 2.762 70 10 JFIE CSCCS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1I 2240636158 RJXASBCQSYRFLL-UHFFFAOYSA-N 469.775 2.632 70 10 JFIE C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O 217285005 WBMWZGYXMDZWLJ-RXVVDRJESA-N 450.539 2.605 70 10 JFIE Cn1c(-c2cc(Br)ccc2I)nnc1S(=O)(=O)Cl 236082970 WFFHYDSSOFZLOA-UHFFFAOYSA-N 462.494 2.777 70 10 JFIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC(CCS(=O)(=O)F)C2)C1 2256771689 IXAKHOGCARRBEH-UHFFFAOYSA-N 470.563 2.588 70 10 JFIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCC(S(=O)(=O)F)CC1 2010540264 DLVUTQZHPFVYNH-QGZVFWFLSA-N 458.552 2.777 70 10 JFIE CN(C)CCN(C(=O)NCCCOc1ccc(Br)cc1Cl)[C@H]1CCS(=O)(=O)C1 217299050 IHSJTMXHZKZPEH-HNNXBMFYSA-N 496.855 2.632 70 10 JFIE COc1ccc(CCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217511112 QAKCAUGRPSXXOY-UHFFFAOYSA-N 453.948 2.734 70 10 JFIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(S(=O)(=O)F)CC1 1901530372 LRCKBTBKHPHZBB-NRFANRHFSA-N 475.542 2.662 70 10 JFIE COc1c(S(=O)(=O)Cl)ccc(I)c1I 307108290 JAZYMKQXEOAKRZ-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CCS(=O)(=O)F)C1 2022196937 UYEZHCYQTBCGDG-YJBOKZPZSA-N 458.552 2.633 70 10 JFIE COc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)cc1OC 216855751 AHVRHXABBPGSMA-UHFFFAOYSA-N 479.533 2.554 70 10 JFIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC(CS(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2134970665 CMCMGDHDROCNGA-UHFFFAOYSA-N 483.606 2.694 70 10 JFIE N#Cc1c(I)ccc(S(=O)(=O)Cl)c1I 307151113 CAKTWZHYDDTCCF-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250013513 GBFJNBAHBNUQMA-ZHRRBRCNSA-N 489.569 2.955 70 10 JFIE O=S(=O)(Cl)CCS(=O)(=O)c1ccc(I)cc1C(F)(F)F 708402497 YAIXHHBRCJWDFY-UHFFFAOYSA-N 462.636 2.652 70 10 JFIE CC(C)(C)OC(=O)N1CCN(C[C@H](O)CBr)CCN(C(=O)OC(C)(C)C)CC1 113188516 POTJVXSMCOWQNO-OAHLLOKOSA-N 466.417 2.532 70 10 JFIE N#Cc1cc(I)cc(S(=O)(=O)Cl)c1I 307275630 RRHFQNGBCNWRDU-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE COc1ccc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)cc1OC 216887296 YZHRRLBVLICXJX-UHFFFAOYSA-N 479.533 2.743 70 10 JFIE COc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216858159 KNUFSNYMWITFEB-DENIHFKCSA-N 479.577 2.988 70 10 JFIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216870188 JIVGWLGXTPVPQJ-QFIPXVFZSA-N 479.577 2.721 70 10 JFIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 217902887 GBLGGSJFEBIKEM-AZUAARDMSA-N 492.569 2.559 70 10 JFIE O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Br)C1 2144732225 CRLLBGXECFTDFP-ZCFIWIBFSA-N 471.189 2.726 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1 2181138445 AZCYFUZWTQBQNA-UHFFFAOYSA-N 466.329 2.768 70 10 JFIE COc1cc(-c2cc(C(=O)NCCCc3cnc4cc(C)nn4c3)[nH]n2)cc(OC)c1OC 218033578 PIJAMKSVZNRQML-UHFFFAOYSA-N 450.499 2.816 70 10 JFIE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CCCN1c1nccs1 217743237 WKVRHTMKMYLGSQ-GFCCVEGCSA-N 463.412 2.904 70 10 JFIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)F)CC1 1968218790 YSIBILSEFJLDBS-MAUKXSAKSA-N 458.552 2.775 70 10 JFIE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1 2146006300 YSQWETNAWGOSLR-UHFFFAOYSA-N 491.012 2.562 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1 2181140260 YJNFAXSMFDUWIK-UHFFFAOYSA-N 466.329 2.672 70 10 JFIE CC(C)(C)OC(=O)N(CCCC(=O)NC1CCN(S(=O)(=O)F)CC1)Cc1ccccc1 2010539185 PECLSEJUKBXPGI-UHFFFAOYSA-N 457.568 2.999 70 10 JFIE O=C(NCCCOc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217299708 MUHZLKLUTLTHEA-UHFFFAOYSA-N 453.948 2.952 70 10 JFIE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2c1 865204107 FOXVOVVNIODWDO-UHFFFAOYSA-N 481.527 2.881 70 10 JFIE O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCN(C(=O)C(F)(F)F)CC1 216715892 SQSYFLPMQDSWPC-IBGZPJMESA-N 473.451 2.517 70 10 JFIE Cc1cc2ncc(CCCNC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cn2n1 218019900 SCBFPZWXLSLQCI-UHFFFAOYSA-N 457.600 2.753 70 10 JFIE Cn1cc(S(=O)(=O)F)c(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)n1 2060816051 XHOMBNXKRZHDBD-HNNXBMFYSA-N 470.523 2.517 70 10 JFIE O=S(=O)(Cl)c1cc(Br)c(OCCN2CCOCC2)c(Br)c1 215863045 HVPCRSMYDCOUHK-UHFFFAOYSA-N 463.575 2.850 70 10 JFIE Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 218618006 UZRYKBGMKWSLKT-UHFFFAOYSA-N 453.506 2.559 70 10 JFIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CC(CCS(=O)(=O)F)C1 2022196777 RMZGAJSOYNLSGY-GOSISDBHSA-N 458.552 2.634 70 10 JFIE O=Cc1cc(S(=O)(=O)Cl)cc(I)c1I 2055146643 OIZUNBRPHLRZOW-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(Br)cc3)CC2)cc1 217315594 LSWYFYVSTRJTNB-UHFFFAOYSA-N 452.374 2.974 70 10 JFIE CC(C)(C)OC(=O)N1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cc(S(=O)(=O)F)c2)CC1 1887521585 CWWVKPGOQFTWCR-UHFFFAOYSA-N 484.399 2.697 70 10 JFIE COc1cc(I)c(I)cc1S(=O)(=O)Cl 306938664 NCZYVWGOFNHBPG-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1 2060816638 UNIGVCPUPISZOE-XMSQKQJNSA-N 470.563 2.731 70 10 JFIE O=[N+]([O-])c1cc(I)c(S(=O)(=O)Cl)c(I)c1 2060014081 FRPJGMMZVIAZAD-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218681826 QEODLJVNZUWNHX-UHFFFAOYSA-N 474.761 2.528 70 10 JFIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CN(S(=O)(=O)F)C1 2009719051 FXQIHZPYDMVKJB-JOCHJYFZSA-N 489.569 2.812 70 10 JFIE COCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3NC(=O)C(F)(F)F)cc2C1=O 216811519 MHAWRHRZLBYECD-UHFFFAOYSA-N 463.412 2.750 70 10 JFIE COc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216858135 KNUFSNYMWITFEB-KNQAVFIVSA-N 479.577 2.988 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CN(S(=O)(=O)F)C1 1974058543 FXQIHZPYDMVKJB-QFIPXVFZSA-N 489.569 2.812 70 10 JFIE Cc1c(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)sc2nc(-c3ccccc3)cn12 218644272 VKDFRTRKVJYZOV-UHFFFAOYSA-N 471.550 2.704 70 10 JFIE COC(=O)c1ccc(CNC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306724 FFVQAWYOPDBAEG-UHFFFAOYSA-N 474.311 2.721 70 10 JFIE COc1cc(S(=O)(=O)Cl)c(I)cc1I 307431725 XGRRALKALZNBHH-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE C[C@H](c1ccccc1)N1C[C@H](NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O 217285000 WBMWZGYXMDZWLJ-WIYYLYMNSA-N 450.539 2.605 70 10 JFIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c(S(=O)(=O)F)c(C)c1OS(=O)(=O)F 1887511706 UIFLNUFRUKNQMD-UHFFFAOYSA-N 498.570 2.916 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2243721254 BOGXTLQFYWQYLY-NRFANRHFSA-N 475.542 2.564 70 10 JFIE COc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)cc1OC 216887260 MEQXDONRRJRHEQ-UHFFFAOYSA-N 479.533 2.743 70 10 JFIE COc1ccc(C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 216886780 LJXFQFZJZQZXPZ-UHFFFAOYSA-N 458.511 2.764 70 10 JFIE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccccc1S(=O)(=O)F 2146003420 MRHBTJOAUQTCCK-UHFFFAOYSA-N 454.501 2.553 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1 2287062098 BPHXYAOTOVEUSC-LLVKDONJSA-N 466.329 2.815 70 10 JFIE O=C(NC1CCN(C(=O)C(F)(F)F)CC1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216744223 CWAUGVXUFHNSTN-UHFFFAOYSA-N 451.445 2.898 70 10 JFIE COCCCN1C(=O)c2ccc(NC(=O)N3CCN(c4ccccc4OC)CC3)cc2C1=O 217280957 YURSHCPZGSDRSG-UHFFFAOYSA-N 452.511 2.682 70 10 JFIE C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Oc1ccc(O)cc1 217277705 RJFDKBRCZUDVML-CYBMUJFWSA-N 455.920 2.613 70 10 JFIE O=C(NCCCC(=O)N1CCN(S(=O)(=O)F)CC1)OCC1c2ccccc2-c2ccccc21 1974014536 JYAULOGJWUUPFA-UHFFFAOYSA-N 475.542 2.664 70 10 JFIE COc1ccc(C(=O)NCC2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216875143 YGGBBCHXFOEWMQ-UHFFFAOYSA-N 493.560 2.749 70 10 JFIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248484281 AIWXDUCGAQZIKJ-NYHFZMIOSA-N 489.569 2.955 70 10 JFIE COCCCN1C(=O)c2ccc(NC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O 217281083 WYJMOUFJBACANZ-UHFFFAOYSA-N 460.531 2.840 70 10 JFIE N#Cc1cc(I)c(S(=O)(=O)Cl)cc1I 306982972 SFJZVBITBOFKPD-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250018105 GBFJNBAHBNUQMA-ZHRRBRCNSA-N 489.569 2.955 70 10 JFIE Cc1cc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc1S(=O)(=O)Cl 2146005100 SFCULDVBXNFNNO-UHFFFAOYSA-N 470.956 2.741 70 10 JFIE O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(I)c1I 2060016570 BJCKSPGHNBCTOA-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE CS(=O)(=O)CCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 112601566 SEQXUERBOZGRLM-UHFFFAOYSA-N 470.588 2.953 70 10 JFIE O=C(c1[nH]nc(Br)c1S(=O)(=O)Cl)N1CCC[C@H](OCc2ccccc2)C1 2134185544 IWAORAXUAFMEAP-LBPRGKRZSA-N 462.753 2.921 70 10 JFIE O=S(=O)(Cl)c1ccc(CCNS(=O)(=O)C2CC(OCc3ccccc3)C2)s1 2161354027 DVCORXBKICIPEE-UHFFFAOYSA-N 450.003 2.885 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250018104 GBFJNBAHBNUQMA-AOMKIAJQSA-N 489.569 2.955 70 10 JFIE CCc1cc(S(=O)(=O)Cl)cc(C)c1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703990174 KRDWCCKCPMQXNG-UHFFFAOYSA-N 470.956 2.523 70 10 JFIE O=C(c1cc(Cl)cc(Cl)c1I)N1CC(CS(=O)(=O)F)C1 2199697699 LESSORNHNLESFY-UHFFFAOYSA-N 452.072 2.969 70 10 JFIE Cc1nc(NC(=O)c2cc(Br)ccc2Br)sc1S(N)(=O)=O 160833269 SEQVFVYBBICXFZ-UHFFFAOYSA-N 455.153 2.876 70 10 JFIE N#Cc1c(I)ccc(I)c1S(=O)(=O)Cl 306945726 ATDAWIOPLWATJO-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(c3nccs3)C2)c1C 218132180 MYVWBXVYHBZJJA-SFHVURJKSA-N 450.630 2.688 70 10 JFIE O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCCN(C(=O)C(F)(F)F)CC1 216715957 TUXHBYUQDBXBLN-UHFFFAOYSA-N 451.445 2.852 70 10 JFIE O=S(=O)(Oc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)cn2)nc1)C(F)(F)F 138010197 DNVXCQHHZYLARF-UHFFFAOYSA-N 452.310 2.600 70 10 JFIE CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(S(=O)(=O)F)cc3Cl)cc2)CC1 1527167341 MHFKCKGRIUCABU-UHFFFAOYSA-N 453.923 2.915 70 10 JFIE O=C(c1cc(I)ccc1Br)N1CCC[C@H](S(=O)(=O)F)C1 1968227813 SADKOWSXUCWMEL-VIFPVBQESA-N 476.105 2.958 70 10 JFIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Br)cc1 218007220 GLDILKIXBPIFMK-CJNGLKHVSA-N 458.305 2.972 70 10 JFIE O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCC(NC(=O)C(F)(F)F)CC1 216744161 CPQTWTCSRCCDSP-UHFFFAOYSA-N 451.445 2.898 70 10 JFIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2301663636 BZHFBGLRIRTCFA-LJQANCHMSA-N 486.525 2.756 70 10 JFIE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974394008 BHBWXBSNCVVUKH-HNNXBMFYSA-N 475.542 2.709 70 10 JFIE COc1ccc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)cc1OC 216887401 BXBNVTYGGDGOBD-UHFFFAOYSA-N 493.560 2.990 70 10 JFIE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc1 217961178 ZWDXVAZNOVQXBO-PXNSSMCTSA-N 478.542 2.691 70 10 JFIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 216704794 MFHVPZIRUFXFAC-UHFFFAOYSA-N 481.505 2.534 70 10 JFIE O=Cc1ccc(I)c(I)c1S(=O)(=O)Cl 2055149694 VBYHWZUSDJSABV-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE O=C(c1[nH]nc(Br)c1S(=O)(=O)Cl)N1CCC[C@@H](OCc2ccccc2)C1 2134185543 IWAORAXUAFMEAP-GFCCVEGCSA-N 462.753 2.921 70 10 JFIE O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CCCN(c2nccs2)C1 218133097 CIMRYBZESAQKJN-LBPRGKRZSA-N 463.412 2.761 70 10 JFIE Cc1cc(S(=O)(=O)Cl)cc(Cl)c1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703974839 CGXPQAKXTQGMSQ-UHFFFAOYSA-N 477.347 2.614 70 10 JFIE O=C(c1cc(I)ccc1Br)N1CC[C@H](S(=O)(=O)F)C1 1968236616 YIDBXIJGBYWPFU-QMMMGPOBSA-N 462.078 2.568 70 10 JFIE O=Cc1ccc(I)c(S(=O)(=O)Cl)c1I 2055143692 URQQXFMVPFKAND-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2243717588 BOGXTLQFYWQYLY-OAQYLSRUSA-N 475.542 2.564 70 10 JFIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl 703992305 ZTIIYDFYIVZKJS-UHFFFAOYSA-N 497.765 2.959 70 10 JFIE CN(C)CCN(C(=O)NCCCOc1ccc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 217299049 IHSJTMXHZKZPEH-OAHLLOKOSA-N 496.855 2.632 70 10 JFIE O=C(NC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CC1)OCC1c2ccccc2-c2ccccc21 1974402020 JABWLGATKJQUOO-UHFFFAOYSA-N 487.553 2.853 70 10 JFIE Cc1cc(Br)c(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)cc1Br 159679950 VIYDWOMDSFSTCS-UHFFFAOYSA-N 463.213 2.622 70 10 JFIE COc1ccc(S(=O)(=O)Cl)c(I)c1I 306816248 IKYWRQOBTMWLCN-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE COCCCN1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)C(F)(F)F)c3)cc2C1=O 216833129 QCFAJHHQOZAXNQ-UHFFFAOYSA-N 463.412 2.750 70 10 JFIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(S(=O)(=O)F)c(C)c1OS(=O)(=O)F 1887521138 SMCWJCKBYCIMJG-UHFFFAOYSA-N 484.543 2.607 70 10 JFIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CN(S(=O)(=O)F)C1 1901484815 CQCIZPMFAKEAIJ-NRFANRHFSA-N 475.542 2.566 70 10 JFIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(c2ccccc2)CC1 217306682 PYRVFXBZHJZQLM-UHFFFAOYSA-N 471.355 2.967 70 10 JFIE Cc1cc(NS(=O)(=O)C[C@H](C)F)c(I)cc1S(=O)(=O)Cl 2240636446 WDFZOHNNOCLZEA-ZETCQYMHSA-N 455.698 2.627 70 10 JFIE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)c1C 217571681 GVMOYEWOSNYYJA-DEOSSOPVSA-N 456.564 2.887 70 10 JFIE N#Cc1ccc(I)c(S(=O)(=O)Cl)c1I 307021003 AUXYVCSHLSJJLT-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NC2CCN(S(=O)(=O)F)CC2)C1 2181138957 HWXBRQTYTBJWKY-QHCPKHFHSA-N 499.605 2.625 70 10 JFIE O=[N+]([O-])c1c(I)cc(S(=O)(=O)Cl)cc1I 2060015563 DGKXDFJQNCNCBS-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE COc1cccc(N2C[C@H](C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)CC2=O)c1 217531367 GPUUHLIMBZVSKB-CQSZACIVSA-N 450.461 2.959 70 10 JFIE COc1ccc(C(=O)N2CCC(NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 216886836 HZONPZNWLVYYFA-UHFFFAOYSA-N 458.511 2.764 70 10 JFIE CC(=O)N1CCN(c2ccccc2CNc2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)CC1 1639389297 GGWLATCGYMDINU-UHFFFAOYSA-N 450.492 2.675 70 10 JFIE CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(S(=O)(=O)F)ccc3Cl)cc2)CC1 1357805401 UGEMYFKRGKAPGG-UHFFFAOYSA-N 453.923 2.915 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)F)CC2)c1 2181138550 CLHBYLMUVYZBQL-UHFFFAOYSA-N 466.329 2.768 70 10 JFIE Cc1cc(NS(=O)(=O)CC(C)C)c(I)cc1S(=O)(=O)Cl 2240636114 QSLCFNMUYDZDQP-UHFFFAOYSA-N 451.735 2.925 70 10 JFIE O=C(c1[nH]nc(Br)c1S(=O)(=O)Cl)N1CCC(OCc2ccccc2)CC1 2134205303 YDIWDMSVRYAORE-UHFFFAOYSA-N 462.753 2.921 70 10 JFIE C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)Cc1ccco1 217283291 DMVZNLAVGHHOIW-DEOSSOPVSA-N 467.547 2.983 70 10 JFIE O=Cc1cc(I)cc(I)c1S(=O)(=O)Cl 2055142917 ZSNJVVQCZMWLCT-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974394009 BHBWXBSNCVVUKH-OAHLLOKOSA-N 475.542 2.709 70 10 JFIE CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1 217455881 YVWFDMQYQVJNNY-UHFFFAOYSA-N 453.568 2.504 70 10 JFIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 217964138 VQRRDKZJTBFQHO-KBXCAEBGSA-N 453.426 2.780 70 10 JFIE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc1 217961095 ZWDXVAZNOVQXBO-XLIONFOSSA-N 478.542 2.691 70 10 JFIE COCCCN1C(=O)c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2C1=O 217280913 VXRFUEFQDJJAME-UHFFFAOYSA-N 451.527 2.715 70 10 JFIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 1968227055 KIZMXDVLAHPSIC-RYQLBKOJSA-N 458.552 2.775 70 10 JFIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCc1cccc(NC(=O)C(F)(F)F)c1 216838907 MRFFGIBUBACFQK-UHFFFAOYSA-N 484.228 2.862 70 10 JFIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2124733311 NPZQOUJZPUEHBL-INIZCTEOSA-N 481.502 2.705 70 10 JFIE CCn1cc(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)c(=O)c2ccc(C)nc21 217944563 KJGPIUUQMOAFFW-HNAYVOBHSA-N 453.470 2.699 70 10 JFIE COCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3CNC(=O)C(F)(F)F)cc2C1=O 216811454 YBDGFARRPZUPDI-UHFFFAOYSA-N 463.412 2.750 70 10 JFIE O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216728118 SYQRAOIAZGNBGT-FQEVSTJZSA-N 487.478 2.811 70 10 JFIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(S(=O)(=O)F)CC1 1974014703 LRURJOIMBUAXGW-UHFFFAOYSA-N 475.542 2.662 70 10 JFIE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCc1cccs1)C1CCOCC1 217291443 YRLIFRNLDSMDOW-UHFFFAOYSA-N 464.609 2.633 70 10 JFIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 217903377 DSVDKDVBXARWBL-PXNSSMCTSA-N 492.569 2.623 70 10 JFIE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](S(=O)(=O)F)C1 1968227238 LNLZWHIYLIPDTF-SECBINFHSA-N 476.105 2.958 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2287063318 OYHLMAYIEDKOTO-NSHDSACASA-N 466.329 2.815 70 10 JFIE Cc1nc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2146004816 QWCLMMMHYOTEKU-UHFFFAOYSA-N 492.000 2.587 70 10 JFIE COc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216858079 KNUFSNYMWITFEB-UGKGYDQZSA-N 479.577 2.988 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc1Br 2287070213 PDTJMLXYYBWSLF-NSHDSACASA-N 466.329 2.815 70 10 JFIE O=C(NC1CC(COCc2ccccc2)C1)c1[nH]nc(Br)c1S(=O)(=O)Cl 2134187975 BLUJRZNIQBNPSQ-UHFFFAOYSA-N 462.753 2.825 70 10 JFIE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](S(=O)(=O)F)C1 1968227812 SADKOWSXUCWMEL-SECBINFHSA-N 476.105 2.958 70 10 JFIE O=C1OC2(CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2ccccc21 217520715 VFPCSGJGKOPLSQ-UHFFFAOYSA-N 466.918 2.836 70 10 JFIE O=C(NC1CCN(S(=O)(=O)F)CC1)c1scc(Br)c1Br 1974394259 GIGMMVFFBFBGGV-UHFFFAOYSA-N 450.149 2.682 70 10 JFIE COc1ccc(C(=O)NCCNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1OC 216863465 AYELXIDYHDISGU-UHFFFAOYSA-N 479.533 2.792 70 10 JFIE O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CCCN(c2nccs2)C1 218133173 CIMRYBZESAQKJN-GFCCVEGCSA-N 463.412 2.761 70 10 JFIE O=[N+]([O-])c1c(S(=O)(=O)Cl)ccc(I)c1I 2060014258 HTPJOIRWYDEMLC-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2COCCO2)c(Br)c1 690724186 HYVBICQKLFCWFD-ZETCQYMHSA-N 450.532 2.933 70 10 JFIE O=C(c1cc(I)ccc1Br)N1CC(CCS(=O)(=O)F)C1 2199690703 ZCFOSTAUCFQGCX-UHFFFAOYSA-N 476.105 2.815 70 10 JFIE COc1ccc(I)c(I)c1S(=O)(=O)Cl 306923218 ZAUPJUUJZIRHII-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE Cc1cc(S(=O)(=O)Cl)cc(C)c1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703996152 HSXJTOLSBKMUCZ-UHFFFAOYSA-N 470.956 2.659 70 10 JFIE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc1 217960922 ZWDXVAZNOVQXBO-YLJYHZDGSA-N 478.542 2.691 70 10 JFIE O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCC(CNC(=O)C(F)(F)F)CC1 216727954 YNLUPKUEIIBCGB-HXUWFJFHSA-N 487.478 2.811 70 10 JFIE Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218633879 PWCOQZPLINKOJF-UHFFFAOYSA-N 450.890 2.637 70 10 JFIE COCCn1c(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217581162 QDSZAKKHIZBBPQ-SANMLTNESA-N 472.501 2.598 70 10 JFIE CC(C)N1C(=O)c2ccc(NC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2C1=O 217279370 PGQBMBVPAKBVKH-UHFFFAOYSA-N 450.495 2.769 70 10 JFIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)F)CC1 2010545711 YSIBILSEFJLDBS-QAPCUYQASA-N 458.552 2.775 70 10 JFIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248487195 AIWXDUCGAQZIKJ-NYHFZMIOSA-N 489.569 2.955 70 10 JFIE COc1ccc(CC(=O)NCC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216878892 AYEQSRCBVNXQCG-UHFFFAOYSA-N 456.539 2.932 70 10 JFIE CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1 217519411 YXKADXDBJQGBNU-UHFFFAOYSA-N 456.564 2.951 70 10 JFIE O=Cc1cc(I)c(I)c(S(=O)(=O)Cl)c1 2055148922 KZPGRUKWGJUNTF-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216870250 VBNUAMZGUBXSMJ-QFIPXVFZSA-N 479.577 2.721 70 10 JFIE COc1cc(I)cc(S(=O)(=O)Cl)c1I 307431727 XGYDBEXWNKBWOH-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 216697820 BAOHIOWLFNJVJT-UHFFFAOYSA-N 460.483 2.798 70 10 JFIE O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc2c(c1)OCCCO2 217474905 MNGZKTWVIFSFSL-UHFFFAOYSA-N 454.552 2.964 70 10 JFIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCC[C@H](S(=O)(=O)F)C1 2010540551 ILFWZHRZPBAIGB-ROUUACIJSA-N 458.552 2.777 70 10 JFIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248876584 YOVLFBOMKUGYOT-JOCHJYFZSA-N 489.569 2.955 70 10 JFIE CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(C(=O)c4ccco4)s3)cc21 217293113 VEYBDXDPMVTCCS-UHFFFAOYSA-N 487.559 2.539 70 10 JFIE COc1cc(I)c(S(=O)(=O)Cl)cc1I 306522081 ORCIRRUSHDKOIZ-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE Cc1nc(N)nc(N)c1CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1 100459016 WJNUDKYWXREWKM-UHFFFAOYSA-N 459.503 2.872 70 10 JFIE CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1 218132347 JCTMFUJDAYJHDM-INIZCTEOSA-N 450.630 2.752 70 10 JFIE O=C(c1cc(Br)ccc1I)N1CC(CCS(=O)(=O)F)C1 2199686978 DWIRWHFBZJSOKN-UHFFFAOYSA-N 476.105 2.815 70 10 JFIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)cc1OC 216868821 OCTFPTDRPDIDEZ-UHFFFAOYSA-N 493.560 2.990 70 10 JFIE Cn1c(-c2cc(I)ccc2Br)nnc1S(=O)(=O)Cl 236084233 IEZVXBLSKLYRRH-UHFFFAOYSA-N 462.494 2.777 70 10 JFIE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(S(=O)(=O)F)nc1)Cc1ccccc1 2060813012 FBKMLYNBYTWODD-UHFFFAOYSA-N 466.535 2.705 70 10 JFIE O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCC(CNC(=O)C(F)(F)F)CC1 216727997 YNLUPKUEIIBCGB-FQEVSTJZSA-N 487.478 2.811 70 10 JFIE COc1ccc(CCNC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306422 QBMQGFHOSDXJGJ-UHFFFAOYSA-N 460.328 2.986 70 10 JFIE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN2c2nccs2)c1C 217745369 HCFHOTWVOBZYLE-GOSISDBHSA-N 450.630 2.830 70 10 JFIE Cn1c(-c2ccc(Br)cc2I)nnc1S(=O)(=O)Cl 2086145768 RBFAEZPXWIUNMB-UHFFFAOYSA-N 462.494 2.777 70 10 JFIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2124735290 UNNVAHDAOLSOSC-LJQANCHMSA-N 483.606 2.836 70 10 JFIE COCCN(C(=O)NCCCOc1ccc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 217299051 MUJMAUXQCRUGJF-CQSZACIVSA-N 483.812 2.717 70 10 JFIE CC(C)(C)N1C(=O)c2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2C1=O 217280656 PPESFQSUUHLCDZ-UHFFFAOYSA-N 470.551 2.620 70 10 JFIE COc1ccc(CCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 217308013 JBQRXRYINXGSLB-UHFFFAOYSA-N 483.974 2.742 70 10 JFIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2060818545 QSSIISRKFACCMY-KRWDZBQOSA-N 466.535 2.704 70 10 JFIE O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216728068 SYQRAOIAZGNBGT-HXUWFJFHSA-N 487.478 2.811 70 10 JFIE COc1cc(I)c(I)c(S(=O)(=O)Cl)c1 306632321 BNPKVJUZQRHITD-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE O=C(NC1CCN(S(=O)(=O)F)CC1)c1csc(Br)c1Br 1974394151 DRYUSSOHSBFWIW-UHFFFAOYSA-N 450.149 2.682 70 10 JFIE O=C(NC1CCN(C(=O)C(F)(F)F)CC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216744097 UXGJBGDKYXNBOI-IBGZPJMESA-N 473.451 2.563 70 10 JFIE COCCCN1C(=O)c2ccc(C(=O)NCc3ccc(NC(=O)C(F)(F)F)cc3)cc2C1=O 216791589 HMMWFWIJDMIEMO-UHFFFAOYSA-N 463.412 2.750 70 10 JFIE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC1CCN(S(=O)(=O)F)CC1 1974402540 OMNDESBBRNRYPD-UHFFFAOYSA-N 475.542 2.710 70 10 JFIE O=Cc1c(I)ccc(I)c1S(=O)(=O)Cl 2055145993 IBVZDJFNTKUSMX-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE CCOc1cc(C(=O)N(CCN2CCOCC2)C2CCOCC2)cc(OCC)c1OCC 217285008 JDBYCTYSEHOUNI-UHFFFAOYSA-N 450.576 2.836 70 10 JFIE CCn1cc(C(=O)N2C[C@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)c(=O)c2ccc(C)nc21 217944476 KJGPIUUQMOAFFW-DNVCBOLYSA-N 453.470 2.699 70 10 JFIE CN(C(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl)[C@H]1CC[C@@H]1OCc1ccccc1 2134184523 ANXUWDHZHOUYHY-RYUDHWBXSA-N 462.753 2.920 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(C(=O)NCC2CN(S(=O)(=O)F)C2)ccc1Br 2181139334 MHDQQQHKJFVGPY-UHFFFAOYSA-N 466.329 2.672 70 10 JFIE COc1ccc(N2C[C@@H](C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)CC2=O)cc1 217531653 DXGDZSGPVIKPEQ-AWEZNQCLSA-N 450.461 2.959 70 10 JFIE Cc1cc(C)n(CC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1 216789364 KDMCVPHUZKBQKK-UHFFFAOYSA-N 476.581 2.904 70 10 JFIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)CC2)cc1 217280657 ORELIYKIMUZVAA-UHFFFAOYSA-N 484.578 2.928 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2287063317 OYHLMAYIEDKOTO-LLVKDONJSA-N 466.329 2.815 70 10 JFIE Cc1c(CS(=O)(=O)Cl)c(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1OS(=O)(=O)F 1887514750 TVWIVLXSIYNWEI-UHFFFAOYSA-N 456.750 2.573 70 10 JFIE Cn1cc(S(=O)(=O)F)c(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)n1 2243935610 DZHSZDGUFNVJTO-UHFFFAOYSA-N 472.498 2.946 70 10 JFIE O=S(=O)(F)C1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1 2144733181 NFKFPQMAAQQNBM-UHFFFAOYSA-N 471.189 2.726 70 10 JFIE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCC1CN(S(=O)(=O)F)C1 1974054327 BUCRXCUEVLLAFC-UHFFFAOYSA-N 475.542 2.568 70 10 JFIE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(c3nccs3)C2)c1C 218132251 MYVWBXVYHBZJJA-GOSISDBHSA-N 450.630 2.688 70 10 JFIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(Cc2ccccc2)CC1 217306496 OZAXTLLRTMUZSL-UHFFFAOYSA-N 485.382 2.963 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCN(S(=O)(=O)F)CC1 1974001163 OBFFCYNJDNBPPK-UHFFFAOYSA-N 466.329 2.768 70 10 JFIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250013511 GBFJNBAHBNUQMA-KSFYIVLOSA-N 489.569 2.955 70 10 JFIE O=C1O[C@@]2(CCCN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)C2)c2ccccc21 217572414 DGCWBTQGZGQMEC-HXUWFJFHSA-N 469.346 2.960 70 10 JFIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Br)cc1 218007292 GLDILKIXBPIFMK-CZUORRHYSA-N 458.305 2.972 70 10 JFIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)F)CC1 2010545712 YSIBILSEFJLDBS-YJBOKZPZSA-N 458.552 2.775 70 10 JFIE N#Cc1ccc(I)c(I)c1S(=O)(=O)Cl 307451173 RMFUXBLMBYGYEP-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE Cc1cc(NS(=O)(=O)CC(F)F)c(I)cc1S(=O)(=O)Cl 2240635354 DXFQGSXHHLYCEY-UHFFFAOYSA-N 459.661 2.534 70 10 JFIE CCS(=O)(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 103402794 OMLNESBRCRHKRP-UHFFFAOYSA-N 470.588 2.953 70 10 JFIE COc1ccc(C(=O)N2CCCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)cc1OC 216857622 QTJBUXDMTDEFSJ-UHFFFAOYSA-N 479.533 2.697 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)ccc1Br 2181139720 QXKYERLQFSKTHN-UHFFFAOYSA-N 466.329 2.768 70 10 JFIE N#Cc1c(S(=O)(=O)Cl)ccc(I)c1I 306708153 SHWIGANODUUVSD-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE COc1c(I)cc(S(=O)(=O)Cl)cc1I 306523959 WIHWUUFHTPKFDU-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3CS(=O)(=O)F)cc2)CC1 1307113391 ZDMWRWFLWQTBGJ-UHFFFAOYSA-N 450.492 2.675 70 10 JFIE O=C(c1ccc(I)c(Br)c1)N1CC(CCS(=O)(=O)F)C1 2199688025 DARRMOAZZNYXNU-UHFFFAOYSA-N 476.105 2.815 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC(CS(=O)(=O)F)C2)C1 2078998291 SUYMAVBJHFXGOR-JOCHJYFZSA-N 470.563 2.588 70 10 JFIE O=[N+]([O-])c1ccc(I)c(S(=O)(=O)Cl)c1I 2060018443 TYJNKLVOYIKMCG-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE CN(C(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl)[C@@H]1CC[C@H]1OCc1ccccc1 2134184524 ANXUWDHZHOUYHY-VXGBXAGGSA-N 462.753 2.920 70 10 JFIE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1CCN(S(=O)(=O)F)C1 2244559304 KRQWUOAWBCMCRJ-MRXNPFEDSA-N 475.542 2.710 70 10 JFIE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1cccs1)C1CCOCC1 217290813 BBWKRFAHKAZLLF-UHFFFAOYSA-N 450.582 2.590 70 10 JFIE CCn1cc(C(=O)N2C[C@H](Oc3ccccc3F)C[C@H]2C(=O)OC)c(=O)c2ccc(C)nc21 217944652 KJGPIUUQMOAFFW-BEFAXECRSA-N 453.470 2.699 70 10 JFIE O=C(N[C@@H](CCC(=O)N1CCC(S(=O)(=O)F)CC1)C(F)(F)F)OCc1ccccc1 1968217157 IJFPGSAXDMWKID-HNNXBMFYSA-N 454.442 2.914 70 10 JFIE CS(=O)(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 103122817 XORYHQDRDVSEEV-UHFFFAOYSA-N 456.561 2.563 70 10 JFIE C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Oc1ccc(O)cc1 217277704 RJFDKBRCZUDVML-ZDUSSCGKSA-N 455.920 2.613 70 10 JFIE O=Cc1ccc(S(=O)(=O)Cl)c(I)c1I 2055148937 LLWBNVBOZGYDBL-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CCS(=O)(=O)F)C1 2022196934 UYEZHCYQTBCGDG-CRAIPNDOSA-N 458.552 2.633 70 10 JFIE O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc2c(c1)OCCCO2 217512068 KODLWVSPQMNKBT-UHFFFAOYSA-N 454.552 2.964 70 10 JFIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc([B-](F)(F)F)cc1OS(=O)(=O)F 1887520656 XAXQXHHRICQKDH-UHFFFAOYSA-N 455.259 2.695 70 10 JFIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 217903053 GBLGGSJFEBIKEM-ICSRJNTNSA-N 492.569 2.559 70 10 JFIE CCn1cc(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@H]2C(=O)OC)c(=O)c2ccc(C)nc21 217944741 KJGPIUUQMOAFFW-KXBFYZLASA-N 453.470 2.699 70 10 JFIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 217902977 GBLGGSJFEBIKEM-QUCCMNQESA-N 492.569 2.559 70 10 JFIE Cn1cc(S(=O)(=O)F)c(=NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)[nH]1 2302863309 MBVIEAXVRSDFNI-UHFFFAOYSA-N 484.509 2.510 70 10 JFIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1B(O)O 1887521032 MVKIDZCVTJNNER-UHFFFAOYSA-N 499.325 2.615 70 10 JFIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)C1 2256770530 ACCRWYVUUYTQAJ-SFHVURJKSA-N 470.563 2.731 70 10 JFIE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2124731064 IQAPKPSCJOJNQR-IBGZPJMESA-N 483.606 2.836 70 10 JFIE CN(CCCOCc1ccccc1)C(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl 2070726737 DBZUMFCQBWGJDM-UHFFFAOYSA-N 450.742 2.779 70 10 JFIE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)s1 2146002598 JYBXHZXVVFKCEH-GFCCVEGCSA-N 491.012 2.732 70 10 JFIE O=C(c1ccc(Br)cc1I)N1CC(CCS(=O)(=O)F)C1 2207260762 HNQUBTOIBXXRKQ-UHFFFAOYSA-N 476.105 2.815 70 10 JFIE COc1ccc(C(=O)NC2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216890387 WEEWIRSBEQPZOM-UHFFFAOYSA-N 479.533 2.501 70 10 JFIE O=Cc1cc(I)c(S(=O)(=O)Cl)c(I)c1 2055143443 NTTAQBQLLUEUFF-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE CS(=O)(=O)CCCOc1c(Br)cc(S(=O)(=O)F)cc1Br 2191430890 NCIYYPKRCOPPBH-UHFFFAOYSA-N 454.133 2.683 70 10 JFIE COc1cc(I)c(S(=O)(=O)Cl)c(I)c1 306921692 RNEARWQBNYSVCG-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(S(=O)(=O)F)CC1 1901530373 LRCKBTBKHPHZBB-OAQYLSRUSA-N 475.542 2.662 70 10 JFIE O=C(c1cc(Br)ccc1I)N1CCC[C@H](S(=O)(=O)F)C1 1968227239 LNLZWHIYLIPDTF-VIFPVBQESA-N 476.105 2.958 70 10 JFIE O=C(NC1CCN(S(=O)(=O)F)CC1)c1cc(Br)c(Br)s1 1974401913 HVUCJYFFMNXMHI-UHFFFAOYSA-N 450.149 2.682 70 10 JFIE C[SiH](C)[C@]1(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H](O)[C@@H](COC(C)(C)C)O1 613838831 SPLKMRNKQMETOI-MFEFFIJZSA-N 469.618 2.722 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)ccc1Br 2287067962 GBHOZFBNXMXKDO-LLVKDONJSA-N 466.329 2.815 70 10 JFIE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)CBr)CCN(C(=O)OC(C)(C)C)CC1 113188512 POTJVXSMCOWQNO-HNNXBMFYSA-N 466.417 2.532 70 10 JFIE O=C1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3I)CC[C@@H]2N1 160661274 KQQWCCDWGYALHK-RNCFNFMXSA-N 463.113 2.794 70 10 JFIE CCOc1cc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OCC)c1OCC 217274985 CJGNMJLSVRUDPA-UHFFFAOYSA-N 451.545 2.894 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC(CCS(=O)(=O)F)C2)C1 2134979236 PCUJYKDXRISHHP-QHCPKHFHSA-N 484.590 2.978 70 10 JFIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 217897970 XMGWMMOWWZUDLA-YLJYHZDGSA-N 463.527 2.772 70 10 JFIE Cn1cc(S(=O)(=O)F)c(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)n1 2060816052 XHOMBNXKRZHDBD-OAHLLOKOSA-N 470.523 2.517 70 10 JFIE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CCN(Cc2ccccc2)C1 2124717152 IXTRCKJMFUUXGG-QFIPXVFZSA-N 478.546 2.848 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2243717587 BOGXTLQFYWQYLY-NRFANRHFSA-N 475.542 2.564 70 10 JFIE O=[N+]([O-])c1cc(S(=O)(=O)Cl)cc(I)c1I 2060016361 WSDYZICOJVDNSB-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE N#Cc1cc(I)c(I)cc1S(=O)(=O)Cl 307074138 ANRWVGLZOVUFNB-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc2c(c1)OCO2 217306431 XXMHVCSJPRPRLE-UHFFFAOYSA-N 460.284 2.663 70 10 JFIE O=C1CC[C@H]2CN(C(=O)c3cc(Br)ccc3I)CC[C@@H]2N1 160661506 KQQWCCDWGYALHK-ZANVPECISA-N 463.113 2.794 70 10 JFIE O=S(=O)(F)c1cc(S(=O)(=O)Cl)c(I)cc1Br 1979449345 LLTFOHHSDXIDGL-UHFFFAOYSA-N 463.471 2.639 70 10 JFIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2248893698 YOVLFBOMKUGYOT-QFIPXVFZSA-N 489.569 2.955 70 10 JFIE Cc1cc2ncc(CCCNC(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)cn2n1 218018689 UAZCGARJIIKEGN-UHFFFAOYSA-N 470.382 2.762 70 10 JFIE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](S(=O)(=O)F)C1 1968235548 MEZCCMRSWYWDQS-QMMMGPOBSA-N 462.078 2.568 70 10 JFIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(S(=O)(=O)F)CC1 2009720988 ZOFFLZNMTDBSEH-JOCHJYFZSA-N 489.569 2.908 70 10 JFIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2010543092 HPMSWYHMBKMEAK-INIZCTEOSA-N 453.492 2.788 70 10 JFIE COc1ccc(C(=O)N2CCC(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216875208 UZGFTIBGMSPEFM-UHFFFAOYSA-N 493.560 2.749 70 10 JFIE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1 1529492232 NLOKTXJCBOVGBA-UHFFFAOYSA-N 456.517 2.587 70 10 JFIE COc1ccc(C(=O)N2CCC(NC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216890450 PEQUPLSUSRLNPE-UHFFFAOYSA-N 479.533 2.501 70 10 JFIE O=C(c1cc(Br)ccc1I)N1CC[C@H](S(=O)(=O)F)C1 1968236107 SHCPKBDXSDCOGJ-QMMMGPOBSA-N 462.078 2.568 70 10 JFIE CS(=O)(=O)CCCOC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2295803348 YZPOBZRQGGGMAZ-UHFFFAOYSA-N 452.959 2.846 70 10 JFIE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](S(=O)(=O)F)C1 1968227234 LLQVUCVOAOAYLL-VIFPVBQESA-N 476.105 2.958 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@H](S(=O)(=O)F)C2)C1 2060816635 UNIGVCPUPISZOE-AVRDEDQJSA-N 470.563 2.731 70 10 JFIE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1 2146002616 KEBPQKCNYLMQKN-UHFFFAOYSA-N 470.956 2.822 70 10 JFIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1CNC(=O)C(F)(F)F 216818710 CZKSIAGXRPHHBG-UHFFFAOYSA-N 484.228 2.862 70 10 JFIE O=Cc1cc(I)c(I)cc1S(=O)(=O)Cl 2055150259 YKLJNEBFPBQNAZ-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc1Br 2287070212 PDTJMLXYYBWSLF-LLVKDONJSA-N 466.329 2.815 70 10 JFIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N(CCO)Cc1ccccc1 217306554 VJBIKPVVAISUEZ-UHFFFAOYSA-N 460.328 2.639 70 10 JFIE COc1ccc(C(=O)N2CCCN(C(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)cc1OC 216857659 JSBDAALQMHSFAT-UHFFFAOYSA-N 493.560 2.944 70 10 JFIE N#Cc1cc(I)c(I)c(S(=O)(=O)Cl)c1 307072393 IEVQZDZGFAYOBB-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE COc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)cc1OC 216887362 OOLUCWIWDGHJFG-UHFFFAOYSA-N 493.560 2.990 70 10 JFIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 217898031 XMGWMMOWWZUDLA-FXAWDEMLSA-N 463.527 2.772 70 10 JFIE COc1ccc(CCNC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1OC 217306415 WJELYPWBCQTRKD-UHFFFAOYSA-N 490.354 2.994 70 10 JFIE N#Cc1ccc(S(=O)(=O)Cl)c(I)c1I 307537339 VAPYOLYPJXDAOL-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE N#CCCNC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215862201 SRGXWKOEFDARMZ-UHFFFAOYSA-N 460.531 2.548 70 10 JFIE CN(C(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl)[C@H]1CC[C@H]1OCc1ccccc1 2134184522 ANXUWDHZHOUYHY-NWDGAFQWSA-N 462.753 2.920 70 10 JFIE CP(C)(=O)CNC(=O)c1cc(I)cc(S(=O)(=O)Cl)c1F 2197106442 MXNCRUKUVULEOA-UHFFFAOYSA-N 453.597 2.668 70 10 JFIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccccc1Br 217996047 BXADDZRVEIXNAB-SWLSCSKDSA-N 458.305 2.972 70 10 JFIE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN2c2nccs2)cc1 217745565 IKUFATLFAPCGGM-QGZVFWFLSA-N 450.630 2.894 70 10 JFIE COc1c(I)ccc(I)c1S(=O)(=O)Cl 307412873 GSHOZJDDRUBDKK-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE N#Cc1cc(S(=O)(=O)Cl)cc(I)c1I 306599691 HTTNTSZKIXPQSE-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE Cc1c(OS(=O)(=O)F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1[B-](F)(F)F 1887520640 UTHCHZXQAPKCLG-UHFFFAOYSA-N 455.259 2.695 70 10 JFIE CCOc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 217308471 QGODTHCFFCWJRO-UHFFFAOYSA-N 461.584 2.661 70 10 JFIE N#Cc1c(I)cc(I)cc1S(=O)(=O)Cl 307265896 FOCHHBWSJSVXCI-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 217903152 DSVDKDVBXARWBL-YLJYHZDGSA-N 492.569 2.623 70 10 JFIE N#Cc1cc(I)c(S(=O)(=O)Cl)c(I)c1 306833259 NMZLUCJZYDKZPN-UHFFFAOYSA-N 453.426 2.695 70 10 JFIE O=C(N[C@@H](CCC(=O)N1CCC[C@H](S(=O)(=O)F)C1)C(F)(F)F)OCc1ccccc1 1968234852 GJEDLZKBYWMOBY-GJZGRUSLSA-N 454.442 2.914 70 10 JFIE O=C1CC[C@H]2CN(C(=O)c3cc(Br)ccc3I)CC[C@H]2N1 160661412 KQQWCCDWGYALHK-TVQRCGJNSA-N 463.113 2.794 70 10 JFIE O=C1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Br)CC[C@@H]2N1 160704786 DYQMIRPDYJJXHP-SFYZADRCSA-N 458.197 2.562 70 10 JFIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 218268077 FEACQDWCULPQOR-LJQANCHMSA-N 468.535 2.760 70 10 JFIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Br)cc1 218007053 GLDILKIXBPIFMK-BBRMVZONSA-N 458.305 2.972 70 10 JFIE O=C(N[C@@H](CCC(=O)N1CCC[C@@H](S(=O)(=O)F)C1)C(F)(F)F)OCc1ccccc1 1968234851 GJEDLZKBYWMOBY-CABCVRRESA-N 454.442 2.914 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC(CS(=O)(=O)F)C2)C1 2078998292 SUYMAVBJHFXGOR-QFIPXVFZSA-N 470.563 2.588 70 10 JFIE O=[N+]([O-])c1cc(I)cc(I)c1S(=O)(=O)Cl 2060018388 RYMGAYDOPAEYGF-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1 2146005659 UYPOBTZSCYYLRO-UHFFFAOYSA-N 474.919 2.571 70 10 JFIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1 703991701 UMMYLWFFPXYASO-UHFFFAOYSA-N 477.347 2.696 70 10 JFIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCC(S(=O)(=O)F)CC1 2010540263 DLVUTQZHPFVYNH-KRWDZBQOSA-N 458.552 2.777 70 10 JFIE COc1cccc(CCNC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c1 217306740 HFBZNZNCMPAXAT-UHFFFAOYSA-N 460.328 2.986 70 10 JFIE CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(C(=O)c4ccccc4)s3)cc21 217294617 YOUPSOWBSUHJIC-UHFFFAOYSA-N 497.598 2.946 70 10 JFIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 217964056 VQRRDKZJTBFQHO-KSSFIOAISA-N 453.426 2.780 70 10 JFIE Cc1c(CS(=O)(=O)Cl)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887519261 WKSGYHMCTBOKGU-UHFFFAOYSA-N 486.971 2.714 70 10 JFIE O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(I)cc1I 2060018057 KWRFRLCPMOGQFH-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC[C@H](S(=O)(=O)F)C2)C1 2060816637 UNIGVCPUPISZOE-PGRDOPGGSA-N 470.563 2.731 70 10 JFIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 1901486788 ZCKOHOGATOGMLE-VFNWGFHPSA-N 475.542 2.709 70 10 JFIE CC(C)(C)OC(=O)NC1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2134975067 NKFVUFKINLWHSV-UHFFFAOYSA-N 483.606 2.694 70 10 JFIE O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218637739 WCPIKTFWUGAFME-UHFFFAOYSA-N 452.478 2.828 70 10 JFIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2010543093 HPMSWYHMBKMEAK-MRXNPFEDSA-N 453.492 2.788 70 10 JFIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H]1COc2ccccc2O1 217306690 SDAZSDIMVDUQKM-CQSZACIVSA-N 474.311 2.574 70 10 JFIE O=C(c1ccc(Br)cc1I)N1CC[C@@H](S(=O)(=O)F)C1 1968235988 RCCIHRJCNYAWRL-MRVPVSSYSA-N 462.078 2.568 70 10 JFIE O=Cc1c(I)cc(I)cc1S(=O)(=O)Cl 2055147111 SPOQRFRPPMUVOJ-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE CC(C)(C)OC(=O)N1CCN(C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 217306766 NVDKSAHUAYAGAD-UHFFFAOYSA-N 495.374 2.698 70 10 JFIE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1CCN(S(=O)(=O)F)C1 2244559303 KRQWUOAWBCMCRJ-INIZCTEOSA-N 475.542 2.710 70 10 JFIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ncc(Br)cn1 217306749 YXAAZIIQITVIQE-UHFFFAOYSA-N 483.120 2.809 70 10 JFIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2010540552 ILFWZHRZPBAIGB-ZWKOTPCHSA-N 458.552 2.777 70 10 JFIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2010540550 ILFWZHRZPBAIGB-QZTJIDSGSA-N 458.552 2.777 70 10 JFIE O=Cc1c(S(=O)(=O)Cl)ccc(I)c1I 2055146465 MKUODBSPKKSDJE-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1F 2146005345 SVXPHUDOIYGEDI-UHFFFAOYSA-N 474.919 2.571 70 10 JFIE O=C(c1[nH]nc(Br)c1S(=O)(=O)Cl)N1CC[C@H](COCc2ccccc2)C1 2134204837 VAMSHHYLJBMKND-LBPRGKRZSA-N 462.753 2.779 70 10 JFIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)cc1[B-](F)(F)F 1887520648 WGDNYQKEWPWGGO-UHFFFAOYSA-N 455.259 2.695 70 10 JFIE O=Cc1cc(I)c(S(=O)(=O)Cl)cc1I 2055143195 HEORSLMLYFZZSJ-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE CC(C)(C)OC(=O)NC1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)CC1 2124735567 XDMMJKZHUJHBGG-UHFFFAOYSA-N 483.606 2.836 70 10 JFIE Cc1cc(NS(=O)(=O)C2(Cl)CC2)c(I)cc1S(=O)(=O)Cl 2240623840 NWCDCIVOIZLXRY-UHFFFAOYSA-N 470.137 2.998 70 10 JFIE O=C(NC1CCN(S(=O)(=O)F)CC1)c1cc(Br)sc1Br 1974394196 FGUOUEPHPNBOAS-UHFFFAOYSA-N 450.149 2.682 70 10 JFIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(S(=O)(=O)F)CC1 1974001720 ZOFFLZNMTDBSEH-QFIPXVFZSA-N 489.569 2.908 70 10 JFIE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN2c2nccs2)cc1 217745473 IKUFATLFAPCGGM-KRWDZBQOSA-N 450.630 2.894 70 10 JFIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC(S(=O)(=O)F)C2)c1 2078990738 NUWRPNDEBJPEGA-UHFFFAOYSA-N 484.287 2.762 70 10 JFIE O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCC(NC(=O)C(F)(F)F)CC1 216743939 CBHHHRNEINCFKV-LJQANCHMSA-N 473.451 2.563 70 10 JFIE CS(=O)(=O)N1CCC[C@H](C[C@@H](NN)c2cc(Br)c(Br)s2)C1 217366713 RIGZJJRCMYCSAN-PSASIEDQSA-N 461.245 2.839 70 10 JFIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2124735289 UNNVAHDAOLSOSC-IBGZPJMESA-N 483.606 2.836 70 10 JFIE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](S(=O)(=O)F)C1 1968235547 MEZCCMRSWYWDQS-MRVPVSSYSA-N 462.078 2.568 70 10 JFIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 217902820 GBLGGSJFEBIKEM-UYAOXDASSA-N 492.569 2.559 70 10 JFIE O=[N+]([O-])c1c(I)ccc(S(=O)(=O)Cl)c1I 2060017567 YUFPCTHVYGROKF-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE CCOc1ccccc1OCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217289639 APUUYSOIXMYZPG-UHFFFAOYSA-N 469.947 2.918 70 10 JFIE CN1CCO[C@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1 215851940 NIBGIJFVJXESLZ-QMMMGPOBSA-N 463.575 2.849 70 10 JFIE Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)nn2)n1 217393308 PUZKIIMNTUSWMU-UHFFFAOYSA-N 452.584 2.669 70 10 JFIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 217961356 GVTUAIBDVAJRTO-GHTZIAJQSA-N 490.553 2.835 70 10 JFIE O=C(NC1CCN(C(=O)C(F)(F)F)CC1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216744055 UXGJBGDKYXNBOI-LJQANCHMSA-N 473.451 2.563 70 10 JFIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 1901486787 ZCKOHOGATOGMLE-QVKFZJNVSA-N 475.542 2.709 70 10 JFIE COCCN(C(=O)NCCCOc1ccc(Br)cc1Cl)[C@H]1CCS(=O)(=O)C1 217299052 MUJMAUXQCRUGJF-AWEZNQCLSA-N 483.812 2.717 70 10 JFIE O=C(c1[nH]nc(Br)c1S(=O)(=O)Cl)N1CC[C@@H](COCc2ccccc2)C1 2134204835 VAMSHHYLJBMKND-GFCCVEGCSA-N 462.753 2.779 70 10 JFIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 217961438 GVTUAIBDVAJRTO-NQIIRXRSSA-N 490.553 2.835 70 10 JFIE O=C1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3I)CC[C@H]2N1 160661165 KQQWCCDWGYALHK-NOZJJQNGSA-N 463.113 2.794 70 10 JFIE O=Cc1c(I)ccc(S(=O)(=O)Cl)c1I 2055150079 CRWIPLMNGHFQHU-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Br)C1 2144732224 CRLLBGXECFTDFP-LURJTMIESA-N 471.189 2.726 70 10 JFIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 217903275 DSVDKDVBXARWBL-XLIONFOSSA-N 492.569 2.623 70 10 JFIE COc1cc(S(=O)(=O)Cl)cc(I)c1I 306985603 WQPBOIDSSAXWFF-UHFFFAOYSA-N 458.442 2.832 70 10 JFIE O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(c2nccs2)C1 218134428 URLYPZUVBVNLJY-ZDUSSCGKSA-N 460.984 2.637 70 10 JFIE COCCCN1C(=O)c2ccc(NC(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)cc2C1=O 217280873 ZIXJFUDJLAVXAE-UHFFFAOYSA-N 469.450 2.536 70 10 JFIE Cc1cc(NS(=O)(=O)C[C@@H](C)F)c(I)cc1S(=O)(=O)Cl 2240636445 WDFZOHNNOCLZEA-SSDOTTSWSA-N 455.698 2.627 70 10 JFIE O=C1O[C@]2(CCCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21 217574041 ATGPDSUVAAGNJV-NRFANRHFSA-N 466.918 2.836 70 10 JFIE O=C(NCCCOc1ccc(Br)cc1Cl)NCCN1C(=O)CSC1=O 217299158 ZNKJVSKVVOSECM-UHFFFAOYSA-N 450.742 2.866 70 10 JFIE Cc1c(OS(=O)(=O)F)cc(CS(=O)(=O)Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887519258 WFIHDJBZYHXRAJ-UHFFFAOYSA-N 486.971 2.714 70 10 JFIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)cc1OC 216868796 TYIUJTNFWYHVAH-UHFFFAOYSA-N 493.560 2.990 70 10 JFIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2244558491 ACOQBNMOUUMRKB-HNNXBMFYSA-N 475.542 2.709 70 10 JFIE O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217286373 YFUPZBFSXBMUFC-UHFFFAOYSA-N 460.537 2.949 70 10 JFIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCC[C@H](S(=O)(=O)F)C1 2010540549 ILFWZHRZPBAIGB-MSOLQXFVSA-N 458.552 2.777 70 10 JFIE Cc1c(I)cc(CS(=O)(=O)Cl)cc1B1OC(C)(C)C(C)(C)O1 1887578303 NJHRKXSENKUFMS-UHFFFAOYSA-N 456.538 2.967 70 10 JFIE Cc1c(CC(=O)O)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887514954 SUQMXLSHUKWJST-UHFFFAOYSA-N 460.524 2.889 70 10 JFIE COc1cccc(CCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 217423242 RKWADFQPLYCBPS-UHFFFAOYSA-N 453.948 2.734 70 10 JFIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)F)CC1 2010545710 YSIBILSEFJLDBS-CRAIPNDOSA-N 458.552 2.775 70 10 JFIE O=C(c1cc(I)ccc1Br)N1CCC(S(=O)(=O)F)CC1 1968217642 NELYALLSUDQENZ-UHFFFAOYSA-N 476.105 2.958 70 10 JFIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 217961281 GVTUAIBDVAJRTO-RXVVDRJESA-N 490.553 2.835 70 10 JFIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CC(CCS(=O)(=O)F)C1 2022196778 RMZGAJSOYNLSGY-SFHVURJKSA-N 458.552 2.634 70 10 JFIE O=Cc1cc(I)cc(S(=O)(=O)Cl)c1I 2055143723 VHBBATNZRKMALQ-UHFFFAOYSA-N 456.426 2.636 70 10 JFIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Br)cc1 218007129 GLDILKIXBPIFMK-XJKSGUPXSA-N 458.305 2.972 70 10 JFIE O=C1O[C@@]2(CCCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21 217573945 ATGPDSUVAAGNJV-OAQYLSRUSA-N 466.918 2.836 70 10 JFIE O=[N+]([O-])c1c(I)cc(I)cc1S(=O)(=O)Cl 2060016132 RCCZPMJDBZOZTM-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2301663635 BZHFBGLRIRTCFA-IBGZPJMESA-N 486.525 2.756 70 10 JFIE CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(S(=O)(=O)F)cc3Cl)c2)CC1 1538781851 ZKRXWEYWUGRIBE-UHFFFAOYSA-N 453.923 2.915 70 10 JFIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 217898124 XMGWMMOWWZUDLA-XLIONFOSSA-N 463.527 2.772 70 10 JFIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 1901486786 ZCKOHOGATOGMLE-BTYIYWSLSA-N 475.542 2.709 70 10 JFIE NC(=O)NC(=O)C(I)=P(c1ccccc1)(c1ccccc1)c1ccccc1 205787407 NKJXGHYIKACKIS-UHFFFAOYSA-N 488.265 2.740 70 10 JFIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)c(C)c1S(=O)(=O)F 1887521156 VCUAKVSGHQMDFQ-UHFFFAOYSA-N 484.543 2.607 70 10 JFIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NC2CCN(S(=O)(=O)F)CC2)C1 2181138956 HWXBRQTYTBJWKY-HSZRJFAPSA-N 499.605 2.625 70 10 JFIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccccc1Br 217995959 BXADDZRVEIXNAB-WFASDCNBSA-N 458.305 2.972 70 10 JFIE COc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)CC2)cc1OC 216855913 CGFYWBBJFVIBMG-UHFFFAOYSA-N 479.533 2.697 70 10 JFIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CN(S(=O)(=O)F)C1 1901484816 CQCIZPMFAKEAIJ-OAQYLSRUSA-N 475.542 2.566 70 10 JFIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CN(S(=O)(=O)F)C1 2243721255 BOGXTLQFYWQYLY-OAQYLSRUSA-N 475.542 2.564 70 10 JFIE CN1CCO[C@@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1 215851984 NIBGIJFVJXESLZ-MRVPVSSYSA-N 463.575 2.849 70 10 JFIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 1968227053 KIZMXDVLAHPSIC-CGTJXYLNSA-N 458.552 2.775 70 10 JFIE COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(CNC(=O)C(F)(F)F)cc3)cc2C1=O 216791532 JAOORSDXQZZPQI-UHFFFAOYSA-N 463.412 2.750 70 10 JFIE CC(=O)N(C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)c1cccc(N)c1 217306586 LFTXXKRTGANAFB-UHFFFAOYSA-N 459.300 2.780 70 10 JFIE O=[N+]([O-])c1c(OS(=O)(=O)C(F)(F)F)nc2ccccc2c1OS(=O)(=O)C(F)(F)F 59048628 OWEHRXYFJFBXPQ-UHFFFAOYSA-N 470.281 2.600 70 10 JFIE COc1ccc(OCCNC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306651 SSORFAWSOKMXKN-UHFFFAOYSA-N 476.327 2.822 70 10 JFIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 216701091 GLDFCYLOTCLQPR-FQEVSTJZSA-N 467.522 2.507 70 10 JFIE O=C(NCCC(=O)N1CCCC1)c1cc(Br)ccc1I 218047485 SKQYLALQHWODFX-UHFFFAOYSA-N 451.102 2.796 70 10 JFIE CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)CC1 1435925794 UEWRPYMBAJWXBA-UHFFFAOYSA-N 453.923 2.915 70 10 JFIE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CCN(Cc2ccccc2)C1 2124717151 IXTRCKJMFUUXGG-JOCHJYFZSA-N 478.546 2.848 70 10 JFIE Cn1cc(S(=O)(=O)F)c(=NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)[nH]1 2248870118 BAUNTRGSOPAPEC-UHFFFAOYSA-N 486.525 2.756 70 10 JFIE CCOC(=O)c1nc(SCc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1 217422759 NEDWTPAMYPZKIB-UHFFFAOYSA-N 454.430 2.515 70 10 JFIE O=[N+]([O-])c1cc(I)c(I)c(S(=O)(=O)Cl)c1 2060017435 WFQMYAPQGXGFTG-UHFFFAOYSA-N 473.413 2.732 70 10 JFIE