smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C 218424814 CTZBPZGIBNWVDD-OZXSUGGESA-N 448.588 5.552 70 40 IKIB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl 218718595 IJARHVGQFFPDCK-AWEZNQCLSA-N 434.323 5.086 70 40 IKIB Cn1nc(CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C2CCCC2)c2c1CCC2 217909651 QPPRQVMCMZUPTO-UHFFFAOYSA-N 426.004 5.345 70 40 IKIB CCCOc1ccccc1CCCNC(=O)CSCc1c(Cl)cccc1Cl 218154836 OUQOUVMUSQDVCX-UHFFFAOYSA-N 426.409 5.764 70 40 IKIB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1C 218603113 CKMBDHMUOFVLER-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB COc1cccc(-c2noc(CNC(=O)c3ccc(CSc4ccc(C)cc4)cc3)n2)c1 218211497 WIEVLOOADVGBLR-UHFFFAOYSA-N 445.544 5.276 70 40 IKIB O=S(=O)(F)c1ccc2nc(-c3cccc(Sc4ccccc4)c3)cc(Cl)c2c1 17465958 BOVBXGCHGDBHRO-UHFFFAOYSA-N 429.925 6.365 70 40 IKIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Br)cc1 218197738 SUPKYXISOPWZAC-SFHVURJKSA-N 434.399 5.409 70 40 IKIB CC(=O)C(/N=N/c1ccccc1)=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1 101403057 RUXOIUWJFCXOJD-OCEACIFDSA-N 443.576 5.710 70 40 IKIB CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C 218424728 CTZBPZGIBNWVDD-BVAGGSTKSA-N 448.588 5.552 70 40 IKIB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)c1ccccc1 218153987 LQLWWBFEAWERMB-UHFFFAOYSA-N 430.356 6.096 70 40 IKIB CC(C)Oc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 218422028 BVLGXNBQZGZCMT-DEOSSOPVSA-N 436.533 5.093 70 40 IKIB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217802307 BCNINVZLGVLCSR-AWEZNQCLSA-N 448.420 5.381 70 40 IKIB CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Br)cc2)c1 218196190 BDCZKQZTDCMGDL-UHFFFAOYSA-N 436.415 5.219 70 40 IKIB O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 101508733 YVCMFFRDWGRTAA-UHFFFAOYSA-N 430.487 5.819 70 40 IKIB Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl 218718678 IJARHVGQFFPDCK-CQSZACIVSA-N 434.323 5.086 70 40 IKIB O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217795205 AYWHCKFQPTYOKR-PCUGXKRQSA-N 425.891 5.024 70 40 IKIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccccc3OC(F)(F)F)C2)n1 217832059 COYYWJQXTXKUEH-INIZCTEOSA-N 445.441 5.039 70 40 IKIB COc1ccc(CSCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 218111084 YSYLTIMPTXGHGR-UHFFFAOYSA-N 430.422 5.285 70 40 IKIB CC(C)Oc1cccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 218004552 IABQTQHBMQTVOE-UHFFFAOYSA-N 425.981 6.350 70 40 IKIB CC(C)n1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c2ccccc21 217946501 HRHOVZHGSNEKQV-XMQYJYNESA-N 431.624 5.186 70 40 IKIB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C 218526731 RYZZNDBOPTWMMH-NRFANRHFSA-N 449.016 5.013 70 40 IKIB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 218592861 SNOOAYWKGISGRS-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C 218592960 WRSXRTRDROFPBH-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)c(C)c1 218584937 ZOWBKVPRUXBCPV-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21 217402033 JCMRXPLXUHWJKN-CNXCYTMISA-N 436.599 6.622 70 40 IKIB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)c(C)c1 218409164 JSMCRKKKMVIZIH-DEOSSOPVSA-N 436.577 5.294 70 40 IKIB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218490590 ZKGNCHBVWFCLDQ-CQSZACIVSA-N 443.396 5.218 70 40 IKIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 217631697 YMBOXNRSLXOJBC-HXUWFJFHSA-N 435.446 5.133 70 40 IKIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccccc3OC(F)(F)F)C2)n1 217832098 COYYWJQXTXKUEH-MRXNPFEDSA-N 445.441 5.039 70 40 IKIB CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C 218424892 CTZBPZGIBNWVDD-ZEQKJWHPSA-N 448.588 5.552 70 40 IKIB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CSc2ccccc2)cc1 218003011 KJFAYGSUMXQAOD-UHFFFAOYSA-N 435.936 5.612 70 40 IKIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1SCc1ccccc1 218609846 HUNCYOWNLQYYDI-UHFFFAOYSA-N 435.574 5.753 70 40 IKIB CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Br)cc1 218196918 RWSTZMUPMZGXDD-UHFFFAOYSA-N 436.415 5.220 70 40 IKIB CC(C)c1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1 218224557 CZUNGCDFMXZLDT-UHFFFAOYSA-N 442.625 5.234 70 40 IKIB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C 218424165 UIUVYVMVKWOEPY-IQGLISFBSA-N 434.561 5.162 70 40 IKIB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 218312988 LJLPVLTWHWOXRB-UHFFFAOYSA-N 449.359 5.212 70 40 IKIB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)c(C)c1 218518905 AJVAYUIMQKOFJP-QHCPKHFHSA-N 442.625 5.058 70 40 IKIB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 218516677 IXSHVSDPRXJYBU-UHFFFAOYSA-N 441.380 5.119 70 40 IKIB Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1 217910040 WGRSYLDDQMHWEC-UHFFFAOYSA-N 438.959 5.111 70 40 IKIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 218092801 DJEMFCFYBQFVBY-CCLHPLFOSA-N 444.600 5.569 70 40 IKIB CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 218608990 FEPSULXZDJCVIK-JOCHJYFZSA-N 439.602 5.264 70 40 IKIB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)c(C)c1 218602949 BKIOIMHNYCWAHV-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB CC(=O)C(/N=N/c1ccccc1)=P(/C=C/c1ccccc1)(c1ccccc1)c1ccccc1 101403058 GFKSXBLYTPZRMF-ZHDSTUBUSA-N 448.506 6.829 70 40 IKIB COc1cc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)ccc1OC(C)C 218207042 PDDYZMZOQKYFFR-UHFFFAOYSA-N 435.589 6.013 70 40 IKIB O=C(N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)C1(c2cccs2)CCCC1 217799279 UJZQPNLACYSGSL-KRWDZBQOSA-N 439.556 5.230 70 40 IKIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 218422482 WTHTUDXXRXBUNP-BVZFJXPGSA-N 434.561 5.162 70 40 IKIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 217828067 GUOFRNHXXKXTJG-INIZCTEOSA-N 429.442 5.159 70 40 IKIB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 218005499 NOKMBWKNEPSJAD-QGZVFWFLSA-N 441.980 5.838 70 40 IKIB CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)c(C)c1 218348568 OWPQXAJLZMMUSZ-QHCPKHFHSA-N 436.577 5.010 70 40 IKIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 217631787 YMBOXNRSLXOJBC-FQEVSTJZSA-N 435.446 5.133 70 40 IKIB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)c1 218003428 MMEQFEXZAIWTAZ-UHFFFAOYSA-N 445.544 5.310 70 40 IKIB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 218005887 FVXUJKRNEQWFPK-UHFFFAOYSA-N 437.992 7.206 70 40 IKIB CCCCCCCC[Si](C)(CCCCCCCC)CC[Si](Cl)(Cl)Cl 207103084 QVSCTHUCDLBWMM-UHFFFAOYSA-N 432.068 9.441 70 40 IKIB CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)c(OC)c1 218211023 YDTQPEJJHQIZMF-QHCPKHFHSA-N 435.589 6.186 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2C)cc1 218604020 FBCGVAGLHMIGMD-HXUWFJFHSA-N 436.577 5.212 70 40 IKIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 218006418 MLJZYWAYBIZWLY-SFHVURJKSA-N 425.981 6.138 70 40 IKIB CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C 218415515 XTCXUDRZLJPGDN-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(CSc2ccccc2)cc1 218002892 QTKIDEKLSJFMJM-UHFFFAOYSA-N 435.936 5.612 70 40 IKIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)c(C)c1 218631343 GKYAVPXILWQWAK-DEOSSOPVSA-N 442.625 5.058 70 40 IKIB CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 218424537 KXPHBMPILXBZEC-ZEQKJWHPSA-N 448.588 5.552 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(Cl)cccc1Cl 218155963 DMAOFIFCYKAUMS-GOSISDBHSA-N 440.392 5.654 70 40 IKIB CC(C)c1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 218007371 SLXQLPRAGVXFDR-UHFFFAOYSA-N 438.036 7.118 70 40 IKIB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218490669 ZKGNCHBVWFCLDQ-AWEZNQCLSA-N 443.396 5.218 70 40 IKIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(Cl)cccc1Cl 218157784 DTFXZYRLTAHZLI-UHFFFAOYSA-N 442.393 5.387 70 40 IKIB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1C 218409348 DWCBVDOIOXOZJV-DEOSSOPVSA-N 436.577 5.294 70 40 IKIB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl 218718408 XKYANGUUXGVTOP-AWEZNQCLSA-N 434.323 5.086 70 40 IKIB COc1cc(CNC(=O)CSCc2c(Cl)cccc2Cl)ccc1OC(C)C 218152953 JUYVGFLKTGJOLY-UHFFFAOYSA-N 428.381 5.339 70 40 IKIB O=C(NCCSCc1ccc(Cl)cc1Cl)/C(=C/c1ccco1)c1ccccc1 218098770 GUIVCJGDNFSEAQ-XSFVSMFZSA-N 432.372 6.177 70 40 IKIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 218006530 PKAMOABIUNEFJY-GOSISDBHSA-N 425.981 6.138 70 40 IKIB O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(F)(F)F 100040770 VTKYEKOXEMBETI-UHFFFAOYSA-N 430.444 5.889 70 40 IKIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(-c2ccccc2)cc1 218167225 KLKIVURMYUXADG-UHFFFAOYSA-N 448.320 5.438 70 40 IKIB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C 218593029 WRSXRTRDROFPBH-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 218004959 QGJYJCDWWDDAGK-UHFFFAOYSA-N 430.400 6.648 70 40 IKIB COc1ccc(S(OS(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccccc2)cc1 100044372 RXDHZQBHDPDICO-UHFFFAOYSA-N 442.480 5.758 70 40 IKIB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OC 218011731 JCZPLFLIFPXBHZ-UHFFFAOYSA-N 435.543 5.494 70 40 IKIB COc1cc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc(OC)c1OC 218208715 IMKGEDIHSIXMSS-UHFFFAOYSA-N 437.561 5.243 70 40 IKIB O=C(N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)C1(c2cccs2)CCCC1 217799355 UJZQPNLACYSGSL-QGZVFWFLSA-N 439.556 5.230 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)c2C)cc1 218585445 CJKNIAMMEHPXBN-FQEVSTJZSA-N 436.577 5.212 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)NCCCN3CCCc4ccccc43)cc2)cc1 218212460 JYQTWGPGJVEULY-UHFFFAOYSA-N 430.617 5.860 70 40 IKIB C[C@H](CC[Si](F)(CC[C@@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C 195754379 DOVZSAPEEYIGFE-SMIHKQSGSA-N 428.837 10.289 70 40 IKIB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1 218526539 MSEWGVJOXGIESN-NRFANRHFSA-N 449.016 5.013 70 40 IKIB COc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 218005168 KIIPGXYELOXAAU-UHFFFAOYSA-N 425.981 6.004 70 40 IKIB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CSc2ccc(Cl)cc2)cc1 218007248 CHITVULTAFQSCW-UHFFFAOYSA-N 435.936 5.612 70 40 IKIB CC(C)Oc1cccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 218154091 AIAAYLBJXAJDEC-UHFFFAOYSA-N 426.409 5.763 70 40 IKIB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1C 218585147 COEKIANPCNTHEV-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)cc1 218212679 DWIFSDUVLLGCDW-UHFFFAOYSA-N 446.616 6.013 70 40 IKIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 218422561 WTHTUDXXRXBUNP-IQGLISFBSA-N 434.561 5.162 70 40 IKIB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 218592811 SNOOAYWKGISGRS-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C 218348761 QTAXYXRDEDNKER-QHCPKHFHSA-N 436.577 5.010 70 40 IKIB CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)c(C)c1 218348490 OWPQXAJLZMMUSZ-HSZRJFAPSA-N 436.577 5.010 70 40 IKIB O=C(NCCSCc1c(Cl)cccc1Cl)/C(=C/c1ccco1)c1ccccc1 218099774 DTVAZLAQNPJLPB-NBVRZTHBSA-N 432.372 6.177 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)cc2)cc1 218209693 ONIWYJYCZKSGGA-XMMPIXPASA-N 431.601 6.628 70 40 IKIB CC(C)Oc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 218154183 WKTBORDQEQKGBE-UHFFFAOYSA-N 426.409 5.763 70 40 IKIB CCCCOc1ccc(NC(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)cc1 217833792 IOXYCULBASENEV-FQEVSTJZSA-N 448.567 5.711 70 40 IKIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 218006338 MLJZYWAYBIZWLY-GOSISDBHSA-N 425.981 6.138 70 40 IKIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccccc2Cl)cc1 218225037 RJGVJJCCWBONLX-UHFFFAOYSA-N 449.016 5.073 70 40 IKIB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(-c2ccccc2)cc1 218166803 IFABALHYXOKRMR-UHFFFAOYSA-N 434.293 5.096 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3cc(C)ccc3C)ccc2C)cc1 218593365 LMEVYKYTAQYLLR-FQEVSTJZSA-N 436.577 5.212 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CSc2ccccc2)cc1 218001239 ODENZKPEQDCDQF-HSZRJFAPSA-N 433.573 6.020 70 40 IKIB c1ccc(C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 68571780 LBVBWNIYTSGDNG-UHFFFAOYSA-N 428.515 6.250 70 40 IKIB biogenic C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 218671784 WUWYYXUCQWYYAE-OAHLLOKOSA-N 427.932 5.113 70 40 IKIB CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 218415232 DEDZPRDCTDQFBO-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4cccs4)no3)cc2)cc1 218212122 CAILTFHYRAOJKF-UHFFFAOYSA-N 435.574 5.671 70 40 IKIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)c(C)c1 218636535 IBCRSBFTUPVCRS-JOCHJYFZSA-N 449.016 5.013 70 40 IKIB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 218637405 LUMKYKPVGZHLAG-GOSISDBHSA-N 449.016 5.013 70 40 IKIB O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(F)(F)F 100040767 AWGHPZWIZXFAFM-UHFFFAOYSA-N 446.899 6.403 70 40 IKIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 218006614 PKAMOABIUNEFJY-SFHVURJKSA-N 425.981 6.138 70 40 IKIB O=C(c1ccccc1SC(F)F)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217800632 BTSKWVOFOVZPNI-AWEZNQCLSA-N 447.482 5.285 70 40 IKIB CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 218002124 IIZQTUJAOKFWJT-HSZRJFAPSA-N 439.602 5.264 70 40 IKIB O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2sc(N3CCCCC3)nc2c1 217462336 XNBPUYBJVNGDHQ-UHFFFAOYSA-N 437.348 5.578 70 40 IKIB O=C(c1ccccc1SC(F)F)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217800707 BTSKWVOFOVZPNI-CQSZACIVSA-N 447.482 5.285 70 40 IKIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CSc3ccc(C)cc3)cc1)CC(C)(C)O2 218210088 PQDLTAYKEBDGRX-DEOSSOPVSA-N 447.600 6.328 70 40 IKIB CC1(C)C[C@@H](NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2O1 218006013 BBHFAUGRATZHRY-JOCHJYFZSA-N 437.992 6.665 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)NCCCc3ccc(OC(C)C)cc3)cc2)cc1 218208418 OPRAEOVMRKJYGG-UHFFFAOYSA-N 433.617 6.437 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2)cc1 218211809 FAOJSWPHGKQYOA-UHFFFAOYSA-N 429.545 5.610 70 40 IKIB CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1 218196269 ZNNWQNGQQIYGMY-UHFFFAOYSA-N 436.415 5.219 70 40 IKIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 218001037 BXVOOHIRDYEMKQ-HSZRJFAPSA-N 433.573 6.020 70 40 IKIB Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C 218424092 UIUVYVMVKWOEPY-BVZFJXPGSA-N 434.561 5.162 70 40 IKIB CCCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 218209111 ZTEFXGODTPIWDC-UHFFFAOYSA-N 433.617 6.439 70 40 IKIB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1Cl 218527068 YXENHWPZLSBCDF-UHFFFAOYSA-N 441.380 5.119 70 40 IKIB Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C 218093535 UQONQBYFEIOAJE-DCFHFQCYSA-N 444.600 5.569 70 40 IKIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1C 218637561 BCTPINBESLMVEU-GOSISDBHSA-N 449.016 5.013 70 40 IKIB O=C(CSCc1ccc(Br)cc1)Nc1ccccc1C(=O)c1ccccc1 218196088 HJBRQLLMWSCXNN-UHFFFAOYSA-N 440.362 5.552 70 40 IKIB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1 218526453 MSEWGVJOXGIESN-OAQYLSRUSA-N 449.016 5.013 70 40 IKIB O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 218157252 GVUYXFCDZYSGSN-UHFFFAOYSA-N 442.755 5.246 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 218210350 GZPJVWKMZCDEIW-XMMPIXPASA-N 447.600 6.328 70 40 IKIB Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C 218424256 UIUVYVMVKWOEPY-AVRWGWEMSA-N 434.561 5.162 70 40 IKIB CCCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 218005540 BMBDSPWXENILDH-UHFFFAOYSA-N 433.571 6.266 70 40 IKIB CC1(C)C[C@H](NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2O1 218006101 BBHFAUGRATZHRY-QFIPXVFZSA-N 437.992 6.665 70 40 IKIB CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1C 218653440 RATGPYWXUDELSW-NRFANRHFSA-N 436.577 5.013 70 40 IKIB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217802380 BCNINVZLGVLCSR-CQSZACIVSA-N 448.420 5.381 70 40 IKIB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)c(C)c1 218409093 JSMCRKKKMVIZIH-XMMPIXPASA-N 436.577 5.294 70 40 IKIB CCOc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1OCC 218152854 YJRWJLKSXRZYTF-UHFFFAOYSA-N 428.381 5.340 70 40 IKIB CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 218516549 QUABPNNEGSJMEJ-UHFFFAOYSA-N 428.598 5.155 70 40 IKIB CS/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N\c1ccccc1 104204355 LVNKNKYPSQPJBU-DQSJHHFOSA-N 425.537 5.876 70 40 IKIB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1 218304533 CKPPBFWQWHNDGT-DEOSSOPVSA-N 436.577 5.010 70 40 IKIB Cc1c(Cl)cccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 218224850 HQFMIDKPAOOJMZ-UHFFFAOYSA-N 449.016 5.073 70 40 IKIB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 218526847 BXFJGIGLICJKSA-UHFFFAOYSA-N 441.380 5.119 70 40 IKIB CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C 218415423 XTCXUDRZLJPGDN-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)cc1 218208201 WHDRPGKTEKQPRJ-UHFFFAOYSA-N 437.564 6.771 70 40 IKIB O=C(NCCCc1ccccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 218004852 VZALGQFBXDYLOK-UHFFFAOYSA-N 430.400 6.648 70 40 IKIB CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 218490863 QWOJTHHFGVBUHF-AWEZNQCLSA-N 443.396 5.129 70 40 IKIB CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 218527340 HGKIEUYEEDTJCB-UHFFFAOYSA-N 449.016 5.500 70 40 IKIB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)c(C)c1 218518813 AJVAYUIMQKOFJP-HSZRJFAPSA-N 442.625 5.058 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CSc2ccccc2)cc1 218001162 ODENZKPEQDCDQF-QHCPKHFHSA-N 433.573 6.020 70 40 IKIB CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 218002216 IIZQTUJAOKFWJT-QHCPKHFHSA-N 439.602 5.264 70 40 IKIB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)c(C)c1 218602872 BKIOIMHNYCWAHV-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB C[C@H](CC[Si](F)(CC[C@@H](C)CC(C)(C)C)CC[C@@H](C)CC(C)(C)C)CC(C)(C)C 195754384 DOVZSAPEEYIGFE-WXFUMESZSA-N 428.837 10.289 70 40 IKIB Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Br)cc1)CC(C)(C)O2 218197624 VXBZPIAYADNLOT-GOSISDBHSA-N 434.399 5.409 70 40 IKIB ClC1=C(Cl)[C@]2(Cl)[C@H]([Si](Cl)(Cl)Cl)C[C@@]1(Cl)C2(Cl)Cl 195766746 DPLYFAVJGFFOBB-LOHQWYEISA-N 434.264 6.248 70 40 IKIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CSc2ccccc2)cc1 218003762 IPPUNUSIUJZOLN-UHFFFAOYSA-N 435.574 5.753 70 40 IKIB CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(OC)c1 218156572 SKIBMMSFAUOLLQ-QGZVFWFLSA-N 428.381 5.511 70 40 IKIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 217828138 GUOFRNHXXKXTJG-MRXNPFEDSA-N 429.442 5.159 70 40 IKIB CCCCCCCCCCCCCCCCCCS(=O)(=O)CCS(=O)(=O)F 102138203 QLCPGPWJQMTGJQ-UHFFFAOYSA-N 428.676 5.962 70 40 IKIB O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2Cl)no1 218157147 AUKPZUJIWRQLFL-UHFFFAOYSA-N 442.755 5.246 70 40 IKIB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)c(C)c1 218584978 ZOWBKVPRUXBCPV-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)c1 218609509 LCTZWTJWYMAPOT-UHFFFAOYSA-N 429.545 5.610 70 40 IKIB CC(C)Oc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 218422093 BVLGXNBQZGZCMT-XMMPIXPASA-N 436.533 5.093 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)cc2)cc1 218209877 WBZLVXMMYJKONE-XMMPIXPASA-N 431.601 6.628 70 40 IKIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)c(C)c1 218636604 IBCRSBFTUPVCRS-QFIPXVFZSA-N 449.016 5.013 70 40 IKIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1c(F)cccc1Cl 218205803 PJSSNWYMOHCVLS-UHFFFAOYSA-N 440.327 5.074 70 40 IKIB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1SCc1ccccc1 218609288 IFVFVUZUGIVEFX-UHFFFAOYSA-N 435.936 5.612 70 40 IKIB O=S(=O)(F)c1ccc(C2=NN(c3cccc4ccccc34)[C@@H](c3ccccc3)C2)cc1 33354503 GXPPIZXHTPELOY-RUZDIDTESA-N 430.504 5.854 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)cc2)cc1 218209979 WBZLVXMMYJKONE-DEOSSOPVSA-N 431.601 6.628 70 40 IKIB Cc1ccc(S(=O)(=O)C(N=C=NC2C3CC4CC(C3)CC2C4)=C(Cl)Cl)cc1 32617746 AQHHMKCWVXNUKB-UHFFFAOYSA-N 425.381 5.372 70 40 IKIB Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 218388335 UYCJFUDMSNREMS-UHFFFAOYSA-N 449.016 5.073 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)cc2)cc1 218211999 DWWFPXCMGJMNPW-UHFFFAOYSA-N 443.572 5.918 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1SCc1ccccc1 218608058 VKMYDQSKTRQVSP-QFIPXVFZSA-N 433.573 6.020 70 40 IKIB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 218637482 LUMKYKPVGZHLAG-SFHVURJKSA-N 449.016 5.013 70 40 IKIB CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 218424376 KXPHBMPILXBZEC-BVAGGSTKSA-N 448.588 5.552 70 40 IKIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 218671599 WUESBUVXOWKVLW-OAHLLOKOSA-N 427.932 5.113 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)c2C)cc1 218585932 CCAXGJYTQSHMEQ-FQEVSTJZSA-N 436.577 5.212 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4cccc(C)c4)no3)cc2)cc1 218211246 HCQSLEGQASMSLF-UHFFFAOYSA-N 429.545 5.576 70 40 IKIB CC[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1C 218653364 RATGPYWXUDELSW-OAQYLSRUSA-N 436.577 5.013 70 40 IKIB O=S(=O)(Cl)c1nc(-c2ccc(Br)cc2)oc1-c1ccc(Cl)cc1 105970330 YSXUAPNKYRBKDY-UHFFFAOYSA-N 433.110 5.352 70 40 IKIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)cc1C 218636701 CUOVOOHBSPGNDA-JOCHJYFZSA-N 449.016 5.013 70 40 IKIB CS/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N/c1ccccc1 104204358 LVNKNKYPSQPJBU-BYYHNAKLSA-N 425.537 5.876 70 40 IKIB COc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2 218155706 XSGFQYVWUQQDOG-SFHVURJKSA-N 440.392 5.654 70 40 IKIB CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(OC)c1 218156641 SKIBMMSFAUOLLQ-KRWDZBQOSA-N 428.381 5.511 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4ccc(C)cc4)no3)cc2)cc1 218211382 FALYXMIYYYDRBY-UHFFFAOYSA-N 429.545 5.576 70 40 IKIB Cc1cc(OCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c2cccc(C)c2n1 217430619 CRKIGJAFKJENML-UHFFFAOYSA-N 447.604 5.793 70 40 IKIB CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 218424619 KXPHBMPILXBZEC-JYFHCDHNSA-N 448.588 5.552 70 40 IKIB ClC1=C(Cl)[C@]2(Cl)[C@@H]([Si](Cl)(Cl)Cl)C[C@@]1(Cl)C2(Cl)Cl 195766744 DPLYFAVJGFFOBB-QOCXUPEVSA-N 434.264 6.248 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2C)cc1 218603509 XFHDIPBHEDWIIH-HXUWFJFHSA-N 436.577 5.212 70 40 IKIB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)c(C)c1 218576329 LNJZNBGCVHWWGJ-DEOSSOPVSA-N 436.577 5.294 70 40 IKIB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 217028908 MOSVJBAYHRSTMR-QFIPXVFZSA-N 433.017 5.000 70 40 IKIB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C 218526648 RYZZNDBOPTWMMH-OAQYLSRUSA-N 449.016 5.013 70 40 IKIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1c(F)cccc1Cl 218205914 NWDBGNSUZJRNKW-UHFFFAOYSA-N 440.327 5.074 70 40 IKIB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217506145 RMGAZJVCFXDHHN-JOCHJYFZSA-N 426.925 5.156 70 40 IKIB CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1C 218424967 CTZBPZGIBNWVDD-JYFHCDHNSA-N 448.588 5.552 70 40 IKIB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C 218304605 CAKQKGRCLDKJSH-XMMPIXPASA-N 436.577 5.010 70 40 IKIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 218671869 WUWYYXUCQWYYAE-HNNXBMFYSA-N 427.932 5.113 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2C)cc1 218603435 XFHDIPBHEDWIIH-FQEVSTJZSA-N 436.577 5.212 70 40 IKIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 218671678 WUESBUVXOWKVLW-HNNXBMFYSA-N 427.932 5.113 70 40 IKIB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)c1 218003234 YWMYICXRWNEYOK-UHFFFAOYSA-N 429.545 5.610 70 40 IKIB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1C 218603038 CKMBDHMUOFVLER-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 218078880 CZEUZHQWBFENOK-UHFFFAOYSA-N 426.604 5.731 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)cc2)cc1 218211910 FTXRHALOVAZTFI-UHFFFAOYSA-N 443.572 5.918 70 40 IKIB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 218411161 LVVMAXXEEUFNRD-UHFFFAOYSA-N 436.533 5.061 70 40 IKIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 218092579 DJEMFCFYBQFVBY-HRFSGMKKSA-N 444.600 5.569 70 40 IKIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CSc3ccc(C)cc3)cc1)CC(C)(C)O2 218210172 PQDLTAYKEBDGRX-XMMPIXPASA-N 447.600 6.328 70 40 IKIB C[C@@H](CC[Si](F)(CC[C@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C 256167774 DOVZSAPEEYIGFE-HJOGWXRNSA-N 428.837 10.289 70 40 IKIB COc1ccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC 218209217 YOMLWAXWRXQMKA-UHFFFAOYSA-N 435.589 5.667 70 40 IKIB CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 218415316 DEDZPRDCTDQFBO-QHCPKHFHSA-N 436.577 5.294 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)NCCCc3cccc(OC(C)C)c3)cc2)cc1 218208311 MNDGQGHBWBMFLK-UHFFFAOYSA-N 433.617 6.437 70 40 IKIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)cc1C 218631504 HXXXGXRUXAWHNS-DEOSSOPVSA-N 442.625 5.058 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)ccc2C)cc1 218593836 ATKGHHXTVFLBIZ-FQEVSTJZSA-N 436.577 5.212 70 40 IKIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 218527840 UDQGZKBIQXMIEH-SFHVURJKSA-N 449.016 5.013 70 40 IKIB COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)c1 218609618 LDNORRIGAYHTLA-UHFFFAOYSA-N 445.544 5.310 70 40 IKIB CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)c(C)c1 218424453 KXPHBMPILXBZEC-OZXSUGGESA-N 448.588 5.552 70 40 IKIB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1C 218576412 VPCSMWAULRHNOM-XMMPIXPASA-N 436.577 5.294 70 40 IKIB CC(C)(C)c1ccc(CCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 218543171 OHTDHVCKEGGCMK-UHFFFAOYSA-N 442.357 5.046 70 40 IKIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)cc1C 218631425 HXXXGXRUXAWHNS-XMMPIXPASA-N 442.625 5.058 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)ccc2C)cc1 218593902 ATKGHHXTVFLBIZ-HXUWFJFHSA-N 436.577 5.212 70 40 IKIB CN1CCC(Oc2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)CC1 216930940 YXNVVEURHGWWQB-UHFFFAOYSA-N 439.408 5.338 70 40 IKIB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C 218304630 CAKQKGRCLDKJSH-DEOSSOPVSA-N 436.577 5.010 70 40 IKIB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3c(Cl)cccc3Cl)n2)cc1 218157576 UUUHNTAMFGGAPJ-UHFFFAOYSA-N 436.364 5.244 70 40 IKIB C[Si](C)(C)O[Si](Cl)(OC(c1ccccc1)c1ccccc1)O[Si](C)(C)C 200073418 MXYRUZAVJVIZOX-UHFFFAOYSA-N 425.149 6.170 70 40 IKIB CCOc1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OCC 218206941 CMLUXXCMGMFBQB-UHFFFAOYSA-N 435.589 6.015 70 40 IKIB CC[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)c(C)c1 218653178 XXNUCQFTXPLFOQ-OAQYLSRUSA-N 436.577 5.013 70 40 IKIB CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C 218348689 QTAXYXRDEDNKER-HSZRJFAPSA-N 436.577 5.010 70 40 IKIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 100041643 FXVFNQGTIWSDPI-UHFFFAOYSA-N 433.254 5.682 70 40 IKIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 218000946 BXVOOHIRDYEMKQ-QHCPKHFHSA-N 433.573 6.020 70 40 IKIB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1 218304478 CKPPBFWQWHNDGT-XMMPIXPASA-N 436.577 5.010 70 40 IKIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 218422392 WTHTUDXXRXBUNP-CJAUYULYSA-N 434.561 5.162 70 40 IKIB CC(C)n1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc21 217946425 HRHOVZHGSNEKQV-JWVZEJEHSA-N 431.624 5.186 70 40 IKIB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 218526917 YGCRZRFKZXIQAO-UHFFFAOYSA-N 441.380 5.119 70 40 IKIB COc1ccc2c(c1)[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2 218155782 XSGFQYVWUQQDOG-GOSISDBHSA-N 440.392 5.654 70 40 IKIB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1C 218528006 VRICXJSLERPTFS-SFHVURJKSA-N 449.016 5.013 70 40 IKIB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 218003332 PUQXFSRBMYQWHZ-UHFFFAOYSA-N 429.545 5.610 70 40 IKIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 218092649 DJEMFCFYBQFVBY-DCFHFQCYSA-N 444.600 5.569 70 40 IKIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 218092727 DJEMFCFYBQFVBY-NFQMXDRXSA-N 444.600 5.569 70 40 IKIB C[C@H](CC[Si](F)(CC[C@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C 195754387 DOVZSAPEEYIGFE-KMDXXIMOSA-N 428.837 10.289 70 40 IKIB COc1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 218005383 LPMTUAXHGDMAIU-UHFFFAOYSA-N 425.981 6.004 70 40 IKIB CN1CCC(Oc2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)CC1 218610291 BGGPNWOIUCSTKB-UHFFFAOYSA-N 432.589 5.704 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2C)cc1 218603929 FBCGVAGLHMIGMD-FQEVSTJZSA-N 436.577 5.212 70 40 IKIB COc1ccc(-c2noc(CNC(=O)c3ccc(CSc4ccc(C)cc4)cc3)n2)cc1 218211594 NORWZVNQMLMIOW-UHFFFAOYSA-N 445.544 5.276 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1SCc1ccccc1 218608129 VKMYDQSKTRQVSP-JOCHJYFZSA-N 433.573 6.020 70 40 IKIB CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)c(C)c1 218653255 XXNUCQFTXPLFOQ-NRFANRHFSA-N 436.577 5.013 70 40 IKIB C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C(=O)N1CCC(C(O)(c4ccccc4)c4ccccc4)CC1)(C3)C2 217397990 WALOZKVZBRZLRW-URMAFPALSA-N 443.631 5.768 70 40 IKIB CC[SiH](Oc1cccc(Oc2ccccc2)c1)Oc1cccc(Oc2ccccc2)c1 408722137 OYJLVGLNHWITJP-UHFFFAOYSA-N 428.560 6.969 70 40 IKIB Cc1ccc(S(=O)(=O)C(N=C=NC23CC4CC(CC(C4)C2)C3)=C(Cl)Cl)cc1 57291965 VBZUUJJRPHIWTO-UHFFFAOYSA-N 425.381 5.516 70 40 IKIB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1C 218519065 NTBLGTJISTYHQX-QHCPKHFHSA-N 442.625 5.058 70 40 IKIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1C 218637638 BCTPINBESLMVEU-SFHVURJKSA-N 449.016 5.013 70 40 IKIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 218422640 WTHTUDXXRXBUNP-AVRWGWEMSA-N 434.561 5.162 70 40 IKIB O=C(NCCSCc1ccc(Cl)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1 218098992 MZLIENPFWQOIIC-XMHGGMMESA-N 432.372 6.177 70 40 IKIB Cc1ccc(S(OS(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccccc2)cc1 100044382 DKMYODGRKXERKJ-UHFFFAOYSA-N 426.481 6.058 70 40 IKIB COc1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c(OC)c1OC 218206827 ZLFJHAUGEKYDEA-UHFFFAOYSA-N 437.561 5.243 70 40 IKIB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc2c(ccc3ccccc32)o1 218501444 YBUGIMRSJMZQQX-UHFFFAOYSA-N 448.276 5.329 70 40 IKIB CCOc1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 218006212 DTAAOGDEJYJAOA-UHFFFAOYSA-N 440.008 6.394 70 40 IKIB Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C 218093702 UQONQBYFEIOAJE-CCLHPLFOSA-N 444.600 5.569 70 40 IKIB COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 217358994 GHEWKASBKJDWAQ-SNAWJCMRSA-N 433.085 5.591 70 40 IKIB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 218100926 PMUNHDQYYOLRJI-WEMUOSSPSA-N 448.566 5.754 70 40 IKIB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1C 218576494 VPCSMWAULRHNOM-DEOSSOPVSA-N 436.577 5.294 70 40 IKIB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1S(=O)(=O)N1CCCCCC1 218516337 FYQGAWYKMFENFU-UHFFFAOYSA-N 428.598 5.244 70 40 IKIB COc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 218005579 NOKMBWKNEPSJAD-KRWDZBQOSA-N 441.980 5.838 70 40 IKIB CC(C)(C)C(=O)C(Br)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100720844 WZZPYHNOGUQZSX-UHFFFAOYSA-N 439.333 5.121 70 40 IKIB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1C 218527927 VRICXJSLERPTFS-GOSISDBHSA-N 449.016 5.013 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)cc1 218212590 PICAETDMPWNKKJ-UHFFFAOYSA-N 431.605 5.291 70 40 IKIB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C 218093469 UQONQBYFEIOAJE-HRFSGMKKSA-N 444.600 5.569 70 40 IKIB Nc1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2 100455744 VCOWJEAWWAMYGS-UHFFFAOYSA-N 441.514 5.812 70 40 IKIB CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)c(OC)c1 218210941 YDTQPEJJHQIZMF-HSZRJFAPSA-N 435.589 6.186 70 40 IKIB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2 218607956 LDELRPGWCYBPPX-JOCHJYFZSA-N 433.573 6.020 70 40 IKIB COc1cccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 218005275 NMTXPFYJCUDAOU-UHFFFAOYSA-N 425.981 6.004 70 40 IKIB CCCCCCCCCCCC[Si](F)(CCCCCCCC)CCCCCCCC 195754389 URDKFCXLELPMGJ-UHFFFAOYSA-N 442.864 11.543 70 40 IKIB CN1CCC(Oc2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 218004223 QBCXMIZDUSMIBV-UHFFFAOYSA-N 432.589 5.704 70 40 IKIB CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 218609064 FEPSULXZDJCVIK-QFIPXVFZSA-N 439.602 5.264 70 40 IKIB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1C 218518985 NTBLGTJISTYHQX-HSZRJFAPSA-N 442.625 5.058 70 40 IKIB Cc1ccc(SCc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)cc2)cc1 218209773 ONIWYJYCZKSGGA-DEOSSOPVSA-N 431.601 6.628 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3cc(C)ccc3C)ccc2C)cc1 218593449 LMEVYKYTAQYLLR-HXUWFJFHSA-N 436.577 5.212 70 40 IKIB CCCCOc1ccc(NC(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)cc1 217833678 IOXYCULBASENEV-HXUWFJFHSA-N 448.567 5.711 70 40 IKIB COc1cc(Br)c(CNc2ccc(Br)c(Cl)c2)cc1OC 218006255 FUSWNNCWYGNVGT-UHFFFAOYSA-N 435.543 5.494 70 40 IKIB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C 218093628 UQONQBYFEIOAJE-NFQMXDRXSA-N 444.600 5.569 70 40 IKIB O=S(=O)(Cl)c1ccc2c(Br)c3ccccc3c(Br)c2c1 72399675 AZFXTUUUGCMHGD-UHFFFAOYSA-N 434.536 5.446 70 40 IKIB in-vitro Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl 218718489 XKYANGUUXGVTOP-CQSZACIVSA-N 434.323 5.086 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(Cl)cccc1Cl 218155894 DMAOFIFCYKAUMS-SFHVURJKSA-N 440.392 5.654 70 40 IKIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Br)cc1 218197816 SUPKYXISOPWZAC-GOSISDBHSA-N 434.399 5.409 70 40 IKIB O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1csc(-c2ccccc2F)n1 217651857 IGMWGGIFGATKOR-UHFFFAOYSA-N 448.475 5.362 70 40 IKIB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C 218424018 UIUVYVMVKWOEPY-CJAUYULYSA-N 434.561 5.162 70 40 IKIB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1C 218409257 DWCBVDOIOXOZJV-XMMPIXPASA-N 436.577 5.294 70 40 IKIB C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cl 195792647 KIYCTEUULXJENF-UHFFFAOYSA-N 425.682 5.039 70 40 IKIB CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl 195765459 ADBSXCRGUFFLBC-UHFFFAOYSA-N 444.047 10.464 70 40 IKIB in-vitro CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1C 218585075 COEKIANPCNTHEV-HSZRJFAPSA-N 436.577 5.294 70 40 IKIB CCCCc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 218490785 QWOJTHHFGVBUHF-CQSZACIVSA-N 443.396 5.129 70 40 IKIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 218210289 GZPJVWKMZCDEIW-DEOSSOPVSA-N 447.600 6.328 70 40 IKIB Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Br)cc1)CC(C)(C)O2 218197538 VXBZPIAYADNLOT-SFHVURJKSA-N 434.399 5.409 70 40 IKIB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)c(C)c1 218576257 LNJZNBGCVHWWGJ-XMMPIXPASA-N 436.577 5.294 70 40 IKIB O=C(/C=C/c1ccccc1Cl)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217795112 AYWHCKFQPTYOKR-LPQFERQCSA-N 425.891 5.024 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2C)cc1 218586007 CCAXGJYTQSHMEQ-HXUWFJFHSA-N 436.577 5.212 70 40 IKIB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 218003539 FDOCGHYAYDNGMI-UHFFFAOYSA-N 445.544 5.310 70 40 IKIB Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 218527005 ZTIWUFMTAYDAEW-UHFFFAOYSA-N 441.380 5.119 70 40 IKIB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 217506062 RMGAZJVCFXDHHN-QFIPXVFZSA-N 426.925 5.156 70 40 IKIB O=S(=O)(F)c1ccc(C2=NN(c3cccc4ccccc34)[C@H](c3ccccc3)C2)cc1 33354506 GXPPIZXHTPELOY-VWLOTQADSA-N 430.504 5.854 70 40 IKIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(C)c(C)c1 218631269 GKYAVPXILWQWAK-XMMPIXPASA-N 442.625 5.058 70 40 IKIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3cc(C)ccc3C)c2C)cc1 218585524 CJKNIAMMEHPXBN-HXUWFJFHSA-N 436.577 5.212 70 40 IKIB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 217028871 MOSVJBAYHRSTMR-JOCHJYFZSA-N 433.017 5.000 70 40 IKIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(C)cc1C 218636783 CUOVOOHBSPGNDA-QFIPXVFZSA-N 449.016 5.013 70 40 IKIB O=C(c1cc2c(ccc3ccccc32)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 218494829 IMAXZRBZYBQUIL-UHFFFAOYSA-N 446.550 6.133 70 40 IKIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 218527768 UDQGZKBIQXMIEH-GOSISDBHSA-N 449.016 5.013 70 40 IKIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2 218607884 LDELRPGWCYBPPX-QFIPXVFZSA-N 433.573 6.020 70 40 IKIB