smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(C)c2oc(CCCc3nc4cc(C)cc(C)c4o3)nc2c1 216741070 JDEIJGBPWXLHMD-UHFFFAOYSA-N 334.419 5.378 70 40 EKIB Cc1ccc(C)c([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)c1 218086262 BOJCIBGZSDFEQM-HNNXBMFYSA-N 347.911 5.316 70 40 EKIB CCCCn1c(C)c(C(=O)OCC)c2cc(O[C@H](C)CCC)ccc21 217763275 DDUDWXITDQHDDJ-OAHLLOKOSA-N 345.483 5.494 70 40 EKIB CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NCCC)c1 218285990 GFHZZJLEYFDCOS-QGZVFWFLSA-N 348.531 5.915 70 40 EKIB CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12 216941567 ITNAYHCYYINILD-UHFFFAOYSA-N 327.383 5.232 70 40 EKIB CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 217272366 UBMKQMPLOHVXCW-LJQANCHMSA-N 342.870 5.492 70 40 EKIB CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)c(C)c1 218732350 LGUXZOYYTIOLKE-OAQYLSRUSA-N 339.479 5.038 70 40 EKIB CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 217272368 UBMKQMPLOHVXCW-IBGZPJMESA-N 342.870 5.492 70 40 EKIB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)c(C)c1 217983107 GHEHIEZTFPHAKY-SFHVURJKSA-N 347.911 5.316 70 40 EKIB CC[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(C)cc1C 218060827 ZXNSIRKLHPLABS-APWZRJJASA-N 327.493 5.052 70 40 EKIB O=[N+]([O-])CCCCCCCCCCC[Si](Cl)(Cl)Cl 627274937 IKPIWSQABRQXJK-UHFFFAOYSA-N 334.747 5.429 70 40 EKIB CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C)c(C)c1 218142041 MGKGPTYNMJQQMQ-PXNSSMCTSA-N 341.520 5.360 70 40 EKIB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1C 218142199 KGGCYZXLJBALLD-XLIONFOSSA-N 341.520 5.360 70 40 EKIB CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 217954213 ITMYAYXNJCEBFD-DAXPHYLKSA-N 349.518 5.882 70 40 EKIB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1C 218031259 RVMXPNVOZHSXNR-HNNXBMFYSA-N 347.911 5.067 70 40 EKIB CC[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(C)cc1C 218060989 ZXNSIRKLHPLABS-LPHOPBHVSA-N 327.493 5.052 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C 218089639 AQGLLYMAKZOXRA-OAHLLOKOSA-N 347.911 5.316 70 40 EKIB CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1 217856300 QVUHYFPEZDZVTO-QGZVFWFLSA-N 336.262 5.491 70 40 EKIB CCCNc1cc([C@@H](C)N(CCC)C(=O)OC(C)(C)C)ccc1C 218285148 HBKGNWOANXOBHM-MRXNPFEDSA-N 334.504 5.525 70 40 EKIB CC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(C)c(C)c1 218060564 LENBSFNTHPRPJH-QFBILLFUSA-N 327.493 5.052 70 40 EKIB CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C)cc1C 217902620 OISLCCYURLIMPR-FMAYLGMYSA-N 327.855 5.238 70 40 EKIB CCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC(C)C)c1 218324705 OKYIYQVXGWPDJN-MRXNPFEDSA-N 334.504 5.523 70 40 EKIB CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 218004826 YTAMTPIZJOPQNB-UHFFFAOYSA-N 340.648 5.113 70 40 EKIB CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C)cc1C 217902689 OISLCCYURLIMPR-RDELFYGPSA-N 327.855 5.238 70 40 EKIB CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C)c(C)c1 218071760 RXFIWVXNKRIWGL-XLIONFOSSA-N 341.520 5.193 70 40 EKIB CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC(C)C)c1 218324878 JLHFYGLUHJHVLX-QGZVFWFLSA-N 348.531 5.914 70 40 EKIB CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C)c(C)c1 218071831 RXFIWVXNKRIWGL-FXAWDEMLSA-N 341.520 5.193 70 40 EKIB CCc1ccc2oc(CCCc3nc4cc(CC)ccc4o3)nc2c1 216741013 ANMJNNGYHJLNGF-UHFFFAOYSA-N 334.419 5.269 70 40 EKIB Cc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C 218038193 QWRDILCNTPKHCB-HNNXBMFYSA-N 347.911 5.067 70 40 EKIB CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(C)c(C)c1 218150204 OBWHDEPEODECKJ-HXUWFJFHSA-N 341.520 5.362 70 40 EKIB Cc1cc(C)c(NC(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 217269707 LNUXFRRJEZXGHP-UHFFFAOYSA-N 344.458 5.523 70 40 EKIB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](Nc1nc(Cl)nc4ccccc14)(C3)C2 217949484 KDJSRQQEECHROQ-FCZGVQRQSA-N 341.886 5.444 70 40 EKIB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccccc2Cl)c1 218027693 WHRUSUGUVSTFSR-HNNXBMFYSA-N 347.911 5.067 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C 218105657 STIGZMDZNUKLPT-GNFOSXPUSA-N 345.442 5.314 70 40 EKIB CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)cc1C 218732554 OBFFZQADYQBNBV-NRFANRHFSA-N 339.479 5.038 70 40 EKIB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1C 218142141 KGGCYZXLJBALLD-YLJYHZDGSA-N 341.520 5.360 70 40 EKIB CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1C 218166237 SIWIZMSEUCMTOZ-QHCPKHFHSA-N 343.470 5.852 70 40 EKIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(CC)cc3)c2)cc1 216730353 AGKFLZHMQDIYMR-QHCPKHFHSA-N 346.474 5.138 70 40 EKIB Cc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1Cl 218097250 ZIIMNNWQVNWNPO-QGOAFFKASA-N 337.806 5.421 70 40 EKIB CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)c(C)c1 217983013 GHEHIEZTFPHAKY-GOSISDBHSA-N 347.911 5.316 70 40 EKIB O=C(NCC1(c2ccsc2)CCCC1)Nc1ccccc1Cl 217486788 FQRQAIGYJAVVDU-UHFFFAOYSA-N 334.872 5.035 70 40 EKIB CC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(C)cc1C 218060912 ZXNSIRKLHPLABS-QFBILLFUSA-N 327.493 5.052 70 40 EKIB CC[C@@H](NC(=O)CCSc1ccccc1)c1ccc(C)cc1C 218083559 BXNCTANOHFEKBX-LJQANCHMSA-N 327.493 5.053 70 40 EKIB CC(=O)OCCCCCCCCCCC[Si](Cl)(Cl)Cl 195789518 GPHCMDOASQYDKS-UHFFFAOYSA-N 347.786 5.716 70 40 EKIB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 217272371 LWHCZMPOYJIPLD-CYBMUJFWSA-N 328.843 5.102 70 40 EKIB CC(C)c1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1 217903854 NLJHXVASMQYYCE-BUHFOSPRSA-N 341.882 5.226 70 40 EKIB Cc1ccc([C@H](C)N(C)Cc2ccccc2)cc1NCc1ccccc1 218320001 RPZWDHLKDCNXRX-FQEVSTJZSA-N 344.502 5.800 70 40 EKIB CCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC(C)C)c1 218324621 OKYIYQVXGWPDJN-INIZCTEOSA-N 334.504 5.523 70 40 EKIB CC[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(C)c(C)c1 218060486 LENBSFNTHPRPJH-APWZRJJASA-N 327.493 5.052 70 40 EKIB CCCCN(Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(C)C)c1 218323303 QQIUMGFFDYJADI-FQEVSTJZSA-N 338.539 6.179 70 40 EKIB CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCCC 217766308 MSFQWPMLNHUEFD-UHFFFAOYSA-N 331.456 5.105 70 40 EKIB Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C 217992390 YLJQZWACLYKMOM-GJZGRUSLSA-N 347.911 5.315 70 40 EKIB COC(=O)CCCCCCCCCC[Si](Cl)(Cl)Cl 195770767 GABHMIZOYNTSKE-UHFFFAOYSA-N 333.759 5.326 70 40 EKIB Cc1cc2nc(CCCc3nc4cc(C)c(C)cc4o3)oc2cc1C 216741141 DDEZFSRJDKWONI-UHFFFAOYSA-N 334.419 5.378 70 40 EKIB CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC(C)C)c1 218324813 JLHFYGLUHJHVLX-KRWDZBQOSA-N 348.531 5.914 70 40 EKIB CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)cc1C 218732507 OBFFZQADYQBNBV-OAQYLSRUSA-N 339.479 5.038 70 40 EKIB CCCCN(Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(C)C)c1 218323392 QQIUMGFFDYJADI-HXUWFJFHSA-N 338.539 6.179 70 40 EKIB [N-]=[N+]=NC(=O)c1sccc1OCc1ccc(Cl)cc1Cl 8855258 SSPPYDZXWAUDIW-UHFFFAOYSA-N 328.180 5.084 70 40 EKIB Cc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1C 218499873 BKKXEVASBMAQLK-INIZCTEOSA-N 343.426 5.694 70 40 EKIB Cc1ccc([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C 218541669 FVAJDRMIIMDLBH-SFHVURJKSA-N 337.507 5.411 70 40 EKIB CCCCN(Cc1ccccc1)[C@H](C)c1ccc(C)c(NCCC)c1 218323585 NHCNPBZDZYNWKF-HXUWFJFHSA-N 338.539 6.180 70 40 EKIB Clc1cc(NCc2c[nH]c3ccccc23)ccc1Br 218015502 YARDIZJGJPVGAM-UHFFFAOYSA-N 335.632 5.196 70 40 EKIB CCCCNc1cc([C@H](C)N(CCC)Cc2ccccc2)ccc1C 218322390 CFQCGOJGOXTFIF-FQEVSTJZSA-N 338.539 6.180 70 40 EKIB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)cc1C 217960867 LKHYBHLXELLVKP-YRVHBARZSA-N 327.855 5.238 70 40 EKIB Cc1cc(Cl)ccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 218096906 PEXBZSSJAFNVHK-QGOAFFKASA-N 337.806 5.421 70 40 EKIB CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C)cc1C 218072261 IJVCBIBGOXKCRK-PXNSSMCTSA-N 341.520 5.193 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C 218541597 FVAJDRMIIMDLBH-GOSISDBHSA-N 337.507 5.411 70 40 EKIB CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)cc1C 217856461 MKDQOUAWUUZEBM-QGZVFWFLSA-N 336.262 5.491 70 40 EKIB O=C(CCSc1ccccc1)Nc1ccc(OC2CCCC2)cc1 218080626 QHDLXKKOSRTEBV-UHFFFAOYSA-N 341.476 5.129 70 40 EKIB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C 218105739 STIGZMDZNUKLPT-LUJYGJGBSA-N 345.442 5.314 70 40 EKIB CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(C)cc1C 218150409 BMXCFKVHAROCCP-FQEVSTJZSA-N 341.520 5.362 70 40 EKIB CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C)c(C)c1 218071676 RXFIWVXNKRIWGL-YLJYHZDGSA-N 341.520 5.193 70 40 EKIB CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 217954038 XUYRBZNLTVBSMO-DAXPHYLKSA-N 349.518 5.882 70 40 EKIB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccccc2Cl)c1 218027609 WHRUSUGUVSTFSR-OAHLLOKOSA-N 347.911 5.067 70 40 EKIB CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 217954291 ITMYAYXNJCEBFD-QMUTUGEISA-N 349.518 5.882 70 40 EKIB CCOc1ccccc1CNc1ccc(Br)c(Cl)c1 218004689 ADHAEBHPXALBOO-UHFFFAOYSA-N 340.648 5.113 70 40 EKIB CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(C)cc1C 218017947 CGTJQPCELQWETF-HXUWFJFHSA-N 341.520 5.113 70 40 EKIB CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(C)cc1C 218018018 CGTJQPCELQWETF-FQEVSTJZSA-N 341.520 5.113 70 40 EKIB CCCCCc1c(C)nc2c(C)cccc2c1Nc1ccccc1C 217443676 AVCKZGHAPAFYJX-UHFFFAOYSA-N 332.491 6.636 70 40 EKIB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 218064215 ZNFJCDXKVLNDRM-QGZVFWFLSA-N 341.520 5.040 70 40 EKIB CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1C 218142366 KGGCYZXLJBALLD-PXNSSMCTSA-N 341.520 5.360 70 40 EKIB CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C)cc1C 218072105 IJVCBIBGOXKCRK-XLIONFOSSA-N 341.520 5.193 70 40 EKIB CC[C@@H](NC(=O)CCSc1ccccc1)c1ccc(C)c(C)c1 218082691 BWINURUOHUZPOM-LJQANCHMSA-N 327.493 5.053 70 40 EKIB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2cccc(Cl)c2)c1 218034729 CCCKNSFWLNTPGT-HNNXBMFYSA-N 347.911 5.067 70 40 EKIB CC[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(C)c(C)c1 218060652 LENBSFNTHPRPJH-LPHOPBHVSA-N 327.493 5.052 70 40 EKIB CCCCCn1cc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21 218736012 RCXFMWJQOYCIQU-UHFFFAOYSA-N 348.490 5.497 70 40 EKIB in-vitro O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 217958865 UADJOKLIIQHFSA-VGOFMYFVSA-N 341.838 5.313 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1C 218499796 BKKXEVASBMAQLK-MRXNPFEDSA-N 343.426 5.694 70 40 EKIB CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 217954114 XUYRBZNLTVBSMO-QMUTUGEISA-N 349.518 5.882 70 40 EKIB CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)c(C)c1 218166063 YROBFEMAFGPOOK-QHCPKHFHSA-N 343.470 5.852 70 40 EKIB Cc1ccc(C)c([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 218101872 FTDHQUOLCCLKMH-GNFOSXPUSA-N 345.442 5.314 70 40 EKIB CCCCn1c(C)c(C(=O)OCC)c2cc(OC3CCCC3)ccc21 217768395 OADMDNLIRKCZTD-UHFFFAOYSA-N 343.467 5.248 70 40 EKIB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C)c(C)c1 218141952 MGKGPTYNMJQQMQ-FXAWDEMLSA-N 341.520 5.360 70 40 EKIB CCCCCCCCCCCCc1ccc(S(=O)(=O)Cl)cc1 100234646 VLBSKIZWQATQRK-UHFFFAOYSA-N 344.948 6.078 70 40 EKIB CC(C)c1ccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 217860842 MSTXWVPPUTVENR-UHFFFAOYSA-N 337.507 5.470 70 40 EKIB CCCCCCCCCC[SiH](CC)CCCCCCCCCC 205489146 MPDDMSGOAWBHHN-UHFFFAOYSA-N 340.712 8.515 70 40 EKIB C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 217275425 NOAUQGOLEYMDRV-ZDUSSCGKSA-N 328.843 5.102 70 40 EKIB CCCCNc1cc([C@H](C)N(CCC)C(=O)OC(C)(C)C)ccc1C 218285300 KXNCBVPRTVYLAJ-KRWDZBQOSA-N 348.531 5.915 70 40 EKIB CC(C)c1ccc(CCCNC(=O)CCSc2ccccc2)cc1 218085535 MSFRZQWIGZBRJY-UHFFFAOYSA-N 341.520 5.041 70 40 EKIB O=C(NCc1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1 218198662 RPNNDWYTAVSFLW-UHFFFAOYSA-N 337.422 5.437 70 40 EKIB C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 217275423 NOAUQGOLEYMDRV-CYBMUJFWSA-N 328.843 5.102 70 40 EKIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(CC)cc3)c2)cc1 216730399 AGKFLZHMQDIYMR-HSZRJFAPSA-N 346.474 5.138 70 40 EKIB CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NCCC)c1 218285937 GFHZZJLEYFDCOS-KRWDZBQOSA-N 348.531 5.915 70 40 EKIB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1C 218142287 KGGCYZXLJBALLD-FXAWDEMLSA-N 341.520 5.360 70 40 EKIB FC(F)(F)c1cccc(Cn2ccc(-c3cc4ccccc4o3)n2)c1 216690278 NDXYMZDFSHGRIM-UHFFFAOYSA-N 342.320 5.363 70 40 EKIB CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(C)c(C)c1 218024257 SRTPNAPJMDWBPH-HXUWFJFHSA-N 341.520 5.113 70 40 EKIB CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C)c(C)c1 218071911 RXFIWVXNKRIWGL-PXNSSMCTSA-N 341.520 5.193 70 40 EKIB CC[C@H](NC(=O)CCSc1ccccc1)c1ccc(C)cc1C 218083642 BXNCTANOHFEKBX-IBGZPJMESA-N 327.493 5.053 70 40 EKIB CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(C)c(C)c1 218017766 FGZJJFFZTRIOLZ-HXUWFJFHSA-N 341.520 5.113 70 40 EKIB CCCCn1c(C)c(C(=O)OCC)c2cc(O[C@@H](C)CCC)ccc21 217763196 DDUDWXITDQHDDJ-HNNXBMFYSA-N 345.483 5.494 70 40 EKIB Cc1ccc([C@@H](C)N(C)Cc2ccccc2)cc1NCc1ccccc1 218319937 RPZWDHLKDCNXRX-HXUWFJFHSA-N 344.502 5.800 70 40 EKIB Cc1ccc(Cl)cc1NC(=O)/C(=C/c1ccco1)c1ccccc1 218097021 NLCFXNITPWQAKG-QGOAFFKASA-N 337.806 5.421 70 40 EKIB Cc1cccc2c(Nc3ccccc3)cc(/C=C/c3ccccc3)nc12 217446667 HYNFTWUQIKWUSQ-FOCLMDBBSA-N 336.438 6.457 70 40 EKIB Clc1cc(NCc2cccc3ccccc23)ccc1Br 218006362 YXLNUSYMSFDACY-UHFFFAOYSA-N 346.655 5.868 70 40 EKIB CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)c(C)c1 218732418 LGUXZOYYTIOLKE-NRFANRHFSA-N 339.479 5.038 70 40 EKIB Cc1cc(-c2ccc(N[B-](F)(F)F)c(C)c2)ccc1N[B-](F)(F)F 195782509 MMCATBSUWFLDQL-UHFFFAOYSA-N 345.892 5.482 70 40 EKIB CC(C)C(C(C)C)P(OCc1ccccc1)OCc1ccccc1 216644079 ZUUQBOHQXAUFBS-UHFFFAOYSA-N 344.435 6.413 70 40 EKIB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 217272373 LWHCZMPOYJIPLD-ZDUSSCGKSA-N 328.843 5.102 70 40 EKIB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 218538274 UNVVWMUMRFCFEV-GOSISDBHSA-N 337.507 5.411 70 40 EKIB CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1C 218166184 SIWIZMSEUCMTOZ-HSZRJFAPSA-N 343.470 5.852 70 40 EKIB O=C(/C=C/c1ccccc1Cl)Nc1ccc(OC2CCCC2)cc1 217900501 PMBXDRCLPZIISW-NTEUORMPSA-N 341.838 5.313 70 40 EKIB CC[C@@H](c1c(F)c(F)c(F)c(F)c1F)[Si](Cl)(Cl)Cl 196881439 SOABBDSFLIIWQI-VKHMYHEASA-N 343.582 5.070 70 40 EKIB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1 218057076 PGGKZWVLLSJNNP-OAHLLOKOSA-N 341.476 5.127 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C 217992323 YLJQZWACLYKMOM-CABCVRRESA-N 347.911 5.315 70 40 EKIB CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 217963319 KDHBMPTWOODCAA-NTEUORMPSA-N 341.882 5.226 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1C 218031184 RVMXPNVOZHSXNR-OAHLLOKOSA-N 347.911 5.067 70 40 EKIB CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OC3CCCC3)cc12 217768592 PDGAKINXGFPABJ-UHFFFAOYSA-N 343.467 5.104 70 40 EKIB CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C)c(C)c1 217902522 YUGFHKWPGJPQFW-CVTTXWKISA-N 327.855 5.238 70 40 EKIB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)cc1C 217960944 LKHYBHLXELLVKP-BEBFYNPSSA-N 327.855 5.238 70 40 EKIB CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1C 218024530 GUDUJKINTZDISL-FQEVSTJZSA-N 341.520 5.113 70 40 EKIB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1 218057132 PGGKZWVLLSJNNP-HNNXBMFYSA-N 341.476 5.127 70 40 EKIB Cc1nc(-c2ccccc2NC(=O)c2cccc(Cl)c2)cs1 217650529 GTTWMUBGGLWJKV-UHFFFAOYSA-N 328.824 5.024 70 40 EKIB CSc1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 218099471 GVAHIBJXNLJRJW-XMHGGMMESA-N 335.428 5.181 70 40 EKIB Cc1c(Cl)cccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 218097147 WFLFOVWZVYQXNE-GHRIWEEISA-N 337.806 5.421 70 40 EKIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3CC)c2)cc1 216730727 DJBVOVWOTNOCSL-QHCPKHFHSA-N 346.474 5.138 70 40 EKIB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C)c(C)c1 218141882 MGKGPTYNMJQQMQ-XLIONFOSSA-N 341.520 5.360 70 40 EKIB CCC[C@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCC 217763083 GLUPEJOUHIJNAZ-AWEZNQCLSA-N 331.456 5.104 70 40 EKIB CCCCNc1cc([C@@H](C)N(CCC)C(=O)OC(C)(C)C)ccc1C 218285261 KXNCBVPRTVYLAJ-QGZVFWFLSA-N 348.531 5.915 70 40 EKIB CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1C 218024441 GUDUJKINTZDISL-HXUWFJFHSA-N 341.520 5.113 70 40 EKIB CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)cc1C 217856532 MKDQOUAWUUZEBM-KRWDZBQOSA-N 336.262 5.491 70 40 EKIB CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1 217856365 QVUHYFPEZDZVTO-KRWDZBQOSA-N 336.262 5.491 70 40 EKIB COC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12 216941781 CXJQQPCKNKFKET-UHFFFAOYSA-N 327.383 5.150 70 40 EKIB CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C)cc1C 218072027 IJVCBIBGOXKCRK-YLJYHZDGSA-N 341.520 5.193 70 40 EKIB Cc1ccc([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C 218089721 AQGLLYMAKZOXRA-HNNXBMFYSA-N 347.911 5.316 70 40 EKIB CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1C 217983199 KKSGNNBLRUAGEE-GOSISDBHSA-N 347.911 5.316 70 40 EKIB Cc1ccc(C)c([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)c1 218086182 BOJCIBGZSDFEQM-OAHLLOKOSA-N 347.911 5.316 70 40 EKIB CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NCC)c1 218285786 FUOXEXCWGNRRKB-INIZCTEOSA-N 334.504 5.525 70 40 EKIB CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCC 217763002 GLUPEJOUHIJNAZ-CQSZACIVSA-N 331.456 5.104 70 40 EKIB CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(C)cc1C 218150356 BMXCFKVHAROCCP-HXUWFJFHSA-N 341.520 5.362 70 40 EKIB CCCNc1cc([C@H](C)N(CCC)C(=O)OC(C)(C)C)ccc1C 218285193 HBKGNWOANXOBHM-INIZCTEOSA-N 334.504 5.525 70 40 EKIB CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(C)c(C)c1 218017844 FGZJJFFZTRIOLZ-FQEVSTJZSA-N 341.520 5.113 70 40 EKIB CC[C@H](NC(=O)CCSc1ccccc1)c1ccc(C)c(C)c1 218083456 BWINURUOHUZPOM-IBGZPJMESA-N 327.493 5.053 70 40 EKIB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)c(C)c1 217960749 YBUVGDZBFXSXFC-BEBFYNPSSA-N 327.855 5.238 70 40 EKIB CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(C)c(C)c1 218150238 OBWHDEPEODECKJ-FQEVSTJZSA-N 341.520 5.362 70 40 EKIB CC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 217275419 POQYPKXQKYIHOY-LJQANCHMSA-N 342.870 5.492 70 40 EKIB CCCCNc1cc([C@H](C)N(CC)C(=O)OC(C)(C)C)ccc1C 218284540 YQEIRZYHZUACLC-INIZCTEOSA-N 334.504 5.525 70 40 EKIB O=C(NCCCc1ccc(F)cc1)c1cc2c(ccc3ccccc32)o1 218496547 JQRGAOUSNRYVFI-UHFFFAOYSA-N 347.389 5.088 70 40 EKIB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C 218044558 VXUNMUIQVAUTAH-HNNXBMFYSA-N 347.911 5.067 70 40 EKIB CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)c(C)c1 218165977 YROBFEMAFGPOOK-HSZRJFAPSA-N 343.470 5.852 70 40 EKIB CCCCN(Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCCC)c1 218323504 NHCNPBZDZYNWKF-FQEVSTJZSA-N 338.539 6.180 70 40 EKIB Cc1ccc(C)c([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 218538355 UNVVWMUMRFCFEV-SFHVURJKSA-N 337.507 5.411 70 40 EKIB Cc1ccc(SCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 217976310 LOVLSVVXKBEHJG-UHFFFAOYSA-N 341.476 5.047 70 40 EKIB CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C)c(C)c1 217902463 YUGFHKWPGJPQFW-TZZQJPOUSA-N 327.855 5.238 70 40 EKIB CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC(C)C 217763586 PHLNBWWYNHYIHY-OAHLLOKOSA-N 345.483 5.350 70 40 EKIB CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NCC)c1 218285835 FUOXEXCWGNRRKB-MRXNPFEDSA-N 334.504 5.525 70 40 EKIB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C)c(C)c1 218141809 MGKGPTYNMJQQMQ-YLJYHZDGSA-N 341.520 5.360 70 40 EKIB CC[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 217275421 POQYPKXQKYIHOY-IBGZPJMESA-N 342.870 5.492 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C 218044472 VXUNMUIQVAUTAH-OAHLLOKOSA-N 347.911 5.067 70 40 EKIB CCC[C@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC(C)C 217763665 PHLNBWWYNHYIHY-HNNXBMFYSA-N 345.483 5.350 70 40 EKIB CC(C)c1ccc(CCCNC(=O)[C@H](C)Sc2ccccc2)cc1 218064304 ZNFJCDXKVLNDRM-KRWDZBQOSA-N 341.520 5.040 70 40 EKIB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1C 217983287 KKSGNNBLRUAGEE-SFHVURJKSA-N 347.911 5.316 70 40 EKIB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C 217992234 YLJQZWACLYKMOM-LSDHHAIUSA-N 347.911 5.315 70 40 EKIB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)c1 218034647 CCCKNSFWLNTPGT-OAHLLOKOSA-N 347.911 5.067 70 40 EKIB CCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12 216941752 RWJFLTHFZNKYCB-UHFFFAOYSA-N 341.410 5.540 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C 217992161 YLJQZWACLYKMOM-HUUCEWRRSA-N 347.911 5.315 70 40 EKIB CC[C@H](c1c(F)c(F)c(F)c(F)c1F)[Si](Cl)(Cl)Cl 196881450 SOABBDSFLIIWQI-GSVOUGTGSA-N 343.582 5.070 70 40 EKIB CC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(C)c(C)c1 218060411 LENBSFNTHPRPJH-VQIMIIECSA-N 327.493 5.052 70 40 EKIB C[Si](C)(Cl)CCCCCCCCCCCBr 196790821 WOFGXJUDMCOIBH-UHFFFAOYSA-N 327.810 6.336 70 40 EKIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3CC)c2)cc1 216730679 DJBVOVWOTNOCSL-HSZRJFAPSA-N 346.474 5.138 70 40 EKIB CCOc1cccc(CNc2ccc(Br)c(Cl)c2)c1 218005059 FYKMHXROOZLYND-UHFFFAOYSA-N 340.648 5.113 70 40 EKIB COc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217268012 PRMOGZGYYYRYGH-UHFFFAOYSA-N 344.720 5.011 70 40 EKIB CC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(C)cc1C 218060744 ZXNSIRKLHPLABS-VQIMIIECSA-N 327.493 5.052 70 40 EKIB CC(C)c1ccc2oc(CCc3nc4cc(C(C)C)ccc4o3)nc2c1 216740349 RXRPIAGNANOECT-UHFFFAOYSA-N 348.446 6.001 70 40 EKIB CCCCNc1cc([C@@H](C)N(CC)C(=O)OC(C)(C)C)ccc1C 218284462 YQEIRZYHZUACLC-MRXNPFEDSA-N 334.504 5.525 70 40 EKIB O=C(NCCSc1ccccc1)c1cc2c(ccc3ccccc32)o1 218493888 UTWMNZQEKIDBRD-UHFFFAOYSA-N 347.439 5.108 70 40 EKIB CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(C)c(C)c1 218024335 SRTPNAPJMDWBPH-FQEVSTJZSA-N 341.520 5.113 70 40 EKIB COc1ccccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1 217267997 OQMHIKNPKOESLX-UHFFFAOYSA-N 334.375 5.132 70 40 EKIB CC(C)(C)N=C=NC(c1ccccc1)(c1ccccc1)c1ccccc1 8642342 QHYTZNYMXYFNIH-UHFFFAOYSA-N 340.470 5.951 70 40 EKIB Cc1ccc(C)c([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 218101960 FTDHQUOLCCLKMH-LUJYGJGBSA-N 345.442 5.314 70 40 EKIB CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C)cc1C 218072186 IJVCBIBGOXKCRK-FXAWDEMLSA-N 341.520 5.193 70 40 EKIB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)c(C)c1 217960680 YBUVGDZBFXSXFC-YRVHBARZSA-N 327.855 5.238 70 40 EKIB Cc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C 218038103 QWRDILCNTPKHCB-OAHLLOKOSA-N 347.911 5.067 70 40 EKIB CCCCNc1cc([C@@H](C)N(CCC)Cc2ccccc2)ccc1C 218322323 CFQCGOJGOXTFIF-HXUWFJFHSA-N 338.539 6.180 70 40 EKIB