smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features ClP(Cc1ccccc1)Cc1ccccc1 95670755 GEQHSJWVCCJNMP-UHFFFAOYSA-N 248.693 5.023 50 40 BKGB C[C@@H](Cl)c1ccc2cc3ccccc3cc2c1 65739278 NSUQPUKYAXMLKQ-LLVKDONJSA-N 240.733 5.293 50 40 BKGB in-vitro ClCCCCCCCCCc1ccccc1 2579149 KFJDHWCTDWNJTP-UHFFFAOYSA-N 238.802 5.199 50 40 BKGB CCCCCCCCc1ccc(CCl)cc1 100012668 ZVHWQQPJHLSYKL-UHFFFAOYSA-N 238.802 5.328 50 40 BKGB CCCCCCCC/C(C=O)=C/c1ccccc1 104042903 JRNHNQILGWMNSC-VKAVYKQESA-N 244.378 5.020 50 40 BKGB BrC1CCCCCCCCCCC1 55345796 IADKAKQBSKWITE-UHFFFAOYSA-N 247.220 5.055 50 40 BKGB C[C@H](Cl)c1ccc2cc3ccccc3cc2c1 65739276 NSUQPUKYAXMLKQ-NSHDSACASA-N 240.733 5.293 50 40 BKGB in-vitro CC[C@@H](Cl)c1ccc(-c2ccccc2F)cc1 165643 SFMPWSFPVQMJEJ-CQSZACIVSA-N 248.728 5.183 50 40 BKGB Cc1ccc2c(c1)SSc1cc(C)ccc1-2 3160899 PJCMGVYCTGLPGS-UHFFFAOYSA-N 244.384 5.083 50 40 BKGB CCCCCCCC/C(C=O)=C\c1ccccc1 104042900 JRNHNQILGWMNSC-SAPNQHFASA-N 244.378 5.020 50 40 BKGB CCCCCCCCCCCCOCCCl 100075492 YDOHNPVDVXAVOB-UHFFFAOYSA-N 248.838 5.163 50 40 BKGB Cc1ccccc1SSc1ccccc1C 1606191 ZSSCTTQONPHGRA-UHFFFAOYSA-N 246.400 5.103 50 40 BKGB CC[C@H](Cl)c1ccc(-c2ccccc2F)cc1 3045912 SFMPWSFPVQMJEJ-AWEZNQCLSA-N 248.728 5.183 50 40 BKGB CCCCCCCCCC[C@H](Cl)CCl 100075796 HMBLILXCOAXXCR-LBPRGKRZSA-N 239.230 5.363 50 40 BKGB Cc1c2ccccc2c(CCl)c2ccccc12 2014256 UHHQJUJHFOQCQJ-UHFFFAOYSA-N 240.733 5.040 50 40 BKGB ClCCCCCCCCCCCCCl 2579142 RNXPZVYZVHJVHM-UHFFFAOYSA-N 239.230 5.365 50 40 BKGB CCCCCC[C@H](CBr)CCCC 85210427 PQAMWMMOUKNGEL-GFCCVEGCSA-N 249.236 5.158 50 40 BKGB CCCCCCCCP(=O)(Cl)Cl 100028008 RTHCRCDXILKTCY-UHFFFAOYSA-N 231.103 5.018 50 40 BKGB CCCCCC[C@@H](CBr)CCCC 85210428 PQAMWMMOUKNGEL-LBPRGKRZSA-N 249.236 5.158 50 40 BKGB CCCCCCCCCC[C@@H](Cl)CCl 2539159 HMBLILXCOAXXCR-GFCCVEGCSA-N 239.230 5.363 50 40 BKGB FS(F)(F)(F)(F)CCCCCCCl 97957395 USEIDGCGSVFLNQ-UHFFFAOYSA-N 246.672 5.084 50 40 BKGB CC(C)(C)c1cc(CCl)cc(C(C)(C)C)c1 111343051 UNRGFCVSCXJGCL-UHFFFAOYSA-N 238.802 5.020 50 40 BKGB