smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccc2cc3cccc4cccc(cc2c1)c43 64622642 DIJNSQQKNIVDPV-UHFFFAOYSA-N 228.294 5.146 5 1 BKBF in-vitro Cc1cc(C)c2cc3cc(C)c(C)cc3cc2c1 238744278 CHVJIXHNYCLKKH-UHFFFAOYSA-N 234.342 5.227 5 1 BKBF Cc1cc(C)c2cc3c(C)cc(C)cc3cc2c1 230614963 ULCNNXSZTPMOQL-UHFFFAOYSA-N 234.342 5.227 5 1 BKBF