smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)CC2)cc1 216826591 VMAJTMLYRDYLCW-UHFFFAOYSA-N 550.703 2.061 70 20 KEID O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCNC(=O)CCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 2383293457 RRFOOKGLXSZDRA-BIALHBOASA-N 728.734 2.092 70 20 KEID