smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)CC1 218395793 COLDRDJGJNIXKZ-HNNXBMFYSA-N 426.470 -0.218 70 50 IBIA