smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1nccc(OS(=O)(=O)C(F)(F)F)n1 2265362028 ZVKMSGIKRWFMLC-UHFFFAOYSA-N 454.471 2.788 70 30 JFIC