smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(c1nccc(OS(=O)(=O)C(F)(F)F)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2265360996 ZGRFTEPHFHEDOL-UHFFFAOYSA-N 440.444 2.541 70 30 IFIC