smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1OS(=O)(=O)C(F)(F)F 2265362238 PNQRPRUVTHOFMH-QVHKTLOISA-N 456.391 1.618 70 30 JDIC O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OS(=O)(=O)C(F)(F)F)ccc1-2 142970600 RLRIZHLAYQLYCO-ZDUSSCGKSA-N 462.402 1.489 70 30 JDIC