smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(S(=O)(=O)n2nc(OS(=O)(=O)C(F)(F)F)cc2N)cc1 70719473 BLHPKJJQKKNOKU-UHFFFAOYSA-N 401.344 0.939 70 1 HCIF Nc1nc2c(ncn2COCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c(=O)[nH]1 42764660 ILTLSGUQUXKQAH-UHFFFAOYSA-N 411.371 0.191 70 1 HCIF