smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C(N)=O ZINC000161302079 237096098 /nfs/dbraw/zinc/09/60/98/237096098.db2.gz SZITYSJCQSCEJN-UHFFFAOYSA-N -2 3 313.310 0.770 10 70 DCIEHL