smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000833275402 588533086 /nfs/dbraw/zinc/53/30/86/588533086.db2.gz XZIAFWZZWLVHDN-UHFFFAOYSA-N -2 2 341.301 0.172 20 10 ECCDLL