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-])c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000000000116 1024376087 /nfs/dbraw/zinc/37/60/87/1024376087.db2.gz NJQADTYRAYFBJN-MHYGZLNHSA-N -3 0 231.133 2.775 50 50 BFGARL