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)Nc1ccc(C(=O)[O-])cc1O ZINC000000000116 1024376088 /nfs/dbraw/zinc/37/60/88/1024376088.db2.gz NJQADTYRAYFBJN-MHYGZLNHSA-N -2 2 231.133 2.775 50 50 BFGALL