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-])c1ccc2scc(O)c2c1 725266702 537928326 /nfs/dbraw/zinc/92/83/26/537928326.db2.gz PFMRODQPCWOAGJ-UHFFFAOYSA-N -1 2 194.211 2.305 10 10 AECELM