smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2cc3ccccc3cc2oc2cc([O-])c([N+](=O)[O-])c([O-])c21 ZINC000040918246 183148423 /nfs/dbraw/zinc/14/84/23/183148423.db2.gz HWONXTBCOAUQJP-UHFFFAOYSA-N -2 1 323.260 3.419 1 5 DGBFML