smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc([O-])c(-c2cc([N+](=O)[O-])ccc2O)c1 ZINC000036019045 372553906 /nfs/dbraw/zinc/55/39/06/372553906.db2.gz FRXHXPOXUZYRII-UHFFFAOYSA-N -1 2 276.204 2.581 50 5 CFBALM