smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=N\[O-])c1cc([N+](=O)[O-])c2ccccc2c1[O-] ZINC000004951805 342754975 /nfs/dbraw/zinc/75/49/75/342754975.db2.gz AGCJGFIXPQLQTJ-NTUHNPAUSA-N -2 1 246.222 2.652 50 30 BFEAML