smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])ccc1N=Nc1nc[n-]c1[N+](=O)[O-] ZINC000004817935 178199322 /nfs/dbraw/zinc/19/93/22/178199322.db2.gz DZUXBQZIQBUBHM-BUHFOSPRSA-N -2 3 247.214 2.747 50 10 BFCAHL