smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)n(Cn2cc([N+](=O)[O-])c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC000048533266 374283694 /nfs/dbraw/zinc/28/36/94/374283694.db2.gz NRSGNGIESDUEBI-UHFFFAOYSA-N -2 0 326.181 -1.467 50 5 EABARL