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-])c([N+](=O)[O-])c(=O)n1CC(=O)[O-] ZINC000081976919 388722770 /nfs/dbraw/zinc/72/27/70/388722770.db2.gz XUHHQQPFQLOWAV-UHFFFAOYSA-N -2 0 228.160 -0.145 40 5 BBBBRL