smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc([O-])c([N+](=O)[O-])c([O-])c2c(=O)n(C)c1=O ZINC000003998392 374142891 /nfs/dbraw/zinc/14/28/91/374142891.db2.gz CXFMBXVUUMAZJG-UHFFFAOYSA-N -2 3 268.185 -1.048 50 5 CABAHL