smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000037433647 597027808 /nfs/dbraw/zinc/02/78/08/597027808.db2.gz MFKDKMPCSZKFMR-UHFFFAOYSA-N -2 1 241.159 -0.903 20 5 BBBDML