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-])c1cn2c(ccc3cc([N+](=O)[O-])ccc32)[nH+]1 ZINC000040465107 174274374 /nfs/dbraw/zinc/27/43/74/174274374.db2.gz AVHOUIWGRRNHPG-UHFFFAOYSA-N 0 2 257.205 2.094 1 5 CEBFLN