smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc([N+](=O)[O-])nc-2c([O-])[n-]c1=O ZINC000002273129 342718039 /nfs/dbraw/zinc/71/80/39/342718039.db2.gz CUKVQGUXYGJJJX-UHFFFAOYSA-N -2 3 211.137 -1.142 50 5 BABAHL