smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2[n-]c([N+](=O)[O-])nc2c(=O)[nH]c1=O ZINC000002273129 342718037 /nfs/dbraw/zinc/71/80/37/342718037.db2.gz CUKVQGUXYGJJJX-UHFFFAOYSA-N -2 1 211.137 -1.142 50 5 BABAML