smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1c(-c2c3ccccc3cc3ccccc32)[nH+]c2ccccn12 ZINC000095563527 185379962 /nfs/dbraw/zinc/37/99/62/185379962.db2.gz ODKNOTWZPMRDJX-UHFFFAOYSA-N 1 1 309.372 4.890 1 5 DJBFMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000096930042 185392253 /nfs/dbraw/zinc/39/22/53/185392253.db2.gz MTCYTNQNZFTFSO-OAHLLOKOSA-N 1 1 320.392 4.941 1 5 DJBFMO