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-])CC[N@@H+]1C[C@@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@@]([N+](=O)[O-])(C1)C2 ZINC000003624046 304053374 /nfs/dbraw/zinc/05/33/74/304053374.db2.gz KCONSEYJHJEESG-NEPJUHHUSA-N -1 1 329.265 -0.388 50 5 EBBAMM O=C([O-])CC[N@H+]1C[C@@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@@]([N+](=O)[O-])(C1)C2 ZINC000003624046 304053376 /nfs/dbraw/zinc/05/33/76/304053376.db2.gz KCONSEYJHJEESG-NEPJUHHUSA-N -1 1 329.265 -0.388 50 5 EBBAMM