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-])CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O ZINC000408596866 438582054 /nfs/dbraw/zinc/58/20/54/438582054.db2.gz SURPLUGGIVHWQA-FARCUNLSSA-N -1 2 341.663 0.931 40 5 ECBBLM