smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)c2ncn(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2[nH]1 ZINC000016429302 285196966 /nfs/dbraw/zinc/19/69/66/285196966.db2.gz VAOYZVWZWAPJIG-UHFFFAOYSA-N -1 3 337.273 -0.030 40 5 EBBBHM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000003061413 379682072 /nfs/dbraw/zinc/68/20/72/379682072.db2.gz FIZDRWXOPNKPEB-UHFFFAOYSA-N -1 3 331.306 -0.838 40 5 EBBBHM