[
  {
    "molid": "mol37576",
    "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c(O)c2)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c(O)c2)c([N+](=O)[O-])c1",
        "std_free_energy": -6.009535789489746,
        "relative_population": 0.9999999000341898
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c([O-])c2)c([N+](=O)[O-])c1",
        "std_free_energy": -3.2116944789886475,
        "relative_population": 0.43262044468171085
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc([O-])c(O)c2)c([N+](=O)[O-])c1",
        "std_free_energy": -3.482860565185547,
        "relative_population": 0.5673786299836481
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.73999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]