[
  {
    "molid": "mol38266",
    "smiles": "N=C(N/N=C/c1ccccc1O)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])N/N=C\\c1ccccc1O",
        "std_free_energy": -8.547591209411621,
        "relative_population": 0.9841642761645221
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "N=C([N-]/N=C\\c1ccccc1O)[N-][N+](=O)[O-]",
        "std_free_energy": 1.3209195137023926,
        "relative_population": 0.13454528096165902
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "N=C([N-][N+](=O)[O-])N/N=C\\c1ccccc1[O-]",
        "std_free_energy": -0.49295294284820557,
        "relative_population": 0.8253217087795343
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]