[
  {
    "molid": "mol35452",
    "smiles": "CCCO/C(=N\\CCN[N+](=O)[O-])N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCO/C(=N\\CCN[N+](=O)[O-])N[N+](=O)[O-]",
        "std_free_energy": -4.5458855628967285,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCO/C(=N\\CCN[N+](=O)[O-])[N-][N+](=O)[O-]",
        "std_free_energy": -7.353827476501465,
        "relative_population": 0.7295970187774373
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCO/C(=N\\CC[N-][N+](=O)[O-])N[N+](=O)[O-]",
        "std_free_energy": -6.36124849319458,
        "relative_population": 0.27040298122256273
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]