[
  {
    "molid": "mol36799",
    "smiles": "O=[N+]([O-])C(CC(CO)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])C(CC(CO)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.7612080574035645,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])[C-](CC(CO)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.499992847442627,
        "relative_population": 0.9999928668054517
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.17999994754791,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]