[
  {
    "molid": "mol8941",
    "smiles": "NC(=O)C([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)C([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -3.784512519836426,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)[C-]([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -7.419434547424316,
        "relative_population": 0.9999456838611902
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]