[
  {
    "molid": "mol33748",
    "smiles": "NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]",
        "std_free_energy": -6.181135177612305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[NH2+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]",
        "std_free_energy": 4.497829437255859,
        "relative_population": 0.3512252763351924
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]",
        "std_free_energy": 3.884171724319458,
        "relative_population": 0.6487747236648075
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5699999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]