[
  {
    "molid": "mol36407",
    "smiles": "CN(C)c1ccc(/C=N/NC(=N)N[N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/C=N/NC(=N)N[N+](=O)[O-])cc1",
        "std_free_energy": -5.611252784729004,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CN(C)c1ccc(/C=N/NC(=N)[N-][N+](=O)[O-])cc1",
        "std_free_energy": -7.070605278015137,
        "relative_population": 0.9960736383664913
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]