[
  {
    "molid": "mol36072",
    "smiles": "CN(/N=C/c1ccccc1)C(=N)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(/N=C/c1ccccc1)C(=N)N[N+](=O)[O-]",
        "std_free_energy": -5.823566436767578,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(/N=C/c1ccccc1)C(=[N-])N[N+](=O)[O-]",
        "std_free_energy": -4.735103607177734,
        "relative_population": 0.08247158381230163
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(/N=C/c1ccccc1)C(=N)[N-][N+](=O)[O-]",
        "std_free_energy": -7.144333362579346,
        "relative_population": 0.9175284161876984
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4499998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]