[
  {
    "molid": "mol8801",
    "smiles": "CNC(N)=N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(N)=N[N+](=O)[O-]",
        "std_free_energy": -6.95659065246582,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNC(N)=[NH+][N+](=O)[O-]",
        "std_free_energy": 1.0583522319793701,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[N-]C(N)=N[N+](=O)[O-]",
        "std_free_energy": 1.1839680671691895,
        "relative_population": 0.996768916305776
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": -0.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]