[
  {
    "molid": "mol25313",
    "smiles": "Cn1cnc([N+](=O)[O-])n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc([N+](=O)[O-])n1",
        "std_free_energy": -6.616457939147949,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cnc([N+](=O)[O-])[nH+]1",
        "std_free_energy": 11.276620864868164,
        "relative_population": 0.3114413803132185
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c[nH+]c([N+](=O)[O-])n1",
        "std_free_energy": 10.483231544494629,
        "relative_population": 0.6885586196867814
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]