[
  {
    "molid": "mol26229",
    "smiles": "C[n+]1c(N)cnc2c(O)ncnc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1c(N)cnc2c([O-])ncnc21",
        "std_free_energy": -4.828978061676025,
        "relative_population": 0.999250452115968
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[n+]1c(N)cnc2c(O)ncnc21",
        "std_free_energy": -0.3754784166812897,
        "relative_population": 0.9988147483106432
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.33,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]