[
  {
    "molid": "mol9398",
    "smiles": "Cc1c(O)nc(O)n1C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(O)nc(O)n1C(N)=O",
        "std_free_energy": -6.374042987823486,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(O)nc([O-])n1C(N)=O",
        "std_free_energy": -2.889383554458618,
        "relative_population": 0.44783227372445805
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c([O-])nc(O)n1C(N)=O",
        "std_free_energy": -3.0988166332244873,
        "relative_population": 0.5521677262755419
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]