[
  {
    "molid": "mol25482",
    "smiles": "Cn1c(=O)nc(O)n1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)nc(O)n1-c1ccccc1",
        "std_free_energy": -4.819281101226807,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)nc([O-])n1-c1ccccc1",
        "std_free_energy": -5.949612617492676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]