[
  {
    "molid": "mol22525",
    "smiles": "O=C(O)C#CCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C#CCC(=O)O",
        "std_free_energy": 1.246751070022583,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C#CCC(=O)[O-]",
        "std_free_energy": -8.078856468200684,
        "relative_population": 0.32639408198811537
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C#CCC(=O)O",
        "std_free_energy": -8.803396224975586,
        "relative_population": 0.6736059180118846
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.89,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]