[
  {
    "molid": "mol22314",
    "smiles": "O=C(O)CC(O)(O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CC(O)(O)C(=O)O",
        "std_free_energy": -1.169185757637024,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CC(O)(O)C(=O)O",
        "std_free_energy": -8.090743064880371,
        "relative_population": 0.19282982496275994
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)CC(O)(O)C(=O)[O-]",
        "std_free_energy": -9.522469520568848,
        "relative_population": 0.8071701750372402
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]