[
  {
    "molid": "mol34217",
    "smiles": "CC(C(=O)O)C(=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)O)C(=O)C(=O)O",
        "std_free_energy": 0.46395593881607056,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)[O-])C(=O)C(=O)O",
        "std_free_energy": -9.175630569458008,
        "relative_population": 0.5028484739537181
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)O)C(=O)C(=O)[O-]",
        "std_free_energy": -9.154939651489258,
        "relative_population": 0.4925509771321061
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]