[
  {
    "molid": "mol31745",
    "smiles": "C[C@@H](CC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](CC(=O)O)C(=O)O",
        "std_free_energy": -2.327458381652832,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](CC(=O)[O-])C(=O)O",
        "std_free_energy": -8.664484977722168,
        "relative_population": 0.4255299270265161
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](CC(=O)O)C(=O)[O-]",
        "std_free_energy": -8.964597702026367,
        "relative_population": 0.5744700729734838
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]