[
  {
    "molid": "mol9568",
    "smiles": "CC(O)(CC(=O)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@](O)(CC(=O)C(=O)O)C(=O)O",
        "std_free_energy": -0.6460357904434204,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@](O)(CC(=O)C(=O)O)C(=O)[O-]",
        "std_free_energy": -8.424610137939453,
        "relative_population": 0.45064905542513306
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@](O)(CC(=O)C(=O)[O-])C(=O)O",
        "std_free_energy": -8.622658729553223,
        "relative_population": 0.549350944574867
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@](O)(CC(=O)C(=O)[O-])C(=O)[O-]",
        "std_free_energy": -13.377095222473145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.72,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]