[
  {
    "molid": "mol10019",
    "smiles": "CC(OC(C)(C)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](OC(C)(C)C(=O)O)C(=O)O",
        "std_free_energy": -0.5549383163452148,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](OC(C)(C)C(=O)[O-])C(=O)O",
        "std_free_energy": -9.186079025268555,
        "relative_population": 0.538329592747498
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](OC(C)(C)C(=O)O)C(=O)[O-]",
        "std_free_energy": -9.032459259033203,
        "relative_population": 0.46167040725250197
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]