[
  {
    "molid": "mol11661",
    "smiles": "C[C@@]1(C(=O)O)C[C@]1(C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@]1(C(=O)O)C[C@]1(C(=O)O)c1ccccc1",
        "std_free_energy": -1.887618899345398,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@]1(C(=O)O)C[C@]1(C(=O)[O-])c1ccccc1",
        "std_free_energy": -8.919676780700684,
        "relative_population": 0.5924117112251267
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@]1(C(=O)[O-])C[C@]1(C(=O)O)c1ccccc1",
        "std_free_energy": -8.545732498168945,
        "relative_population": 0.40758828877487324
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@]1(C(=O)[O-])C[C@]1(C(=O)[O-])c1ccccc1",
        "std_free_energy": -10.160202026367188,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.61,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.33,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]