[
  {
    "molid": "mol11660",
    "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": -1.652545690536499,
        "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": -9.122868537902832,
        "relative_population": 0.5664525720065453
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@]1(C(=O)[O-])C[C@@]1(C(=O)O)c1ccccc1",
        "std_free_energy": -8.855476379394531,
        "relative_population": 0.43354742799345464
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@]1(C(=O)[O-])C[C@@]1(C(=O)[O-])c1ccccc1",
        "std_free_energy": -10.385293960571289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.28,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]