[
  {
    "molid": "mol9533",
    "smiles": "O=C1C(O)=C(O)C(=O)C(O)=C1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C1C([O-])=C([O-])C(=O)C(O)=C1[O-]",
        "std_free_energy": 3.840904712677002,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C([O-])=C(O)C(=O)C(O)=C1O",
        "std_free_energy": -5.822811603546143,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C([O-])=C(O)C(=O)C([O-])=C1O",
        "std_free_energy": 0.4792955815792084,
        "relative_population": 0.6004958094830682
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C1C([O-])=C(O)C(=O)C(O)=C1[O-]",
        "std_free_energy": 0.9879398345947266,
        "relative_population": 0.3610842859261134
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.8,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]