[
  {
    "molid": "mol33023",
    "smiles": "CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O",
        "std_free_energy": 2.1050782203674316,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)OC(CC(=O)[O-])(CC(=O)O)C(=O)O",
        "std_free_energy": -6.640902519226074,
        "relative_population": 0.42520555915219493
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)[O-]",
        "std_free_energy": -6.942342281341553,
        "relative_population": 0.5747944408478052
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.49000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]