[
  {
    "molid": "mol33813",
    "smiles": "CC(C)(CC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(CC(=O)O)C(=O)O",
        "std_free_energy": -2.8158762454986572,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
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        "smiles": "CC(C)(CC(=O)O)C(=O)[O-]",
        "std_free_energy": -8.168551445007324,
        "relative_population": 0.3632142288124284
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(CC(=O)[O-])C(=O)O",
        "std_free_energy": -8.729991912841797,
        "relative_population": 0.6367857711875716
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(CC(=O)[O-])C(=O)[O-]",
        "std_free_energy": -10.21560287475586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9300000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.15000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.40000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]