[
  {
    "molid": "mol22304",
    "smiles": "O=C(O)CCC(=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCC(=O)C(=O)O",
        "std_free_energy": 0.5156663656234741,
        "relative_population": 1.0
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        "smiles": "O=C([O-])CCC(=O)C(=O)O",
        "std_free_energy": -8.210561752319336,
        "relative_population": 0.2270109801980125
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        "id": "-1_2",
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        "smiles": "O=C(O)CCC(=O)C(=O)[O-]",
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        "relative_population": 0.7729890198019875
      },
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        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCC(=O)C(=O)[O-]",
        "std_free_energy": -14.488956451416016,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
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        "pka_value": 2.14000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.47000002861023,
        "charge_state_pre": 0,
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.67999982833862,
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        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.6399998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.965,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]