[
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    "molid": "mol37628",
    "smiles": "O=C(O)C[C@H]1[C@@H]2C[C@H]([C@@H]1C(=O)O)[C@H]1[C@H]3CC[C@H](C3)[C@@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@H]1[C@@H]2C[C@H]([C@@H]1C(=O)O)[C@H]1[C@H]3CC[C@H](C3)[C@@H]21",
        "std_free_energy": -2.131960868835449,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
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        "smiles": "O=C([O-])C[C@H]1[C@@H]2C[C@H]([C@@H]1C(=O)O)[C@H]1[C@H]3CC[C@H](C3)[C@@H]21",
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      {
        "id": "-1_2",
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        "smiles": "O=C(O)C[C@H]1[C@@H]2C[C@H]([C@@H]1C(=O)[O-])[C@H]1[C@H]3CC[C@H](C3)[C@@H]21",
        "std_free_energy": -8.329325675964355,
        "relative_population": 0.5996724297434899
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]