[
  {
    "molid": "mol38549",
    "smiles": "O=C(O)C1CC(C(=O)O)CC(C(=O)O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@H]1C[C@H](C(=O)O)C[C@@H](C(=O)O)C1",
        "std_free_energy": -1.0790772438049316,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1C[C@@H](C(=O)O)C[C@@H](C(=O)O)C1",
        "std_free_energy": -6.547732830047607,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.79999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]