[
  {
    "molid": "mol36301",
    "smiles": "O=C(O)C[C@@H]1CCC[C@H]1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@@H]1CCC[C@H]1C(=O)O",
        "std_free_energy": -2.618391990661621,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C[C@@H]1CCC[C@H]1C(=O)[O-]",
        "std_free_energy": -8.213359832763672,
        "relative_population": 0.4960287452378932
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[C@@H]1CCC[C@H]1C(=O)O",
        "std_free_energy": -8.22924518585205,
        "relative_population": 0.5039712547621068
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]