[
  {
    "molid": "mol33007",
    "smiles": "CC(OC1CCCCC1C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)O",
        "std_free_energy": -3.151247262954712,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)[O-]",
        "std_free_energy": -9.756162643432617,
        "relative_population": 0.9999265700909173
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.65000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]