[
  {
    "molid": "mol32994",
    "smiles": "O=C(O)C1C2CC(C1C(=O)O)C1C3CCC(C3)C21",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[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": -8.366323471069336,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[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": -10.088851928710938,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.84,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.51999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.15999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]