[
  {
    "molid": "mol32998",
    "smiles": "CC1(C)C(C(=O)O)C1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)O",
        "std_free_energy": -1.3376600742340088,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)O",
        "std_free_energy": -9.09333610534668,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]",
        "std_free_energy": -11.838815689086914,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.33999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.12,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.8199999332428,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.32000017166138,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]