[
  {
    "molid": "mol32486",
    "smiles": "O=C(O)C1OC1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1O[C@H]1C(=O)O",
        "std_free_energy": 4.165531635284424,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1O[C@H]1C(=O)O",
        "std_free_energy": -7.657914161682129,
        "relative_population": 0.9976597503645939
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H]1O[C@H]1C(=O)[O-]",
        "std_free_energy": -15.461579322814941,
        "relative_population": 0.999996448306931
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.94000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.92999994754791,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]