[
  {
    "molid": "mol22533",
    "smiles": "O=C(O)C(O)(O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(O)(O)C(=O)O",
        "std_free_energy": -0.26144784688949585,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C(O)(O)C(=O)[O-]",
        "std_free_energy": -13.568461418151855,
        "relative_population": 1.0
      },
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C([O-])C([O-])([O-])C(=O)[O-]",
        "std_free_energy": 4.1059041023254395,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])C([O-])([O-])C(=O)O",
        "std_free_energy": 4.24355411529541,
        "relative_population": 0.15822258192533667
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([O-])C([O-])(O)C(=O)[O-]",
        "std_free_energy": 2.5720412731170654,
        "relative_population": 0.8417774180746633
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(O)(O)C(=O)O",
        "std_free_energy": -10.028554916381836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 13.1899995803833,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.19,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]