[
  {
    "molid": "mol37917",
    "smiles": "COCC(O)(COC)S(=O)(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COCC(O)(COC)S(=O)(=O)[O-]",
        "std_free_energy": -10.489501953125,
        "relative_population": 0.9999952356853302
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COCC([O-])(COC)S(=O)(=O)[O-]",
        "std_free_energy": 3.3611574172973633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.89000034332275,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]