[
  {
    "molid": "mol36250",
    "smiles": "CN(C)CS(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)CS(=O)(=O)[O-]",
        "std_free_energy": -9.980646133422852,
        "relative_population": 0.9995762267684943
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)CS(=O)(=O)[O-]",
        "std_free_energy": -10.376622200012207,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.05000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]