[
  {
    "molid": "mol35835",
    "smiles": "CCNc1ccccc1S(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCNc1ccccc1S(=O)(=O)O",
        "std_free_energy": -2.2449796199798584,
        "relative_population": 0.9757119216414485
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCNc1ccccc1S(=O)(=O)[O-]",
        "std_free_energy": -10.352901458740234,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.92000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.75999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.63000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]