[
  {
    "molid": "mol36418",
    "smiles": "CN(C)c1ccccc1S(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccccc1S(=O)(=O)[O-]",
        "std_free_energy": -6.415390968322754,
        "relative_population": 0.9543577908833083
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccccc1S(=O)(=O)[O-]",
        "std_free_energy": -9.79686450958252,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.96000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.6800000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]