[
  {
    "molid": "mol34751",
    "smiles": "CC(C)Nc1ccccc1S(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)Nc1ccccc1S(=O)(=O)O",
        "std_free_energy": -3.3277478218078613,
        "relative_population": 0.9904684578518305
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)Nc1ccccc1S(=O)(=O)[O-]",
        "std_free_energy": -9.450111389160156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.19000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.02999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.89000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]