[
  {
    "molid": "mol36557",
    "smiles": "CNc1ccccc1S(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CNc1ccccc1S(=O)(=O)O",
        "std_free_energy": -1.439899206161499,
        "relative_population": 0.9929425799483512
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNc1ccccc1S(=O)(=O)[O-]",
        "std_free_energy": -10.683752059936523,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.58999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.45000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]