[
  {
    "molid": "mol2482",
    "smiles": "O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21",
        "std_free_energy": 17.095256805419922,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -11.721658706665039,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.378,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      },
      {
        "pka_value": 0.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 0.379999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]