[
  {
    "molid": "mol34520",
    "smiles": "O=C(CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1",
        "std_free_energy": -4.6881890296936035,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([CH-]S(=O)(=O)c1ccccc1)c1ccc(Br)cc1",
        "std_free_energy": -1.6800742149353027,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.56999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]