[
  {
    "molid": "mol37995",
    "smiles": "C[S+](C)c1c(Br)cc(O)cc1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[S+](C)c1c(Br)cc([O-])cc1Br",
        "std_free_energy": -3.1299941539764404,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[S+](C)c1c(Br)cc(O)cc1Br",
        "std_free_energy": -3.700045585632324,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]