[
  {
    "molid": "mol9872",
    "smiles": "O=S(O)c1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[S@](O)c1cccc(Cl)c1",
        "std_free_energy": -1.0190212726593018,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[S@]([O-])c1cccc(Cl)c1",
        "std_free_energy": -12.478719711303711,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]