[
  {
    "molid": "mol10316",
    "smiles": "O=S(=O)(O)c1cc(O)c2[nH]ncc2c1",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(O)c2[nH]ncc2c1",
        "std_free_energy": -6.729612350463867,
        "relative_population": 0.9818486912627465
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(O)c2[n-]ncc2c1",
        "std_free_energy": -1.360963225364685,
        "relative_population": 0.1011950441670005
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc([O-])c2[nH]ncc2c1",
        "std_free_energy": -3.5449233055114746,
        "relative_population": 0.8987544542915168
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]