[
  {
    "molid": "mol11315",
    "smiles": "O=S(=O)(O)c1ccc(O)c2c(S(=O)(=O)O)cccc12",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1ccc([O-])c2c(S(=O)(=O)[O-])cccc12",
        "std_free_energy": -4.282706260681152,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(O)c2c(S(=O)(=O)[O-])cccc12",
        "std_free_energy": -12.346224784851074,
        "relative_population": 0.9992881362166335
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]