[
  {
    "molid": "mol33760",
    "smiles": "O=S(=O)(O)c1ccc(O)c2c(O)cccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(O)c2c(O)cccc12",
        "std_free_energy": -5.96932315826416,
        "relative_population": 0.971077591987855
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc([O-])c2c(O)cccc12",
        "std_free_energy": -4.678242206573486,
        "relative_population": 0.6977163399875645
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(O)c2c([O-])cccc12",
        "std_free_energy": -3.841782569885254,
        "relative_population": 0.3022797743844337
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.32999992370606,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]