[
  {
    "molid": "mol31262",
    "smiles": "O=C1OC(C(O)CO)C(O)=C1OS(=O)(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1O[C@H]([C@H](O)CO)C(O)=C1OS(=O)(=O)[O-]",
        "std_free_energy": -5.5254974365234375,
        "relative_population": 0.058591749315140065
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1O[C@H]([C@H](O)CO)C([O-])=C1OS(=O)(=O)O",
        "std_free_energy": -8.30228042602539,
        "relative_population": 0.9414082377898154
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C1O[C@H]([C@H](O)CO)C([O-])=C1OS(=O)(=O)[O-]",
        "std_free_energy": -9.094358444213867,
        "relative_population": 0.9999988218379215
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.11,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]