[
  {
    "molid": "mol31265",
    "smiles": "OC1C2OC3OC1C(O)(C(F)(F)F)C(O3)C2O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-][C@]1(C(F)(F)F)[C@@H]2O[C@H]3O[C@@H]([C@H]2O)[C@@H](O)[C@@H]1O3",
        "std_free_energy": -2.317206621170044,
        "relative_population": 0.9977042975630009
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-][C@@H]1[C@@H]2O[C@@H]3O[C@H]1[C@](O)(C(F)(F)F)[C@@H](O3)[C@@H]2[O-]",
        "std_free_energy": 7.467008113861084,
        "relative_population": 0.5025046854317471
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-][C@@H]1[C@H]2O[C@@H]3O[C@H]([C@@H]2O)[C@]([O-])(C(F)(F)F)[C@H]1O3",
        "std_free_energy": 7.47702693939209,
        "relative_population": 0.49749531456825274
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]