[
  {
    "molid": "mol29766",
    "smiles": "OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1",
        "std_free_energy": -7.380969047546387,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][C@H]1[C@H](Oc2ccc(CO)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": 6.997256278991699,
        "relative_population": 0.3306442935533471
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1",
        "std_free_energy": 7.865416526794434,
        "relative_population": 0.1387790233292756
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]C[C@H]1O[C@@H](Oc2ccc(CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": 7.801551342010498,
        "relative_population": 0.14793131714200633
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-][C@@H]1[C@@H](O)[C@H](Oc2ccc(CO)cc2)O[C@H](CO)[C@H]1O",
        "std_free_energy": 7.662606716156006,
        "relative_population": 0.16998202880294686
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "[O-][C@H]1[C@H](O)[C@@H](O)[C@H](Oc2ccc(CO)cc2)O[C@@H]1CO",
        "std_free_energy": 7.438589096069336,
        "relative_population": 0.2126633371724241
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]