[
  {
    "molid": "mol34004",
    "smiles": "OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][C@H]1[C@H](Oc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": 6.704761981964111,
        "relative_population": 0.502742161048995
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-][C@@H]1[C@@H](O)[C@H](Oc2ccccc2)O[C@H](CO)[C@H]1O",
        "std_free_energy": 7.87145471572876,
        "relative_population": 0.15655144885330416
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]C[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": 8.143448829650879,
        "relative_population": 0.11927009041965249
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-][C@H]1[C@H](O)[C@@H](O)[C@H](Oc2ccccc2)O[C@@H]1CO",
        "std_free_energy": 7.524704456329346,
        "relative_population": 0.2214362996780482
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]C[C@H]1O[C@@H](Oc2ccccc2)[C@H]([O-])[C@@H](O)[C@@H]1O",
        "std_free_energy": 9.93804931640625,
        "relative_population": 0.21634930164711572
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]C[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H]([O-])[C@@H]1O",
        "std_free_energy": 10.129547119140625,
        "relative_population": 0.17864425677655904
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[O-][C@@H]1[C@@H]([O-])[C@H](Oc2ccccc2)O[C@H](CO)[C@H]1O",
        "std_free_energy": 10.267842292785645,
        "relative_population": 0.15557085117284652
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "[O-][C@H]1[C@H]([O-])[C@@H](CO)O[C@@H](Oc2ccccc2)[C@@H]1O",
        "std_free_energy": 10.497306823730469,
        "relative_population": 0.12367247388265175
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "[O-]C[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1[O-]",
        "std_free_energy": 10.321256637573242,
        "relative_population": 0.14747916589204085
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "[O-][C@H]1[C@H](Oc2ccccc2)O[C@H](CO)[C@@H]([O-])[C@@H]1O",
        "std_free_energy": 10.131566047668457,
        "relative_population": 0.1782839506287859
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1199998855591,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]