[
  {
    "molid": "mol37039",
    "smiles": "OC[C@H]1O[C@@H](Oc2cc3ccc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)[o+]c2c1",
        "std_free_energy": -3.1971044540405273,
        "relative_population": 0.6865255510763199
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "[O-]c1ccc(-c2[o+]c3cc(O)ccc3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1",
        "std_free_energy": -2.4126980304718018,
        "relative_population": 0.31332375603586726
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC[C@H]1O[C@@H](Oc2cc3ccc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": 1.1869841814041138,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]