[
  {
    "molid": "mol32607",
    "smiles": "OCC(O)C(O)C(O)C(O)c1nc2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1",
        "std_free_energy": -7.049141883850098,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC[C@@H](O)[C@@H](O)[C@@H]([OH2+])[C@H](O)c1nc2ccccc2[nH]1",
        "std_free_energy": -1.9069143533706665,
        "relative_population": 0.07554466145311256
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H]([OH2+])c1nc2ccccc2[nH]1",
        "std_free_energy": -1.8837803602218628,
        "relative_population": 0.07381707184289692
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "OC[C@@H](O)[C@@H]([OH2+])[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1",
        "std_free_energy": -2.006765365600586,
        "relative_population": 0.08347732482683821
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)c1[nH]c2ccccc2[nH+]1",
        "std_free_energy": -4.130500316619873,
        "relative_population": 0.6980634401066849
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2800002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]