[
  {
    "molid": "mol36686",
    "smiles": "CO[C@H]1[C@H](O)[C@H](N)[C@@H]2OC[C@H]1O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H]1[C@H](O)[C@H](N)[C@@H]2OC[C@H]1O2",
        "std_free_energy": -4.447750568389893,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[C@H]1[C@H](O)[C@H]([NH3+])[C@@H]2OC[C@H]1O2",
        "std_free_energy": -7.187363147735596,
        "relative_population": 0.9973734781137746
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]