[
  {
    "molid": "mol36652",
    "smiles": "COCCNC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCCNC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -4.926754951477051,
        "relative_population": 1.0
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "COCC[NH2+]C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -7.760344982147217,
        "relative_population": 0.9108446732800529
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]