[
  {
    "molid": "mol35496",
    "smiles": "N[C@@H]1[C@@H]2OC[C@H](C[C@@H]1O)O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@@H]1[C@@H]2OC[C@H](C[C@@H]1O)O2",
        "std_free_energy": -4.5761494636535645,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1[C@@H]2OC[C@H](C[C@@H]1O)O2",
        "std_free_energy": -7.489305019378662,
        "relative_population": 0.9994175124355269
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82000017166138,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]