[
  {
    "molid": "mol8632",
    "smiles": "COC[C@H]1OC(O)[C@H](N)[C@@H](OC)[C@@H]1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC[C@H]1O[C@H](O)[C@H](N)[C@@H](OC)[C@@H]1OC",
        "std_free_energy": -4.233335494995117,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC[C@H]1O[C@H](O)[C@H]([NH3+])[C@@H](OC)[C@@H]1OC",
        "std_free_energy": -7.398653507232666,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.92000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]