[
  {
    "molid": "mol8622",
    "smiles": "CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](N)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](N)[C@@H]1O",
        "std_free_energy": -4.356803894042969,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H]([NH3+])[C@@H]1O",
        "std_free_energy": -8.287773132324219,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.58,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]