[
  {
    "molid": "mol37738",
    "smiles": "CC(O)COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](O)COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1",
        "std_free_energy": -5.051581382751465,
        "relative_population": 0.9207834805711036
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](O)COC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1",
        "std_free_energy": -7.759725093841553,
        "relative_population": 0.9977032529286453
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.13000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]