[
  {
    "molid": "mol8503",
    "smiles": "COC(=O)C[C@H](N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)C[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -11.835484504699707,
        "relative_population": 0.9999810459301797
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C[C@H](N)C(=O)[O-]",
        "std_free_energy": -6.36983585357666,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]