[
  {
    "molid": "mol37260",
    "smiles": "C[C@H](N)C(=O)NCCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]([NH3+])C(=O)NCCC(=O)[O-]",
        "std_free_energy": -10.7694091796875,
        "relative_population": 0.9998431412327842
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]([NH3+])C(=O)NCCC(=O)O",
        "std_free_energy": -4.502100944519043,
        "relative_population": 0.9931149265305423
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.78000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]