[
  {
    "molid": "mol38494",
    "smiles": "CC(O)[C@H](N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](O)[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -12.003974914550781,
        "relative_population": 0.9999624760166682
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@@H](O)[C@H]([NH3+])C(=O)O",
        "std_free_energy": -1.6813734769821167,
        "relative_population": 0.9955457409289155
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.21000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]