[
  {
    "molid": "mol37270",
    "smiles": "C[C@H](N)C(O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]([NH3+])[C@@H](O)CC(=O)[O-]",
        "std_free_energy": -11.061698913574219,
        "relative_population": 0.9999347718555078
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](N)[C@@H](O)CC(=O)[O-]",
        "std_free_energy": -4.580160140991211,
        "relative_population": 0.9999946824173389
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.77999973297119,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]