[
  {
    "molid": "mol37641",
    "smiles": "C[C@@H](N)C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]([NH3+])C(=O)NCC(=O)[O-]",
        "std_free_energy": -11.562435150146484,
        "relative_population": 0.9999562730845795
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@@H]([NH3+])C(=O)NCC(=O)O",
        "std_free_energy": -3.108377456665039,
        "relative_population": 0.9890078841003508
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]