[
  {
    "molid": "mol37236",
    "smiles": "C[C@H](C[C@@H](N)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H](C[C@@H]([NH3+])C(=O)[O-])C(=O)O",
        "std_free_energy": -9.743453979492188,
        "relative_population": 0.998677338264918
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@H](C[C@@H]([NH3+])C(=O)O)C(=O)O",
        "std_free_energy": 0.27346688508987427,
        "relative_population": 0.9840267724882461
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.11999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]