[
  {
    "molid": "mol35114",
    "smiles": "C[C@](O)(C[C@H](N)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@](O)(C[C@H]([NH3+])C(=O)[O-])C(=O)O",
        "std_free_energy": -8.303204536437988,
        "relative_population": 0.8727043652874424
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@](O)(C[C@H]([NH3+])C(=O)O)C(=O)[O-]",
        "std_free_energy": -6.375650405883789,
        "relative_population": 0.12698166750068082
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@](O)(C[C@H]([NH3+])C(=O)O)C(=O)O",
        "std_free_energy": 0.47043371200561523,
        "relative_population": 0.9676073379984118
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.85000002384186,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]