[
  {
    "molid": "mol34440",
    "smiles": "CC(C)CN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": -5.954139232635498,
        "relative_population": 0.9913602524594094
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -14.351637840270996,
        "relative_population": 0.9990684412502526
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.52999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]