[
  {
    "molid": "mol33895",
    "smiles": "NC(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]C(CC(=O)[O-])CC(=O)O",
        "std_free_energy": -7.34378719329834,
        "relative_population": 0.9996075072523244
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]C(CC(=O)O)CC(=O)O",
        "std_free_energy": 0.9070473909378052,
        "relative_population": 0.9983909084329848
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.29999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]