[
  {
    "molid": "mol34708",
    "smiles": "CC(=O)CN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)CN(CC(=O)O)CC(=O)O",
        "std_free_energy": -2.1767852306365967,
        "relative_population": 0.14688609878324818
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)C[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": -3.936020851135254,
        "relative_population": 0.8531139012167519
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -13.1257905960083,
        "relative_population": 0.9729918568940269
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]