[
  {
    "molid": "mol35144",
    "smiles": "CCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O",
        "std_free_energy": -0.342603862285614,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC(COCC(=O)[O-])(COCC(=O)O)COCC(=O)O",
        "std_free_energy": -6.688587665557861,
        "relative_population": 0.9813766035675311
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]