[
  {
    "molid": "mol36119",
    "smiles": "O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O",
        "std_free_energy": -1.6072428226470947,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCOCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O",
        "std_free_energy": -6.161866664886475,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.40999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]