[
  {
    "molid": "mol36920",
    "smiles": "O=C(OCCOCCO)c1cc(C(=O)OCCOCCO)[nH]n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(OCCOCCO)c1cc(C(=O)OCCOCCO)[nH]n1",
        "std_free_energy": -6.281755447387695,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(OCCOCCO)c1cc(C(=O)OCCOCCO)[n-]n1",
        "std_free_energy": -1.6337385177612305,
        "relative_population": 0.9996796591269879
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8100004196167,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]