[
  {
    "molid": "mol36183",
    "smiles": "O=C(O)COC1COc2ccccc2OCCOCCOc2ccccc2OC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)COC1COc2ccccc2OCCOCCOc2ccccc2OC1",
        "std_free_energy": -3.020958423614502,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])COC1COc2ccccc2OCCOCCOc2ccccc2OC1",
        "std_free_energy": -9.759124755859375,
        "relative_population": 0.9999990761153057
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.55999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]