[
  {
    "molid": "mol37380",
    "smiles": "Oc1c(O)c(CN2CCCC2)c2ccccc2c1CN1CCCC1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1c(O)c(CN2CCCC2)c2ccccc2c1CN1CCCC1",
        "std_free_energy": 4.061205863952637,
        "relative_population": 0.9525086395768821
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c([O-])c(CN2CCCC2)c2ccccc2c1CN1CCCC1",
        "std_free_energy": 14.922828674316406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.460000038147,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]