[
  {
    "molid": "mol37372",
    "smiles": "Oc1c(CN(C2CCCCC2)C2CCCCC2)ccc2cccnc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1c(CN(C2CCCCC2)C2CCCCC2)ccc2cccnc12",
        "std_free_energy": -2.6732163429260254,
        "relative_population": 0.060286431492886865
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1c(C[NH+](C2CCCCC2)C2CCCCC2)ccc2cccnc12",
        "std_free_energy": -5.417721271514893,
        "relative_population": 0.9378706036596677
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(CN(C2CCCCC2)C2CCCCC2)ccc2cccnc12",
        "std_free_energy": 5.569880485534668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4499998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]