[
  {
    "molid": "mol35494",
    "smiles": "N[C@H]1CCC[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@H]1CCC[C@H]1O",
        "std_free_energy": -2.430102586746216,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H]1CCC[C@H]1O",
        "std_free_energy": -9.28615665435791,
        "relative_population": 0.9991411100555009
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]