[
  {
    "molid": "mol32558",
    "smiles": "N#CC1CCCCC1C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N#C[C@H]1CCCC[C@H]1C(=O)O",
        "std_free_energy": -3.520153522491455,
        "relative_population": 0.9999937483499104
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#C[C@H]1CCCC[C@H]1C(=O)[O-]",
        "std_free_energy": -9.784637451171875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8599999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.86,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.85999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]