[
  {
    "molid": "mol35753",
    "smiles": "N#CC1CCCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#C[C@@H]1CCCC1=O",
        "std_free_energy": -3.2978811264038086,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N#C[C@@H]1CC[CH-]C1=O",
        "std_free_energy": -1.511547327041626,
        "relative_population": 0.953511975004994
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.84000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]