[
  {
    "molid": "mol32843",
    "smiles": "N#CC(C#N)=Cc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#CC(C#N)=Cc1ccc(O)cc1",
        "std_free_energy": -4.650343894958496,
        "relative_population": 0.9999999860440703
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#CC(C#N)=Cc1ccc([O-])cc1",
        "std_free_energy": -3.1970460414886475,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.94000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]