[
  {
    "molid": "mol32840",
    "smiles": "CCc1cc(C=C(C#N)C#N)cc(CC)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cc(C=C(C#N)C#N)cc(CC)c1O",
        "std_free_energy": -5.023094177246094,
        "relative_population": 0.9999999947483623
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1cc(C=C(C#N)C#N)cc(CC)c1[O-]",
        "std_free_energy": -2.0306003093719482,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]