[
  {
    "molid": "mol26845",
    "smiles": "C/C(O)=C/C(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(O)=C/C(=O)c1ccccc1",
        "std_free_energy": -5.208100318908691,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C([O-])=C/C(=O)c1ccccc1",
        "std_free_energy": -1.4681663513183594,
        "relative_population": 0.37424872207098886
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]/C(O)=C/C(=O)c1ccccc1",
        "std_free_energy": -1.982198715209961,
        "relative_population": 0.6257512779290112
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]