[
  {
    "molid": "mol35054",
    "smiles": "CC(C)=C(C(=O)O)C1=C(c2ccccc2)c2ccccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)=C(C(=O)O)C1=C(c2ccccc2)c2ccccc2C1=O",
        "std_free_energy": -2.908581495285034,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)=C(C(=O)[O-])C1=C(c2ccccc2)c2ccccc2C1=O",
        "std_free_energy": -9.203409194946289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]