[
  {
    "molid": "mol15423",
    "smiles": "O=C1C(O)=C(/C=C/c2ccccc2)C(=O)c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(O)=C(/C=C/c2ccccc2)C(=O)c2ccccc21",
        "std_free_energy": -2.3254804611206055,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C([O-])=C(/C=C/c2ccccc2)C(=O)c2ccccc21",
        "std_free_energy": -7.4426469802856445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]