[
  {
    "molid": "mol17280",
    "smiles": "O=C1C=C(O)CC1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=C(O)C[C@@H]1Cc1ccccc1",
        "std_free_energy": -3.456611156463623,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=C([O-])C[C@@H]1Cc1ccccc1",
        "std_free_energy": -5.195330619812012,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]