[
  {
    "molid": "mol38624",
    "smiles": "COCC(=O)C=C(O)COC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCC(=O)C=C(O)COC",
        "std_free_energy": -3.8606176376342773,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COCC(=O)C=C([O-])COC",
        "std_free_energy": -2.364938259124756,
        "relative_population": 0.8245229025474287
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CO[CH-]C(O)=CC(=O)COC",
        "std_free_energy": -0.6359398365020752,
        "relative_population": 0.1463215352570425
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]