[
  {
    "molid": "mol36646",
    "smiles": "COCC(=O)/C=C(\\O)COC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCC(=O)/C=C(\\O)COC",
        "std_free_energy": -3.8606200218200684,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COCC(=O)/C=C(\\[O-])COC",
        "std_free_energy": -2.578747034072876,
        "relative_population": 0.8834445730154121
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CO[CH-]/C(O)=C/C(=O)COC",
        "std_free_energy": -0.30939364433288574,
        "relative_population": 0.09132962040183733
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]