[
  {
    "molid": "mol32400",
    "smiles": "CC(=O)C=C(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C=C(C)O",
        "std_free_energy": -4.9236860275268555,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C(O)=CC(C)=O",
        "std_free_energy": -1.22898268699646,
        "relative_population": 0.2931291329592539
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)C=C(C)[O-]",
        "std_free_energy": -2.109217405319214,
        "relative_population": 0.7068708366607963
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6399999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.9899997711182,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.83863019943237,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]