[
  {
    "molid": "mol34983",
    "smiles": "CCC(=O)/C=C(\\O)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(=O)/C=C(\\O)CC",
        "std_free_energy": -5.155322074890137,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(=O)/C=C(\\[O-])CC",
        "std_free_energy": -0.8300095796585083,
        "relative_population": 0.7918747185539888
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[CH-]/C(O)=C/C(=O)CC",
        "std_free_energy": 0.5062538385391235,
        "relative_population": 0.20812519079364047
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8100004196167,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]