[
  {
    "molid": "mol34272",
    "smiles": "CCSC(=O)CC(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCSC(=O)CC(C)=O",
        "std_free_energy": -4.926261901855469,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCSC(=O)[CH-]C(C)=O",
        "std_free_energy": 3.070807456970215,
        "relative_population": 0.9871053715186626
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.14000034332275,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]