[
  {
    "molid": "mol35872",
    "smiles": "CCOC(=O)/C=C1\\SC(=O)C(O)=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)/C=C1\\SC(=O)C(O)=C1O",
        "std_free_energy": -2.7437782287597656,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)/C=C1\\SC(=O)C(O)=C1[O-]",
        "std_free_energy": -6.531923294067383,
        "relative_population": 0.8333475096874564
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)/C=C1\\SC(=O)C([O-])=C1O",
        "std_free_energy": -4.9223833084106445,
        "relative_population": 0.16665249031254356
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.94999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]