[
  {
    "molid": "mol34313",
    "smiles": "Cc1ccc(SC2=CC(=O)C(O)=CC2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(SC2=CC(=O)C(O)=CC2=O)cc1",
        "std_free_energy": -1.7630350589752197,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(SC2=CC(=O)C([O-])=CC2=O)cc1",
        "std_free_energy": -7.749553680419922,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.52999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]