[
  {
    "molid": "mol26817",
    "smiles": "O=C1CCCS(=O)(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCCS(=O)(=O)C1",
        "std_free_energy": -3.883347988128662,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]S(=O)(=O)CCC1",
        "std_free_energy": -8.195160865783691,
        "relative_population": 0.999672689548674
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.03,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]