[
  {
    "molid": "mol26802",
    "smiles": "CC(=O)CS(=O)(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)CS(=O)(=O)[O-]",
        "std_free_energy": -12.153467178344727,
        "relative_population": 0.9967392779328429
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)[CH-]S(=O)(=O)[O-]",
        "std_free_energy": -7.220693588256836,
        "relative_population": 0.9916117808787618
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]