[
  {
    "molid": "mol28330",
    "smiles": "CN1C(=O)CS(=O)(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)CS(=O)(=O)NC1=O",
        "std_free_energy": -1.6948813199996948,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)CS(=O)(=O)[N-]C1=O",
        "std_free_energy": -11.20633602142334,
        "relative_population": 0.9820173270350048
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.63,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]