[
  {
    "molid": "mol28329",
    "smiles": "CC1C(=O)NC(=O)NS1(=O)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1C(=O)NC(=O)NS1(=O)=O",
        "std_free_energy": -1.7547290325164795,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1C(=O)NC(=O)[N-]S1(=O)=O",
        "std_free_energy": -10.617679595947266,
        "relative_population": 0.9754897140856734
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.89,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]