[
  {
    "molid": "mol37245",
    "smiles": "C[C@H](C(=O)O)[S+]([O-])[C@H](C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](C(=O)[O-])[S+](O)[C@H](C)C(=O)O",
        "std_free_energy": -4.755409240722656,
        "relative_population": 0.9866342079454837
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "C[C@H](C(=O)[O-])[S+](O)[C@H](C)C(=O)[O-]",
        "std_free_energy": -11.837889671325684,
        "relative_population": 0.9615669370866692
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]