[
  {
    "molid": "mol686",
    "smiles": "O=C1C[C@H](S)C(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@H](S)C(=O)N1",
        "std_free_energy": -4.190093040466309,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C@H]([S-])C(=O)N1",
        "std_free_energy": -3.690995454788208,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]