[
  {
    "molid": "mol34326",
    "smiles": "Cc1nn(-c2ccccc2)c(S)c1C=O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1nn(-c2ccccc2)c(S)c1C=O",
        "std_free_energy": -5.838723659515381,
        "relative_population": 0.9999980597573738
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nn(-c2ccccc2)c([S-])c1C=O",
        "std_free_energy": -4.772738456726074,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.76999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]