[
  {
    "molid": "mol34955",
    "smiles": "CC1=NN(c2ccccc2)C(=O)C1SC(=N)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=NN(c2ccccc2)C(=O)[C@@H]1SC(=N)N",
        "std_free_energy": -3.6366405487060547,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1nn(-c2ccccc2)c(=O)[c-]1SC(=N)N",
        "std_free_energy": -1.0669457912445068,
        "relative_population": 0.993981427604708
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]