[
  {
    "molid": "mol36732",
    "smiles": "O=C(O)c1ccccc1/N=N/C1C(=O)NC(=S)NC1=O",
    "microspecies": [
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1/N=N/C1C(=O)NC(=S)NC1=O",
        "std_free_energy": -3.2769439220428467,
        "relative_population": 0.9993441635847439
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1/N=N/C1C(=O)NC(=S)NC1=O",
        "std_free_energy": -9.707362174987793,
        "relative_population": 0.9128688706828796
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C(O)c1ccccc1/N=N/[c-]1c(=O)[nH]c(=S)[nH]c1=O",
        "std_free_energy": -7.058143615722656,
        "relative_population": 0.06454571202521218
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]