[
  {
    "molid": "mol34552",
    "smiles": "c1ccc(-c2nnn(Cc3nnnn3Cc3nnn[nH]3)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2nnn(Cc3nnnn3Cc3nnn[nH]3)n2)cc1",
        "std_free_energy": -3.5836620330810547,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "c1ccc(-c2nnn(Cc3nnnn3Cc3nnn[n-]3)n2)cc1",
        "std_free_energy": -9.62283706665039,
        "relative_population": 0.9983867372435407
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.02999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]