[
  {
    "molid": "mol34551",
    "smiles": "c1ccc(-c2nnn(Cc3nnn(Cc4nnn[nH]4)n3)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2nnn(Cc3nnn(Cc4nnn[nH]4)n3)n2)cc1",
        "std_free_energy": -3.5129897594451904,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ccc(-c2nnn(Cc3nnn(Cc4nnn[n-]4)n3)n2)cc1",
        "std_free_energy": -9.499093055725098,
        "relative_population": 0.9931696181994912
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9300000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]