[
  {
    "molid": "mol38012",
    "smiles": "c1ccc(N=Nc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(N=Nc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1",
        "std_free_energy": -6.74809455871582,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ccc(N=Nc2nc(-c3ccccc3)c(-c3ccccc3)[n-]2)cc1",
        "std_free_energy": 0.06004372239112854,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.78999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]