[
  {
    "molid": "mol34169",
    "smiles": "Oc1ccc(C=Nc2ncccn2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ccc(C=Nc2ncccn2)cc1",
        "std_free_energy": -7.292876720428467,
        "relative_population": 0.9997527824510151
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(C=Nc2ncccn2)cc1",
        "std_free_energy": -1.916589379310608,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]