[
  {
    "molid": "mol35607",
    "smiles": "Cc1ccc(N=Nc2c(N)nn3c(O)cc(C)nc23)cc1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1ccc(N=Nc2c(N)nn3c(O)cc(C)nc23)cc1",
        "std_free_energy": -6.917420387268066,
        "relative_population": 0.9999894015623768
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(N=Nc2c(N)nn3c([O-])cc(C)nc23)cc1",
        "std_free_energy": -2.652477264404297,
        "relative_population": 0.9911882558701582
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]