[
  {
    "molid": "mol35608",
    "smiles": "Cc1ccc(N=Nc2sc3nc(C)cc(C)c3c2O)cc1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1ccc(N=Nc2sc3nc(C)cc(C)c3c2O)cc1",
        "std_free_energy": -5.8358683586120605,
        "relative_population": 0.9989997893931556
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(N=Nc2sc3nc(C)cc(C)c3c2[O-])cc1",
        "std_free_energy": -2.97721529006958,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]