[
  {
    "molid": "mol30681",
    "smiles": "C[n+]1ccc(/N=N/c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1ccc(/N=N/c2ccc([O-])cc2)cc1",
        "std_free_energy": -3.7763211727142334,
        "relative_population": 0.9944419299773605
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1ccc(/N=N/c2ccc(O)cc2)cc1",
        "std_free_energy": -4.3228325843811035,
        "relative_population": 0.9999946687125686
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.31,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]