[
  {
    "molid": "mol36209",
    "smiles": "O=C1CN/N=C(/c2ccccc2)c2cc(Cl)ccc2N1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C1CN/[NH+]=C(/c2ccccc2)c2cc(Cl)ccc2N1",
        "std_free_energy": 0.6714418530464172,
        "relative_population": 0.197692358666281
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C1C[NH2+]/N=C(/c2ccccc2)c2cc(Cl)ccc2N1",
        "std_free_energy": -0.7171622514724731,
        "relative_population": 0.792598020115614
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "O=C1C[NH2+]/[NH+]=C(/c2ccccc2)c2cc(Cl)ccc2N1",
        "std_free_energy": 5.295818328857422,
        "relative_population": 0.9999958026545966
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]