[
  {
    "molid": "mol36400",
    "smiles": "CN(C)c1ccc(N=Nc2ccc(Cl)c(Cl)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(N=Nc2ccc(Cl)c(Cl)c2)cc1",
        "std_free_energy": -7.567105293273926,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(N=Nc2ccc(Cl)c(Cl)c2)cc1",
        "std_free_energy": 0.7632061243057251,
        "relative_population": 0.7090952223358038
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(N=[NH+]c2ccc(Cl)c(Cl)c2)cc1",
        "std_free_energy": 1.6541999578475952,
        "relative_population": 0.29090477766419626
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.86000001430511,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]