[
  {
    "molid": "mol36999",
    "smiles": "CN(C)C(=Nc1c(Cl)cccc1Cl)N1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C(=Nc1c(Cl)cccc1Cl)N1CCOCC1",
        "std_free_energy": -4.321281433105469,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C(=[NH+]c1c(Cl)cccc1Cl)N1CCOCC1",
        "std_free_energy": -5.727461814880371,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]