[
  {
    "molid": "mol18535",
    "smiles": "Clc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1",
        "std_free_energy": -3.060609817504883,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1cccc(Cl)c1CO/N=C/C1CC[NH+](CCCc2ccccc2)CC1",
        "std_free_energy": -8.809666633605957,
        "relative_population": 0.9875608535662863
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]