[
  {
    "molid": "mol38401",
    "smiles": "ClCCN(CCCl)CCN(Cc1ccccc1)Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "ClCCN(CCCl)CCN(Cc1ccccc1)Cc1ccccc1",
        "std_free_energy": -5.861324310302734,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "ClCCN(CCCl)CC[NH+](Cc1ccccc1)Cc1ccccc1",
        "std_free_energy": -8.460371017456055,
        "relative_population": 0.860860724003301
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "ClCC[NH+](CCCl)CCN(Cc1ccccc1)Cc1ccccc1",
        "std_free_energy": -6.637913703918457,
        "relative_population": 0.13913927599669892
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]