[
  {
    "molid": "mol38400",
    "smiles": "ClCCN(CCCl)CCN(C1CCCCC1)C1CCCCC1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "ClCCN(CCCl)CC[NH+](C1CCCCC1)C1CCCCC1",
        "std_free_energy": -9.271512031555176,
        "relative_population": 0.9730116431046246
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "ClCC[NH+](CCCl)CC[NH+](C1CCCCC1)C1CCCCC1",
        "std_free_energy": -3.988933563232422,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.09999990463257,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]