[
  {
    "molid": "mol38461",
    "smiles": "NCCNCC(F)(F)CNCCN",
    "microspecies": [
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "[NH3+]CCNCC(F)(F)C[NH2+]CC[NH3+]",
        "std_free_energy": -13.698058128356934,
        "relative_population": 0.9978170467573331
      },
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "[NH3+]CC[NH2+]CC(F)(F)C[NH2+]CC[NH3+]",
        "std_free_energy": -8.850683212280273,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.42000007629395,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]