[
  {
    "molid": "mol38460",
    "smiles": "NCCCNCCCNCCCNCCCNCCCN",
    "microspecies": [
      {
        "id": "5_1",
        "charge": 5,
        "smiles": "NCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -17.468048095703125,
        "relative_population": 0.3514480477797492
      },
      {
        "id": "5_2",
        "charge": 5,
        "smiles": "[NH3+]CCCNCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -17.55913543701172,
        "relative_population": 0.38496377546335964
      },
      {
        "id": "5_3",
        "charge": 5,
        "smiles": "[NH3+]CCC[NH2+]CCCNCCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -17.180374145507812,
        "relative_population": 0.26358817675689106
      },
      {
        "id": "6_1",
        "charge": 6,
        "smiles": "[NH3+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -19.110015869140625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": 6,
        "charge_state_post": 5,
        "data_source": "QSARToolbox"
      }
    ]
  }
]