[
  {
    "molid": "mol34572",
    "smiles": "C1CNCCCNCCCNCCCNC1",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1CNCCC[NH2+]CCCNCCC[NH2+]C1",
        "std_free_energy": -13.766387939453125,
        "relative_population": 0.956011759847268
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1CNCCC[NH2+]CCC[NH2+]CCC[NH2+]C1",
        "std_free_energy": -13.402262687683105,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.05999994277954,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]