[
  {
    "molid": "mol34595",
    "smiles": "C1CNCCNCCOCCNC1",
    "microspecies": [
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C1C[NH2+]CCNCCOCC[NH2+]C1",
        "std_free_energy": -10.593486785888672,
        "relative_population": 0.15414369567408295
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C1CNCC[NH2+]CCOCC[NH2+]C1",
        "std_free_energy": -12.260154724121094,
        "relative_population": 0.8161133008301782
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1C[NH2+]CC[NH2+]CCOCC[NH2+]C1",
        "std_free_energy": -8.492027282714844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.77999997138977,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]