[
  {
    "molid": "mol38465",
    "smiles": "C1CCNCCNCCNCCNCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CCNCCNCCNCCNCC1",
        "std_free_energy": 1.3974555730819702,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CCNCCNCCNCC[NH2+]CC1",
        "std_free_energy": -7.40540885925293,
        "relative_population": 0.6152960100138783
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C1CCNCCNCC[NH2+]CCNCC1",
        "std_free_energy": -6.935779571533203,
        "relative_population": 0.3847039899861216
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.82999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]