[
  {
    "molid": "mol33414",
    "smiles": "NCCC1CCC(O)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCC[C@H]1CC[C@H](O)CC1",
        "std_free_energy": -0.5878850221633911,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]CC[C@H]1CC[C@H](O)CC1",
        "std_free_energy": -9.610069274902344,
        "relative_population": 0.9992116075057796
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.77,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]