[
  {
    "molid": "mol32791",
    "smiles": "COc1ccc2c3c1OC1CCCC4C(NCCC314)C2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H](NCC[C@@]314)[C@@H]2O",
        "std_free_energy": -3.384580612182617,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H]([NH2+]CC[C@@]314)[C@@H]2O",
        "std_free_energy": -8.506707191467285,
        "relative_population": 0.9989611568079707
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9449997,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]