[
  {
    "molid": "mol15410",
    "smiles": "COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@H](NCC[C@]314)[C@H]2O",
    "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": -3.4258005619049072,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@H]([NH2+]CC[C@]314)[C@H]2O",
        "std_free_energy": -8.478580474853516,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.72,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]