[
  {
    "molid": "mol32767",
    "smiles": "COc1ccc2c3c1OC1CCCC4C(C2O)N(C)CCC314",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c3c1O[C@@H]1CCC[C@@H]4[C@@H]([C@H]2O)N(C)CC[C@@]341",
        "std_free_energy": -4.2615556716918945,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2c3c1O[C@@H]1CCC[C@@H]4[C@@H]([C@H]2O)[NH+](C)CC[C@@]341",
        "std_free_energy": -8.154277801513672,
        "relative_population": 0.9988336195822097
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4099998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]