[
  {
    "molid": "mol32655",
    "smiles": "CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@H]3[C@@H]1C5",
        "std_free_energy": -4.674927234649658,
        "relative_population": 0.8705428409539113
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+]1CC[C@@]23c4c5ccc([O-])c4O[C@H]2C(=O)CC[C@@H]3[C@@H]1C5",
        "std_free_energy": -2.769160270690918,
        "relative_population": 0.12945715904608868
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+]1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@H]3[C@@H]1C5",
        "std_free_energy": -7.968484878540039,
        "relative_population": 0.995263352201313
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9699998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]