[
  {
    "molid": "mol32700",
    "smiles": "CN1CCC23c4c5ccc(OCc6ccccc6)c4OC2C(O)C=CC3C1C5",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CC[C@@]23c4c5ccc(OCc6ccccc6)c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@@H]1C5",
        "std_free_energy": -4.915575981140137,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1CC[C@@]23c4c5ccc(OCc6ccccc6)c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@@H]1C5",
        "std_free_energy": -8.096659660339355,
        "relative_population": 0.999439702128497
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0699997,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]