[
  {
    "molid": "mol33737",
    "smiles": "COc1ccc2c3c1OC1C(O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314",
        "std_free_energy": -4.594725608825684,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)[NH+](C)CC[C@]314",
        "std_free_energy": -7.838239669799805,
        "relative_population": 0.999264745783114
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]