[
  {
    "molid": "mol32679",
    "smiles": "COc1ccc2c(c1OC(C)=O)C13CCN(C)C(C2)C1CCC(OC)C3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1OC(C)=O)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CC[C@@H](OC)C3",
        "std_free_energy": -2.427420139312744,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2c(c1OC(C)=O)[C@@]13CC[NH+](C)[C@@H](C2)[C@@H]1CC[C@@H](OC)C3",
        "std_free_energy": -8.450721740722656,
        "relative_population": 0.9980310980590861
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3100004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]