[
  {
    "molid": "mol2301",
    "smiles": "CN1CCO[C@@H](c2ccccc2)c2ccccc2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCO[C@@H](c2ccccc2)c2ccccc2C1",
        "std_free_energy": -3.9236483573913574,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1CCO[C@@H](c2ccccc2)c2ccccc2C1",
        "std_free_energy": -7.666260719299316,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      },
      {
        "pka_value": 8.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Jensen"
      }
    ]
  }
]