[
  {
    "molid": "mol93",
    "smiles": "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12",
        "std_free_energy": -3.5942039489746094,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCCOc1nn(Cc2ccccc2)c2ccccc12",
        "std_free_energy": -8.636940956115723,
        "relative_population": 0.9873238953018478
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]