[
  {
    "molid": "mol34852",
    "smiles": "COc1cccc2c(-c3ccccc3)nc(C)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc2c(-c3ccccc3)nc(C)cc12",
        "std_free_energy": -5.039867877960205,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc2c(-c3ccccc3)[nH+]c(C)cc12",
        "std_free_energy": -2.7335991859436035,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.90999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]