[
  {
    "molid": "mol26984",
    "smiles": "COC1=C/C(=N/CCc2ccccc2)CCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC1=C/C(=N/CCc2ccccc2)CCC1",
        "std_free_energy": -2.098602771759033,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC1=C/C(=[NH+]/CCc2ccccc2)CCC1",
        "std_free_energy": -7.96173095703125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]