[
  {
    "molid": "mol20647",
    "smiles": "CC(=O)Nc1ccc2nc(F)ccc2c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)Nc1ccc2[nH+]c(F)ccc2c1",
        "std_free_energy": 5.806885242462158,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC(=[OH+])Nc1ccc2[nH+]c(F)ccc2c1",
        "std_free_energy": 17.79782485961914,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.39,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]