[
  {
    "molid": "mol21339",
    "smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N=[N+]=[N-])cc2nc2c(C)cccc12",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 7.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]