[
  {
    "molid": "mol18596",
    "smiles": "C[N+](C)=[N+]=Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 7.13,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]