[
  {
    "molid": "mol37505",
    "smiles": "O=C(NCCN(CCNC(=O)c1cc(S(=O)(=O)O)c2cccnc2c1O)CCNC(=O)c1cc(S(=O)(=O)O)c2cccnc2c1O)c1cc(S(=O)(=O)O)cc(O)c1O",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]