[
  {
    "molid": "mol14408",
    "smiles": "O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5C2[C@@]3(S(=O)(=O)O)C[C@H]46",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 7.53,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]