[
  {
    "molid": "mol14409",
    "smiles": "O=C1C[C@@H]2OCC=C3C(S(=O)(=O)O)N4CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]