[
  {
    "molid": "mol5186",
    "smiles": "C=C[C@@]12CN(C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@@]1(C(O)=Nc4ccccc41)[C@@H]32",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 9.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]