[
  {
    "molid": "mol5170",
    "smiles": "C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc12",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 7.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]