[
  {
    "molid": "mol13672",
    "smiles": "Cn1ccnc1N=[N+]=[N-]",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 4.0500002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]