[
  {
    "molid": "mol19542",
    "smiles": "N#Cc1ccc(Nc2c(O)c(=O)/c2=N\\c2ccccc2)c(O)c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "N#Cc1ccc(Nc2c(O)c(=O)/c2=N\\c2ccccc2)c(O)c1",
        "std_free_energy": -4.875275135040283,
        "relative_population": 0.9995691086870092
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N#Cc1ccc(Nc2c(O)c(=O)/c2=N\\c2ccccc2)c([O-])c1",
        "std_free_energy": -2.5642147064208984,
        "relative_population": 0.16302369806077163
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N#Cc1ccc(Nc2c([O-])c(=O)/c2=N\\c2ccccc2)c(O)c1",
        "std_free_energy": -4.1999006271362305,
        "relative_population": 0.8367969913074838
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]