pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Novartis	1	0	COc1ccc(-c2cnc3c(-c4cccc5ncccc45)c[nH+]n3c2)cc1,COc1ccc(-c2c[nH+]c3c(-c4cccc5ncccc45)cnn3c2)cc1,COc1ccc(-c2cnc3c(-c4cccc5[nH+]cccc45)cnn3c2)cc1	COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1	mol2848	COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1