pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.07	Datawarrior	0	-1	Nc1ccc(-c2ccc(/[NH+]=C\c3ccccc3[O-])cc2)cc1,Nc1ccc(-c2ccc(/N=C\c3ccccc3O)cc2)cc1	Nc1ccc(-c2ccc(/N=C\c3ccccc3[O-])cc2)cc1	mol15033	Nc1ccc(-c2ccc(/N=C/c3ccccc3O)cc2)cc1
7.68	Datawarrior	0	-1	Nc1ccc(-c2ccc(/[NH+]=C\c3ccccc3[O-])cc2)cc1,Nc1ccc(-c2ccc(/N=C\c3ccccc3O)cc2)cc1	Nc1ccc(-c2ccc(/N=C\c3ccccc3[O-])cc2)cc1	mol15033	Nc1ccc(-c2ccc(/N=C/c3ccccc3O)cc2)cc1
4.75	Datawarrior	1	0	[NH3+]c1ccc(-c2ccc(/N=C\c3ccccc3O)cc2)cc1,Nc1ccc(-c2ccc(/[NH+]=C\c3ccccc3O)cc2)cc1	Nc1ccc(-c2ccc(/[NH+]=C\c3ccccc3[O-])cc2)cc1,Nc1ccc(-c2ccc(/N=C\c3ccccc3O)cc2)cc1	mol15033	Nc1ccc(-c2ccc(/N=C/c3ccccc3O)cc2)cc1