pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Datawarrior	1	0	c1ccc(NC(Nc2ccccc2)=[NH+]c2ccccc2)cc1	c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1	mol15044	c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1
9.1000004	OCHEM	1	0	c1ccc(NC(Nc2ccccc2)=[NH+]c2ccccc2)cc1	c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1	mol15044	c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1
9.10000038146973	QSARToolbox	1	0	c1ccc(NC(Nc2ccccc2)=[NH+]c2ccccc2)cc1	c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1	mol15044	c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1