pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.83	Datawarrior	1	0	CC(C)N/C=[NH+]/c1ccc(-c2cncn2C)cc1,CC(C)N/C=N/c1ccc(-c2c[nH+]cn2C)cc1	CC(C)N/C=N/c1ccc(-c2cncn2C)cc1	mol14907	CC(C)N/C=N/c1ccc(-c2cncn2C)cc1
8.8299999	OCHEM	1	0	CC(C)N/C=[NH+]/c1ccc(-c2cncn2C)cc1,CC(C)N/C=N/c1ccc(-c2c[nH+]cn2C)cc1	CC(C)N/C=N/c1ccc(-c2cncn2C)cc1	mol14907	CC(C)N/C=N/c1ccc(-c2cncn2C)cc1
6.51	Datawarrior	2	1	CC(C)N/C=[NH+]/c1ccc(-c2c[nH+]cn2C)cc1	CC(C)N/C=[NH+]/c1ccc(-c2cncn2C)cc1,CC(C)N/C=N/c1ccc(-c2c[nH+]cn2C)cc1	mol14907	CC(C)N/C=N/c1ccc(-c2cncn2C)cc1
6.51000022888184	QSARToolbox	2	1	CC(C)N/C=[NH+]/c1ccc(-c2c[nH+]cn2C)cc1	CC(C)N/C=[NH+]/c1ccc(-c2cncn2C)cc1,CC(C)N/C=N/c1ccc(-c2c[nH+]cn2C)cc1	mol14907	CC(C)N/C=N/c1ccc(-c2cncn2C)cc1