pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.89	Datawarrior	1	0	Cc1cc(C)n(-c2cccc[nH+]2)n1,Cc1cc(C)n(-c2ccccn2)[nH+]1	Cc1cc(C)n(-c2ccccn2)n1	mol13826	Cc1cc(C)n(-c2ccccn2)n1
1.88999998569489	QSARToolbox	1	0	Cc1cc(C)n(-c2cccc[nH+]2)n1,Cc1cc(C)n(-c2ccccn2)[nH+]1	Cc1cc(C)n(-c2ccccn2)n1	mol13826	Cc1cc(C)n(-c2ccccn2)n1
-2.4	Datawarrior	2	1	Cc1cc(C)n(-c2cccc[nH+]2)[nH+]1	Cc1cc(C)n(-c2cccc[nH+]2)n1,Cc1cc(C)n(-c2ccccn2)[nH+]1	mol13826	Cc1cc(C)n(-c2ccccn2)n1