pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.19	Datawarrior	1	0	Cc1cc(C)n(-c2cc(C)n(C)[nH+]2)n1,Cc1cc(C)n(-c2cc(C)n(C)n2)[nH+]1	Cc1cc(C)n(-c2cc(C)n(C)n2)n1	mol13364	Cc1cc(C)n(-c2cc(C)n(C)n2)n1
2.1900001	OCHEM	1	0	Cc1cc(C)n(-c2cc(C)n(C)[nH+]2)n1,Cc1cc(C)n(-c2cc(C)n(C)n2)[nH+]1	Cc1cc(C)n(-c2cc(C)n(C)n2)n1	mol13364	Cc1cc(C)n(-c2cc(C)n(C)n2)n1
2.19000005722046	QSARToolbox	1	0	Cc1cc(C)n(-c2cc(C)n(C)[nH+]2)n1,Cc1cc(C)n(-c2cc(C)n(C)n2)[nH+]1	Cc1cc(C)n(-c2cc(C)n(C)n2)n1	mol13364	Cc1cc(C)n(-c2cc(C)n(C)n2)n1
-2.9	Datawarrior	2	1	Cc1cc(C)n(-c2cc(C)n(C)[nH+]2)[nH+]1	Cc1cc(C)n(-c2cc(C)n(C)[nH+]2)n1,Cc1cc(C)n(-c2cc(C)n(C)n2)[nH+]1	mol13364	Cc1cc(C)n(-c2cc(C)n(C)n2)n1