pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.15	Datawarrior	0	-1	Cc1cccc(-c2nnn[nH]2)c1	Cc1cccc(-c2nnn[n-]2)c1	mol12753	Cc1cccc(-c2nnn[nH]2)c1
4.1500001	OCHEM	0	-1	Cc1cccc(-c2nnn[nH]2)c1	Cc1cccc(-c2nnn[n-]2)c1	mol12753	Cc1cccc(-c2nnn[nH]2)c1
4.15000009536743	QSARToolbox	0	-1	Cc1cccc(-c2nnn[nH]2)c1	Cc1cccc(-c2nnn[n-]2)c1	mol12753	Cc1cccc(-c2nnn[nH]2)c1