pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	Datawarrior	1	0	c1ccc(-c2cc[nH+][nH]2)nc1,c1ccc(-c2ccn[nH]2)[nH+]c1	c1ccc(-c2ccn[nH]2)nc1	mol14030	c1ccc(-c2ccn[nH]2)nc1
4.46000003814697	QSARToolbox	1	0	c1ccc(-c2cc[nH+][nH]2)nc1,c1ccc(-c2ccn[nH]2)[nH+]c1	c1ccc(-c2ccn[nH]2)nc1	mol14030	c1ccc(-c2ccn[nH]2)nc1
-1.1	Datawarrior	2	1	c1ccc(-c2cc[nH+][nH]2)[nH+]c1	c1ccc(-c2cc[nH+][nH]2)nc1,c1ccc(-c2ccn[nH]2)[nH+]c1	mol14030	c1ccc(-c2ccn[nH]2)nc1