pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.88	Datawarrior	0	-1	Ic1ccc(-c2nnn[nH]2)cc1	Ic1ccc(-c2nnn[n-]2)cc1	mol12758	Ic1ccc(-c2nnn[nH]2)cc1
3.8800001	OCHEM	0	-1	Ic1ccc(-c2nnn[nH]2)cc1	Ic1ccc(-c2nnn[n-]2)cc1	mol12758	Ic1ccc(-c2nnn[nH]2)cc1
3.88000011444092	QSARToolbox	0	-1	Ic1ccc(-c2nnn[nH]2)cc1	Ic1ccc(-c2nnn[n-]2)cc1	mol12758	Ic1ccc(-c2nnn[nH]2)cc1
-2.66	AttenGpKa training set	1	0	Ic1ccc(-c2[nH]nn[nH+]2)cc1,Ic1ccc(-c2n[nH+]n[nH]2)cc1	Ic1ccc(-c2nnn[nH]2)cc1	mol12758	Ic1ccc(-c2nnn[nH]2)cc1