pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.33	Datawarrior	1	0	c1ccc(Nc2[nH+]ccs2)cc1,c1ccc([NH2+]c2nccs2)cc1	c1ccc(Nc2nccs2)cc1	mol12779	c1ccc(Nc2nccs2)cc1
4.3299999	OCHEM	1	0	c1ccc(Nc2[nH+]ccs2)cc1,c1ccc([NH2+]c2nccs2)cc1	c1ccc(Nc2nccs2)cc1	mol12779	c1ccc(Nc2nccs2)cc1
4.32999992370606	QSARToolbox	1	0	c1ccc(Nc2[nH+]ccs2)cc1,c1ccc([NH2+]c2nccs2)cc1	c1ccc(Nc2nccs2)cc1	mol12779	c1ccc(Nc2nccs2)cc1