pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6399998664856	QSARToolbox	1	0	c1ccc2[nH+]c(-c3cscn3)[nH]c2c1,c1ccc2[nH]c(-c3csc[nH+]3)nc2c1	c1ccc2[nH]c(-c3cscn3)nc2c1	mol29573	c1ccc2[nH]c(-c3cscn3)nc2c1
1.87000000476837	QSARToolbox	1	0	c1ccc2[nH+]c(-c3cscn3)[nH]c2c1,c1ccc2[nH]c(-c3csc[nH+]3)nc2c1	c1ccc2[nH]c(-c3cscn3)nc2c1	mol29573	c1ccc2[nH]c(-c3cscn3)nc2c1
4.64	AttenGpKa training set	1	0	c1ccc2[nH+]c(-c3cscn3)[nH]c2c1,c1ccc2[nH]c(-c3csc[nH+]3)nc2c1	c1ccc2[nH]c(-c3cscn3)nc2c1	mol29573	c1ccc2[nH]c(-c3cscn3)nc2c1
1.87	AttenGpKa training set	1	0	c1ccc2[nH+]c(-c3cscn3)[nH]c2c1,c1ccc2[nH]c(-c3csc[nH+]3)nc2c1	c1ccc2[nH]c(-c3cscn3)nc2c1	mol29573	c1ccc2[nH]c(-c3cscn3)nc2c1