pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.38	Datawarrior	1	0	c1ccc2sc[nH+]c2c1	c1ccc2scnc2c1	mol13541	c1ccc2scnc2c1
1.305	AttenGpKa training set	1	0	c1ccc2sc[nH+]c2c1	c1ccc2scnc2c1	mol13541	c1ccc2scnc2c1