pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	AttenGpKa training set	1	0	c1ccc([NH2+]Sc2ccccc2)cc1	c1ccc(NSc2ccccc2)cc1	mol28240	c1ccc(NSc2ccccc2)cc1