pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.81	AttenGpKa training set	1	0	CCSc1nc(NC(C)C)nc([NH2+]C(C)C)n1,CCSc1nc(NC(C)C)[nH+]c(NC(C)C)n1,CCSc1nc(NC(C)C)nc(NC(C)C)[nH+]1	CCSc1nc(NC(C)C)nc(NC(C)C)n1	mol25835	CCSc1nc(NC(C)C)nc(NC(C)C)n1