pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.84	AttenGpKa training set	1	0	CCC/C(=[NH+]\c1ccccc1)SCC	CCC/C(=N\c1ccccc1)SCC	mol27952	CCC/C(=N\c1ccccc1)SCC