pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	IUPAC digitized pKa	1	0	CN(C1=[NH+]CCCS1)c1ccccc1	CN(C1=NCCCS1)c1ccccc1	mol7548	CN(C1=NCCCS1)c1ccccc1