pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.36	IUPAC digitized pKa	1	0	C[NH+]1CC(S)=Cc2ccccc21	CN1CC(S)=Cc2ccccc21,C[NH+]1CC([S-])=Cc2ccccc21	mol4439	CN1CC(S)=Cc2ccccc21