pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.18	IUPAC digitized pKa	1	0	C[NH+]1CC=Cc2c(S)cccc21	C[NH+]1CC=Cc2c([S-])cccc21,CN1CC=Cc2c(S)cccc21	mol4440	CN1CC=Cc2c(S)cccc21