pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Datawarrior	1	0	CCCCCSC(=[NH2+])c1ccccc1	CCCCCSC(=N)c1ccccc1	mol13251	CCCCCSC(=N)c1ccccc1