pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.52	Datawarrior	1	0	CCCNC(O)=[SH+]	CCCNC(O)=S	mol15996	CCCNC(O)=S
0.51999998	OCHEM	1	0	CCCNC(O)=[SH+]	CCCNC(O)=S	mol15996	CCCNC(O)=S
0.519999980926514	QSARToolbox	1	0	CCCNC(O)=[SH+]	CCCNC(O)=S	mol15996	CCCNC(O)=S