pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.67	Datawarrior	1	0	CCCCNC(O)=[SH+]	CCCCNC(O)=S	mol12507	CCCCNC(O)=S
0.67000002	OCHEM	1	0	CCCCNC(O)=[SH+]	CCCCNC(O)=S	mol12507	CCCCNC(O)=S