pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.81	Datawarrior	1	0	CC1=CSC2=[NH+]CCN12	CC1=CSC2=NCCN12	mol13530	CC1=CSC2=NCCN12
9.8100004	OCHEM	1	0	CC1=CSC2=[NH+]CCN12	CC1=CSC2=NCCN12	mol13530	CC1=CSC2=NCCN12
9.8100004196167	QSARToolbox	1	0	CC1=CSC2=[NH+]CCN12	CC1=CSC2=NCCN12	mol13530	CC1=CSC2=NCCN12