pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.64	Datawarrior	1	0	Cc1[nH+]ccn1C	Cc1nccn1C	mol16024	Cc1nccn1C
7.6399999	OCHEM	1	0	Cc1[nH+]ccn1C	Cc1nccn1C	mol16024	Cc1nccn1C
7.6399998664856	QSARToolbox	1	0	Cc1[nH+]ccn1C	Cc1nccn1C	mol16024	Cc1nccn1C
8.21	AttenGpKa training set	1	0	Cc1[nH+]ccn1C	Cc1nccn1C	mol16024	Cc1nccn1C