pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.03	Datawarrior	1	0	CC(=O)n1cc[nH+]c1C	CC(=O)n1ccnc1C	mol13613	CC(=O)n1ccnc1C
5.0300002	OCHEM	1	0	CC(=O)n1cc[nH+]c1C	CC(=O)n1ccnc1C	mol13613	CC(=O)n1ccnc1C
5.03000020980835	QSARToolbox	1	0	CC(=O)n1cc[nH+]c1C	CC(=O)n1ccnc1C	mol13613	CC(=O)n1ccnc1C