pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.04	Datawarrior	1	0	CCOC(=O)c1cnc([NH3+])s1,CCOC(=O)c1c[nH+]c(N)s1	CCOC(=O)c1cnc(N)s1	mol14164	CCOC(=O)c1cnc(N)s1
3.03999996185303	QSARToolbox	1	0	CCOC(=O)c1cnc([NH3+])s1,CCOC(=O)c1c[nH+]c(N)s1	CCOC(=O)c1cnc(N)s1	mol14164	CCOC(=O)c1cnc(N)s1