pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.98	Datawarrior	1	0	COc1cnc([NH3+])s1,COc1c[nH+]c(N)s1	COc1cnc(N)s1	mol12392	COc1cnc(N)s1
4.98000001907349	QSARToolbox	1	0	COc1cnc([NH3+])s1,COc1c[nH+]c(N)s1	COc1cnc(N)s1	mol12392	COc1cnc(N)s1