pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	OCHEM	1	0	COc1ccnc(C)[nH+]1,COc1cc[nH+]c(C)n1	COc1ccnc(C)n1	mol7490	COc1ccnc(C)n1
3.98000001907349	QSARToolbox	1	0	COc1ccnc(C)[nH+]1,COc1cc[nH+]c(C)n1	COc1ccnc(C)n1	mol7490	COc1ccnc(C)n1