pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.57	OCHEM	1	0	Nc1nc([NH3+])cnc1C=O,Nc1cnc(C=O)c([NH3+])n1,Nc1cnc(C=O)c(N)[nH+]1,Nc1c[nH+]c(C=O)c(N)n1	Nc1cnc(C=O)c(N)n1	mol6778	Nc1cnc(C=O)c(N)n1
1.57000005245209	QSARToolbox	1	0	Nc1nc([NH3+])cnc1C=O,Nc1cnc(C=O)c([NH3+])n1,Nc1cnc(C=O)c(N)[nH+]1,Nc1c[nH+]c(C=O)c(N)n1	Nc1cnc(C=O)c(N)n1	mol6778	Nc1cnc(C=O)c(N)n1