pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	Datawarrior	0	-1	CSC1=NC(C)(C)C(O)=N1	CSC1=NC(C)(C)C([O-])=N1	mol13004	CSC1=NC(C)(C)C(O)=N1
9.4799995	OCHEM	0	-1	CSC1=NC(C)(C)C(O)=N1	CSC1=NC(C)(C)C([O-])=N1	mol13004	CSC1=NC(C)(C)C(O)=N1
9.47999954223633	QSARToolbox	0	-1	CSC1=NC(C)(C)C(O)=N1	CSC1=NC(C)(C)C([O-])=N1	mol13004	CSC1=NC(C)(C)C(O)=N1