pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.18	IUPAC digitized pKa	0	-1	NC(=O)C(Cc1cn(-c2ccccc2)c(=O)[nH]c1=O)C(N)=O	NC(=O)C(Cc1cn(-c2ccccc2)c(=O)[n-]c1=O)C(N)=O	mol11977	NC(=O)C(Cc1cn(-c2ccccc2)c(=O)[nH]c1=O)C(N)=O
13.21	IUPAC digitized pKa	-2	-3	[NH-]C(=O)C(Cc1cn(-c2ccccc2)c(=O)[n-]c1=O)C(N)=O,[NH-]C(=O)C(Cc1cn(-c2ccccc2)c(=O)[nH]c1=O)C([NH-])=O,[NH-]C(=O)[C-](Cc1cn(-c2ccccc2)c(=O)[nH]c1=O)C(N)=O,NC(=O)[C-](Cc1cn(-c2ccccc2)c(=O)[n-]c1=O)C(N)=O	[NH-]C(=O)C(Cc1cn(-c2ccccc2)c(=O)[n-]c1=O)C([NH-])=O,[NH-]C(=O)[C-](Cc1cn(-c2ccccc2)c(=O)[n-]c1=O)C(N)=O,[NH-]C(=O)[C-](Cc1cn(-c2ccccc2)c(=O)[nH]c1=O)C([NH-])=O	mol11977	NC(=O)C(Cc1cn(-c2ccccc2)c(=O)[nH]c1=O)C(N)=O