pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.18	Datawarrior	1	0	CC(=[OH+])Nc1c(C)n(C)n(-c2ccccc2)c1=O,CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=[OH+]	CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	mol14976	CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
0.18000001	OCHEM	1	0	CC(=[OH+])Nc1c(C)n(C)n(-c2ccccc2)c1=O,CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=[OH+]	CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	mol14976	CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
0.180000007152557	QSARToolbox	1	0	CC(=[OH+])Nc1c(C)n(C)n(-c2ccccc2)c1=O,CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=[OH+]	CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	mol14976	CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O