pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.91	Datawarrior	0	-1	N#C[C@@H](CC(=O)O)Cc1ccccc1	N#C[C@@H](CC(=O)[O-])Cc1ccccc1	mol13270	N#CC(CC(=O)O)Cc1ccccc1
3.9100001	OCHEM	0	-1	N#C[C@@H](CC(=O)O)Cc1ccccc1	N#C[C@@H](CC(=O)[O-])Cc1ccccc1	mol13270	N#CC(CC(=O)O)Cc1ccccc1
3.91000008583069	QSARToolbox	0	-1	N#C[C@@H](CC(=O)O)Cc1ccccc1	N#C[C@@H](CC(=O)[O-])Cc1ccccc1	mol13270	N#CC(CC(=O)O)Cc1ccccc1