pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44	Datawarrior	0	-1	N#CC[C@@H](C(=O)O)c1ccccc1	N#CC[C@@H](C(=O)[O-])c1ccccc1	mol13927	N#CCC(C(=O)O)c1ccccc1
3.4400001	OCHEM	0	-1	N#CC[C@@H](C(=O)O)c1ccccc1	N#CC[C@@H](C(=O)[O-])c1ccccc1	mol13927	N#CCC(C(=O)O)c1ccccc1
3.44000005722046	QSARToolbox	0	-1	N#CC[C@@H](C(=O)O)c1ccccc1	N#CC[C@@H](C(=O)[O-])c1ccccc1	mol13927	N#CCC(C(=O)O)c1ccccc1