pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.37	Datawarrior	0	-1	N#C[C@@H](C(=O)O)C1CCCCC1	N#C[C@@H](C(=O)[O-])C1CCCCC1	mol12660	N#CC(C(=O)O)C1CCCCC1
2.3699999	OCHEM	0	-1	N#C[C@@H](C(=O)O)C1CCCCC1	N#C[C@@H](C(=O)[O-])C1CCCCC1	mol12660	N#CC(C(=O)O)C1CCCCC1
2.36999988555908	QSARToolbox	0	-1	N#C[C@@H](C(=O)O)C1CCCCC1	N#C[C@@H](C(=O)[O-])C1CCCCC1	mol12660	N#CC(C(=O)O)C1CCCCC1