pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.09	Datawarrior	0	-1	N#CCc1ccc(C(=O)O)cc1	N#CCc1ccc(C(=O)[O-])cc1	mol12662	N#CCc1ccc(C(=O)O)cc1
4.0900002	OCHEM	0	-1	N#CCc1ccc(C(=O)O)cc1	N#CCc1ccc(C(=O)[O-])cc1	mol12662	N#CCc1ccc(C(=O)O)cc1
4.065	AttenGpKa training set	0	-1	N#CCc1ccc(C(=O)O)cc1	N#CCc1ccc(C(=O)[O-])cc1	mol12662	N#CCc1ccc(C(=O)O)cc1