pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	Datawarrior	0	-1	C[C@H]1CCCCC1=[NH+]CC(=O)[O-]	C[C@H]1CCCCC1=NCC(=O)[O-]	mol12666	CC1CCCCC1=NCC(=O)O
9.6400003	OCHEM	0	-1	C[C@H]1CCCCC1=[NH+]CC(=O)[O-]	C[C@H]1CCCCC1=NCC(=O)[O-]	mol12666	CC1CCCCC1=NCC(=O)O