pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.66	Datawarrior	1	0	C=C(C)C(=O)OCC[NH+](CC)CC	C=C(C)C(=O)OCCN(CC)CC	mol13697	C=C(C)C(=O)OCCN(CC)CC
8.6599998	OCHEM	1	0	C=C(C)C(=O)OCC[NH+](CC)CC	C=C(C)C(=O)OCCN(CC)CC	mol13697	C=C(C)C(=O)OCCN(CC)CC