pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Datawarrior	1	0	CC[NH+](CC)CCOC(=O)c1ccccc1	CCN(CC)CCOC(=O)c1ccccc1	mol1766	CCN(CC)CCOC(=O)c1ccccc1
8.8999996	OCHEM	1	0	CC[NH+](CC)CCOC(=O)c1ccccc1	CCN(CC)CCOC(=O)c1ccccc1	mol1766	CCN(CC)CCOC(=O)c1ccccc1
8.85	OCHEM	1	0	CC[NH+](CC)CCOC(=O)c1ccccc1	CCN(CC)CCOC(=O)c1ccccc1	mol1766	CCN(CC)CCOC(=O)c1ccccc1