pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.11	Datawarrior	1	0	CCN(CC)CCOCC[NH+](CC)CC	CCN(CC)CCOCCN(CC)CC	mol14280	CCN(CC)CCOCCN(CC)CC
8.61	Datawarrior	2	1	CC[NH+](CC)CCOCC[NH+](CC)CC	CCN(CC)CCOCC[NH+](CC)CC	mol14280	CCN(CC)CCOCCN(CC)CC
8.6	OCHEM	2	1	CC[NH+](CC)CCOCC[NH+](CC)CC	CCN(CC)CCOCC[NH+](CC)CC	mol14280	CCN(CC)CCOCCN(CC)CC