pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Datawarrior	1	0	C=CCN(CC=C)CCC[NH+](CC=C)CC=C	C=CCN(CC=C)CCCN(CC=C)CC=C	mol15122	C=CCN(CC=C)CCCN(CC=C)CC=C
8.8000002	OCHEM	1	0	C=CCN(CC=C)CCC[NH+](CC=C)CC=C	C=CCN(CC=C)CCCN(CC=C)CC=C	mol15122	C=CCN(CC=C)CCCN(CC=C)CC=C
6.96	Datawarrior	2	1	C=CC[NH+](CC=C)CCC[NH+](CC=C)CC=C	C=CCN(CC=C)CCC[NH+](CC=C)CC=C	mol15122	C=CCN(CC=C)CCCN(CC=C)CC=C