pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	Datawarrior	1	0	CC[NH+](CC)CCC(=O)Nc1c(C)cccc1C	CCN(CC)CCC(=O)Nc1c(C)cccc1C	mol14866	CCN(CC)CCC(=O)Nc1c(C)cccc1C
8.83	OCHEM	1	0	CC[NH+](CC)CCC(=O)Nc1c(C)cccc1C	CCN(CC)CCC(=O)Nc1c(C)cccc1C	mol14866	CCN(CC)CCC(=O)Nc1c(C)cccc1C