pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.99	Datawarrior	1	0	C[NH2+]CC(=O)Nc1c(C)cccc1C	CNCC(=O)Nc1c(C)cccc1C	mol13238	CNCC(=O)Nc1c(C)cccc1C
7.9899998	OCHEM	1	0	C[NH2+]CC(=O)Nc1c(C)cccc1C	CNCC(=O)Nc1c(C)cccc1C	mol13238	CNCC(=O)Nc1c(C)cccc1C