pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.99	IUPAC digitized pKa	1	0	CCCCC[C@H](C)[NH2+]C	CCCCC[C@H](C)NC	mol3251	CCCCCC(C)NC
10.82	IUPAC digitized pKa	1	0	CCCCC[C@H](C)[NH2+]C	CCCCC[C@H](C)NC	mol3251	CCCCCC(C)NC
10.905	OCHEM	1	0	CCCCC[C@H](C)[NH2+]C	CCCCC[C@H](C)NC	mol3251	CCCCCC(C)NC
