pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.99	IUPAC digitized pKa	1	0	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	NCCN1CCNCC1	mol3959	NCCN1CCNCC1
9.63	IUPAC digitized pKa	1	0	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	NCCN1CCNCC1	mol3959	NCCN1CCNCC1
9.4	IUPAC digitized pKa	1	0	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	NCCN1CCNCC1	mol3959	NCCN1CCNCC1
8.87	IUPAC digitized pKa	2	1	[NH3+]CCN1CC[NH2+]CC1	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	mol3959	NCCN1CCNCC1
8.51	IUPAC digitized pKa	2	1	[NH3+]CCN1CC[NH2+]CC1	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	mol3959	NCCN1CCNCC1
8.37	IUPAC digitized pKa	2	1	[NH3+]CCN1CC[NH2+]CC1	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	mol3959	NCCN1CCNCC1
9.13	IUPAC digitized pKa	2	1	[NH3+]CCN1CC[NH2+]CC1	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	mol3959	NCCN1CCNCC1
8.06	IUPAC digitized pKa	2	1	[NH3+]CCN1CC[NH2+]CC1	[NH3+]CCN1CCNCC1,NCCN1CC[NH2+]CC1,NCC[NH+]1CCNCC1	mol3959	NCCN1CCNCC1