pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.06	IUPAC digitized pKa	1	0	CCNCC[NH2+]CC	CCNCCNCC	mol3120	CCNCCNCC
10.46	IUPAC digitized pKa	1	0	CCNCC[NH2+]CC	CCNCCNCC	mol3120	CCNCCNCC
10.16	IUPAC digitized pKa	1	0	CCNCC[NH2+]CC	CCNCCNCC	mol3120	CCNCCNCC
8.53	IUPAC digitized pKa	2	1	CC[NH2+]CC[NH2+]CC	CCNCC[NH2+]CC	mol3120	CCNCCNCC
7.7	IUPAC digitized pKa	2	1	CC[NH2+]CC[NH2+]CC	CCNCC[NH2+]CC	mol3120	CCNCCNCC
6.96	IUPAC digitized pKa	2	1	CC[NH2+]CC[NH2+]CC	CCNCC[NH2+]CC	mol3120	CCNCCNCC
8.0	OCHEM	2	1	CC[NH2+]CC[NH2+]CC	CCNCC[NH2+]CC	mol3120	CCNCCNCC