pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.09	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
10.489	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.35	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.88	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.04	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
10.98	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.11	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
10.76	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
10.5	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.16	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.38	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
10.797	IUPAC digitized pKa	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.05	Datawarrior	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
10.8	OCHEM	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.1	OCHEM	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC