pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.15	IUPAC digitized pKa	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
10.8	IUPAC digitized pKa	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
10.5	IUPAC digitized pKa	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
10.82	IUPAC digitized pKa	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
10.804	IUPAC digitized pKa	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
10.63	Datawarrior	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
10.65	AttenGpKa training set	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
9.71	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.35	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.04	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
10.26	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
8.83	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.61	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
10.19	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
8.78	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.634	IUPAC digitized pKa	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.36	Datawarrior	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.9949999	OCHEM	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.65	OCHEM	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN
9.2	AttenGpKa training set	2	1	[NH3+]CCCC[NH3+]	NCCCC[NH3+]	mol3216	NCCCCN