pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.12	IUPAC digitized pKa	1	0	CC(C)NCC[NH2+]C(C)C	CC(C)NCCNC(C)C	mol3123	CC(C)NCCNC(C)C
10.4	IUPAC digitized pKa	1	0	CC(C)NCC[NH2+]C(C)C	CC(C)NCCNC(C)C	mol3123	CC(C)NCCNC(C)C
10.1	OCHEM	1	0	CC(C)NCC[NH2+]C(C)C	CC(C)NCCNC(C)C	mol3123	CC(C)NCCNC(C)C
8.26	IUPAC digitized pKa	2	1	CC(C)[NH2+]CC[NH2+]C(C)C	CC(C)NCC[NH2+]C(C)C	mol3123	CC(C)NCCNC(C)C
7.59	IUPAC digitized pKa	2	1	CC(C)[NH2+]CC[NH2+]C(C)C	CC(C)NCC[NH2+]C(C)C	mol3123	CC(C)NCCNC(C)C
7.9	OCHEM	2	1	CC(C)[NH2+]CC[NH2+]C(C)C	CC(C)NCC[NH2+]C(C)C	mol3123	CC(C)NCCNC(C)C