pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	IUPAC digitized pKa	1	0	C1CCC(NCC[NH2+]CCNC2CCCCC2)CC1,C1CCC(NCCNCC[NH2+]C2CCCCC2)CC1	C1CCC(NCCNCCNC2CCCCC2)CC1	mol5855	C1CCC(NCCNCCNC2CCCCC2)CC1
9.2	IUPAC digitized pKa	2	1	C1CCC([NH2+]CCNCC[NH2+]C2CCCCC2)CC1	C1CCC(NCC[NH2+]CCNC2CCCCC2)CC1,C1CCC(NCCNCC[NH2+]C2CCCCC2)CC1	mol5855	C1CCC(NCCNCCNC2CCCCC2)CC1
3.4	IUPAC digitized pKa	3	2	C1CCC([NH2+]CC[NH2+]CC[NH2+]C2CCCCC2)CC1	C1CCC([NH2+]CCNCC[NH2+]C2CCCCC2)CC1	mol5855	C1CCC(NCCNCCNC2CCCCC2)CC1