pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	IUPAC digitized pKa	1	0	C[C@@H]1CCCC[C@H]1[NH2+]CCNCCN[C@H]1CCCC[C@@H]1C,C[C@@H]1CCCC[C@H]1NCC[NH2+]CCN[C@H]1CCCC[C@@H]1C	C[C@@H]1CCCC[C@H]1NCCNCCN[C@H]1CCCC[C@@H]1C	mol5851	CC1CCCCC1NCCNCCNC1CCCCC1C
9.1	IUPAC digitized pKa	2	1	C[C@@H]1CCCC[C@H]1[NH2+]CCNCC[NH2+][C@H]1CCCC[C@@H]1C	C[C@@H]1CCCC[C@H]1[NH2+]CCNCCN[C@H]1CCCC[C@@H]1C,C[C@@H]1CCCC[C@H]1NCC[NH2+]CCN[C@H]1CCCC[C@@H]1C	mol5851	CC1CCCCC1NCCNCCNC1CCCCC1C
3.5	IUPAC digitized pKa	3	2	C[C@@H]1CCCC[C@H]1[NH2+]CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C	C[C@@H]1CCCC[C@H]1[NH2+]CCNCC[NH2+][C@H]1CCCC[C@@H]1C	mol5851	CC1CCCCC1NCCNCCNC1CCCCC1C