pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.25	IUPAC digitized pKa	1	0	CC(C)[NH+](CCO)CCO	CC(C)N(CCO)CCO	mol5876	CC(C)N(CCO)CCO
9.19	IUPAC digitized pKa	1	0	CC(C)[NH+](CCO)CCO	CC(C)N(CCO)CCO	mol5876	CC(C)N(CCO)CCO
9.09	IUPAC digitized pKa	1	0	CC(C)[NH+](CCO)CCO	CC(C)N(CCO)CCO	mol5876	CC(C)N(CCO)CCO
8.91	IUPAC digitized pKa	1	0	CC(C)[NH+](CCO)CCO	CC(C)N(CCO)CCO	mol5876	CC(C)N(CCO)CCO
8.79	IUPAC digitized pKa	1	0	CC(C)[NH+](CCO)CCO	CC(C)N(CCO)CCO	mol5876	CC(C)N(CCO)CCO
8.58	IUPAC digitized pKa	1	0	CC(C)[NH+](CCO)CCO	CC(C)N(CCO)CCO	mol5876	CC(C)N(CCO)CCO