pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.33	AttenGpKa training set	1	0	C1COCCN2CCOCCOCC[NH+](CCOCCO1)CCOCCOCC2	C1COCCN2CCOCCOCCN(CCOCCO1)CCOCCOCC2	mol24697	C1COCCN2CCOCCOCCN(CCOCCO1)CCOCCOCC2
8.5	AttenGpKa training set	1	0	C1COCCN2CCOCCOCC[NH+](CCOCCO1)CCOCCOCC2	C1COCCN2CCOCCOCCN(CCOCCO1)CCOCCOCC2	mol24697	C1COCCN2CCOCCOCCN(CCOCCO1)CCOCCOCC2