pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.31	AttenGpKa training set	1	0	C1COCCN2CCOCCOCCOCC[NH+](CCOCCO1)CCOCCOCC2	C1COCCN2CCOCCOCCOCCN(CCOCCO1)CCOCCOCC2	mol24701	C1COCCN2CCOCCOCCOCCN(CCOCCO1)CCOCCOCC2
8.16	AttenGpKa training set	1	0	C1COCCN2CCOCCOCCOCC[NH+](CCOCCO1)CCOCCOCC2	C1COCCN2CCOCCOCCOCCN(CCOCCO1)CCOCCOCC2	mol24701	C1COCCN2CCOCCOCCOCCN(CCOCCO1)CCOCCOCC2