pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.74	AttenGpKa training set	0	-1	O=c1[nH]c(N2CCCC2)nc2ccccc12	O=c1[n-]c(N2CCCC2)nc2ccccc12	mol26277	O=c1[nH]c(N2CCCC2)nc2ccccc12
4.68	AttenGpKa training set	1	0	O=c1[nH]c(N2CCCC2)[nH+]c2ccccc12,O=c1[nH]c([NH+]2CCCC2)nc2ccccc12	O=c1[nH]c(N2CCCC2)nc2ccccc12	mol26277	O=c1[nH]c(N2CCCC2)nc2ccccc12