pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.55	AttenGpKa training set	0	-1	CC(C)(C)/[NH+]=C1/C=C(C2=C([O-])CCCC2=O)CCC1	CC(C)(C)/N=C1/C=C(C2=C([O-])CCCC2=O)CCC1	mol27055	CC(C)(C)/N=C1/C=C(C2=C(O)CCCC2=O)CCC1
3.45	AttenGpKa training set	1	0	CC(C)(C)/[NH+]=C1/C=C(C2=C(O)CCCC2=O)CCC1	CC(C)(C)/[NH+]=C1/C=C(C2=C([O-])CCCC2=O)CCC1	mol27055	CC(C)(C)/N=C1/C=C(C2=C(O)CCCC2=O)CCC1