pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.35	AttenGpKa training set	0	-1	C[NH+]1CCC([S-])CC1,CN1CCC(S)CC1	CN1CCC([S-])CC1	mol28190	CN1CCC(S)CC1
8.33	AttenGpKa training set	1	0	C[NH+]1CCC(S)CC1	C[NH+]1CCC([S-])CC1,CN1CCC(S)CC1	mol28190	CN1CCC(S)CC1