pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	IUPAC digitized pKa	2	1	C[N+](C)(C)CCc1ccc[nH+]c1	C[N+](C)(C)CCc1cccnc1	mol3807	C[N+](C)(C)CCc1cccnc1
4.35	AttenGpKa training set	2	1	C[N+](C)(C)CCc1ccc[nH+]c1	C[N+](C)(C)CCc1cccnc1	mol3807	C[N+](C)(C)CCc1cccnc1