pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.04	IUPAC digitized pKa	2	1	C[N+](C)(C)Cc1ccc[nH+]c1	C[N+](C)(C)Cc1cccnc1	mol3809	C[N+](C)(C)Cc1cccnc1
3.1	AttenGpKa training set	2	1	C[N+](C)(C)Cc1ccc[nH+]c1	C[N+](C)(C)Cc1cccnc1	mol3809	C[N+](C)(C)Cc1cccnc1