pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.63	IUPAC digitized pKa	2	1	C[N+](C)(C)Cc1cccc[nH+]1	C[N+](C)(C)Cc1ccccn1	mol3808	C[N+](C)(C)Cc1ccccn1
2.69	AttenGpKa training set	2	1	C[N+](C)(C)Cc1cccc[nH+]1	C[N+](C)(C)Cc1ccccn1	mol3808	C[N+](C)(C)Cc1ccccn1