pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.18	IUPAC digitized pKa	2	1	C[N+](C)(C)Cc1cc[nH+]cc1	C[N+](C)(C)Cc1ccncc1	mol3810	C[N+](C)(C)Cc1ccncc1
3.24	AttenGpKa training set	2	1	C[N+](C)(C)Cc1cc[nH+]cc1	C[N+](C)(C)Cc1ccncc1	mol3810	C[N+](C)(C)Cc1ccncc1