pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.68	IUPAC digitized pKa	2	1	C[N+](C)(C)CC[NH3+]	C[N+](C)(C)CCN	mol5860	C[N+](C)(C)CCN
7.1	IUPAC digitized pKa	2	1	C[N+](C)(C)CC[NH3+]	C[N+](C)(C)CCN	mol5860	C[N+](C)(C)CCN
6.68	IUPAC digitized pKa	2	1	C[N+](C)(C)CC[NH3+]	C[N+](C)(C)CCN	mol5860	C[N+](C)(C)CCN
7.34	Datawarrior	2	1	C[N+](C)(C)CC[NH3+]	C[N+](C)(C)CCN	mol5860	C[N+](C)(C)CCN
7.3400002	OCHEM	2	1	C[N+](C)(C)CC[NH3+]	C[N+](C)(C)CCN	mol5860	C[N+](C)(C)CCN
7.025	AttenGpKa training set	2	1	C[N+](C)(C)CC[NH3+]	C[N+](C)(C)CCN	mol5860	C[N+](C)(C)CCN