pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.07	IUPAC digitized pKa	2	1	C[N+]1(Cc2ccc[nH+]c2)CCCCC1	C[N+]1(Cc2cccnc2)CCCCC1	mol3803	C[N+]1(Cc2cccnc2)CCCCC1
3.13	AttenGpKa training set	2	1	C[N+]1(Cc2ccc[nH+]c2)CCCCC1	C[N+]1(Cc2cccnc2)CCCCC1	mol3803	C[N+]1(Cc2cccnc2)CCCCC1