pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.1	IUPAC digitized pKa	0	-1	CCN(CC)CCc1nc2ccccc2[nH]1	CCN(CC)CCc1nc2ccccc2[n-]1	mol4502	CCN(CC)CCc1nc2ccccc2[nH]1
7.8	IUPAC digitized pKa	1	0	CCN(CC)CCc1[nH]c2ccccc2[nH+]1,CC[NH+](CC)CCc1nc2ccccc2[nH]1	CCN(CC)CCc1nc2ccccc2[nH]1	mol4502	CCN(CC)CCc1nc2ccccc2[nH]1
2.7	IUPAC digitized pKa	2	1	CC[NH+](CC)CCc1[nH]c2ccccc2[nH+]1	CCN(CC)CCc1[nH]c2ccccc2[nH+]1,CC[NH+](CC)CCc1nc2ccccc2[nH]1	mol4502	CCN(CC)CCc1nc2ccccc2[nH]1