pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3	IUPAC digitized pKa	0	-1	CCN(CC)Cc1ccc2cccnc2c1O,CC[NH+](CC)Cc1ccc2cccnc2c1[O-]	CCN(CC)Cc1ccc2cccnc2c1[O-]	mol1386	CCN(CC)Cc1ccc2cccnc2c1O
7.2	IUPAC digitized pKa	1	0	CCN(CC)Cc1ccc2ccc[nH+]c2c1O,CC[NH+](CC)Cc1ccc2cccnc2c1O	CCN(CC)Cc1ccc2cccnc2c1O,CC[NH+](CC)Cc1ccc2cccnc2c1[O-]	mol1386	CCN(CC)Cc1ccc2cccnc2c1O
2.9	IUPAC digitized pKa	2	1	CC[NH+](CC)Cc1ccc2ccc[nH+]c2c1O	CCN(CC)Cc1ccc2ccc[nH+]c2c1O,CC[NH+](CC)Cc1ccc2cccnc2c1O	mol1386	CCN(CC)Cc1ccc2cccnc2c1O