pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Baltruschat ChEMBL	2	1	C[NH+](C)CC[NH2+]c1c2ccccc2nc2c1[nH]c1ccccc12,C[NH+](C)CCNc1c2ccccc2[nH+]c2c1[nH]c1ccccc12	C[NH+](C)CCNc1c2ccccc2nc2c1[nH]c1ccccc12,CN(C)CC[NH2+]c1c2ccccc2nc2c1[nH]c1ccccc12,CN(C)CCNc1c2ccccc2[nH+]c2c1[nH]c1ccccc12	mol16600	CN(C)CCNc1c2ccccc2nc2c1[nH]c1ccccc12