pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	2	1	C[NH+](C)CCCNc1c2ccccc2[nH+]c2c1[nH]c1ccccc12,C[NH+](C)CCC[NH2+]c1c2ccccc2nc2c1[nH]c1ccccc12	CN(C)CCCNc1c2ccccc2[nH+]c2c1[nH]c1ccccc12,CN(C)CCC[NH2+]c1c2ccccc2nc2c1[nH]c1ccccc12,C[NH+](C)CCCNc1c2ccccc2nc2c1[nH]c1ccccc12	mol16599	CN(C)CCCNc1c2ccccc2nc2c1[nH]c1ccccc12