pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	OCHEM	1	0	C[NH+](C)CC/C=C1\c2ccccc2COc2ccccc21	CN(C)CC/C=C1\c2ccccc2COc2ccccc21	mol414	CN(C)CC/C=C1\c2ccccc2COc2ccccc21
9.0	OCHEM	1	0	C[NH+](C)CC/C=C1\c2ccccc2COc2ccccc21	CN(C)CC/C=C1\c2ccccc2COc2ccccc21	mol414	CN(C)CC/C=C1\c2ccccc2COc2ccccc21
8.0	OCHEM	1	0	C[NH+](C)CC/C=C1\c2ccccc2COc2ccccc21	CN(C)CC/C=C1\c2ccccc2COc2ccccc21	mol414	CN(C)CC/C=C1\c2ccccc2COc2ccccc21