pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	IUPAC digitized pKa	1	0	C[NH+](C)CCC=C1c2ccccc2C=Cc2ccccc21	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21	mol416	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
9.69	OCHEM	1	0	C[NH+](C)CCC=C1c2ccccc2C=Cc2ccccc21	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21	mol416	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
8.241	OCHEM	1	0	C[NH+](C)CCC=C1c2ccccc2C=Cc2ccccc21	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21	mol416	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21