pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	AttenGpKa training set	1	0	C[NH+](C)CCCCCCCc1ccc2ccccc2c1	CN(C)CCCCCCCc1ccc2ccccc2c1	mol24360	CN(C)CCCCCCCc1ccc2ccccc2c1