pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39	AttenGpKa training set	1	0	C[NH+](C)CCCCCCc1ccc2ccccc2c1	CN(C)CCCCCCc1ccc2ccccc2c1	mol24349	CN(C)CCCCCCc1ccc2ccccc2c1