pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.27	Baltruschat ChEMBL	1	0	C[NH+](C)CCCc1ccc2ccccc2c1	CN(C)CCCc1ccc2ccccc2c1	mol18517	CN(C)CCCc1ccc2ccccc2c1
9.37	AttenGpKa training set	1	0	C[NH+](C)CCCc1ccc2ccccc2c1	CN(C)CCCc1ccc2ccccc2c1	mol18517	CN(C)CCCc1ccc2ccccc2c1