pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.36	AttenGpKa training set	1	0	C/C=C1/C(=O)Nc2cccc(CC[NH+](CCC)CCC)c21	C/C=C1/C(=O)Nc2cccc(CCN(CCC)CCC)c21	mol29769	C/C=C1/C(=O)Nc2cccc(CCN(CCC)CCC)c21