pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	AttenGpKa training set	1	0	CCCOc1cc(N)ccc1C(=O)OCC[NH+](CC)CC	CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC	mol29787	CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC