pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.51	AttenGpKa training set	1	0	CCN(CC)c1ccc(C[NH2+]c2ccc(F)cc2)cc1,CC[NH+](CC)c1ccc(CNc2ccc(F)cc2)cc1	CCN(CC)c1ccc(CNc2ccc(F)cc2)cc1	mol29725	CCN(CC)c1ccc(CNc2ccc(F)cc2)cc1
4.66	AttenGpKa training set	2	1	CC[NH+](CC)c1ccc(C[NH2+]c2ccc(F)cc2)cc1	CCN(CC)c1ccc(C[NH2+]c2ccc(F)cc2)cc1,CC[NH+](CC)c1ccc(CNc2ccc(F)cc2)cc1	mol29725	CCN(CC)c1ccc(CNc2ccc(F)cc2)cc1