Table 3.

The pScore and inDrug values from Badapple prediction.

Compound	Scaffold Number	Scaffold Structure	pScorea	inDrugb
Cpd49	1		185	True
	2		83	False
	3		None	False

^apScore values, <100 (low), no indication; 100–300 (moderate), weak indication of promiscuity; >300 (high), strong indication of promiscuity.

^binDrug, True, means it was found in the drug data base; False, means not found.