Table 1.

Structure of the dataset compounds and pIC₅₀ values.

Inhibitor	Structure	pIC50 a
1		6.00
2 *		6.92
3		6.44
4 *		6.39
5		6.30
6		6.30
7		6.28
8		6.24
9 *		6.22
10		6.22
11		6.18
12 *		6.15
13		6.12
14		6.68
15		5.77
16 *		5.74
17		5.74
18		5.70
19		5.60
20		5.55
21 *		5.52
22		5.51
23		5.49
24		5.49
25 *		5.32
26		5.21
27 *		5.21
28		4.11
29		4.00
30 *		4.00
31		4.00
32		4.00
33		4.00
34		4.00
35		4.00
36 *		4.00
37		4.00

^a pIC₅₀ (−log IC₅₀); * test set compounds.