Table 2 Relative binding free energy estimates

-13.2 ± 1.8

5.9 ± 1.5

-2.8 ± 1.6

1.1 ± 1.7

5.5 ± 2.6

-16.9 ± 2.7

-9.6 ± 3.3

-24.8 ± 1.6

-7.9 ± 2.2

1.4 ± 2.2

15.1 ± 4.0

-5.4 ± 3.9

-19.9 ± 6.2

-10.7 ± 3.9

-17.0 ± 3.9

6.6 ± 2.4

-9.5 ± 4.7

-20.7 ± 7.6

-30.0 ± 4.8

-8.3 ± 2.1

-7.0 ± 3.9

2.2 ± 4.0

-8.2 ± 4.2

-10.0 ± 3.4

-13.8 ± 3.4

-11.5 ± 2.0

3.5 ± 2.4

5.0 ± 1.7

-7.0 ± 3.5

-13.9 ± 2.1

8.6 ± 4.0

4.8 ± 2.1

20.0 ± 1.7

-4.3 ± 1.3

8.1 ± 2.6

-12.7 ± 5.7

-2.8 ± 0.8

-9.8 ± 1.7

2.6 ± 1.7

1.2 ± 1.6

1.8 ± 2.3

-10.2 ± 1.9

-2.5 ± 2.7

-7.8 ± 1.6

1.1 ± 4.5

2.2 ± 3.0

3.5 ± 3.1

-16.5 ± 6.2

2.9 ± 5.8

-7.0 ± 1.9

0.1 ± 3.3

0.3 ± 4.4

14.1 ± 3.7

4.7 ± 6.3

-10.6 ± 4.6

-13.2 ± 3.0

-4.9 ± 4.3

-21.7 ± 1.8

-15.9 ± 4.1

-15.8 ± 6.1

37.6 ± 1.6

-0.6 ± 0.8

10.7 ± 1.7

13.1 ± 0.3

3.2 ± 3.4

-19.1 ± 1.6

-15.6 ± 1.6

-23.2 ± 2.1

-4.1 ± 1.9

-15.1 ± 1.6

-2.8 ± 2.7

-30.4 ± 3.3

0.1 ± 2.3

-5.2 ± 3.4

9.7 ± 1.5

2.3 ± 2.2

-3.7 ± 2.3

-18.1 ± 3.6

-0.1 ± 4.0

-11.0 ± 1.9

0.6 ± 1.5

26.3 ± 1.9

26.5 ± 2.7

-20.0 ± 6.1

12.4 ± 3.3

-3.5 ± 1.6

-1.4 ± 0.8

6.3 ± 1.6

-4.3 ± 2.3

-4.4 ± 3.2

-2.8 ± 4.2

-3.9 ± 0.9

5.5 ± 1.8

-9.1 ± 3.8

-9.9 ± 3.5

-15.5 ± 2.2

7.8 ± 5.1

-1.3 ± 1.4

3.1 ± 4.3

1.9 ± 1.5

26.1 ± 3.6

-6.6 ± 3.8

-2.1 ± 2.9

-1.1 ± 3.4

3.3 ± 2.8

16.8 ± 1.4

-5.6 ± 1.9

-10.1 ± 2.3

-10.3 ± 3.8

3.4 ± 3.2

-11.0 ± 2.3

-0.2 ± 1.5

-15.1 ± 3.2

-6.1 ± 5.1

-1.7 ± 5.1

0.9 ± 1.7

10.6 ± 3.5

7.8 ± 1.8

-6.4 ± 3.9

-8.4 ± 3.7