Table 1 Dataset

1

O

Cl

Ph

0.748188

2

O

Cl

2-Cl-Ph

0.70757

3

O

Cl

3-Cl-Ph

1.238046

4

O

Cl

4-Cl-Ph

0.919078

5

O

Cl

2-MeO-Ph

1.161368

6

O

Cl

3,4-(MeO)₂-Ph

2.180986

7

O

Cl

2-CF₃O-Ph

0.342423

8

O

Cl

4-CF₃O-Ph

1.139879

9

O

Cl

2-CF₃-Ph

1.235528

10

O

Cl

4-CF₃-Ph

1.227887

11

O

Cl

4-Me-Ph

1.209515

12

O

Cl

2,5-Me₂-Ph

1.143015

13

O

Cl

3-NO₂-Ph

0.94939

14

O

Cl

4-Cyano-Ph

1.11059

15

O

Cl

4-Cyanomethyl-Ph

1.113943

16

O

H

Ph

2.474508

17

O

H

3-Cl-Ph

2.150756

18

O

H

4-Cl-Ph

1.557507

19

O

H

2-MeO-Ph

2.232488

20

NMe

Cl

Ph

1.033424

21

NMe

Cl

2-Cl-Ph

0.755875

22

NMe

Cl

3-Cl-Ph

1.164353

23

NMe

Cl

4-Cl-Ph

1.532754

24

NMe

Cl

2-MeO-Ph

0.544068

25

NMe

Cl

3-MeO-Ph

1.912753

26

NMe

Cl

3,4-MeO₂-Ph

0.944483

27

NMe

Cl

2CF₃-Ph

1.834421

28

NMe

Cl

4-CF₃-Ph

2.115943

29

NMe

Cl

2-(4-Cl-Phenyl)-Ph

2.439806

30

NMe

Cl

4-t-Bu-PhCH₂

0.973128

31

NMe

Cl

6-Cl-Pyridin-3-yl-CH₂

0.875061

32

NMe

Cl

4-Cl-PhCH₂CH₂

0.462398

33

NMe

Cl

1-naphthalene

1.884795

34

NMe

H

Ph

2.635383

35

NMe

H

2-MeO-Ph

1.751279

36

NMe

H

PhCH₂

2.074085

37

NMe

H

4-t-Bu-PhCH₂

2.121888