N-Dealkylation
No selection
Top-1
Top-2
Top-3
28
1
0.450
31
2
-0.245
42
3
-0.318
50
3
-0.318
51
3
-0.318
47
4
-0.344
48
4
-0.344
35
5
-0.385
37
5
-0.385
29
6
-0.422
45
7
-0.440
46
8
-0.442
41
9
-0.443
43
10
-0.446
33
11
-0.462
17
12
-0.488
49
13
-0.503
39
14
-0.507
20
15
-0.508
40
16
-0.509
34
17
-0.517
36
17
-0.517
18
18
-0.558
12
19
-0.563
23
20
-0.572
52
21
-0.586
38
22
-0.591
32
23
-0.597
27
24
-0.606
26
25
-0.618
19
26
-0.630
13
27
-0.637
14
28
-0.649
24
29
-0.654
22
30
-0.670
15
31
-0.683
25
32
-0.687
30
33
-0.700
3
34
-0.707
2
35
-0.713
8
35
-0.713
1
36
-0.715
10
37
-0.716
6
38
-0.720
9
39
-0.775
16
39
-0.775
44
40
-0.786
7
41
-0.790
11
42
-0.803
5
43
-0.831
4
44
-0.839
21
45
-0.880