 |
R126721 |
339.47 |
1.50 |
2 |
1 |
4 |
4 |
-8.37 7.31 7.93 |
AnilineSecondary AmineSecondary AmineTertiary |
2 |
-9.44 |
-7.78 |
5.84 |
1 |
 |
R288748 |
482.65 |
4.93 |
3 |
5 |
5 |
3 |
7.56 8.43 |
AmineTertiary AmineSecondary |
2 |
4.05 |
4.68 |
5.56 |
2 |
 |
R406449 |
337.46 |
3.39 |
1 |
1 |
1 |
4 |
7.76 7.9 |
AnilineTertiary AmineSecondary |
2 |
-8.24 |
-3.79 |
5.72 |
3 |
 |
R417831 |
274.36 |
3.96 |
1 |
4 |
9 |
4 |
7.36 |
AmineSecondary |
2 |
11.20 |
-5.99 |
4.52 |
4 |
 |
R465402 |
228.33 |
4.18 |
2 |
0 |
4 |
4 |
8.26 8.26 |
AmineSecondary AmineSecondary |
2 |
0.25 |
-7.98 |
5.22 |
5 |
 |
R538221 |
328.41 |
-0.09 |
2 |
2 |
6 |
4 |
9.57 9.57 |
AmineSecondary AmineSecondary |
2 |
-6.96 |
-6.91 |
4.98 |
6 |
 |
R552658 |
288.41 |
6.03 |
2 |
0 |
1 |
3 |
8.15 9.74 |
AmineSecondary AmineSecondary |
2 |
-1.11 |
-6.95 |
5.96 |
7 |
 |
R594563 |
448.64 |
5.13 |
5 |
6 |
13 |
3 |
9.03 9.6 |
AmineSecondary AmineSecondary |
2 |
17.22 |
-2.14 |
5.55 |
8 |
 |
R595519 |
208.34 |
1.60 |
1 |
0 |
3 |
4 |
7.77 8.79 |
AmineTertiary AmineSecondary |
2 |
1.97 |
-6.31 |
4.57 |
9 |
 |
R644315 |
236.40 |
2.64 |
1 |
0 |
5 |
4 |
8.25 9.31 |
AmineTertiary AmineSecondary |
2 |
2.05 |
-6.43 |
5.35 |
10 |
 |
R644323 |
270.41 |
2.03 |
2 |
0 |
5 |
4 |
8.79 9.15 |
AmineSecondary AmineSecondary |
2 |
0.07 |
-7.10 |
5.39 |
11 |
 |
R644331 |
194.32 |
1.28 |
2 |
0 |
4 |
4 |
8.01 10.16 |
AmineSecondary AmineSecondary |
2 |
0.97 |
-6.34 |
4.51 |
12 |
 |
R645966 |
733.94 |
11.75 |
3 |
2 |
8 |
2 |
-0.77 8.29 8.79 |
Pyrrole AmineSecondary AmineSecondary |
2 |
6.56 |
281.90 |
6.91 |
13 |
 |
R646148 |
1060.29 |
15.99 |
5 |
4 |
10 |
2 |
-0.77 -0.77 3.32 9.01 9.01 |
Pyrrole Pyrrole AnilineSecondary AmineSecondary AmineSecondary |
2 |
0.32 |
5.65 |
6.91 |
14 |
 |
R646180 |
919.12 |
12.56 |
4 |
4 |
12 |
2 |
-0.77 -0.77 9.01 9.01 |
Pyrrole Pyrrole AmineSecondary AmineSecondary |
2 |
5.86 |
533.01 |
6.28 |
15 |
 |
R663964 |
384.39 |
1.42 |
2 |
5 |
3 |
4 |
8.48 10.81 |
AmineSecondary AmineSecondary |
2 |
-14.84 |
-1.31 |
6.12 |
16 |
 |
R679054 |
323.26 |
2.32 |
2 |
2 |
12 |
4 |
7.74 7.74 |
AmineSecondary AmineSecondary |
2 |
2.55 |
-6.88 |
5.28 |
17 |
 |
R723843 |
634.85 |
8.02 |
2 |
2 |
9 |
2 |
8.63 8.63 |
AmineSecondary AmineSecondary |
2 |
1.93 |
80.13 |
5.87 |
18 |
 |
R737976 |
486.86 |
8.55 |
2 |
2 |
31 |
3 |
9.81 9.81 |
AmineSecondary AmineSecondary |
2 |
6.42 |
15.09 |
3.59 |
19 |
 |
R855901 |
431.55 |
3.85 |
1 |
1 |
4 |
4 |
3.62 8.2 8.25 |
Imine AmineTertiary AmineSecondary |
2 |
-24.84 |
-6.74 |
6.03 |
20 |
 |
R856509 |
423.57 |
4.09 |
1 |
1 |
4 |
4 |
3.62 8.2 8.25 |
Imine AmineTertiary AmineSecondary |
2 |
-12.85 |
-7.85 |
6.10 |
21 |
 |
R868221 |
348.47 |
0.96 |
5 |
0 |
7 |
4 |
9.67 11.14 |
AmineSecondary AnilineSecondary |
2 |
-1.57 |
-7.93 |
5.64 |
22 |
 |
R898775 |
359.89 |
2.06 |
2 |
1 |
4 |
4 |
-9.61 7.26 7.93 |
AnilineSecondary AmineSecondary AmineTertiary |
2 |
-11.67 |
-6.87 |
6.09 |
23 |
 |
R901520 |
384.47 |
2.96 |
3 |
1 |
4 |
4 |
1.57 8.26 8.26 |
Imine AmineSecondary AmineSecondary |
2 |
-6.43 |
-9.99 |
6.05 |
24 |