0  B7R0.11  CNC(C)(C)COC 4027390 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.11  CNCC(C)(C)CO 4025868 [0,0,0,0,0,0|2,0,2]=4
2  B7R0.11  COC(C)(C)CCN 4021563 [0,0,0,0,0,0|2,0,0]=2
3  B7R0.11  COCC(C)(C)CN 4028135 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.1  CCC(C)CCN 4015078 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.1  CNC(C)CCO 4027121 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.1  CNCC(C)OC 4031677 [1,0,0,0,0,0|0,0,2]=3
7  B6R0.1  COC(C)CCN 4043534 [1,0,0,0,0,0|2,0,0]=3
8  B6R0.5  CC(C)(C)CNN 4043230 [1,0,0,0,0,0|1,0,1]=3
9  B6R0.5  CC(C)(O)CCCl 4047844 [1,0,0,0,0,0|2,0,0]=3
10  B6R0.5  CC(C)(O)CCN 4044047 [1,0,0,0,0,0|2,0,0]=3
11  B6R0.5  CC(C)(O)CNN 4085384 [1,0,0,0,0,0|1,0,1]=3
12  B6R0.5  CNCC(C)(C)C 4017477 [1,0,0,0,0,0|0,0,2]=3
13  B6R0.5  CNCC(C)(C)O 4085463 [1,0,0,0,0,0|0,0,2]=3
14  B6R0.5  COCC(C)(C)N 4017683 [1,0,0,0,0,0|2,0,1]=4
15  B6R0.8  C=CC(C)(C)CO 4071188 [1,0,0,0,0,0|2,0,1]=4
16  B6R0.8  CCC(C)(N)CC 4035688 [1,0,0,0,0,0|2,0,1]=4
17  B6R0.8  COC(C)(C)CN 4100459 [1,0,0,0,0,0|0,0,1]=2
18  B8R1.51  CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,0|3,0,0]=4
19  B8R1.51  CC1CNC(C)(C)C1 4044904 [0,0,0,1,0,0|2,0,1]=4
20  B8R1.72  CC1(C)CCCNC1 4029954 [0,0,0,1,0,0|1,0,2]=4
21  B8R1.72  CC1(C)CCNCC1 4023814 [0,0,0,1,0,0|3,0,0]=4
22  B8R1.72  CC1(C)CNCCO1 4017656 [0,0,0,1,0,0|0,0,2]=3
23  B8R1.82  CNC1(COC)CC1 4028295 [0,0,0,1,0,0|2,0,1]=4
24  B5R0.1  CC(O)CNN 4028962 [2,0,0,0,0,0|1,0,1]=4
25  B5R0.1  CNCC(C)O 4035012 [2,0,0,0,0,0|0,0,2]=4
26  B5R0.2  COCCNN 4108243 [2,0,0,0,0,0|1,0,1]=4
27  B5R0.3  CNC(C)CO 4028640 [2,0,0,0,0,0|2,0,0]=4
28  B5R0.3  COC(C)C#N 4045776 [2,0,0,0,0,0|0,0,2]=4
29  B5R0.3  COC(C)CN 4031070 [2,0,0,0,0,0|0,0,1]=3
30  B5R0.3  COC(C)CO 4045600 [2,0,0,0,0,0|1,0,0]=3
31  B7R0.7  CCOC(C)CNC 4030660 [1,1,0,0,0,0|0,0,2]=4
32  B7R0.8  CC(C)(C)CCC#N 4041024 [1,1,0,0,0,0|1,0,1]=4
33  B7R0.8  CC(C)(C)CCCO 4040977 [1,1,0,0,0,0|1,0,1]=4
34  B7R0.8  CC(C)(C)SCCN 4028606 [1,1,0,0,0,0|2,0,0]=4
35  B7R0.8  CCNCC(C)(C)C 4017478 [1,1,0,0,0,0|0,0,2]=4
36  B7R0.8  CNCCC(C)(C)O 4021555 [1,1,0,0,0,0|0,0,2]=4
37  B7R0.14  CC(C)(O)C(O)CN 4070090 [1,1,0,0,0,0|2,0,0]=4
38  B7R0.14  CNC(C)C(C)(C)C 4028680 [1,1,0,0,0,0|0,0,2]=4
39  B7R0.13  CN(C)C(C)(C)CN 4027739 [1,1,0,0,0,0|1,0,1]=4
40  B7R0.13  COC(C)(C)C(=O)O 4021500 [1,1,0,0,0,0|1,0,1]=4
41  B7R1.1  COC1CCNC1 4029717 [1,0,0,1,0,0|0,0,2]=4
42  B7R1.3  CC1CNCCO1 4019021 [1,0,0,1,0,0|0,0,2]=4
43  B7R1.3  C[C@H]1CNCCO1 4038541 [1,0,0,1,0,0|0,0,2]=4
44  B7R1.14  CC1(C)CCNC1 4018853 [1,0,0,1,0,0|0,0,2]=4
45  B7R1.23  CC1(C)CC1CN 4032113 [1,0,0,1,0,0|2,0,0]=4
46  B7R1.23  CC1(C)CC1CO 4033976 [1,0,0,1,0,0|2,0,0]=4
47  B7R1.29  CCC1(CN)CC1 4026723 [1,0,0,1,0,0|1,0,1]=4
48  B9R1.10  CC1(C)OCC(N)CO1 4085381 [0,1,0,1,0,0|2,0,0]=4