0  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [0,0,0,0,0,0|1,0,1]=2
1  B8R0.3  [C-]#[N+]C(C)C(=O)OCC BB56-0006 [0,0,0,0,0,0|1,0,1]=2
2  B7R0.3  CCO\C=C(\C)C=O BB12-3547 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.5  CN(C)C(=O)CCCl BB12-1527 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.5  CN(C)C(=O)CCO BB12-3663 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.7  CCOC(=N)CCCl BB12-2325 [1,0,0,0,0,0|2,0,0]=3
6  B7R0.7  CCOC(=O)CCO BB12-1446 [1,0,0,0,0,0|1,0,0]=2
7  B7R0.10  CCN(C)C(=O)CCl BB12-2479 [1,0,0,0,0,0|2,0,0]=3
8  B7R0.10  CNC(=O)C(C)NC BB12-3606 [1,0,0,0,0,0|2,0,0]=3
9  B9R0.35  CCOC(=O)C(C)CNC BB12-1638 [0,1,0,0,0,0|0,0,0]=1
10  B9R1.11  CCC(C)C1CCCN1 BB56-0692 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.15  O=CC1CCCCC1=O BB12-3722 [0,0,0,1,0,0|2,0,1]=4
12  B9R0.34  CCOC(=O)CC(C)NC BB12-1298 [0,0,0,0,0,1|1,0,0]=2
13  B6R0.1  C#CC(=O)OCC BB53-1426 [2,0,0,0,0,0|0,0,2]=4
14  B6R0.1  CCNC(C)CO BB12-1659 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.1  CC[C@H](N)COC BB20-3253 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.1  CNC(=O)CCCl BB12-1619 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.1  CNC(=O)CCN BB12-1715 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.1  CNC(=O)CCO BB12-3660 [2,0,0,0,0,0|2,0,0]=4
19  B6R0.1  COC(=O)CCN BB12-2761 [2,0,0,0,0,0|1,0,0]=3
20  B6R0.1  COC(=O)CCO BB12-1300 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.3  CC(C)C(=O)NN BB12-1583 [2,0,0,0,0,0|2,0,0]=4
22  B6R0.3  CN(C)C(=O)CO BB12-3698 [2,0,0,0,0,0|2,0,0]=4
23  B6R0.3  CNC(=O)C(C)Br BB12-1295 [2,0,0,0,0,0|2,0,0]=4
24  B6R0.3  COC(=N)C(C)C BB12-3132 [2,0,0,0,0,0|1,0,0]=3
25  B6R0.3  COC(=O)N(C)N BB12-2783 [2,0,0,0,0,0|2,0,0]=4
26  B6R0.3  CSC(C)C(=O)O BB12-2671 [2,0,0,0,0,0|1,0,0]=3
27  B8R0.2  CCC(Br)C(=O)N(C)C BB12-3689 [1,1,0,0,0,0|2,0,0]=4
28  B8R0.14  CCOC(=O)C(C)(C)Br BB12-3729 [1,1,0,0,0,0|0,0,0]=2
29  B8R0.5  CCOC(=O)CC(=N)N BB20-3533 [1,1,0,0,0,0|1,0,1]=4
30  B8R0.5  CCOC(=O)CC(C)N BB12-1720 [1,1,0,0,0,0|0,0,0]=2
31  B8R0.13  CCC(C)(N)C(=O)OC BB56-0964 [1,1,0,0,0,0|0,0,0]=2
32  B8R0.20  CCC(CN)N(C)CC BB12-3576 [1,1,0,0,0,0|2,0,0]=4
33  B10R0.2  CCNC(C)CC(=O)OCC BB12-1359 [0,1,0,0,0,1|0,0,0]=2
34  B10R0.26  CCOC(=O)CC(C)N(C)C BB12-3647 [0,1,0,0,0,1|1,0,0]=3
35  B10R0.26  CCOC(=O)CN(C)C(C)C BB12-1395 [0,1,0,0,0,1|1,0,0]=3
36  B10R0.101  CCOC(=O)C(CC)N(C)C BB12-3596 [0,2,0,0,0,0|0,0,0]=2
37  B10R0.101  [C-]#[N+]C(C(=O)OCC)C(C)C BB56-0005 [0,2,0,0,0,0|0,0,1]=3
38  B8R1.2  OCC1CCCOC1 BB12-1755 [1,0,0,1,0,0|1,0,1]=4
39  B8R1.22  CC1CCCCCN1 BB12-3099 [1,0,0,1,0,0|2,0,0]=4
40  B8R1.11  CCC1CCCC1=O BB12-2911 [1,0,0,1,0,0|1,0,0]=3