0  B10R0.2  CCNC(C)CC(=O)OCC BB12-1359 [0,0,0,0,0,0|2,0,1]=3
1  B9R0.5  CCNCCC(=O)OCC BB12-1650 [1,0,0,0,0,0|1,0,1]=3
2  B9R0.5  [C-]#[N+]CCCC(=O)OCC BB56-1524 [1,0,0,0,0,0|1,0,2]=4
3  B9R0.34  CCOC(=O)CC(C)NC BB12-1298 [1,0,0,0,0,0|2,0,1]=4
4  B11R0.1  CCOC(=O)CC(=O)CC(C)C BB20-4556 [0,1,0,0,0,0|0,0,0]=1
5  B11R0.5  CCOC(=O)CN(C)CCOC BB12-3668 [0,1,0,0,0,0|2,0,0]=3
6  B11R0.187  CCOC(=O)CC(C)N(C)CC BB12-3255 [0,1,0,0,0,0|2,0,1]=4
7  B11R1.30  CCOC(=O)CN1CCCC1 BB12-2887 [0,0,0,1,0,0|2,0,0]=3
8  B11R1.199  CCOC(=O)C1C=NOC1=O BB55-8114 [0,0,0,1,0,0|2,0,1]=4
9  B11R1.199  CCOC(=O)C1CCCC1=O BB01-7563 [0,0,0,1,0,0|0,0,0]=1
10  B11R1.334  CCOC(=O)CC(=O)C1CC1 BB05-3800 [0,0,0,1,0,0|0,0,0]=1
11  B9R0.35  CCOC(=O)C(C)CNC BB12-1638 [0,0,0,0,1,0|2,0,1]=4
12  B8R0.1  CCOC(=N)CCCCl BB12-2324 [2,0,0,0,0,0|2,0,0]=4
13  B8R0.1  CCOC(=O)CCC#N BB12-3513 [2,0,0,0,0,0|1,0,1]=4
14  B8R0.1  CCOC(=O)CCNC BB57-3648 [2,0,0,0,0,0|1,0,0]=3
15  B8R0.6  COCCCC(=O)OC BB57-3708 [2,0,0,0,0,0|1,0,1]=4
16  B8R0.5  CCCC(N)CC(=O)O BB12-1701 [2,0,0,0,0,0|1,0,1]=4
17  B8R0.5  CCNC(=O)CC(=O)O BB57-2976 [2,0,0,0,0,0|1,0,0]=3
18  B8R0.5  CCOC(=O)CC(=N)N BB20-3533 [2,0,0,0,0,0|2,0,0]=4
19  B8R0.5  CCOC(=O)CC(C)N BB12-1720 [2,0,0,0,0,0|1,0,1]=4
20  B8R0.5  COCC(=O)CC(C)=O BB58-1952 [2,0,0,0,0,0|1,0,0]=3
21  B10R0.26  CCOC(=O)CN(C)C(C)C BB12-1395 [1,1,0,0,0,0|2,0,0]=4
22  B12R0.69  CCOC(=O)CC(N)C(=O)OCC BB01-6366 [0,1,0,0,0,1|1,0,0]=3
23  B12R0.78  CCOC(=O)CC(=O)CS(C)(=O)=O BB58-3534 [0,2,0,0,0,0|1,0,0]=3
24  B12R0.191  CCOC(=O)N(C)C(=O)CC(C)=O BB57-4689 [0,2,0,0,0,0|1,0,1]=4
25  B12R0.283  CCOC(=O)CC(=O)CCC(C)C BB57-3307 [0,2,0,0,0,0|0,0,0]=2
26  B10R1.10  CCCN1CCCC(=O)C1 BB55-8107 [1,0,0,1,0,0|2,0,0]=4
27  B10R1.138  CCOC(=O)CNC1CC1 BB58-1112 [1,0,0,1,0,0|1,0,0]=3
28  B10R1.197  CCC1CCNC(=O)CC1 BB12-1630 [1,0,0,1,0,0|1,0,1]=4
29  B10R1.27  COC(=O)CC1CCCO1 BB54-2996 [1,0,0,1,0,0|0,0,2]=4
30  B12R1.32  CCOC(=O)CC1CCCCO1 BB54-2973 [0,1,0,1,0,0|0,0,2]=4
31  B12R1.32  CCOC(=O)CN1CCCCC1 BB12-3620 [0,1,0,1,0,0|2,0,0]=4
32  B12R1.32  CCOC(=O)CN1CCOCC1 BB12-1546 [0,1,0,1,0,0|2,0,0]=4
33  B12R1.32  CCOC(=O)CN1CCSCC1 BB55-4773 [0,1,0,1,0,0|2,0,0]=4
34  B12R1.308  CCOC(=O)C1=C(N)CCCC1 BB57-6559 [0,1,0,1,0,0|1,0,1]=4
35  B12R1.316  CCOC(=O)C1CCCN1CC BB12-2901 [0,1,0,1,0,0|2,0,0]=4
36  B12R1.316  CCOC(=O)[C@@H]1CCCN1CC BB12-3029 [0,1,0,1,0,0|2,0,0]=4
37  B12R1.1687  COC(=O)C(=O)CC(=O)C1CC1 BB57-2073 [0,1,0,1,0,0|2,0,0]=4
38  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [1,0,0,0,1,0|0,0,0]=2