0  B8R0.5  CCCC(N)CC(=O)O BB12-1701 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.5  CCOC(=O)CC(=N)N BB20-3533 [0,0,0,0,0,0|2,0,0]=2
2  B8R0.5  CCOC(=O)CC(C)N BB12-1720 [0,0,0,0,0,0|1,0,1]=2
3  B7R0.2  CCN(C)CC(=O)O BB12-1321 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.2  CCN(C)CC(C)=O BB12-2316 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.2  CNC(=O)CC(C)N BB12-1658 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.4  CCCSCC(=O)O BB12-3263 [1,0,0,0,0,0|3,0,0]=4
7  B7R0.4  CCSCCC(=O)O BB12-3270 [1,0,0,0,0,0|1,1,1]=4
8  B7R0.7  CCOC(=N)CCCl BB12-2325 [1,0,0,0,0,0|2,0,1]=4
9  B7R0.7  CCOC(=O)CCO BB12-1446 [1,0,0,0,0,0|0,0,2]=3
10  B9R0.34  CCOC(=O)CC(C)NC BB12-1298 [0,1,0,0,0,0|1,0,1]=3
11  B9R1.137  CC(=O)CC(=O)C1CC1 BB12-3707 [0,0,0,1,0,0|1,0,0]=2
12  B6R0.1  C#CC(=O)OCC BB53-1426 [2,0,0,0,0,0|0,0,2]=4
13  B6R0.1  COC(=O)CCN BB12-2761 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.1  COC(=O)CCO BB12-1300 [2,0,0,0,0,0|0,0,2]=4
15  B6R0.2  CC(N)CC(=O)O BB12-2890 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.4  CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,1,0]=4
17  B6R0.4  COCCC(=O)Cl BB20-1617 [2,0,0,0,0,0|1,0,1]=4
18  B8R0.34  CCS(=O)(=O)CC(=O)O BB12-3267 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.1  CCOC(=N)CCCCl BB12-2324 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.1  CCOC(=O)CCC#N BB12-3513 [1,1,0,0,0,0|0,0,2]=4
21  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [1,1,0,0,0,0|0,0,2]=4
22  B8R0.3  [C-]#[N+]C(C)C(=O)OCC BB56-0006 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.14  CCOC(=O)C(C)(C)Br BB12-3729 [0,1,0,0,1,0|1,0,1]=4
24  B10R0.26  CCOC(=O)CC(C)N(C)C BB12-3647 [0,1,0,0,0,1|2,0,0]=4
25  B10R0.26  CCOC(=O)CN(C)C(C)C BB12-1395 [0,1,0,0,0,1|1,0,1]=4
26  B10R0.96  CC(C)NC(=O)NCC(=O)O BB26-0326 [0,1,0,0,0,1|2,0,0]=4
27  B10R0.108  CCOC(=O)CNC(=S)NN BB10-0003 [0,1,0,0,0,1|1,1,0]=4
28  B10R0.101  CCOC(=O)C(CC)N(C)C BB12-3596 [0,2,0,0,0,0|2,0,0]=4
29  B10R0.101  CCOC(=O)\C(=N\O)C(C)=O BB12-1908 [0,2,0,0,0,0|0,0,1]=3
30  B10R0.101  [C-]#[N+]C(C(=O)OCC)C(C)C BB56-0005 [0,2,0,0,0,0|1,0,1]=4
31  B10R0.2  CCNC(C)CC(=O)OCC BB12-1359 [0,2,0,0,0,0|1,0,1]=4
32  B8R1.22  O=C1CCOCCN1 BB20-4217 [1,0,0,1,0,0|1,0,1]=4
33  B8R1.11  CCC1CCCC1=O BB12-2911 [1,0,0,1,0,0|1,0,1]=4
34  B8R1.5  O=C1OCCCC1Br BB17-3008 [0,0,0,1,1,0|1,0,1]=4
35  B10R1.61  NC(=O)C1CCCCC1=O BB12-2086 [0,1,0,1,0,0|2,0,0]=4
36  B10R1.61  O=C(O)C1CCCNC1=O BB12-1633 [0,1,0,1,0,0|2,0,0]=4
37  B10R1.329  CC1(C)OC(=O)CC(=O)O1 BB12-2778 [0,1,0,1,0,0|1,0,0]=3
38  B6R0.3  COC(=O)N(C)N BB12-2783 [1,0,0,0,1,0|2,0,0]=4