0  B7R0.7  CCNC(C)CCO BB12-1398 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.7  CCOC(=N)CCCl BB12-2325 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.7  CCOC(=O)CCO BB12-1446 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.1  CC(CN)CCN BB12-1906 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.1  CCNC(C)CO BB12-1659 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.1  CC[C@H](N)COC BB20-3253 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.1  CNC(C)CCO BB12-1373 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.6  CCSCCNC BB12-0971 [1,0,0,0,0,0|2,1,0]=4
8  B8R0.1  CCOC(=N)CCCCl BB12-2324 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.3  CCN(C)C(C)CCN BB12-1353 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [0,1,0,0,0,0|2,0,1]=4
11  B8R0.5  CCOC(=O)CC(C)N BB12-1720 [0,1,0,0,0,0|2,0,1]=4
12  B8R0.22  C#CC(OCC)OCC BB12-2983 [0,1,0,0,0,0|0,0,1]=2
13  B8R1.4  CC1CNCC(C)N1 BB20-4583 [0,0,0,1,0,0|3,0,0]=4
14  B8R1.8  CCCC1CCCN1 BB56-1742 [0,0,0,1,0,0|2,0,0]=3
15  B8R1.8  CCOC1CCNC1 BB12-1138 [0,0,0,1,0,0|2,0,0]=3
16  B8R1.8  CNCC1CCCC1 BB12-1620 [0,0,0,1,0,0|3,0,0]=4
17  B8R1.8  COCC1CCCN1 BB56-0037 [0,0,0,1,0,0|3,0,0]=4
18  B8R1.8  CSCC1CCCN1 BB56-0633 [0,0,0,1,0,0|3,0,0]=4
19  B8R1.8  NCCC1CCCC1 BB12-2130 [0,0,0,1,0,0|3,0,0]=4
20  B8R1.8  NCCC1CCCN1 BB20-3166 [0,0,0,1,0,0|3,0,0]=4
21  B8R1.22  CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|2,0,0]=3
22  B8R1.22  CC1CCCNCC1 BB12-1445 [0,0,0,1,0,0|3,0,0]=4
23  B5R0.1  CCOC(C)=N BB12-3674 [2,0,0,0,0,0|1,0,1]=4
24  B5R0.1  CNCC(C)O BB12-1288 [2,0,0,0,0,0|2,0,0]=4
25  B5R0.2  CCSCCN BB53-1545 [2,0,0,0,0,0|1,1,0]=4
26  B5R0.3  CCC(C)NC BB53-1672 [2,0,0,0,0,0|1,0,0]=3
27  B5R0.3  CNC(C)CO BB12-1570 [2,0,0,0,0,0|2,0,0]=4
28  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [2,0,0,0,0,0|1,0,1]=4
29  B7R0.3  CCN(C)CCCN BB12-1555 [1,1,0,0,0,0|2,0,0]=4
30  B7R0.3  CCN(C)CCCO BB12-3254 [1,1,0,0,0,0|2,0,0]=4
31  B7R0.11  COC(C)(C)CCN BB12-2310 [1,1,0,0,0,0|2,0,0]=4
32  B7R0.12  CCOC(CC)CBr BB12-3730 [1,1,0,0,0,0|0,0,0]=2
33  B7R0.1  CCCCOCCN BB53-1642 [1,1,0,0,0,0|1,0,0]=3
34  B9R0.35  CCOC(=O)C(C)CNC BB12-1638 [0,2,0,0,0,0|2,0,0]=4
35  B9R0.17  CCCC(OCC)OCC BB12-3705 [0,2,0,0,0,0|0,0,0]=2
36  B7R1.1  CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|2,0,0]=4
37  B7R1.6  CNCC1CCC1 BB12-1623 [1,0,0,1,0,0|2,0,0]=4
38  B9R1.8  CNCC1CCCCO1 BB12-3612 [0,1,0,1,0,0|2,0,0]=4
39  B9R1.12  CCCCC1CCCN1 BB56-0702 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.11  CCC(C)C1CCCN1 BB56-0692 [0,1,0,1,0,0|2,0,0]=4
41  B9R1.13  CC(C)CC1CCCN1 BB56-0309 [0,1,0,1,0,0|2,0,0]=4
42  B9R1.14  CCN1CCCC1CBr BB12-2883 [0,1,0,1,0,0|2,0,0]=4
43  B9R1.14  CCN1CCCC1CO BB12-1536 [0,1,0,1,0,0|2,0,0]=4