0  B9R0.45  CCCCCC#CCCO BB12-2262 [0,0,0,0,0,0|0,0,3]=3
1  B10R0.71  CCCCCCCSCCO BB54-4511 [0,1,0,0,0,0|0,0,2]=3
2  B10R0.74  CCCCCCCC(=O)NN BB12-3109 [0,1,0,0,0,0|2,0,1]=4
3  B10R1.4  CN1CCCCC1CCO BB55-3532 [0,0,0,1,0,0|1,0,2]=4
4  B10R1.17  CCCCC1CCCCN1 BB56-0666 [0,0,0,1,0,0|1,0,2]=4
5  B10R1.17  NCCCC1CCCCC1 BB20-3102 [0,0,0,1,0,0|1,0,2]=4
6  B10R1.17  NCCSC1CCCCC1 BB58-0596 [0,0,0,1,0,0|2,0,1]=4
7  B10R1.17  OCCCC1CCNCC1 BB55-3547 [0,0,0,1,0,0|1,0,2]=4
8  B10R1.17  OCCNC1CCCCC1 BB57-6993 [0,0,0,1,0,0|1,0,1]=3
9  B10R1.85  CCCC1CCCCCN1 BB56-1743 [0,0,0,1,0,0|1,0,2]=4
10  B10R1.85  NCCC1CCCCCC1 BB32-2304 [0,0,0,1,0,0|1,0,2]=4
11  B10R1.85  NCCN1CCCCCC1 BB12-1387 [0,0,0,1,0,0|2,0,1]=4
12  B7R0.1  CCCCOCCN BB53-1642 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.1  CCCCSCCN BB57-6671 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.1  CCCCSCCO BB54-1800 [2,0,0,0,0,0|1,0,0]=3
15  B7R0.1  [C-]#[N+]CCCCCC BB56-1203 [2,0,0,0,0,0|1,0,1]=4
16  B9R0.2  CCCCCCC[13C](=O)O BB54-5277 [1,1,0,0,0,0|0,0,1]=3
17  B9R0.2  CCCCSCCC(=O)O BB54-0237 [1,1,0,0,0,0|1,0,1]=4
18  B9R0.46  CCCCCCC(=O)NN BB12-1542 [1,1,0,0,0,0|2,0,0]=4
19  B11R0.4  CCCCCCNC(=O)CC#N BB12-1364 [0,2,0,0,0,0|2,0,0]=4
20  B11R0.4  CCCCSCCC(=O)OCC BB54-0238 [0,2,0,0,0,0|2,0,0]=4
21  B11R0.3  CCCCCCCCSCCO BB54-1797 [0,2,0,0,0,0|0,0,2]=4
22  B9R1.8  CNCC1CCCCO1 BB12-3612 [1,0,0,1,0,0|1,0,1]=4
23  B9R1.8  NCCC1CCCCC1 BB55-8639 [1,0,0,1,0,0|1,0,1]=4
24  B9R1.8  NCCC1CCCCO1 BB57-6510 [1,0,0,1,0,0|1,0,1]=4
25  B9R1.8  OCCC1CCCCO1 BB58-1902 [1,0,0,1,0,0|1,0,1]=4
26  B9R1.8  OCCC1CCCOC1 BB58-0315 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.12  CCCCC1CCCN1 BB56-0702 [1,0,0,1,0,0|1,0,1]=4
28  B9R1.12  CCCCC1CCNC1 BB56-1976 [1,0,0,1,0,0|1,0,1]=4
29  B9R1.12  NCCCC1CCCC1 BB32-3179 [1,0,0,1,0,0|1,0,1]=4
30  B9R1.14  CCN1CCCC1CO BB12-1536 [1,0,0,1,0,0|1,0,1]=4
31  B9R1.15  CC1CCCC\C1=N\O BB12-1622 [1,0,0,1,0,0|1,0,0]=3
32  B9R1.15  CN[C@@H]1CCCC[C@H]1O BB58-0623 [1,0,0,1,0,0|1,0,1]=4
33  B9R1.50  O=C1CCCCCCC1 BB12-2910 [1,0,0,1,0,0|0,0,2]=4
34  B9R1.89  CCC1CCCNCC1 BB12-1654 [1,0,0,1,0,0|1,0,1]=4
35  B11R1.51  CCC1CNCCCN1CO BB57-1042 [0,1,0,1,0,0|1,0,1]=4
36  B11R1.40  NCC(=O)NC1CCCCC1 BB53-1341 [0,1,0,1,0,0|2,0,0]=4
37  B11R2.20  C1CCC2OCCNC2C1 BB54-2969 [0,0,0,2,0,0|1,0,1]=4