0  B6R0.6  CSCCN=C=O AT25543 [0,0,0,0,0,0|1,1,0]=2
1  B6R0.6  NNCCCCO AB9420 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.6  O=CNCCCF AT22548 [0,0,0,0,0,0|1,1,2]=4
3  B5R0.2  CCNCCS AT25561 [1,0,0,0,0,0|1,0,2]=4
4  B5R0.2  CCOCC=O AT18655 [1,0,0,0,0,0|1,1,1]=4
5  B5R0.2  CNCCCF AT22549 [1,0,0,0,0,0|1,0,2]=4
6  B5R0.2  NCCCCF D75976 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.2  NCCCCS AT25915 [1,0,0,0,0,0|1,0,2]=4
8  B5R0.2  O=CCCCBr AT24507 [1,0,0,0,0,0|1,1,1]=4
9  B5R0.2  [C-]#[N+]CCSC AT25542 [1,0,0,0,0,0|1,0,2]=4
10  B7R0.1  C#CCCCCCN D76475 [0,1,0,0,0,0|2,0,1]=4
11  B7R0.3  C\C=C(/C)CCCC T72329 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.4  CCCCC[13C](=O)O 41454 [0,1,0,0,0,0|1,1,1]=4
13  B7R0.7  CCC[C@H](O)COC D77523 [0,1,0,0,0,0|3,0,0]=4
14  B7R1.1  C=CN1CCCC1 C11100 [0,0,0,1,0,0|1,0,2]=4
15  B7R1.1  CC[C@H]1CCCN1 RB4030 [0,0,0,1,0,0|2,0,1]=4
16  B7R1.3  N[C@@H]1CCCCN1 F13375 [0,0,0,1,0,0|1,0,2]=4
17  B7R1.4  C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|0,1,2]=4
18  B7R1.5  CCC[C@@H]1ON1C C11697 [0,0,0,1,0,0|3,0,0]=4
19  B6R0.1  CCC[C@H](N)CF AC5307 [1,1,0,0,0,0|1,0,1]=4
20  B6R0.1  CCC[C@H](N)CF AC7092 [1,1,0,0,0,0|1,0,1]=4
21  B6R0.1  CC[C@H](N)CCO AT14304 [1,1,0,0,0,0|0,1,1]=4
22  B6R0.1  CC[C@H](N)CCO AT22343 [1,1,0,0,0,0|0,1,1]=4
23  B6R0.1  CC[C@H](N)CCO AT22346 [1,1,0,0,0,0|0,1,1]=4
24  B6R0.1  CC[C@H](O)CON AT14514 [1,1,0,0,0,0|2,0,0]=4
25  B8R0.7  CC(=O)CCCN=[N+]=[N-] AC8739 [0,2,0,0,0,0|2,0,0]=4
26  B6R1.4  CC1CCC1N AT10478 [1,0,0,1,0,0|1,0,1]=4
27  B6R1.4  CC1CCC1O AC8042 [1,0,0,1,0,0|0,1,1]=4
28  B6R1.6  NOC1CCC1 97654 [1,0,0,1,0,0|2,0,0]=4
29  B6R1.8  CC1CC1CN E73335 [1,0,0,1,0,0|1,0,1]=4
30  B6R1.8  C[C@H]1C[C@@H]1C=O AT23548 [1,0,0,1,0,0|0,1,1]=4
31  B6R1.8  C[C@H]1C[C@@H]1CBr 55227 [1,0,0,1,0,0|1,0,1]=4
32  B6R1.8  C[C@H]1C[C@@H]1CBr AT23414 [1,0,0,1,0,0|1,0,1]=4
33  B6R1.8  C[C@H]1C[C@@H]1CBr AT23416 [1,0,0,1,0,0|1,0,1]=4
34  B6R1.8  C[C@H]1C[C@@H]1CN 73150 [1,0,0,1,0,0|1,0,1]=4
35  B6R1.8  C[C@H]1C[C@@H]1CO AT23417 [1,0,0,1,0,0|0,1,1]=4
36  B6R1.8  C[C@H]1C[C@@H]1CO AT23419 [1,0,0,1,0,0|0,1,1]=4