0  B7R0.1  C=CCSSCC=C TN1576 [0,0,0,0,0,0|0,0,4]=4
1  B7R0.1  CCCCCCCO TN6893 [0,0,0,0,0,0|3,0,0]=3
2  B7R0.1  CCCSSCCC TN6758 [0,0,0,0,0,0|0,0,0]=0
3  B7R0.1  CNCCOCCO T32120 [0,0,0,0,0,0|3,1,0]=4
4  B7R0.1  COCCOCCBr T18161 [0,0,0,0,0,0|3,1,0]=4
5  B7R0.1  COCCOCCN T15842 [0,0,0,0,0,0|3,1,0]=4
6  B7R0.1  NCCCNCCS TQ0133 [0,0,0,0,0,0|4,0,0]=4
7  B7R0.1  NCCSSCCN T15035 [0,0,0,0,0,0|2,0,0]=2
8  B7R0.1  NCCSSCCN T20109 [0,0,0,0,0,0|2,0,0]=2
9  B7R0.1  NCCSSCCO T14257 [0,0,0,0,0,0|2,0,0]=2
10  B6R0.6  CC/C=C\CCO T22295 [1,0,0,0,0,0|2,0,1]=4
11  B6R0.6  CCC/C=C/CO TN5162 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.6  CCCCCCO TN6891 [1,0,0,0,0,0|2,0,0]=3
13  B6R0.6  ClCCNCCCl T0565 [1,0,0,0,0,0|3,0,0]=4
14  B6R0.6  NCCCCCN T4895 [1,0,0,0,0,0|3,0,0]=4
15  B6R0.6  NCCOCCN T14009 [1,0,0,0,0,0|2,1,0]=4
16  B6R0.6  OCCOCCBr T14787 [1,0,0,0,0,0|2,1,0]=4
17  B6R0.6  OCCOCCO T21019 [1,0,0,0,0,0|2,1,0]=4
18  B8R0.4  NCCCCCCCN T7998 [0,1,0,0,0,0|3,0,0]=4
19  B8R0.6  CCCCCC(O)CC TN1267 [0,1,0,0,0,0|2,0,0]=3
20  B8R0.7  CCCCCCC(C)=O TN6693 [0,1,0,0,0,0|2,0,1]=4
21  B5R0.2  CCCSSC T39668 [2,0,0,0,0,0|0,0,0]=2
22  B5R0.2  NCCCCN T22213 [2,0,0,0,0,0|2,0,0]=4
23  B9R0.2  CCCCCCCC(C)=O T29360 [0,2,0,0,0,0|2,0,0]=4
24  B9R0.2  CCCCCCCC(C)O TN6692 [0,2,0,0,0,0|2,0,0]=4
25  B9R0.2  NCCSSCCC(O)=O T14258 [0,2,0,0,0,0|1,0,1]=4
26  B9R0.45  C=CCCCCCCCC T21040 [0,2,0,0,0,0|2,0,0]=4
27  B9R0.45  CCCC/C=C\CCCC T31276 [0,2,0,0,0,0|2,0,0]=4
28  B9R0.45  CCCCCCCCCO TN6912 [0,2,0,0,0,0|2,0,0]=4
29  B9R0.45  NCCCCNCCCN T4893 [0,2,0,0,0,0|2,0,0]=4
30  B9R0.45  NCCCCNCCCN T5080 [0,2,0,0,0,0|2,0,0]=4
31  B9R0.45  NCCSSCCN=[N+]=[N-] T14484 [0,2,0,0,0,0|2,0,0]=4
32  B9R0.45  OCCSSCCN=[N+]=[N-] T25132 [0,2,0,0,0,0|2,0,0]=4
33  B9R1.8  CCCC1NCCCC1 TN3695 [0,1,0,1,0,0|2,0,0]=4
34  B9R1.50  OC1CCC/C=C/CC1 T18751 [0,1,0,1,0,0|2,0,0]=4
35  B9R1.50  O[C@@H]1CCC/C=C/CC1 T18648 [0,1,0,1,0,0|2,0,0]=4