0  B9R0.45  BrCCOCCOCCBr T14788 [0,0,0,0,0,0|4,0,0]=4
1  B9R0.45  CCCCCCCCCO TN6912 [0,0,0,0,0,0|4,0,0]=4
2  B9R0.45  ICCOCCOCCI T17319 [0,0,0,0,0,0|4,0,0]=4
3  B9R0.45  NCCCCNCCCN T4893 [0,0,0,0,0,0|3,0,0]=3
4  B9R0.45  NCCCCNCCCN T5080 [0,0,0,0,0,0|3,0,0]=3
5  B9R0.45  NCCNCCNCCN T21300 [0,0,0,0,0,0|0,0,0]=0
6  B9R0.45  NCCOCCOCC#C T16598 [0,0,0,0,0,0|3,0,1]=4
7  B9R0.45  NCCOCCOCCN T16663 [0,0,0,0,0,0|2,0,0]=2
8  B9R0.45  NCCOCCOCCO T16312 [0,0,0,0,0,0|3,0,0]=3
9  B9R0.45  OCCOCCOCCBr T14770 [0,0,0,0,0,0|4,0,0]=4
10  B9R0.45  OCCOCCOCCO T16665 [0,0,0,0,0,0|4,0,0]=4
11  B9R0.45  OCCOCCOCCS T20973 [0,0,0,0,0,0|4,0,0]=4
12  B8R0.4  NCCCCCCCN T7998 [1,0,0,0,0,0|1,0,0]=2
13  B10R0.71  CNCCOCCOCCO T16457 [0,1,0,0,0,0|3,0,0]=4
14  B10R0.71  COCCOCCOCCN T15851 [0,1,0,0,0,0|3,0,0]=4
15  B7R0.1  CCCCCCCO TN6893 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.1  CNCCOCCO T32120 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.1  COCCOCCN T15842 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.1  NCCCNCCS TQ0133 [2,0,0,0,0,0|1,0,0]=3
19  B7R0.1  NCCSSCCN T15035 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.1  NCCSSCCN T20109 [2,0,0,0,0,0|2,0,0]=4
21  B9R0.2  CC(=O)NCCCCCN T5222 [1,1,0,0,0,0|1,0,1]=4
22  B9R0.2  CCCCCNCC(N)=O T24465 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.2  CCCCCNCC(N)=O T50055 [1,1,0,0,0,0|1,0,1]=4
24  B11R0.3  NOCCOCCOCCON T14618 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.8  CCCC1NCCCC1 TN3695 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.8  OCCN1CCCCC1 T33732 [1,0,0,1,0,0|2,0,0]=4
27  B11R1.28  NCCCNC1CCCCC1 T35878 [0,1,0,1,0,0|2,0,0]=4