0  B9R0.45  CCCCCCCCCC S11595 [0,0,0,0,0,0|4,0,0]=4
1  B9R0.45  CCCCCCCCCCl D89217 [0,0,0,0,0,0|4,0,0]=4
2  B9R0.45  CCCCCCCCCN D91670 [0,0,0,0,0,0|3,0,0]=3
3  B9R0.45  OCCNCCOCCO AT13064 [0,0,0,0,0,0|3,0,0]=3
4  B8R0.4  CCCCOCCCN 29096 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.4  ClCCCCCCCBr D89022 [1,0,0,0,0,0|3,0,0]=4
6  B10R0.71  CCCCOCCOCCN AT13075 [0,1,0,0,0,0|3,0,0]=4
7  B10R0.71  CNCCOCCOCCO C70213 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.85  ClCCN1CCCCCC1 H11734 [0,0,0,1,0,0|3,0,0]=4
9  B10R1.85  NCCC1CCCCCC1 F10354 [0,0,0,1,0,0|3,0,0]=4
10  B10R1.85  NCCN1CCCCCC1 C11319 [0,0,0,1,0,0|2,0,0]=3
11  B7R0.1  CCCCCCCC A10542 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.1  CCCCCCCN F17097 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.1  CCCCNCCN A10255 [2,0,0,0,0,0|0,0,0]=2
14  B7R0.1  CCCCSCCO T71016 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.1  CCCNCCOC D91418 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.1  CCCOCCCN D92070 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.1  CCNCCCCO D90525 [2,0,0,0,0,0|1,0,0]=3
18  B7R0.1  CCNCCNCC F15441 [2,0,0,0,0,0|0,0,0]=2
19  B7R0.1  NCCSSCCN D97659 [2,0,0,0,0,0|2,0,0]=4
20  B11R0.3  CNCCOCCOCCNC AT13067 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.8  BrCCN1CCOCC1 75915 [1,0,0,1,0,0|2,0,0]=4
22  B9R1.8  C=CCN1CCNCC1 A10345 [1,0,0,1,0,0|1,0,1]=4
23  B9R1.8  CCC[C@H]1CCCCN1 F16896 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.8  CCO[C@H]1CCCNC1 61512 [1,0,0,1,0,0|2,0,0]=4
25  B9R1.8  ClCCN1CCCCC1 D87923 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.8  NCCN1CCSCC1 H11857 [1,0,0,1,0,0|1,0,0]=3
27  B9R1.8  OCC[C@H]1CNCCN1 F13481 [1,0,0,1,0,0|1,0,0]=3
28  B9R1.33  NCCN1CCNC1=O A10417 [1,0,0,1,0,0|1,0,1]=4
29  B9R1.89  NCC1CCCCCC1 C10073 [1,0,0,1,0,0|2,0,0]=4
30  B11R2.20  C1CCN2CCNC[C@@H]2C1 59835 [0,0,0,2,0,0|2,0,0]=4
31  B11R2.106  CC1NCCN2CCCC12 D72836 [0,0,0,2,0,0|2,0,0]=4
32  B11R2.2  C1CN[C@H]([C@@H]2CCCN2)C1 D78891 [0,0,0,2,0,0|2,0,0]=4