0  B10R0.71  C#CCCCCCCCCO CS-0119650 [0,0,0,0,0,0|2,0,1]=3
1  B10R0.71  CCCCCCCCCCC CS-0148678 [0,0,0,0,0,0|1,0,1]=2
2  B10R0.71  OCCCCCCOCCO CS-0040286 [0,0,0,0,0,0|2,0,2]=4
3  B10R0.71  OCCCCOCCCCCl CS-0641507 [0,0,0,0,0,0|2,0,2]=4
4  B10R0.71  OCCOCCCCCCCl CS-0046339 [0,0,0,0,0,0|2,0,2]=4
5  B9R0.45  C#CCCCCCCCN CS-0889063 [1,0,0,0,0,0|1,0,2]=4
6  B9R0.45  C#CCCCCCCNC CS-0636077 [1,0,0,0,0,0|1,0,2]=4
7  B9R0.45  CCCCC#CCCCCl CS-0363906 [1,0,0,0,0,0|1,0,2]=4
8  B11R0.3  COCCOCCOCCC=O CS-0083864 [0,1,0,0,0,0|2,0,0]=3
9  B11R0.3  [N-]=[N+]=NCCCCCCCCN CS-0613644 [0,1,0,0,0,0|3,0,0]=4
10  B11R0.40  CCCCCCCCC(=O)OC CS-W016024 [0,1,0,0,0,0|2,0,1]=4
11  B11R0.40  CCCCCCCCC(O)CC CS-0197373 [0,1,0,0,0,0|1,0,1]=3
12  B11R1.28  C#CCCNC1CCCCC1 CS-0266264 [0,0,0,1,0,0|2,0,1]=4
13  B11R1.47  CCCCCCOC1CNC1 CS-0297582 [0,0,0,1,0,0|3,0,0]=4
14  B8R0.4  C#CCCCCCCC CS-0204456 [2,0,0,0,0,0|0,0,2]=4
15  B8R0.4  C=CCCCCCCCl CS-0158000 [2,0,0,0,0,0|1,0,1]=4
16  B10R0.4  C=CCCCCCC[C@@H](C)O CS-0047325 [1,1,0,0,0,0|0,0,1]=3
17  B10R0.4  CC(C)CCCCCCCO CS-0504294 [1,1,0,0,0,0|0,0,1]=3
18  B10R0.4  CC(C)CCCCCCCO CS-0647834 [1,1,0,0,0,0|0,0,1]=3
19  B12R0.5  CCCCCCCCCCCC#N CS-W017147 [0,2,0,0,0,0|1,0,1]=4
20  B12R0.5  CCCC\C=C\CCCCCCO CS-0162247 [0,2,0,0,0,0|0,0,2]=4
21  B12R0.5  CCOCCCCCCCCCBr CS-B0286 [0,2,0,0,0,0|1,0,1]=4
22  B12R0.234  CCCCCCCCCCC(O)O CS-0835965 [0,2,0,0,0,0|0,0,2]=4
23  B12R0.234  CCCCCCCC\C=C\C(=O)O CS-0109438 [0,2,0,0,0,0|0,0,1]=3
24  B12R0.234  COCCOCCOCCC(=O)O CS-0036728 [0,2,0,0,0,0|2,0,0]=4
25  B12R0.117  CCCCCC(CO)CCCCC CS-0569088 [0,2,0,0,0,0|1,0,1]=4
26  B10R1.7  O[C@H]1CCCCCC[C@H]1O CS-0160249 [1,0,0,1,0,0|1,0,1]=4
27  B10R1.17  C#CCCC1CCCCC1 CS-0778075 [1,0,0,1,0,0|0,0,2]=4
28  B10R1.19  NCC1CCCCNC1=O CS-0530567 [1,0,0,1,0,0|2,0,0]=4
29  B10R1.19  O=C1CCCCCN1CO CS-0241684 [1,0,0,1,0,0|2,0,0]=4
30  B12R1.18  NCCCN1CCOCCC1=O CS-1186053 [0,1,0,1,0,0|2,0,0]=4
31  B12R1.121  CCC1CCCCN1CCNC CS-1184516 [0,1,0,1,0,0|2,0,0]=4
32  B12R1.923  CCCCCCCC(O)C1CC1 CS-0627152 [0,1,0,1,0,0|1,0,1]=4
33  B12R2.10  O=C1CCCN1C2CCNC2 CS-0224362 [0,0,0,2,0,0|2,0,0]=4
34  B12R2.24  O=C1CCN2CCOCC2C1 CS-0309396 [0,0,0,2,0,0|2,0,0]=4
35  B12R2.517  O=C1CCCCN1C2CNC2 CS-0232388 [0,0,0,2,0,0|2,0,0]=4
36  B12R2.8  O=C1OCCC12CCCCC2 CS-0626229 [0,0,0,2,0,0|1,0,0]=3
37  B12R2.8  O=C1OCCC12CCNCC2 CS-B0360 [0,0,0,2,0,0|2,0,0]=4