0  B10R0.71  CCCCCCCC#CCO 19498 [0,0,0,0,0,0|0,0,4]=4
1  B10R0.71  CCCCCC\C=C\CCO 102648 [0,0,0,0,0,0|0,0,4]=4
2  B10R0.71  COCOCCCCCCCl 102441 [0,0,0,0,0,0|3,0,1]=4
3  B10R0.71  C\C=C/C\C=C/CCCCC 100795 [0,0,0,0,0,0|1,0,3]=4
4  B10R0.71  C\C=C\C=C\CCCCCC 100519 [0,0,0,0,0,0|1,0,3]=4
5  B10R0.71  N#CCCCCCCCCO 102452 [0,0,0,0,0,0|2,0,1]=3
6  B9R0.45  C=C\C=C/CCCCCC 102636 [1,0,0,0,0,0|0,0,3]=4
7  B9R0.45  CCCC\C=C/CCCC 102626 [1,0,0,0,0,0|0,0,3]=4
8  B9R0.45  FCCCCCCCCF 102291 [1,0,0,0,0,0|2,0,0]=3
9  B9R0.45  OCCCCCCCCBr 102270 [1,0,0,0,0,0|1,0,1]=3
10  B11R0.3  CCCC\C=C\CCCCCC 100547 [0,1,0,0,0,0|1,0,2]=4
11  B11R0.3  C\C=C\CCCCCCCCO 102450 [0,1,0,0,0,0|1,0,1]=3
12  B11R0.148  C=CCCCCCCCC(=O)O 102318 [0,1,0,0,0,0|0,0,2]=3
13  B11R0.148  CCCCCCC\C=C\C(=O)O 16791 [0,1,0,0,0,0|0,0,2]=3
14  B11R1.17  CCN\C=C1\CCCCC1=O 13506 [0,0,0,1,0,0|1,0,2]=4
15  B11R1.180  CCCCCC1=CCCC1=O 16119 [0,0,0,1,0,0|0,0,2]=3
16  B11R1.180  CCCCCC1CC=CC1=O 16120 [0,0,0,1,0,0|0,0,2]=3
17  B8R0.4  CCCCCCCCF 102297 [2,0,0,0,0,0|1,0,0]=3
18  B8R0.4  CCC\C=C\CCCC 102651 [2,0,0,0,0,0|0,0,2]=4
19  B10R0.4  CCCCCCCC[S@@+](C)[O-] 18403 [1,1,0,0,0,0|1,0,1]=4
20  B12R0.5  C\C=C\C=C\CCCCCCCC 103199 [0,2,0,0,0,0|1,0,1]=4
21  B12R0.234  CC#CCCCCCCCC(=O)O 102853 [0,2,0,0,0,0|0,0,1]=3
22  B12R0.234  N#CCCCCCCCCC(=O)O 102134 [0,2,0,0,0,0|0,0,1]=3
23  B12R0.268  C=C(F)CCCCCCCC(=O)O 102328 [0,2,0,0,0,0|0,0,2]=4
24  B12R1.8  CCCC\C=C\C1C=CCCC1 100797 [0,1,0,1,0,0|1,0,1]=4
25  B12R1.1007  NC1CCCCC(N)CCCC1 16142 [0,1,0,1,0,0|1,0,1]=4
26  B12R1.1007  N[C@H]1CCCC[C@@H](N)CCCC1 16148 [0,1,0,1,0,0|1,0,1]=4
27  B12R2.24  O=C1CCN2CCCCC2C1 15270 [0,0,0,2,0,0|1,0,0]=3