0  B12R1.7  CCCC#CCC1CCC(=O)O1 TN5132 [1,0,0,0,0,0|0,0,2]=3
1  B12R1.7  CCCCCCC1CCC(=O)O1 T8078 [1,0,0,0,0,0|0,0,0]=1
2  B12R0.1  CCCCCCCCC(=O)OCC T19315 [0,0,1,0,0,0|2,0,0]=3
3  B12R0.4  CCCCCCCC(O)CC(O)=O T7565 [0,0,1,0,0,0|1,0,0]=2
4  B11R0.3  CCCCCCCCCCCC TN6897 [1,0,1,0,0,0|1,0,1]=4
5  B11R0.4  CCCCCCCC(OCC)=O TN6743 [1,0,1,0,0,0|1,0,0]=3
6  B11R0.40  CCCCCCCCC(=O)OC TN6918 [1,0,1,0,0,0|2,0,0]=4
7  B11R0.148  C(CCCCCCCCC)(=N)N T31312 [1,0,1,0,0,0|2,0,0]=4
8  B11R0.148  CCCCCCC/C=C/C(O)=O T7332 [1,0,1,0,0,0|0,0,2]=4
9  B11R0.148  CCCCCCC/C=C\C(O)=O TQ0251 [1,0,1,0,0,0|0,0,2]=4
10  B11R0.148  CCCCCCCCCC(C)=O T8017 [1,0,1,0,0,0|1,0,0]=3
11  B11R0.148  CCCCCCCCCC(C)O T22221 [1,0,1,0,0,0|1,0,1]=4
12  B11R0.148  CCCCCCCCCC(F)=O T31304 [1,0,1,0,0,0|1,0,0]=3
13  B11R0.148  CCCCCCCCCC(N)=O T31308 [1,0,1,0,0,0|1,0,0]=3
14  B11R0.148  CCCCCCCCCC(O)=O T30126 [1,0,1,0,0,0|0,0,0]=2
15  B11R0.148  CCCCCCCCCC(O)=O T33472 [1,0,1,0,0,0|0,0,0]=2
16  B11R0.148  CCCCCCCCCC(O)=O T33485 [1,0,1,0,0,0|0,0,0]=2
17  B11R0.148  CCCCCCCCCC(O)=O T3379 [1,0,1,0,0,0|0,0,0]=2
18  B11R0.148  CCCCCCCCCC(O)=O T34161 [1,0,1,0,0,0|0,0,0]=2
19  B11R0.148  CCCCCCCCCC([O-])=O T21240 [1,0,1,0,0,0|0,0,1]=3
20  B11R0.148  CCCCCCCCCC([O-])=O T30689 [1,0,1,0,0,0|0,0,1]=3
21  B11R0.148  CCCCCCCCCC([O-])=O T30994 [1,0,1,0,0,0|0,0,1]=3
22  B11R0.148  CCCCCCCCCC([O-])=O T31345 [1,0,1,0,0,0|0,0,1]=3
23  B11R0.148  CCCCCCCCCC([O-])=O T33164 [1,0,1,0,0,0|0,0,1]=3
24  B11R0.148  CCCCCCCCCC([O-])=O T34116 [1,0,1,0,0,0|0,0,1]=3
25  B11R0.148  CCCCCCCCCC([O-])=O T35308 [1,0,1,0,0,0|0,0,1]=3
26  B11R0.148  CCCCCCCCOC(C)=O T5667 [1,0,1,0,0,0|2,0,0]=4
27  B11R0.148  CCCCCCC\C=C\C(O)=O T29343 [1,0,1,0,0,0|0,0,2]=4
28  B11R1.27  CCCCCC1CCC(O1)=O TN6700 [2,0,0,0,0,0|0,0,0]=2
29  B13R0.2  CCCCCCCCCC(=O)OCC T31708 [0,1,1,0,0,0|2,0,0]=4
30  B13R1.27  CCCCCCCC1CCC(O1)=O TN6744 [1,1,0,0,0,0|0,0,0]=2
31  B13R1.3688  CCCCCCC1(C)CCC(=O)O1 T31472 [1,1,0,0,0,0|0,0,0]=2