0  B13R0.2  CCCCCCCCCC(=O)OCC T31708 [0,0,0,0,0,0|2,0,0]=2
1  B12R0.1  CCCCCCCCC(=O)OCC T19315 [1,0,0,0,0,0|1,0,0]=2
2  B12R0.5  CCCCCCCCCCCCO T9514 [1,0,0,0,0,0|2,0,1]=4
3  B12R0.248  CCCCCCCCCC(=O)NC T31309 [1,0,0,0,0,0|2,0,0]=3
4  B12R0.248  CCCCCCCCCC(=O)NN T31346 [1,0,0,0,0,0|3,0,0]=4
5  B12R0.248  CCCCCCCCCC(=O)NO T33614 [1,0,0,0,0,0|3,0,0]=4
6  B12R0.248  CCCCCCCCCC(=O)OC T33337 [1,0,0,0,0,0|2,0,0]=3
7  B14R0.181  CCCCCCCCCC(=O)C(O)CC T30687 [0,1,0,0,0,0|1,0,0]=2
8  B14R0.391  CCCCCCCCCC(=O)OC(C)C T21196 [0,1,0,0,0,0|2,0,0]=3
9  B14R0.432  CCOC(=O)CCCCCCCC(C)F T31705 [0,1,0,0,0,0|2,0,0]=3
10  B14R0.493  CCCCCCCCCC(=O)OCCC T21239 [0,1,0,0,0,0|1,0,0]=2
11  B14R0.493  CCCCCCCCCC(=O)OCCCl T29339 [0,1,0,0,0,0|2,0,0]=3
12  B14R0.493  CCCCCCCCCC(=O)OCCS T29354 [0,1,0,0,0,0|2,0,0]=3
13  B14R0.2432  CCCCCC(O)CCCC(=O)OCC T31703 [0,1,0,0,0,0|2,0,0]=3
14  B11R0.3  CCCCCCCCCCCC TN6897 [2,0,0,0,0,0|0,0,1]=3
15  B11R0.3  CCCCCCCCCCCO T7480 [2,0,0,0,0,0|1,0,1]=4
16  B11R0.3  CCCCCCCCCCOC T31321 [2,0,0,0,0,0|1,0,1]=4
17  B11R0.4  CCCCCCCC(OCC)=O TN6743 [2,0,0,0,0,0|1,0,0]=3
18  B11R0.40  CCCCCCCCC(=O)C=O T31307 [2,0,0,0,0,0|1,0,1]=4
19  B11R0.40  CCCCCCCCC(=O)OC TN6918 [2,0,0,0,0,0|1,0,0]=3
20  B11R0.148  CCCCCCCCCC(C)=O T8017 [2,0,0,0,0,0|1,0,0]=3
21  B11R0.148  CCCCCCCCCC(F)=O T31304 [2,0,0,0,0,0|2,0,0]=4
22  B11R0.148  CCCCCCCCCC(N)=O T31308 [2,0,0,0,0,0|2,0,0]=4
23  B11R0.148  CCCCCCCCCC(O)=O T30126 [2,0,0,0,0,0|2,0,0]=4
24  B11R0.148  CCCCCCCCCC(O)=O T33472 [2,0,0,0,0,0|2,0,0]=4
25  B11R0.148  CCCCCCCCCC(O)=O T33485 [2,0,0,0,0,0|2,0,0]=4
26  B11R0.148  CCCCCCCCCC(O)=O T3379 [2,0,0,0,0,0|2,0,0]=4
27  B11R0.148  CCCCCCCCCC(O)=O T34161 [2,0,0,0,0,0|2,0,0]=4
28  B11R0.148  CCCCCCCCCC([O-])=O T21240 [2,0,0,0,0,0|2,0,0]=4
29  B11R0.148  CCCCCCCCCC([O-])=O T30689 [2,0,0,0,0,0|2,0,0]=4
30  B11R0.148  CCCCCCCCCC([O-])=O T30994 [2,0,0,0,0,0|2,0,0]=4
31  B11R0.148  CCCCCCCCCC([O-])=O T31345 [2,0,0,0,0,0|2,0,0]=4
32  B11R0.148  CCCCCCCCCC([O-])=O T33164 [2,0,0,0,0,0|2,0,0]=4
33  B11R0.148  CCCCCCCCCC([O-])=O T34116 [2,0,0,0,0,0|2,0,0]=4
34  B11R0.148  CCCCCCCCCC([O-])=O T35308 [2,0,0,0,0,0|2,0,0]=4
35  B11R0.148  CCCCCCCCOC(C)=O T5667 [2,0,0,0,0,0|0,0,0]=2
36  B13R0.165  CCCCOCC(O)COCCCC T31428 [1,1,0,0,0,0|1,0,1]=4
37  B13R0.336  CCCCCCCCCCCCCC TN6959 [1,1,0,0,0,0|1,0,1]=4
38  B13R0.150  CCCCCCCCCC(=O)N(C)C T21111 [1,1,0,0,0,0|2,0,0]=4
39  B13R0.412  CCCCCCCCCC(CC)C=O T29346 [1,1,0,0,0,0|1,0,1]=4
40  B15R0.3222  CCCCCCCCCC(=O)N(C)CCO T33649 [0,2,0,0,0,0|2,0,0]=4
41  B15R0.88  CCCCCCCCCC(=O)NCC(C)C T33681 [0,2,0,0,0,0|1,0,0]=3
42  B15R0.88  CCCCCCCCCC(=O)OCC(C)C T21223 [0,2,0,0,0,0|1,0,0]=3
43  B15R0.88  CCCCCCCCOC(=O)CCC(O)=O T19436 [0,2,0,0,0,0|0,0,1]=3
44  B15R0.322  CCCCCCCCCC(=O)OCCCC T21230 [0,2,0,0,0,0|1,0,0]=3
45  B13R1.27  CCCCCCCC1CCC(O1)=O TN6744 [1,0,0,1,0,0|0,0,0]=2