0  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [0,0,0,0,0,0|0,0,2]=2
1  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [0,0,0,0,0,0|1,0,0]=1
2  B12R0.5  C#CCCCCCCCCCCO W16726 [1,0,0,0,0,0|0,0,3]=4
3  B12R0.5  CCOCCCCCCCCCO C12008 [1,0,0,0,0,0|1,0,1]=3
4  B12R0.5  OCCCCCCCCCCCS C76355 [1,0,0,0,0,0|1,0,1]=3
5  B12R0.234  C=CCCCCCCCCC(=O)[O-] C75615 [1,0,0,0,0,0|0,0,3]=4
6  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [1,0,0,0,0,0|1,0,0]=2
7  B12R0.234  COCCOCCOCCC(=O)O W13677 [1,0,0,0,0,0|3,0,0]=4
8  B14R0.68  CC(C)CCCCCCC\C=C/C(=O)O D86952 [0,1,0,0,0,0|0,0,2]=3
9  B14R0.305  CCC(=O)CCCCCCCCC(=O)O D94101 [0,1,0,0,0,0|0,0,1]=2
10  B14R0.337  C=CC(=O)OCCCCCCCCCC D81854 [0,1,0,0,0,0|2,0,0]=3
11  B14R0.394  CCCCCCCCCCCCC(C)=O T72124 [0,1,0,0,0,0|1,0,0]=2
12  B14R0.394  COCCOCCOCCOCC(=O)O W13676 [0,1,0,0,0,0|3,0,0]=4
13  B14R0.394  O=C(O)CCOCCOCCOCCBr C76502 [0,1,0,0,0,0|3,0,0]=4
14  B14R0.394  O=C(O)CCOCCOCCOCCO S10519 [0,1,0,0,0,0|3,0,0]=4
15  B11R0.3  CCCCCCCCCCNC A11532 [2,0,0,0,0,0|1,0,1]=4
16  B11R0.3  CCCCCCCCSCCO A10652 [2,0,0,0,0,0|1,0,0]=3
17  B11R0.148  C#CCCCCCCCC(=O)O AT18721 [2,0,0,0,0,0|0,0,2]=4
18  B11R0.148  NCCCCCCCCC(=O)O D94864 [2,0,0,0,0,0|1,0,0]=3
19  B13R0.147  COC(=O)CCCCCCCCC=O F19637 [1,1,0,0,0,0|1,0,1]=4
20  B13R0.165  CCCCCCC(C)CCCCCC D93446 [1,1,0,0,0,0|1,0,1]=4
21  B13R0.336  C#CCCCCCCCCCCCO D92924 [1,1,0,0,0,0|0,0,2]=4
22  B13R0.179  CC(=O)CCCCCCCCC(C)=O D93558 [1,1,0,0,0,0|1,0,1]=4
23  B15R0.111  CCOC(=O)CCCCCCCCC(C)=O D93034 [0,2,0,0,0,0|1,0,1]=4
24  B15R0.81  COC(=O)CCCCCCCCCCCBr AC2363 [0,2,0,0,0,0|0,0,0]=2
25  B15R0.81  COC(=O)CCCCCCCCCCCN W18554 [0,2,0,0,0,0|0,0,0]=2
26  B15R0.366  CCCCCCCCCCCC(=O)OCCl A11157 [0,2,0,0,0,0|0,0,0]=2
27  B15R0.164  C#CCCCCCCCCCCCC(=O)O W15678 [0,2,0,0,0,0|0,0,0]=2
28  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] 42117 [0,2,0,0,0,0|0,0,1]=3
29  B15R0.164  CCC\C=C/CCCCCCCOC(C)=O D87855 [0,2,0,0,0,0|1,0,1]=4
30  B15R0.164  COCCOCCOCCOCCC(=O)O H10072 [0,2,0,0,0,0|2,0,0]=4
31  B13R1.337  O=C(O)CCCCN1CCCCC1 D80932 [1,0,0,1,0,0|1,0,0]=3
32  B15R2.283  O=C1CC[C@H](COC2CCCCO2)O1 72917 [0,0,0,2,0,0|2,0,0]=4