0  B13R0.147  C=CCCCCCCCCC(=O)NO PH008204 [0,0,0,0,0,0|2,0,0]=2
1  B12R0.234  C=CCCCCCCCCC(=O)[O-] CDS003850 [1,0,0,0,0,0|0,0,1]=2
2  B12R0.234  CC(=O)NCCCCCCCCN S233641 [1,0,0,0,0,0|2,0,1]=4
3  B12R0.234  CCCCCCCCCOC(=O)C S364258 [1,0,0,0,0,0|1,0,2]=4
4  B12R0.234  CCCCCCCCOCC(=O)O PH010016 [1,0,0,0,0,0|1,0,2]=4
5  B12R0.234  N#CCCCCCCCCC(=O)O S367591 [1,0,0,0,0,0|1,0,1]=3
6  B12R0.248  CCCCCC#CCCC(=O)OC S884480 [1,0,0,0,0,0|0,0,3]=4
7  B12R0.248  CCCCCCCCCC(=O)CC CDS000235 [1,0,0,0,0,0|1,0,1]=3
8  B12R0.248  CCCCCCCCCC(=O)NN S550280 [1,0,0,0,0,0|2,0,1]=4
9  B12R0.248  COC(=O)CCCCCCCCI T266353 [1,0,0,0,0,0|1,0,0]=2
10  B14R0.305  COC(=O)CCCCCCCCC(=O)O S669768 [0,1,0,0,0,0|1,0,0]=2
11  B14R0.337  CCCCCCCCCCCC(=O)CC S543985 [0,1,0,0,0,0|1,0,2]=4
12  B11R0.3  COCCCCCCCCOC S344400 [2,0,0,0,0,0|1,0,1]=4
13  B11R0.148  C(=O)CCCCCCOC(=O)C T168823 [2,0,0,0,0,0|2,0,0]=4
14  B11R0.148  CCCCCCCCCC(=O)N S549878 [2,0,0,0,0,0|1,0,1]=4
15  B11R0.148  O=C(O)CCCCCCCCBr T333328 [2,0,0,0,0,0|1,0,0]=3
16  B11R0.148  O=C(O)CCCCCCCCO CDS018651 [2,0,0,0,0,0|1,0,0]=3
17  B13R0.54  C=CCCCCCCCCOC(=O)C PH011353 [1,1,0,0,0,0|2,0,0]=4
18  B13R0.150  CCCCCCCCCC(C)C(=O)O PH003560 [1,1,0,0,0,0|0,0,2]=4
19  B13R0.179  CC(=O)CCCCCCCCC(=O)O S826499 [1,1,0,0,0,0|0,0,1]=3
20  B13R0.179  CC(Br)CCCCCCCCC(=O)O L203696 [1,1,0,0,0,0|0,0,2]=4
21  B13R0.179  NC(=O)CCCCCCCCC(=O)N R750662 [1,1,0,0,0,0|2,0,0]=4
22  B13R0.179  O=C([O-])CCCCCCCCC(=O)[O-] CDS000582 [1,1,0,0,0,0|1,0,1]=4
23  B15R0.324  CCCCCCCCCCC(Br)C(=O)OC S985864 [0,2,0,0,0,0|0,0,2]=4
24  B15R0.1996  COC(=O)C(CCCCCCCC#N)OC S884391 [0,2,0,0,0,0|1,0,1]=4
25  B15R0.111  CCOC(=O)CCCCCCCCC(=O)O S516155 [0,2,0,0,0,0|1,0,0]=3
26  B15R0.172  O=C(CCCCCCCCC(=O)OO)OO S433144 [0,2,0,0,0,0|2,0,0]=4
27  B15R0.81  C=CCCCCCCCCCNC(=O)CCl S381985 [0,2,0,0,0,0|2,0,0]=4
28  B15R0.366  CCOC(=O)CCCCCCCCCCBr S557498 [0,2,0,0,0,0|0,0,2]=4
29  B15R0.2002  C=CCCCCCCCCC(=O)OCC=C PH011078 [0,2,0,0,0,0|0,0,0]=2
30  B13R1.158  O=C(O)CCCN1CCCCC1=O CBR00581 [1,0,0,1,0,0|2,0,0]=4
31  B13R1.280  O=C(O)CCN1CCCCCC1=O CBR00470 [1,0,0,1,0,0|2,0,0]=4
32  B13R1.283  C=C1CCCCCCC1CN(C)C T213659 [1,0,0,1,0,0|2,0,0]=4
33  B13R1.380  C=CCC\1CCCC/C1=C\C(=O)O L127698 [1,0,0,1,0,0|0,0,2]=4
34  B13R1.380  CCCC1CCCCC1CC(=O)O L128902 [1,0,0,1,0,0|0,0,2]=4
35  B13R1.528  COC(=O)CCC1CCCCC1=O S709735 [1,0,0,1,0,0|1,0,0]=3
36  B13R1.546  COC(=O)C1=C(CCCCCC1)O T232718 [1,0,0,1,0,0|1,0,1]=4
37  B13R1.546  COC(=O)C1CCOCCCC1=O T177334 [1,0,0,1,0,0|2,0,0]=4
38  B15R1.11721  COC(=O)C1=CCCCCCCCCC1 T168297 [0,1,0,1,0,0|0,0,1]=3
39  B15R1.11631  COC(=O)CCCCCCCCC1CO1 PH011237 [0,1,0,1,0,0|0,0,2]=4