0  B7R0.1  CCCCCCCO TN6893 [0,0,0,0,0,0|0,0,4]=4
1  B6R0.6  CC/C=C\CCO T22295 [1,0,0,0,0,0|0,0,1]=2
2  B6R0.6  CCC/C=C/C=O T8099 [1,0,0,0,0,0|0,0,2]=3
3  B6R0.6  CCC/C=C/CO TN5162 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.6  CCCCCCO TN6891 [1,0,0,0,0,0|0,0,3]=4
5  B8R0.7  CCCCCCC(C)=O TN6693 [0,1,0,0,0,0|0,0,2]=3
6  B8R0.7  NCCCCCC(O)=O T0881 [0,1,0,0,0,0|1,0,2]=4
7  B8R0.7  NCCOCCC(O)=O T14222 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.7  OC(=O)CCOCCBr T14783 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.7  OCCOCCC(O)=O T15510 [0,1,0,0,0,0|2,0,1]=4
10  B8R1.5  CC1CCCCC1=O T36789 [0,0,0,1,0,0|0,0,2]=3
11  B8R1.22  O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,0,2]=4
12  B8R1.22  O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,0,2]=4
13  B8R1.22  O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,0,2]=4
14  B7R0.4  C/C=C/C=C/C(O)=O T8019 [1,1,0,0,0,0|0,0,2]=4
15  B7R0.4  C/C=C/C=C/C([O-])=O T4807 [1,1,0,0,0,0|0,0,2]=4
16  B7R0.4  NCCCCC(O)=O T5089 [1,1,0,0,0,0|1,0,1]=4
17  B9R0.2  CCCCCCCC(C)=O T29360 [0,2,0,0,0,0|0,0,2]=4
18  B9R0.2  CCCCCCCC(O)=O T3946 [0,2,0,0,0,0|0,0,2]=4
19  B9R0.2  CCCCCNCC(N)=O T24465 [0,2,0,0,0,0|0,0,2]=4
20  B9R0.2  CCCCCNCC(N)=O T50055 [0,2,0,0,0,0|0,0,2]=4
21  B9R0.2  CNCCOCCC(O)=O T16047 [0,2,0,0,0,0|1,0,1]=4
22  B9R0.2  COCCOCCC(O)=O T15841 [0,2,0,0,0,0|1,0,1]=4
23  B9R0.2  NCCSSCCC(O)=O T14258 [0,2,0,0,0,0|2,0,0]=4
24  B9R0.45  C=CCC/C=C\CCC=C T21061 [0,2,0,0,0,0|1,0,0]=3
25  B9R0.45  C=CCCC/C=C\CC=C T31277 [0,2,0,0,0,0|1,0,1]=4
26  B9R0.45  CCCC/C=C\CCCC T31276 [0,2,0,0,0,0|1,0,1]=4
27  B9R0.1  COC(=O)CCCC(O)=O T4764 [0,2,0,0,0,0|1,0,1]=4
28  B9R0.1  OC(=O)CCNC(=O)CBr T16222 [0,2,0,0,0,0|2,0,0]=4
29  B9R0.47  C/C=C/SC[C@H](N)C(O)=O T12789 [0,2,0,0,0,0|1,0,1]=4
30  B9R0.47  CCCCCC(C)C(O)=O T8008 [0,2,0,0,0,0|0,0,2]=4
31  B9R0.47  CCSCC[C@@H](C(O)=O)N T20128 [0,2,0,0,0,0|1,0,1]=4
32  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,1,0,0|1,0,1]=4
33  B7R1.4  CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,0]=3
34  B7R1.4  CN1CCCC1=O T5851 [1,0,0,1,0,0|1,0,1]=4
35  B9R1.50  OC1CCC/C=C/CC1 T18751 [0,1,0,1,0,0|0,0,2]=4
36  B9R1.50  O[C@@H]1CCC/C=C/CC1 T18648 [0,1,0,1,0,0|0,0,2]=4
37  B9R1.69  C[C@@H]1NC(=O)CNC1=O T13629 [0,1,0,1,0,0|2,0,0]=4
38  B9R1.6  OC(=O)C1CCCCC1 T5563 [0,1,0,1,0,0|0,0,2]=4
39  B9R1.6  OC(=O)C1CCNCC1 T22348 [0,1,0,1,0,0|1,0,1]=4
40  B9R1.6  OC(=O)[C@H]1CCCNC1 T20114 [0,1,0,1,0,0|1,0,1]=4
41  B9R1.6  OC([C@@H]1CCCNC1)=O T22482 [0,1,0,1,0,0|1,0,1]=4
42  B9R2.39  O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|0,0,2]=4