0  B11R0.30  NC(=O)CCSSCCC(N)=O 8166-1-07 [0,0,0,0,0,0|4,0,0]=4
1  B11R0.30  O=C(O)CCCCCCC(=O)O 2121-1-23 [0,0,0,0,0,0|0,0,2]=2
2  B11R0.30  O=C(O)COCCOCC(=O)O 2121-1-32A [0,0,0,0,0,0|2,0,2]=4
3  B11R0.30  O=C(O)COCCOCC(=O)O 2121-1-32C [0,0,0,0,0,0|2,0,2]=4
4  B11R0.30  O=C(O)COCCOCC(=O)O 2121-1-32D [0,0,0,0,0,0|2,0,2]=4
5  B10R0.4  O=C(O)CCCCCCCO 2129-1-51 [1,0,0,0,0,0|0,0,3]=4
6  B12R0.44  O=C(O)\C=C\C(=O)NCCC(=O)O 4358-1-11 [0,1,0,0,0,0|1,0,2]=4
7  B12R0.184  COC(=O)CCCCCCC(=O)O 2123-1-72 [0,1,0,0,0,0|0,0,2]=3
8  B12R1.261  O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O 2421-1-13 [0,0,0,1,0,0|0,0,0]=1
9  B12R1.261  O=C(O)[C@H]1CC=CC[C@H]1C(=O)O 2421-1-0B [0,0,0,1,0,0|0,0,0]=1
10  B12R1.261  O=C(O)[C@H]1CCCC[C@@H]1C(=O)O 2221-1-50 [0,0,0,1,0,0|0,0,2]=3
11  B12R1.261  O=C(O)[C@H]1CCCC[C@H]1C(=O)O 2221-1-0E [0,0,0,1,0,0|0,0,2]=3
12  B10R0.97  NC(=O)CCSCCC(N)=O 8166-1-09 [0,0,0,0,1,0|3,0,0]=4
13  B10R0.97  O=C(O)CSCSCC(=O)O 6166-1-17 [0,0,0,0,1,0|2,0,1]=4
14  B12R0.268  O=C(O)CCSCSCCC(=O)O 6166-1-18 [0,0,0,0,0,1|1,0,1]=3
15  B9R0.2  C=CCCCCCC(=O)O 2321-1-25 [2,0,0,0,0,0|1,0,1]=4
16  B11R0.29  N[C@@H](CSCCC(=O)O)C(=O)O 8166-1-R0 [0,1,0,0,1,0|1,0,0]=3
17  B11R0.31  O=C(O)CCCCCP(=O)(O)O 6177-1-0D [0,1,0,0,1,0|1,0,1]=4
18  B11R0.85  O=C(O)CSC(=S)SCC(=O)O 6167-1-01 [0,1,0,0,1,0|2,0,0]=4
19  B13R0.180  N[C@@H](CCCCNCC(=O)O)C(=O)O 4157-5-S9 [0,1,0,0,0,1|0,0,2]=4
20  B13R0.353  N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O 8166-1-01 [0,2,0,0,0,0|1,0,1]=4
21  B13R0.201  COC(=O)CCCCCCC(=O)OC 2123-1-36 [0,2,0,0,0,0|0,0,2]=4
22  B13R1.547  COC(=O)[C@@H]1CCCC[C@H]1C(=O)O 2223-1-47 [0,1,0,1,0,0|0,0,2]=4
23  B13R1.547  COC(=O)[C@H]1CC=CC[C@H]1C(=O)O 2423-1-Z0 [0,1,0,1,0,0|0,0,0]=2
24  B13R1.547  COC(=O)[C@H]1CCCC[C@H]1C(=O)O 2223-1-37 [0,1,0,1,0,0|0,0,2]=4
25  B9R0.55  CC(=O)NCCCC(=O)O 4158-1-15 [0,0,0,0,2,0|2,0,0]=4
26  B9R0.55  O=C(O)C\C=C\CC(=O)O 2321-1-0J [0,0,0,0,2,0|0,0,0]=2
27  B9R0.55  O=C(O)\C=C\C=C\C(=O)O 2321-1-0T [0,0,0,0,2,0|0,0,2]=4
28  B9R0.55  O=C(O)\C=C\CCC(=O)O 2321-1-23 [0,0,0,0,2,0|0,0,0]=2