0  B10R0.97  CC(=O)NCSCCC(=O)O BB31-6087 [0,0,0,0,0,0|2,0,0]=2
1  B10R0.97  O=C(O)CCNCCC(=O)O BB31-7631 [0,0,0,0,0,0|1,0,0]=1
2  B9R0.2  C#CCCCCCC(=O)O BB31-8482 [1,0,0,0,0,0|2,0,1]=4
3  B11R0.29  CC(=O)NCCC[C@H](N)C(=O)O BB32-1271 [0,1,0,0,0,0|3,0,0]=4
4  B11R1.178  CC(=O)N1CCC[C@H]1C(=O)O BB52-9159 [0,0,0,1,0,0|3,0,0]=4
5  B11R1.178  O=C(O)C1CCCC1C(=O)O BB32-2317 [0,0,0,1,0,0|1,0,0]=2
6  B11R0.30  CC(=O)CCCCCCC(C)=O BB31-3292 [0,0,0,0,0,1|3,0,0]=4
7  B10R0.96  CC(=O)CC(=O)CCC(=O)O BB31-5881 [0,1,0,0,1,0|1,0,1]=4
8  B12R0.42  N[C@@H](CSCCCC(=O)O)C(=O)O BB32-1450 [0,1,0,0,0,1|0,0,0]=2
9  B12R0.627  CC(CSC[C@H](N)C(=O)O)C(=O)O BB31-4697 [0,2,0,0,0,0|0,0,0]=2
10  B10R1.64  O=C(O)CN1CCCC1=O BB52-8573 [1,0,0,1,0,0|2,0,0]=4
11  B10R1.54  O=C(O)CC1CCC(=O)C1 BB31-7997 [0,0,0,1,1,0|1,0,0]=3
12  B10R1.54  O=C(O)CC1CCC(=O)O1 BB54-4135 [0,0,0,1,1,0|0,0,0]=2
13  B10R1.113  O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,0,1,1,0|1,0,1]=4
14  B12R1.226  O=C(O)CCN1CCNC(=O)C1 BB52-8061 [0,0,0,1,0,1|2,0,0]=4
15  B12R1.261  CC(=O)N1CCCCC1C(=O)O BB52-9344 [0,0,0,1,0,1|2,0,0]=4
16  B12R1.258  O=C(O)C1CCCC(C(=O)O)N1 BB31-6287 [0,1,0,1,0,0|1,0,0]=3
17  B12R1.368  CCC(=O)N1CSC[C@H]1C(=O)O BB53-0396 [0,1,0,1,0,0|2,0,0]=4
18  B12R1.368  COC(=O)N1CCC[C@H]1C(=O)O BB53-0148 [0,1,0,1,0,0|2,0,0]=4
19  B12R1.368  COC(=O)N1CSC[C@H]1C(=O)O BB53-0648 [0,1,0,1,0,0|1,0,0]=3
20  B12R1.368  COC(=O)[C@H]1CCC[C@H]1C(=O)O BB31-7455 [0,1,0,1,0,0|1,0,0]=3
21  B8R0.28  NC(=O)CCCC(N)=O BB31-6283 [0,0,0,0,2,0|2,0,0]=4
22  B8R0.28  O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,0,0,0,2,0|1,0,1]=4