0  B12R1.21  CC1CCN(CCC(=O)O)CC1 BB52-5656 [0,0,0,1,0,0|1,0,0]=2
1  B12R1.75  CCC1CCCCN1CC(=O)O BB52-9893 [0,0,0,1,0,0|1,0,0]=2
2  B12R1.125  CC1CCCCN1CCC(=O)O BB52-9456 [0,0,0,1,0,0|1,0,0]=2
3  B10R0.87  CCCCC(CC)CC(=O)O BB31-4774 [0,0,0,0,1,0|0,0,0]=1
4  B9R0.2  C#CCCCCCC(=O)O BB31-8482 [2,0,0,0,0,0|0,0,2]=4
5  B11R1.1  CC1CCN(CCCO)CC1 BB52-9678 [1,0,0,1,0,0|1,0,1]=4
6  B11R1.1  CN1CCC(CCCO)CC1 BB32-3614 [1,0,0,1,0,0|1,0,1]=4
7  B11R1.17  CC1CCCCN1CCCO BB52-9079 [1,0,0,1,0,0|1,0,1]=4
8  B11R1.41  CCC1CCCCN1CCO BB52-9107 [1,0,0,1,0,0|1,0,1]=4
9  B11R1.203  OCCCN1CCCCCC1 BB52-9399 [1,0,0,1,0,0|1,0,1]=4
10  B11R1.214  OCC1CCN(CCCC)C1 BB52-8812 [1,0,0,1,0,0|1,0,1]=4
11  B11R1.91  O=C(O)CCC1CCNCC1 BB32-2599 [1,0,0,1,0,0|1,0,0]=3
12  B11R1.91  O=C(O)CCC1CCOCC1 BB31-7811 [1,0,0,1,0,0|1,0,0]=3
13  B11R1.266  CCN1CCCC(C(=O)O)C1 BB52-2360 [1,0,0,1,0,0|1,0,0]=3
14  B11R1.86  CC(=O)CN1CCCCC1C BB52-8403 [1,0,0,1,0,0|2,0,0]=4
15  B11R1.86  CC1CCCCN1CC(=O)O BB52-8696 [1,0,0,1,0,0|1,0,0]=3
16  B11R1.86  CN1CCCCC1CC(=O)O BB52-8551 [1,0,0,1,0,0|1,0,0]=3
17  B11R1.86  CN1CCCCC1CC(=O)O BB52-8555 [1,0,0,1,0,0|1,0,0]=3
18  B11R1.20  CC1CCN(CC(=O)O)CC1 BB52-8609 [0,0,0,1,1,0|1,0,0]=3
19  B11R1.20  CN1CCN(CC(=O)O)CC1 BB52-9739 [0,0,0,1,1,0|2,0,0]=4
20  B11R1.742  CC(=O)CN1CCCCCC1 BB52-8398 [0,0,0,1,1,0|2,0,0]=4
21  B11R1.742  O=C(O)CN1CCCCCC1 BB52-5709 [0,0,0,1,1,0|1,0,0]=3
22  B13R1.90  CCC1CCCCN1CCC(=O)O BB53-0162 [0,0,0,1,0,1|0,0,0]=2
23  B13R1.380  O=C(O)CN1CCCCC1CCO BB52-8953 [0,1,0,1,0,0|1,0,0]=3
24  B13R1.562  CCCCN1CC(C(=O)O)CC1=O BB52-6197 [0,1,0,1,0,0|1,0,1]=4
25  B13R1.3787  CC1CCCC(C)N1CCC(=O)O BB52-8626 [0,1,0,1,0,0|1,0,0]=3
26  B13R1.132  CC(CC(=O)O)N1CCN(C)CC1 BB52-9106 [0,1,0,1,0,0|2,0,0]=4
27  B13R1.132  CC1CCN(C(C)CC(=O)O)CC1 BB53-1012 [0,1,0,1,0,0|1,0,0]=3
28  B13R1.132  CN1CCC(N(C)CC(=O)O)CC1 BB52-9129 [0,1,0,1,0,0|2,0,0]=4
29  B13R1.201  CC1CCCCN1C(C)CC(=O)O BB53-1123 [0,1,0,1,0,0|1,0,0]=3
30  B13R1.7456  CC(CC(=O)O)N1CCCCCC1 BB52-9063 [0,1,0,1,0,0|1,0,0]=3
31  B13R1.528  COC(=O)CCN1CCCCC1C BB52-8633 [0,1,0,1,0,0|1,0,0]=3
32  B13R1.1711  COC(=O)CCN1CCCCCC1 BB52-8629 [0,1,0,1,0,0|1,0,0]=3
33  B13R1.89  CCC1CCCCN1C(=O)C(=O)O BB52-9738 [0,1,0,1,0,0|1,0,1]=4
34  B13R1.133  CC(CN1CCN(C)CC1)C(=O)O BB52-9997 [0,1,0,1,0,0|2,0,0]=4
35  B13R1.133  CC1CCN(CC(C)C(=O)O)CC1 BB53-0273 [0,1,0,1,0,0|1,0,0]=3
36  B13R1.202  CC(CN1CCCCC1C)C(=O)O BB52-9607 [0,1,0,1,0,0|1,0,0]=3
37  B13R1.6192  CC(CN1CCCCCC1)C(=O)O BB52-9121 [0,1,0,1,0,0|1,0,0]=3
38  B13R2.435  O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 BB31-9302 [0,0,0,2,0,0|1,0,0]=3
39  B9R0.4  CCCCC(C)CC(=O)O BB32-2471 [1,0,0,0,1,0|0,0,0]=2
40  B9R0.4  CCCCC(O)CC(=O)O BB31-3463 [1,0,0,0,1,0|1,0,0]=3
41  B9R0.4  CSCC[C@H](N)CC(=O)O BB31-6882 [1,0,0,0,1,0|2,0,0]=4
42  B9R0.4  CSCC[C@H](N)CC(=O)O BB32-1606 [1,0,0,0,1,0|2,0,0]=4
43  B9R0.13  CCCC[C@H](NC)C(=O)O BB31-3398 [0,0,0,0,2,0|1,0,0]=3