0  B8R0.8  C=CCSC(C)C(=O)O BB12-3266 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.8  CCCC[C@H](N)C(=O)O BB12-2277 [0,0,0,0,0,0|1,0,0]=1
2  B7R0.3  CCCCC(N)CO BB56-2048 [1,0,0,0,0,0|1,0,1]=3
3  B7R0.3  COCC\C(N)=N\O BB12-3470 [1,0,0,0,0,0|1,1,1]=4
4  B7R0.3  CSCCC(N)CO BB56-2047 [1,0,0,0,0,0|0,0,1]=2
5  B7R0.4  C=CCSCC(=O)O BB12-3265 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.4  CCCSCC(=O)O BB12-3263 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.4  CCSCCC(=O)O BB12-3270 [1,0,0,0,0,0|2,0,0]=3
8  B7R0.5  CCSC(C)C(=O)O BB12-3261 [1,0,0,0,0,0|2,0,0]=3
9  B7R0.5  CNCC(C)C(=O)O BB12-1637 [1,0,0,0,0,0|2,0,0]=3
10  B9R0.7  C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,0,0,0,0|0,0,1]=2
11  B9R0.42  CCN(C)CC(C)C(=O)O BB12-1433 [0,1,0,0,0,0|3,0,0]=4
12  B9R1.6  O=C(O)C1CCCNC1 BB12-3026 [0,0,0,1,0,0|3,0,0]=4
13  B9R1.6  O=C(O)C1CCNCC1 BB12-3027 [0,0,0,1,0,0|2,0,0]=3
14  B9R1.59  CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,0,1,0,0|2,0,0]=3
15  B9R1.163  CC1(C(=O)O)CCCO1 BB12-1777 [0,0,0,1,0,0|3,0,0]=4
16  B9R1.163  NC1(C(=O)O)CCCC1 BB56-0255 [0,0,0,1,0,0|1,0,0]=2
17  B9R0.4  COCCN(C)CC(=O)O BB12-3659 [0,0,0,0,0,1|2,1,0]=4
18  B6R0.1  CCC\C(N)=N\O BB10-0037 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.1  CSC\C(N)=N\O BB12-3469 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.4  CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.4  CNCCC(=O)O BB12-1452 [2,0,0,0,0,0|1,0,0]=3
22  B6R0.4  COCCC(=O)Cl BB20-1617 [2,0,0,0,0,0|1,1,0]=4
23  B6R0.4  CSCCC(=N)N BB12-3715 [2,0,0,0,0,0|1,0,1]=4
24  B6R0.3  CSC(C)C(=O)O BB12-2671 [2,0,0,0,0,0|1,0,0]=3
25  B8R0.5  CCCC(N)CC(=O)O BB12-1701 [1,1,0,0,0,0|1,0,0]=3
26  B8R0.28  CN(C)CCCC(=O)O BB01-6266 [1,1,0,0,0,0|1,0,0]=3
27  B8R0.28  NC(=O)CCCC(=O)O BB12-2466 [1,1,0,0,0,0|2,0,0]=4
28  B8R0.23  CC(CN(C)C)C(=O)O BB12-1434 [1,1,0,0,0,0|2,0,0]=4
29  B8R1.2  OCC1CCCCN1 BB56-1322 [1,0,0,1,0,0|1,0,1]=4
30  B8R1.52  NC1(CO)CCCC1 BB56-2049 [1,0,0,1,0,0|1,0,1]=4
31  B10R1.23  CC(C(=O)O)N1CCCC1 BB12-3371 [0,1,0,1,0,0|2,0,0]=4
32  B10R1.13  CN1CCC(C(=O)O)CC1 BB12-2769 [0,1,0,1,0,0|2,0,0]=4
33  B10R1.13  CN1CCC(C(=O)O)CC1 BB56-1999 [0,1,0,1,0,0|2,0,0]=4
34  B10R1.15  COC(=O)C1CCCCN1 BB12-2972 [0,1,0,1,0,0|1,0,0]=3
35  B10R1.113  CN1CCCC(C(=O)O)C1 BB12-2768 [0,1,0,1,0,0|2,0,0]=4
36  B10R1.363  CC1(C(=O)O)CCCCO1 BB12-2062 [0,1,0,1,0,0|2,0,0]=4
37  B10R1.363  NC1(C(=O)O)CCCCC1 BB56-0254 [0,1,0,1,0,0|1,0,0]=3
38  B10R1.363  O=C(O)C1(Cl)CCCCC1 BB17-2878 [0,1,0,1,0,0|2,0,0]=4
39  B10R1.363  O=C(O)C1(O)CCCCC1 BB12-2041 [0,1,0,1,0,0|2,0,0]=4