0  B7R0.9  CS(=O)(=O)CC(=O)O CS-W004723 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.2  CC(=O)NC(C)C CS-M3536 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.2  CC(O)CC(=O)[O-] CS-W011168 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.2  CN(C)CC(N)=S CS-W021439 [1,0,0,0,0,0|1,1,1]=4
4  B6R0.2  [C@H](C)(O)CC(=O)[O-] CS-W016567 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.5  CC(C)(C)CCBr CS-B0401 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.5  CC(C)(C)CCN CS-0036014 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.5  C[N+](C)(C)CCCl CS-W008900 [1,0,0,0,0,0|1,0,1]=3
8  B6R0.5  C[N+](C)(C)CCO CS-0097842 [1,0,0,0,0,0|0,0,2]=3
9  B8R0.24  C#CC(=O)OC(C)(C)C CS-W013498 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.24  CC(C)(C)OC(=O)CN CS-W019643 [0,1,0,0,0,0|3,0,0]=4
11  B8R0.24  CC(C)(C)OC(=O)NN CS-W008846 [0,1,0,0,0,0|3,0,0]=4
12  B8R0.24  CNC(=O)OC(C)(C)C CS-W007463 [0,1,0,0,0,0|3,0,0]=4
13  B8R0.27  CC(C)(C)C(=O)C(=O)O CS-W005305 [0,1,0,0,0,0|1,0,2]=4
14  B8R0.34  CC(C)(CN)CC(=O)O CS-0016326 [0,1,0,0,0,0|1,0,1]=3
15  B8R1.51  CC1(C)CCC(=O)N1 CS-W022267 [0,0,0,1,0,0|3,0,0]=4
16  B8R1.77  CC1(C)C[C@@H]1C(N)=O CS-W013652 [0,0,0,1,0,0|2,0,0]=3
17  B6R0.7  CC(C)(C)C(N)=S CS-0044786 [0,0,0,0,1,0|2,1,0]=4
18  B6R0.7  CC(C)(C)S(N)=O CS-W008628 [0,0,0,0,1,0|3,0,0]=4
19  B5R0.1  CN(C)NC=O CS-M2144 [2,0,0,0,0,0|1,0,1]=4
20  B5R0.1  CNCC(=O)O CS-W013507 [2,0,0,0,0,0|0,0,2]=4
21  B5R0.1  COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,1]=4
22  B5R0.4  CC(C)(C)CN CS-W019134 [2,0,0,0,0,0|2,0,0]=4
23  B5R0.4  C[Si](C)(C)CI CS-0067163 [2,0,0,0,0,0|2,0,0]=4
24  B7R0.2  COC(=O)CC(=O)[O-] CS-M3561 [1,1,0,0,0,0|2,0,0]=4
25  B7R0.16  CC(C)[C@H](O)C(=O)O CS-0000171 [1,1,0,0,0,0|1,0,1]=4
26  B7R0.8  C[N+](C)(C)CCCBr CS-W010147 [1,1,0,0,0,0|1,0,1]=4
27  B7R0.8  C[Si](C)(C)C#CC=O CS-W016561 [1,1,0,0,0,0|1,0,1]=4
28  B7R0.13  CC(C)(CF)C(=O)O CS-W005928 [0,1,0,0,1,0|1,0,1]=4
29  B7R0.13  CCC(C)(C)C(=O)O CS-W016597 [0,1,0,0,1,0|1,0,1]=4
30  B9R0.25  COC(=O)[C@H](N)C(C)(C)C CS-M2606 [0,2,0,0,0,0|1,0,1]=4
31  B5R0.5  CC(=O)C(=O)[O-] CS-W016629 [1,0,0,0,1,0|2,0,0]=4