0  B6R0.2  CC(C)C[N+](=O)[O-] CS-0252339 [1,0,0,0,0,0|2,0,0]=3
1  B6R0.5  CC(C)(C)CCN CS-0036014 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.27  [C@@H](O)(C(=O)O)C(C)(C)C CS-W005786 [0,1,0,0,0,0|1,0,1]=3
3  B8R0.34  CC(C)(CN)CC(=O)O CS-0016326 [0,1,0,0,0,0|1,0,1]=3
4  B8R0.34  CC(C)(CN)CC(=O)O CS-M3329 [0,1,0,0,0,0|1,0,1]=3
5  B8R1.42  NC1(CC(=O)O)CC1 CS-0308592 [0,0,0,1,0,0|2,0,1]=4
6  B8R1.51  CC1(C)CC(=O)NO1 CS-0067871 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.77  CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,0,0,1,0,0|1,0,1]=3
8  B6R0.7  CC(C)(C)C(N)=O CS-W021470 [0,0,0,0,1,0|2,0,0]=3
9  B8R0.29  CC(C)(C)CCC(=O)O CS-0440906 [0,0,0,0,0,1|1,0,1]=3
10  B8R0.29  CC(C)(C)\C=C\[N+](=O)[O-] CS-0438121 [0,0,0,0,0,1|2,0,1]=4
11  B8R0.29  CC(C)(F)CCC(=O)O CS-0867883 [0,0,0,0,0,1|2,0,1]=4
12  B5R0.1  CN(C)CC=O CS-0114075 [2,0,0,0,0,0|0,0,1]=3
13  B7R0.11  C[N+](C)(CF)CCO CS-0028197 [1,1,0,0,0,0|0,0,2]=4
14  B9R0.57  CC(OC(C)(C)C)C(=O)O CS-0234874 [0,1,0,0,0,1|1,0,1]=4
15  B9R0.64  COC(C)(C)CCC(=O)O CS-0867646 [0,1,0,0,0,1|1,0,1]=4
16  B9R0.25  COC(=O)[C@H](N)C(C)(C)C CS-M2606 [0,2,0,0,0,0|1,0,1]=4
17  B7R1.12  C[C@H]1C[C@H]1C(=O)O CS-0368383 [1,0,0,1,0,0|1,0,1]=4
18  B7R1.12  [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|1,0,1]=4
19  B9R1.10  CC1(C)CNC(=O)CN1 CS-0050733 [0,0,0,1,0,1|2,0,0]=4
20  B9R1.10  CC1(C)CNC(=O)CO1 CS-0444561 [0,0,0,1,0,1|2,0,0]=4
21  B9R1.111  CC1(C(O)C(=O)O)CC1 CS-0611194 [0,1,0,1,0,0|1,0,1]=4
22  B9R1.128  COC1(CC(=O)O)CC1 CS-0376849 [0,1,0,1,0,0|1,0,1]=4
23  B7R0.6  CC(C)CC[N+](=O)[O-] CS-0252338 [1,0,0,0,0,1|2,0,0]=4
24  B9R0.56  CC(C)(C)OCCC(=O)O CS-0449701 [0,0,0,0,0,2|1,0,1]=4