0  B8R0.37  C=C(Cl)C(C)(C)C(=O)O CS-M0093 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.13  CC(=O)C(C)(C)C#N CS-0006089 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.13  CC(C)(CF)C(=O)O CS-W005928 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.13  CCC(C)(C)C(=O)O CS-W016597 [1,0,0,0,0,0|1,0,1]=3
4  B7R0.13  CC[C@@](C)(N)C(=O)O CS-W020180 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.13  CC[C@](C)(N)C(=O)O CS-W008544 [1,0,0,0,0,0|1,0,1]=3
6  B7R0.16  CC(C)[C@H](O)C(=O)O CS-0000171 [1,0,0,0,0,0|1,0,1]=3
7  B9R0.28  COC(=O)C(C)(C)C(C)=O CS-M0049 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.3  C=CC(C)C(=O)O CS-0006592 [2,0,0,0,0,0|0,0,1]=3
9  B6R0.3  CCC(N)C(=O)O CS-W011306 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.3  CC[C@H](N)C(=O)O CS-0044026 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.3  CN[C@H](C)C(=O)O CS-0094542 [2,0,0,0,0,0|1,0,0]=3
12  B6R0.3  [C@@H](C)(NC)C(=O)O CS-W016642 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.2  NC(=O)CC(N)=O CS-W011312 [2,0,0,0,0,0|2,0,0]=4
14  B8R0.13  COC(=O)C(C)(C)CO CS-W013414 [1,1,0,0,0,0|1,0,1]=4
15  B8R0.36  CCC(N)(CC)C(=O)O CS-W005544 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.36  COC(C)(OC)C(C)=O CS-W011092 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.18  CN[C@H](C(=O)O)C(C)C CS-0010219 [1,1,0,0,0,0|1,0,1]=4
18  B10R0.47  C=CC(=O)OC(C)(C)C(=O)O CS-M0598 [0,1,0,0,0,1|1,0,1]=4
19  B10R0.47  COC(=O)CC(C)(C)C(=O)O CS-W022201 [0,1,0,0,0,1|1,0,0]=3
20  B10R0.36  CCOC(=O)C(C)(C)C(=O)O CS-M2955 [0,2,0,0,0,0|1,0,0]=3
21  B10R0.36  CCOC(=O)C(Cl)(Cl)C(C)=O CS-W010521 [0,2,0,0,0,0|2,0,0]=4
22  B8R1.78  NC1(C(=O)O)CCC1 CS-B0092 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.78  O=C(O)C1(Br)CCC1 CS-0040826 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.50  CC1C(=O)CCC1=O CS-W013660 [1,0,0,1,0,0|1,0,0]=3
25  B10R1.364  O=C(O)C1(C(=O)O)CCC1 CS-D1152 [0,1,0,1,0,0|2,0,0]=4
26  B8R0.23  CC(=O)O[C@@H](C)C(=O)O CS-B0056 [1,0,0,0,0,1|0,0,0]=2
27  B8R0.23  CC(=O)O[C@H](C)C(=O)O CS-B0055 [1,0,0,0,0,1|0,0,0]=2