0  B8R0.23  CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.23  CC(C)CC(Br)C(=O)O CS-W021616 [0,0,0,0,0,0|3,0,1]=4
2  B8R0.23  CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,0,0,0,0,0|2,0,1]=3
3  B8R0.23  NC(CC(=O)O)C(=O)O CS-W016540 [0,0,0,0,0,0|1,0,0]=1
4  B8R0.23  O=C(O)CC(S)C(=O)O CS-W010986 [0,0,0,0,0,0|0,1,0]=1
5  B7R0.5  C#CC[C@H](N)C(=O)O CS-0101207 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.5  NC(CCO)C(=O)O CS-W013586 [1,0,0,0,0,0|1,0,1]=3
7  B7R0.5  [C@H](N)(CC=C)C(=O)O CS-W013622 [1,0,0,0,0,0|2,0,0]=3
8  B7R0.6  CC(=O)CCC(C)=O CS-D1203 [1,0,0,0,0,0|2,0,0]=3
9  B7R0.6  CN(C)CCC(=O)O CS-W007826 [1,0,0,0,0,0|3,0,0]=4
10  B7R0.6  NC(=O)CCC(=O)O CS-0094544 [1,0,0,0,0,0|1,0,0]=2
11  B9R0.11  CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,1,0,0,0,0|1,0,0]=2
12  B9R0.42  COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,1,0,0,0,0|1,0,0]=2
13  B9R1.35  O=C(O)C1CCC(O)=N1 CS-W013454 [0,0,0,1,0,0|3,0,0]=4
14  B9R1.35  O=C1C=C(C(=O)O)ON1 CS-W021938 [0,0,0,1,0,0|1,0,2]=4
15  B9R1.35  O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,1,0,0|3,0,0]=4
16  B9R0.7  NC(CCC(=O)O)C(=O)O CS-W022635 [0,0,0,0,0,1|1,0,0]=2
17  B9R0.53  CN(CC(=O)O)CC(=O)O CS-W007872 [0,0,0,0,0,1|2,0,0]=3
18  B6R0.2  [C@H](C)(N)CC(=O)O CS-0044025 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.2  [C@H](C)(N)CC(=O)O CS-W005235 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.4  COCCC(=O)O CS-W009112 [2,0,0,0,0,0|2,0,0]=4
21  B8R0.12  C=CCC(F)(F)C(=O)O CS-W008490 [1,1,0,0,0,0|2,0,0]=4
22  B8R0.9  COC(=O)CCC(=O)O CS-W011096 [1,1,0,0,0,0|0,0,0]=2
23  B10R0.46  C=C(CC(=O)OC)C(=O)OC CS-W022632 [0,2,0,0,0,0|1,0,1]=4
24  B10R0.46  COC(=O)C[C@@H](N)C(=O)OC CS-W022739 [0,2,0,0,0,0|1,0,0]=3
25  B8R1.18  CC1CC(=O)OC1=O CS-Z0015 [1,0,0,1,0,0|1,0,0]=3
26  B8R1.23  O=C1CC(C(=O)O)C1 CS-D1519 [1,0,0,1,0,0|1,0,0]=3
27  B10R1.13  O=C1CCC(C(=O)O)CC1 CS-W004786 [0,0,0,1,0,1|2,0,0]=4
28  B10R1.113  O=C1CC(C(=O)O)CCN1 CS-W006096 [0,1,0,1,0,0|2,0,0]=4
29  B10R1.361  [C@H]1(C(=O)O)CC[C@H]1C(=O)O CS-W016394 [0,1,0,1,0,0|1,0,0]=3