0  B8R0.8  C=C(C)C(=O)OCCO CS-W013439 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.8  CCCCC(N)C(=O)O CS-W013425 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.4  C(CCC)=CC(=O)O CS-W011247 [1,0,0,0,0,0|1,0,1]=3
3  B7R0.5  CCOC(=O)C(C)Br CS-0009888 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.5  CCOC(=O)C(N)=O CS-0008213 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.5  [C@H](C)(O)C(=O)OCC CS-W013602 [1,0,0,0,0,0|1,0,2]=4
6  B9R0.8  CCCCC(Br)C(=O)OC CS-M2020 [0,1,0,0,0,0|1,0,1]=3
7  B9R1.6  CC(=O)C1CCNCC1 CS-W021259 [0,0,0,1,0,0|2,0,1]=4
8  B9R1.6  CC(=O)N1CCOCC1 CS-W011119 [0,0,0,1,0,0|3,0,0]=4
9  B6R0.1  COC(=O)CCS CS-0000049 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.4  CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.4  CC(=O)OCCBr CS-W007598 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.4  CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.4  COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,1]=4
14  B8R0.1  CCOC(=O)CCCBr CS-W020133 [1,1,0,0,0,0|1,0,1]=4
15  B8R0.7  O=C(O)CCCCCBr CS-W007559 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.28  CC(=O)CCC=C(C)C CS-W011151 [1,1,0,0,0,0|1,0,1]=4
17  B10R0.32  CCOC(=O)C(=O)CC(C)=O CS-0007580 [0,1,0,0,0,1|1,0,1]=4
18  B8R1.3  NC1CCC(=O)CC1 CS-W005034 [1,0,0,1,0,0|1,0,1]=4
19  B8R1.3  O=C1CCC(O)CN1 CS-D0057 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.5  CC1CCCCC1=O CS-W011265 [1,0,0,1,0,0|0,0,1]=3
21  B8R1.22  O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|0,0,1]=3
22  B8R1.38  COC(=O)C1CNC1 CS-D1541 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.38  COC(=O)C1COC1 CS-0045513 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.7  CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|0,0,1]=3
25  B8R1.7  O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,1]=4
26  B10R1.13  CC(=O)N1CCC(O)CC1 CS-0044711 [0,1,0,1,0,0|2,0,0]=4
27  B10R1.15  COC(=O)C1=CCCCC1 CS-W009174 [0,1,0,1,0,0|1,0,0]=3
28  B10R1.15  O=C(CCl)N1CCCCC1 CS-W021632 [0,1,0,1,0,0|2,0,0]=4