0  B8R0.1  CCOC(=O)CCCBr CS-W020133 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.3  COC(=O)\C=C\CBr CS-W008761 [1,0,0,0,0,0|1,0,2]=4
2  B7R0.3  CO\C=C\C(=O)OC CS-0076974 [1,0,0,0,0,0|1,0,2]=4
3  B9R0.5  CCOC(=O)COCCCl CS-W018917 [0,1,0,0,0,0|1,0,0]=2
4  B9R0.34  CCOC(=O)CC(=O)O[K] CS-D1444 [0,1,0,0,0,0|2,0,1]=4
5  B9R0.48  CCOC(=O)CCC(C)=O CS-W011009 [0,1,0,0,0,0|0,0,1]=2
6  B9R0.48  CCOC(=O)CNC(C)=O CS-W016367 [0,1,0,0,0,0|1,0,1]=3
7  B9R1.12  ClCCCC1OCCO1 CS-W018131 [0,0,0,1,0,0|1,0,2]=4
8  B6R0.1  CCOC(=O)CN CS-W020007 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.1  COC(=O)CC#N CS-W016657 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.1  COC(=O)CCS CS-0000049 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.1  COC(=O)OCCl CS-0067504 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.4  CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.4  CC(=O)OCCBr CS-W007598 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.4  CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.4  COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,0]=3
16  B8R0.9  COC(=O)CCC(=O)O CS-W011096 [1,1,0,0,0,0|1,0,1]=4
17  B8R0.11  CCCCC(CC)CBr CS-W004392 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.11  CCCCC(CC)CO CS-0016002 [1,1,0,0,0,0|0,0,2]=4
19  B8R0.19  COC(=O)CC(=O)OC CS-0019394 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.5  CC(C)OC(=O)OCCl CS-W016293 [1,1,0,0,0,0|2,0,0]=4
21  B8R0.5  CCOC(=O)CC(=N)S CS-W005154 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.5  CCOC(=O)\C=C(\C)N CS-W011120 [1,1,0,0,0,0|0,0,2]=4
23  B10R0.28  CC(C)(C)OC(=O)NCCCl CS-W004916 [0,2,0,0,0,0|2,0,0]=4
24  B10R0.28  CC(C)(C)OC(=O)NCCN CS-W015688 [0,2,0,0,0,0|2,0,0]=4
25  B10R0.32  CCOC(=O)C(=O)CC(C)=O CS-0007580 [0,2,0,0,0,0|0,0,2]=4
26  B10R0.1  CCOC(=O)CCCCCBr CS-W022710 [0,2,0,0,0,0|0,0,0]=2
27  B10R0.2  CCOC(=N)CC(=O)OCC CS-W019993 [0,2,0,0,0,0|0,0,1]=3
28  B8R1.1  O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,1,0,0|2,0,0]=4
29  B8R1.3  NC1CCC(=O)CC1 CS-W005034 [1,0,0,1,0,0|1,0,0]=3
30  B8R1.3  O=C1CCC(O)CN1 CS-D0057 [1,0,0,1,0,0|2,0,0]=4
31  B8R1.38  COC(=O)C1CNC1 CS-D1541 [1,0,0,1,0,0|1,0,0]=3
32  B8R1.38  COC(=O)C1COC1 CS-0045513 [1,0,0,1,0,0|1,0,0]=3
33  B8R1.18  CC1CC(=O)OC1=O CS-Z0015 [1,0,0,1,0,0|1,0,1]=4
34  B10R1.140  CCOC(=O)C1CC(=O)C1 CS-W008814 [0,1,0,1,0,0|0,0,1]=3
35  B10R2.62  O=C1CN2CCC1CC2 CS-B0277 [0,0,0,2,0,0|2,0,0]=4
36  B10R2.71  O=C1CC2CCC(C1)N2 CS-M0611 [0,0,0,2,0,0|2,0,0]=4