0  B9R0.1  COC(=O)CCCC(C)=O 2129-1-1R [0,1,0,0,0,0|2,0,1]=4
1  B9R0.7  CC(=O)CCC(F)=C(F)F 2317-3-01 [0,1,0,0,0,0|3,0,0]=4
2  B9R0.53  CC(=O)OC(C)OC(C)=O 2123-1-1K [0,1,0,0,0,0|2,1,0]=4
3  B9R0.53  CC(C)=CC(=O)C=C(C)C 2317-1-08 [0,1,0,0,0,0|2,0,1]=4
4  B9R1.35  CC(=O)C1=CC=C(C)S1 6H66-1-X6 [0,0,0,1,0,0|2,0,1]=4
5  B7R0.6  CC(=O)CCC(C)=O 2118-1-25 [0,0,0,0,1,0|1,0,1]=3
6  B7R0.6  CC(=O)OCC(=O)Cl 2129-5-X0 [0,0,0,0,1,0|2,1,0]=4
7  B7R0.6  CC(=O)\C=C\C(C)C 2317-1-04 [0,0,0,0,1,0|0,0,2]=3
8  B7R0.6  CC(C)=NNC(N)=O 4153-1-0A [0,0,0,0,1,0|3,0,0]=4
9  B7R0.6  CC(C)CCC(=O)Cl 2116-5-0A [0,0,0,0,1,0|1,0,2]=4
10  B7R0.6  CC(C)COC(=O)Cl 2123-5-1N [0,0,0,0,1,0|1,1,1]=4
11  B7R0.6  CC(C)OCC(=O)O 2121-1-43 [0,0,0,0,1,0|2,0,1]=4
12  B7R0.6  CC(C)\C=C\C(=O)O 2321-1-13 [0,0,0,0,1,0|1,0,2]=4
13  B7R0.6  CN(C)CCC(=O)O 4158-5-13 [0,0,0,0,1,0|2,0,1]=4
14  B6R0.4  C=CCCC(=O)Cl 2316-5-06 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.4  C=CCOC(C)=O 2324-1-08 [2,0,0,0,0,0|0,1,0]=3
16  B6R0.4  CCCOC(C)=O 2123-1-32 [2,0,0,0,0,0|0,1,1]=4
17  B8R1.7  O=C(O)C1CC=CC1 2421-1-X0 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.3  CC1=NNC(=O)CC1 4H56-1-XC [0,0,0,1,1,0|2,0,0]=4
19  B8R1.3  CN1CCC(=O)CC1 4H56-1-7L [0,0,0,1,1,0|1,0,1]=4
20  B6R0.2  CC(=O)CC(C)=O 2118-1-01 [0,0,0,0,2,0|1,0,0]=3
21  B6R0.2  CC(=O)CC(C)C 2118-1-02 [0,0,0,0,2,0|0,0,1]=3
22  B6R0.2  CC(=O)\C=C(\C)N 4356-1-06 [0,0,0,0,2,0|1,0,0]=3
23  B6R0.2  CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,0,0,0,2,0|1,0,0]=3
24  B6R0.2  CC(C)=CC(=O)O 2321-1-X4 [0,0,0,0,2,0|1,0,0]=3
25  B6R0.2  CC(C)CC(N)=O 4148-1-Y7 [0,0,0,0,2,0|1,0,1]=4
26  B6R0.2  CN(C)CC(=O)O 4158-1-40 [0,0,0,0,2,0|2,0,0]=4