0  B11R1.74  CC(C)C1CC(=O)CC(=O)C1 2220-1-X2 [0,0,0,1,0,0|1,0,0]=2
1  B8R0.5  CCOC(=O)C=C(C)C 2324-1-49 [2,0,0,0,0,0|1,0,1]=4
2  B8R0.5  CCOC(=O)CC(=O)O 2123-1-84 [2,0,0,0,0,0|1,0,0]=3
3  B8R0.5  CCOC(=O)CC(=O)[O-] 2123-1-02 [2,0,0,0,0,0|1,0,0]=3
4  B8R0.5  CCOC(=O)CC(N)=O 4148-1-28 [2,0,0,0,0,0|1,0,0]=3
5  B8R0.5  CCOC(=O)C[C@H](C)O 2129-1-S9 [2,0,0,0,0,0|0,0,2]=4
6  B8R0.5  CCOC(=O)C[N+](=O)[O-] 4154-1-05 [2,0,0,0,0,0|2,0,0]=4
7  B8R0.5  CCOC(=O)C[S+](C)C 6166-9-X3 [2,0,0,0,0,0|2,0,0]=4
8  B10R0.32  CCOC(=O)C(=O)CC(C)=O 2129-1-30 [1,1,0,0,0,0|2,0,0]=4
9  B10R0.82  C=C(C)C(=O)OCC(O)CO 2324-1-43 [0,1,0,0,1,0|2,0,0]=4
10  B10R0.31  CC(C)(C)OC(=O)CC(=O)O 2123-1-X0 [0,1,0,0,1,0|1,0,0]=3
11  B10R1.63  CC1(C)CCC(=O)CC1=O 2218-1-13 [1,0,0,1,0,0|1,0,0]=3
12  B10R1.138  CCCC(=O)OC[C@H]1CO1 2123-1-R5 [1,0,0,1,0,0|1,0,1]=4
13  B10R1.329  CC1(C)CC(=O)CC(=O)C1 2218-1-X1 [0,0,0,1,1,0|0,0,0]=2
14  B10R1.329  CC1(C)CC(=O)NC(=O)C1 4H48-1-W2 [0,0,0,1,1,0|1,0,0]=3
15  B10R1.329  CC1(C)OC(=O)CC(=O)O1 2H08-1-X1 [0,0,0,1,1,0|1,0,0]=3
16  B12R1.101  CC(C)CC1CC(=O)CC(=O)C1 2218-1-X4 [0,0,0,1,0,1|1,0,0]=3
17  B8R0.8  C=C(C)C(=O)OCCF 2324-3-X3 [1,0,0,0,1,0|2,0,0]=4
18  B8R0.8  C=C(C)C(=O)OCCO 2324-1-14 [1,0,0,0,1,0|2,0,0]=4
19  B8R0.23  CC(C)OC(=O)[C@@H](C)N 4158-5-RB [0,0,0,0,2,0|1,0,1]=4
20  B8R0.23  CC(C)OC(=O)[C@H](C)N 4158-5-06 [0,0,0,0,2,0|1,0,1]=4