0  B10R0.84  CC(C)C\C=C(\C=O)C(C)C D77786 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)CC1=O 22864 [0,0,0,1,0,0|0,0,2]=3
2  B8R0.8  CCCOC(=O)C(C)C D91081 [2,0,0,0,0,0|1,0,0]=3
3  B8R0.28  CC(C)COCC(C)C D89882 [2,0,0,0,0,0|1,0,1]=4
4  B8R0.28  CC(C)CSCC(C)C D91079 [2,0,0,0,0,0|1,0,1]=4
5  B8R0.11  CCC\C=C(\C=O)CC D90438 [2,0,0,0,0,0|0,0,0]=2
6  B10R0.57  C\C=C(\C)C(=O)OCC(C)C D88383 [1,1,0,0,0,0|1,0,1]=4
7  B10R0.93  CC(C)C(=O)OC(=O)C(C)C P20008 [1,1,0,0,0,0|1,0,1]=4
8  B10R0.93  CC(C)C(=O)[CH-]C(=O)C(C)C AT24976 [1,1,0,0,0,0|0,0,2]=4
9  B10R0.162  CC(C)N[C@H](C(=O)O)C(C)C E72439 [0,1,0,0,1,0|1,0,1]=4
10  B10R1.59  CC(C)N1C[C@@H](N)CC1=O AT19109 [0,0,0,1,1,0|2,0,0]=4
11  B12R1.258  CC(C)C1=CC=CC(C(C)C)=C1 D97400 [0,1,0,1,0,0|1,0,1]=4
12  B8R0.23  CC(C)C[C@H](O)C(C)C D89961 [1,0,0,0,1,0|0,0,2]=4
13  B8R0.23  CC(C)NC(=O)C(C)C L10185 [1,0,0,0,1,0|1,0,0]=3
14  B8R0.23  CC(C)OC(=O)C(C)C D91082 [1,0,0,0,1,0|1,0,0]=3
15  B8R0.16  CO\C(C=O)=C\N(C)C 25948 [1,0,0,0,1,0|2,0,0]=4
16  B10R0.98  CC(C)CCOC(=O)[C@H](C)O D91249 [1,0,0,0,0,1|1,0,1]=4