0  B12R2.766  CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C T5548 [0,0,0,0,0,0|0,0,0]=0
1  B11R2.533  C=C1CC[C@H]2C[C@@H]1C2(C)C T8360 [1,0,0,0,0,0|0,0,3]=4
2  B11R2.533  CC1=CCC2CC1C2(C)C TL0003 [1,0,0,0,0,0|0,0,1]=2
3  B11R2.533  CC1=CC[C@H]2C[C@@H]1C2(C)C TN1202 [1,0,0,0,0,0|0,0,1]=2
4  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)CC1=O TN1157 [0,0,1,0,0,0|0,0,2]=3
5  B11R1.166  CC(C)[C@H]1CC[C@H](C)CC1=O TMA0087 [0,0,1,0,0,0|0,0,2]=3
6  B11R1.166  CC1=CC(=O)C(C(C)C)CC1 T8256 [0,0,1,0,0,0|0,0,0]=1
7  B11R1.166  CC1CCC(C(C)C)C(=O)C1 T5660 [0,0,1,0,0,0|0,0,2]=3
8  B11R1.325  CC1=CC(=O)CC(C)(C)C1=O T2723 [0,0,1,0,0,0|1,0,1]=3
9  B10R1.13  C=C1C=CC(C(C)C)CC1 T5621 [1,0,1,0,0,0|0,0,1]=3
10  B10R1.13  CC1=CC=C(C(C)C)CC1 T7909 [1,0,1,0,0,0|0,0,1]=3
11  B10R1.13  CC1=CC[C@H](C(C)C)C=C1 T8289 [1,0,1,0,0,0|0,0,1]=3
12  B10R1.329  CC1=CC(=O)CC(C)(C)C1 T5671 [1,0,1,0,0,0|0,0,0]=2
13  B12R2.1957  CC1(C)[C@H]2CC=C(C=O)[C@@H]1C2 T7912 [1,1,0,0,0,0|0,0,1]=3
14  B10R0.3  CC(C)=CCC\C(C)=C\C=O T3154 [0,0,2,0,0,0|0,0,2]=4