0  B5R0.1  C=CC[N+](=O)[O-] 4236 [0,0,0,0,0,0|4,0,0]=4
1  B5R0.1  COC[C@@H](C)N 3696 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.1  C[C@@H](CO)CCO 4679 [0,1,0,0,0,0|0,0,2]=3
3  B6R0.3  C#CC(=O)C(C)C 1200 [0,1,0,0,0,0|1,0,2]=4
4  B3R0.1  COCCl 1789 [2,0,0,0,0,0|2,0,0]=4
5  B5R0.3  C=C[C@@H](O)CO 4518 [1,1,0,0,0,0|1,0,1]=4
6  B5R0.2  OCCCCF 1386 [1,1,0,0,0,0|0,0,2]=4
7  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,2,0,0,0,0|0,0,0]=2
8  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,2,0,0,0,0|0,0,0]=2
9  B7R0.16  CC(C)[C@@H](O)C(=O)O 4139 [0,2,0,0,0,0|0,0,0]=2
10  B7R1.3  C[C@@H]1CNCCO1 906 [0,1,0,1,0,0|1,0,1]=4
11  B7R1.3  C[C@H]1CNCCO1 907 [0,1,0,1,0,0|1,0,1]=4