0  B7R0.4  COCCCC(=O)O 1781 [0,0,0,0,0,0|2,0,0]=2
1  B8R1.72  N=S1(=O)CCNCC1 4877 [0,0,0,1,0,0|3,0,0]=4
2  B8R1.72  N=S1(=O)CCOCC1 4885 [0,0,0,1,0,0|3,0,0]=4
3  B5R0.2  OCCCCF 1386 [2,0,0,0,0,0|1,0,1]=4
4  B7R0.2  CC[C@@H](C)CC(=O)O 911 [1,1,0,0,0,0|1,0,0]=3
5  B7R0.2  CC[C@H](C)CC(=O)O 916 [1,1,0,0,0,0|1,0,0]=3
6  B7R0.1  CCCCCCNN 653 [1,1,0,0,0,0|1,0,1]=4
7  B9R0.4  NCCC[C@@H](N)CC(=O)O 4677 [0,2,0,0,0,0|1,0,0]=3
8  B9R0.5  CCOC(=O)COCCBr 3245 [0,2,0,0,0,0|2,0,0]=4
9  B7R1.3  NC1CCCCC1 4172 [1,0,0,1,0,0|1,0,1]=4
10  B9R1.3  CN1CCCC(N)C1=O 3132 [0,1,0,1,0,0|2,0,0]=4
11  B9R1.148  N=S1(=O)CCCNCC1 4884 [0,1,0,1,0,0|2,0,0]=4
12  B9R1.133  CNC1CCS(=N)(=O)C1 4872 [0,1,0,1,0,0|2,0,0]=4