0  B7R0.4  COCCCC(=O)O 1781 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.2  CC[C@@H](C)CC(=O)O 911 [1,1,0,0,0,0|1,0,0]=3
2  B7R0.2  CC[C@H](C)CC(=O)O 916 [1,1,0,0,0,0|1,0,0]=3
3  B9R0.4  NCCC[C@@H](N)CC(=O)O 4677 [0,2,0,0,0,0|2,0,0]=4
4  B7R1.3  NC1CCCCC1 4172 [1,0,0,1,0,0|1,0,1]=4