0  B7R0.3  CCC(=O)\C=C\C=O 4517 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  C=CC[N+](=O)[O-] 4236 [2,0,0,0,0,0|2,0,0]=4
2  B9R0.34  C=CC(O)CC(=O)OCC 3752 [0,2,0,0,0,0|1,0,0]=3
3  B9R1.35  O=C1CC[C@H](C(=O)O)O1 2037 [0,1,0,1,0,0|1,1,0]=4