0  B8R0.29  CC(C)([NH3+])CCC(=O)O BB-0882 [0,1,0,0,0,0|0,0,2]=3
1  B8R1.51  O=S1(=O)C=CC(Br)C1 BB-0665 [0,0,0,1,0,0|2,0,1]=4
2  B9R0.57  CC(C)(C)CC(N)C(=O)O BB-0198 [0,2,0,0,0,0|0,0,2]=4