0  B21R0.81  CCCCCCCCCCCCCCCCCCCC(N)=O A12587 [2,0,0,0,0,0|2,0,0]=4
1  B21R0.81  O=C(O)CCCCCCCCCCCCCCCCCCBr A10395 [2,0,0,0,0,0|2,0,0]=4