0  B9R1.23  COC1=NC(C)=C(Br)S1 79703 [0,0,0,0,0,0|2,0,2]=4
1  B8R1.1  CC1=CSC(CN)=N1 C11625 [1,0,0,0,0,0|1,0,2]=4
2  B9R2.7  O=C1NC2CCCC12 D70003 [0,0,0,1,1,0|1,0,1]=4