0  B16R2.6164  c1ccc(cc1)c2c(c(=O)nc([nH]2)N)Br 4316 [0,0,0,0,0,0|0,1,2]=3
1  B14R2.21  c1ccc(cc1)c2cc(ncn2)I 3429 [2,0,0,0,0,0|1,0,0]=3