0 B13R2.1613 C=Cc1cccc2c1cccc2 CHEBI:51327 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.1613 c1ccc2c(c1)cccc2C=O CHEBI:52367 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.1613 c1ccc2c(c1)cccc2CO CHEBI:38137 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.1613 c1ccc2c(c1)cccc2NO CHEBI:34871 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.1613 c1ccc2c(c1)cnnc2NN CHEBI:31672 [0,0,0,0,0,0|0,0,0]=0 5 B13R2.1613 c1ccc2c(c1)cnnc2NN CHEBI:5775 [0,0,0,0,0,0|0,0,0]=0 6 B12R2.1081 Cc1cccc2c1cccc2 CHEBI:50717 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.1081 [B]c1cccc2c1cccc2 CHEBI:38991 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O CHEBI:18350 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.1081 c1ccc2c(c1)cccc2N CHEBI:50450 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.1081 c1ccc2c(c1)cccc2O CHEBI:10319 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 c1ccc2c(c1)ccoc2=O CHEBI:38759 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O CHEBI:34023 [1,0,0,0,0,0|1,0,1]=3 13 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN CHEBI:65009 [0,0,0,0,1,0|2,0,1]=4 14 B11R2.20 c1cc2ccncc2nc1 CHEBI:36626 [2,0,0,0,0,0|2,0,0]=4 15 B11R2.20 c1cc2cnccc2nc1 CHEBI:36627 [2,0,0,0,0,0|2,0,0]=4 16 B11R2.20 c1ccc2=COCC=c2c1 CHEBI:36116 [2,0,0,0,0,0|2,0,0]=4 17 B11R2.20 c1ccc2c(c1)ccnn2 CHEBI:36617 [2,0,0,0,0,0|2,0,0]=4 18 B11R2.20 c1ccc2c(c1)cncn2 CHEBI:36621 [2,0,0,0,0,0|2,0,0]=4 19 B11R2.20 c1ccc2c(c1)cnnn2 CHEBI:38586 [2,0,0,0,0,0|1,0,0]=3 20 B11R2.20 c1ccc2c[o+]ccc2c1 CHEBI:36119 [2,0,0,0,0,0|2,0,0]=4 21 B11R2.20 c1ccc2ccccc2c1 CHEBI:16482 [2,0,0,0,0,0|2,0,0]=4 22 B11R2.20 c1ccc2cnccc2c1 CHEBI:16092 [2,0,0,0,0,0|1,0,0]=3 23 B11R2.20 c1ccc2cnncc2c1 CHEBI:36597 [2,0,0,0,0,0|0,0,0]=2 24 B11R2.20 c1cncc2c1ccnc2 CHEBI:36629 [2,0,0,0,0,0|2,0,0]=4 25 B11R2.20 c1cncc2c1cncc2 CHEBI:36630 [2,0,0,0,0,0|2,0,0]=4 26 B13R2.342 c1cc2c(cccc2N)c(c1)N CHEBI:53003 [1,1,0,0,0,0|2,0,0]=4 27 B13R2.342 c1cc2c(ccnc2O)c(c1)O CHEBI:64044 [1,1,0,0,0,0|2,0,0]=4 28 B15R2.18471 c1ccc2c(c1)cccc2NCCN CHEBI:53510 [0,2,0,0,0,0|2,0,0]=4 29 B15R3.3513 c1cc2c3c(c1)[nH]cc3C=CN=C2 CHEBI:48268 [0,0,0,1,0,1|2,0,0]=4 30 B11R2.1 C=C1C=Nc2c1cccc2 CHEBI:63905 [1,0,0,0,1,0|2,0,0]=4 31 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [1,0,0,0,1,0|2,0,0]=4 32 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [1,0,0,0,1,0|1,0,1]=4