0 B13R2.162 Cc1ccc2cccc(c2c1)C CHEBI:48612 [1,0,0,0,0,0|2,0,0]=3 1 B13R2.162 Cc1cccc2c1[nH]c(=O)cc2 CHEBI:48989 [1,0,0,0,0,0|0,0,0]=1 2 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl CHEBI:48990 [1,0,0,0,0,0|1,0,0]=2 3 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)O CHEBI:48988 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.162 c1cc2ccc(nc2c(c1)O)O CHEBI:17715 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.369 Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.369 Cc1cc2ccccc2cc1C CHEBI:48615 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.369 c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.369 c1ccc2cc(c(cc2c1)O)O CHEBI:38135 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.5179 Cc1ccc2c(cccc2c1)C CHEBI:34065 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.5179 c1cc2cc(ccc2c(c1)O)O CHEBI:42040 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.5179 c1cc2cc(cnc2c(c1)O)O CHEBI:66125 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.4928 Cc1cccc(c1NC(=O)CN)C CHEBI:357241 [0,0,1,0,0,0|1,0,2]=4 13 B13R1.4928 Cc1cccc(c1NC(=O)CN)C CHEBI:55539 [0,0,1,0,0,0|1,0,2]=4 14 B12R1.43 c1ccc(cc1)C=C(C(=O)O)O CHEBI:32815 [1,0,1,0,0,0|1,0,0]=3 15 B12R1.43 c1ccc(cc1)C=C(C(=O)[O-])O CHEBI:16815 [1,0,1,0,0,0|1,0,0]=3 16 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O CHEBI:30851 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O CHEBI:61118 [1,0,1,0,0,0|1,0,0]=3 18 B12R1.226 c1cc(cc(c1)O)\C=C/C(=O)O CHEBI:47926 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O CHEBI:32357 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O CHEBI:47925 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)[O-] CHEBI:47927 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)[O-] CHEBI:47928 [1,0,1,0,0,0|2,0,0]=4 23 B12R2.24 Cc1cc2ccccc2nc1 CHEBI:20140 [2,0,0,0,0,0|1,0,1]=4 24 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [2,0,0,0,0,0|1,0,1]=4 26 B12R2.24 c1cc2cc(ccc2nc1)O CHEBI:48994 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.24 c1cc2ccc(cc2nc1)O CHEBI:48980 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [2,0,0,0,0,0|0,0,0]=2 29 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [2,0,0,0,0,0|1,0,0]=3 30 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [2,0,0,0,0,0|0,0,2]=4 31 B12R2.24 c1ccc2c(c1)ncc(n2)O CHEBI:38890 [2,0,0,0,0,0|1,0,1]=4 32 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [2,0,0,0,0,0|1,0,0]=3 34 B12R2.1081 Cc1cccc2c1cccc2 CHEBI:50717 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.1081 Cc1cccc2c1nccc2 CHEBI:48984 [2,0,0,0,0,0|0,0,1]=3 36 B12R2.1081 Cc1cccc2c1nccn2 CHEBI:132799 [2,0,0,0,0,0|1,0,1]=4 37 B12R2.1081 Cc1ccnc2c1cccc2 CHEBI:48983 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.1081 [B]c1cccc2c1cccc2 CHEBI:38991 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.1081 c1cc2cccnc2c(c1)Cl CHEBI:48985 [2,0,0,0,0,0|1,0,1]=4 40 B12R2.1081 c1cc2cccnc2c(c1)O CHEBI:48981 [2,0,0,0,0,0|1,0,1]=4 41 B12R2.1081 c1ccc2c(c1)cccc2N CHEBI:50450 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.1081 c1ccc2c(c1)cccc2O CHEBI:10319 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O CHEBI:17313 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.28523 Cc1cccc2c1c(c(cc2)O)O CHEBI:38136 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.8188 Cc1c(c(=O)c2ccccc2[nH]1)O CHEBI:29216 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.8188 Cc1c(c(=O)c2ccccc2[nH]1)[O-] CHEBI:58616 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.8188 c1ccc2c(c1)N(C(=O)C(O2)O)O CHEBI:63558 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.28480 c1cc2cc(cc(c2c(c1)O)O)O CHEBI:18393 [1,1,0,0,0,0|2,0,0]=4 49 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O CHEBI:17224 [1,1,0,0,0,0|2,0,0]=4 50 B16R2.133342 Cc1c(ccc2c1oc(=O)c(c2O)N)O CHEBI:74154 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)N CHEBI:83716 [0,0,1,0,1,0|2,0,0]=4 52 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [1,0,0,0,1,0|1,0,0]=3 53 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [1,0,0,0,1,0|1,0,1]=4 54 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [1,0,0,0,1,0|0,0,1]=3 55 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [1,0,0,0,1,0|0,0,1]=3 56 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [1,0,0,0,1,0|0,0,1]=3