0 B13R2.369 Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.369 Cc1cc2ccccc2cc1C CHEBI:48615 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.369 c1ccc2cc(c(cc2c1)O)O CHEBI:38135 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.24 Cc1cc2ccccc2nc1 CHEBI:20140 [1,0,0,0,0,0|2,0,1]=4 5 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.24 c1cc2cc(ccc2nc1)O CHEBI:48994 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 c1cc2ccc(cc2nc1)O CHEBI:48980 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [1,0,0,0,0,0|1,0,2]=4 12 B12R2.24 c1ccc2c(c1)ncc(n2)O CHEBI:38890 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.8188 Cc1c(c(=O)c2ccccc2[nH]1)O CHEBI:29216 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.8188 Cc1c(c(=O)c2ccccc2[nH]1)[O-] CHEBI:58616 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.8188 c1ccc2c(c1)N(C(=O)C(O2)O)O CHEBI:63558 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.43 c1ccc(cc1)C=C(C(=O)O)O CHEBI:32815 [0,0,1,0,0,0|2,0,0]=3 19 B12R1.43 c1ccc(cc1)C=C(C(=O)[O-])O CHEBI:16815 [0,0,1,0,0,0|2,0,0]=3 20 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O CHEBI:30851 [0,0,1,0,0,0|3,0,0]=4 21 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [0,0,0,0,1,0|2,0,0]=3 22 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [0,0,0,0,1,0|2,0,1]=4 23 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [0,0,0,0,1,0|1,0,1]=3 24 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [0,0,0,0,1,0|1,0,1]=3 25 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [0,0,0,0,1,0|1,0,1]=3 26 B12R2.100 c1c[nH]c2=CC(=O)C(=O)C=c21 CHEBI:27406 [0,0,0,0,1,0|1,0,2]=4 27 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O CHEBI:27404 [0,0,0,0,1,0|1,0,2]=4 28 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.91 c1ccc(cc1)\C=C/C(=O)N CHEBI:76321 [1,0,1,0,0,0|1,0,0]=3 32 B11R1.91 c1ccc(cc1)\C=C/C(=O)O CHEBI:35699 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.91 c1ccc(cc1)\C=C/C(=O)[O-] CHEBI:35700 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:23246 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:76320 [1,0,1,0,0,0|1,0,0]=3 36 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:27386 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:15669 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:23248 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.41 c1ccc(c(c1)C=O)NC=O CHEBI:18033 [1,0,1,0,0,0|1,0,1]=4 41 B11R2.20 c1cc2ccncc2nc1 CHEBI:36626 [2,0,0,0,0,0|2,0,0]=4 42 B11R2.20 c1cc2cnccc2nc1 CHEBI:36627 [2,0,0,0,0,0|0,0,1]=3 43 B11R2.20 c1ccc2c(c1)ccc[o+]2 CHEBI:36114 [2,0,0,0,0,0|2,0,0]=4 44 B11R2.20 c1ccc2c(c1)cccn2 CHEBI:17362 [2,0,0,0,0,0|1,0,1]=4 45 B11R2.20 c1ccc2c(c1)ccnn2 CHEBI:36617 [2,0,0,0,0,0|2,0,0]=4 46 B11R2.20 c1ccc2c(c1)cncn2 CHEBI:36621 [2,0,0,0,0,0|2,0,0]=4 47 B11R2.20 c1ccc2c[o+]ccc2c1 CHEBI:36119 [2,0,0,0,0,0|2,0,0]=4 48 B11R2.20 c1ccc2ccccc2c1 CHEBI:16482 [2,0,0,0,0,0|2,0,0]=4 49 B11R2.20 c1ccc2cnccc2c1 CHEBI:16092 [2,0,0,0,0,0|1,0,0]=3 50 B11R2.20 c1ccc2cnncc2c1 CHEBI:36597 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.20 c1cncc2c1ccnc2 CHEBI:36629 [2,0,0,0,0,0|2,0,0]=4 52 B11R2.20 c1cncc2c1cncc2 CHEBI:36630 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.133 c1cc(ccc1\C=C(\C(=O)O)/O)O CHEBI:27683 [0,1,1,0,0,0|2,0,0]=4 54 B13R2.32 c1ccc2c(c1)c(=O)c(c[nH]2)O CHEBI:16569 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.32 c1ccc2c(c1)c(=O)c(c[nH]2)[O-] CHEBI:57819 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.32 c1ccc2c(c1)c(c(cn2)O)O CHEBI:28788 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.32 c1ccc2c(c1)ccc(c2O)O CHEBI:17435 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.57 c1ccc2cc(ccc2c1)C=O CHEBI:52368 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.57 c1ccc2cc(ccc2c1)CO CHEBI:27615 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CHEBI:48987 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.155 c1cc(cc2c1ccc(=O)o2)O CHEBI:27510 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.162 Cc1cccc2c1[nH]c(=O)cc2 CHEBI:48989 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl CHEBI:48990 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)O CHEBI:48988 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.328 Cc1cc(=O)[nH]c2c1cccc2 CHEBI:48986 [1,1,0,0,0,0|1,0,0]=3 66 B13R2.328 c1ccc2c(c1)C(=O)CC(=O)N2 CHEBI:85653 [1,1,0,0,0,0|1,0,1]=4 67 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O CHEBI:75926 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CHEBI:40070 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)[O-] CHEBI:77858 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 CHEBI:563586 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O CHEBI:48996 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O CHEBI:34466 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O CHEBI:48995 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.5179 c1cc2cc(ccc2c(c1)O)O CHEBI:42040 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.5179 c1cc2cc(cnc2c(c1)O)O CHEBI:66125 [1,1,0,0,0,0|1,0,1]=4 76 B13R2.359 CC1(c2ccccc2NC1=O)O CHEBI:28254 [0,1,0,0,1,0|1,0,1]=4 77 B13R2.3028 c1cc2c(cc1N)C(=O)C(=O)N2 CHEBI:59593 [0,1,0,0,1,0|1,0,1]=4 78 B15R2.117 COc1cc2ccncc2cc1OC CHEBI:2971 [0,2,0,0,0,0|1,0,1]=4 79 B15R2.13981 Cc1cc2c(ccc(c2O)O)[nH]c1=O CHEBI:16937 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [0,0,1,0,1,0|2,0,0]=4 81 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,0,1,0,1,0|1,0,1]=4 82 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [1,0,0,0,1,0|2,0,0]=4 83 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [1,0,0,0,1,0|2,0,0]=4 84 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [1,0,0,0,1,0|2,0,0]=4 85 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [1,0,0,0,1,0|1,0,0]=3 86 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [1,0,0,0,1,0|2,0,0]=4 87 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [1,0,0,0,1,0|1,0,1]=4 88 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [1,0,0,0,1,0|1,0,1]=4 89 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.36 C1=CC(=O)C=C2C1=CC=N2 CHEBI:51633 [1,0,0,0,1,0|1,0,1]=4 91 B11R2.36 C1=CC2=NC=CC2=CC1=O CHEBI:51632 [1,0,0,0,1,0|1,0,0]=3 92 B11R2.36 c1cc2c(cc[nH]2)cc1O CHEBI:89649 [1,0,0,0,1,0|2,0,0]=4