0 B12R2.24 Cc1cc2ccccc2nc1 CHEBI:20140 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.24 Cc1cnc2ccccc2n1 CHEBI:132812 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.24 c1ccc2c(c1)CCC(=O)O2 CHEBI:16151 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [0,0,0,0,0,0|1,0,2]=3 6 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [0,0,0,0,0,0|0,0,2]=2 7 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [0,0,0,0,0,0|1,0,3]=4 8 B12R2.24 c1ccc2c(c1)ncc(n2)O CHEBI:38890 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [0,0,0,0,0,0|1,0,3]=4 11 B11R2.20 C1C=CC=C2N1C=CC=C2 CHEBI:36618 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.20 C1C=CN2C=CC=CC2=C1 CHEBI:36645 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.20 c1ccc2=COCC=c2c1 CHEBI:36116 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.20 c1ccc2c(c1)C=CCO2 CHEBI:35601 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.20 c1ccc2c(c1)CC=CC2 CHEBI:38143 [1,0,0,0,0,0|1,0,1]=3 16 B11R2.20 c1ccc2c(c1)CC=CO2 CHEBI:35603 [1,0,0,0,0,0|0,0,1]=2 17 B11R2.20 c1ccc2c(c1)CCC=C2 CHEBI:38142 [1,0,0,0,0,0|1,0,0]=2 18 B11R2.20 c1ccc2c(c1)CCCC2 CHEBI:35008 [1,0,0,0,0,0|1,0,1]=3 19 B11R2.20 c1ccc2c(c1)CCCN2 CHEBI:213323 [1,0,0,0,0,0|1,0,1]=3 20 B11R2.20 c1ccc2c(c1)CCCO2 CHEBI:33224 [1,0,0,0,0,0|0,0,1]=2 21 B11R2.20 c1ccc2c(c1)CCOC2 CHEBI:33225 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.20 c1ccc2c(c1)COC=C2 CHEBI:36115 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.20 c1ccc2c(c1)ccc[o+]2 CHEBI:36114 [1,0,0,0,0,0|0,0,3]=4 24 B11R2.20 c1ccc2c(c1)cccn2 CHEBI:17362 [1,0,0,0,0,0|1,0,2]=4 25 B11R2.20 c1ccc2c(c1)ccnn2 CHEBI:36617 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.20 c1ccc2c(c1)cncn2 CHEBI:36621 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.20 c1ccc2c(c1)nccn2 CHEBI:36616 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.20 c1ccc2c(c1)ncnn2 CHEBI:38011 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.20 c1ccc2c[o+]ccc2c1 CHEBI:36119 [1,0,0,0,0,0|2,0,1]=4 30 B11R2.20 c1ccc2ccccc2c1 CHEBI:16482 [1,0,0,0,0,0|1,0,2]=4 31 B11R2.20 c1ccc2cnccc2c1 CHEBI:16092 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.57 c1ccc2cc(ccc2c1)C=O CHEBI:52368 [0,1,0,0,0,0|1,0,2]=4 33 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CHEBI:48987 [0,1,0,0,0,0|1,0,2]=4 34 B13R2.155 c1cc(cc2c1ccc(=O)o2)O CHEBI:27510 [0,1,0,0,0,0|0,0,2]=3 35 B13R2.162 Cc1cccc2c1[nH]c(=O)cc2 CHEBI:48989 [0,1,0,0,0,0|1,0,2]=4 36 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl CHEBI:48990 [0,1,0,0,0,0|1,0,2]=4 37 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)O CHEBI:48988 [0,1,0,0,0,0|1,0,2]=4 38 B13R2.328 Cc1cc(=O)[nH]c2c1cccc2 CHEBI:48986 [0,1,0,0,0,0|1,0,2]=4 39 B13R2.328 c1ccc2c(c1)C(=O)CC(=O)N2 CHEBI:85653 [0,1,0,0,0,0|1,0,1]=3 40 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O CHEBI:75926 [0,1,0,0,0,0|1,0,2]=4 41 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CHEBI:40070 [0,1,0,0,0,0|0,0,2]=3 42 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)[O-] CHEBI:77858 [0,1,0,0,0,0|0,0,2]=3 43 B13R2.369 Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [0,1,0,0,0,0|1,0,2]=4 44 B13R2.369 c1ccc2c(c1)CC(C(C2)O)O CHEBI:37879 [0,1,0,0,0,0|1,0,2]=4 45 B13R2.369 c1ccc2c(c1)C[C@@H]([C@H](C2)O)O CHEBI:37882 [0,1,0,0,0,0|1,0,2]=4 46 B13R2.369 c1ccc2c(c1)C[C@H]([C@@H](C2)O)O CHEBI:37883 [0,1,0,0,0,0|1,0,2]=4 47 B13R2.369 c1ccc2c(c1)C[C@H]([C@H](C2)O)O CHEBI:37881 [0,1,0,0,0,0|1,0,2]=4 48 B13R2.369 c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 CHEBI:563586 [0,1,0,0,0,0|0,0,2]=3 50 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O CHEBI:48996 [0,1,0,0,0,0|1,0,2]=4 51 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O CHEBI:48995 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.17 CCSCc1ccccc1O CHEBI:38487 [0,0,1,0,0,0|2,0,1]=4 53 B11R1.41 c1ccc(c(c1)C=O)NC=O CHEBI:18033 [0,0,1,0,0,0|2,0,1]=4 54 B11R1.86 CC(C)Oc1ccccc1O CHEBI:38547 [0,0,1,0,0,0|2,0,1]=4 55 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [0,0,1,0,0,0|3,0,0]=4 56 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [0,0,1,0,0,0|3,0,0]=4 57 B11R1.91 CC(=O)C#Cc1ccccc1 CHEBI:51731 [0,0,1,0,0,0|1,0,2]=4 58 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [0,0,1,0,0,0|2,0,0]=3 59 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [0,0,1,0,0,0|3,0,0]=4 60 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [0,0,1,0,0,0|1,0,2]=4 61 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [0,0,1,0,0,0|1,0,2]=4 62 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [0,0,1,0,0,0|1,0,2]=4 63 B11R1.91 c1ccc(cc1)C#CC(=O)O CHEBI:90355 [0,0,1,0,0,0|0,0,2]=3 64 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [0,0,1,0,0,0|0,0,0]=1 65 B11R1.91 c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [0,0,1,0,0,0|0,0,1]=2 66 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [0,0,1,0,0,0|1,0,0]=2 67 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [0,0,1,0,0,0|1,0,0]=2 68 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [0,0,1,0,0,0|1,0,1]=3 69 B11R1.91 c1ccc(cc1)\C=C/C(=O)N CHEBI:76321 [0,0,1,0,0,0|1,0,2]=4 70 B11R1.91 c1ccc(cc1)\C=C/C(=O)O CHEBI:35699 [0,0,1,0,0,0|0,0,2]=3 71 B11R1.91 c1ccc(cc1)\C=C/C(=O)[O-] CHEBI:35700 [0,0,1,0,0,0|0,0,3]=4 72 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:23246 [0,0,1,0,0,0|1,0,2]=4 73 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:76320 [0,0,1,0,0,0|1,0,2]=4 74 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:27386 [0,0,1,0,0,0|0,0,2]=3 75 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [0,0,1,0,0,0|0,0,2]=3 76 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:15669 [0,0,1,0,0,0|0,0,3]=4 77 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:23248 [0,0,1,0,0,0|0,0,3]=4 78 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [0,0,0,0,1,0|2,0,1]=4 79 B11R2.1 C=C1C=Nc2c1cccc2 CHEBI:63905 [0,0,0,0,1,0|2,0,1]=4 80 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,0,0,0,1,0|2,0,1]=4 81 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [0,0,0,0,1,0|1,0,1]=3 82 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,0,0,0,1,0|1,0,0]=2 83 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,0,0,0,1,0|0,0,0]=1 84 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [0,0,0,0,1,0|0,0,2]=3 85 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [0,0,0,0,1,0|1,0,0]=2 86 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [0,0,0,0,1,0|1,0,0]=2 87 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 CHEBI:167099 [0,0,0,0,1,0|2,0,0]=3 88 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [0,0,0,0,1,0|2,0,1]=4 89 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,0,0,0,1,0|1,0,2]=4 90 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [0,0,0,0,1,0|2,0,1]=4 91 B11R2.10 Cc1nc2ccccc2o1 CHEBI:51603 [0,0,0,0,1,0|2,0,0]=3 92 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 CHEBI:38580 [0,0,0,0,1,0|2,0,0]=3 93 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [0,0,0,0,1,0|1,0,1]=3 94 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [0,0,0,0,1,0|1,0,0]=2 95 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [0,0,0,0,1,0|1,0,0]=2 96 B11R2.10 c1ccc2c(c1)[nH]c(n2)N CHEBI:27822 [0,0,0,0,1,0|3,0,0]=4 97 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [0,0,0,0,1,0|2,0,1]=4 98 B11R2.10 c1ccc2c(c1)nc(s2)O CHEBI:115196 [0,0,0,0,1,0|1,1,1]=4 99 B11R2.10 c1ccc2c(c1)nc(s2)S CHEBI:34292 [0,0,0,0,1,0|1,2,0]=4 100 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [1,0,1,0,0,0|1,0,1]=4 101 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [1,0,1,0,0,0|1,0,1]=4 102 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [1,0,1,0,0,0|1,0,0]=3 103 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [1,0,1,0,0,0|1,0,1]=4 104 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [1,0,1,0,0,0|1,0,1]=4 105 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [1,0,1,0,0,0|1,0,1]=4 106 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [1,0,1,0,0,0|1,0,1]=4 107 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,0,1,0,0,0|2,0,0]=4 108 B10R1.17 c1ccc(cc1)\C=C\C=O CHEBI:16731 [1,0,1,0,0,0|0,0,2]=4 109 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,0,1,0,0,0|2,0,0]=4 110 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,0,1,0,0,0|2,0,0]=4 111 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,0,1,0,0,0|0,0,1]=3 112 B10R1.4 Cc1ccccc1N=C=O CHEBI:60099 [1,0,1,0,0,0|1,0,1]=4 113 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,0,1,0,0,0|0,0,1]=3 114 B10R1.20 COc1ccccc1OC CHEBI:59114 [1,0,1,0,0,0|1,0,1]=4 115 B10R1.20 c1ccc(c(c1)C=O)C=O CHEBI:70851 [1,0,1,0,0,0|1,0,1]=4 116 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [1,0,1,0,0,0|1,0,0]=3 117 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,0,1,0,0,0|1,0,0]=3 118 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [1,0,1,0,0,0|1,0,0]=3 119 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [1,0,1,0,0,0|0,0,0]=2 120 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [1,0,1,0,0,0|2,0,0]=4 121 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,0,1,0,0,0|2,0,0]=4 122 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,0,1,0,0,0|2,0,0]=4 123 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,0,1,0,0,0|2,0,0]=4 124 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [1,0,1,0,0,0|2,0,0]=4 125 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [1,0,1,0,0,0|2,0,0]=4 126 B12R1.125 CC(=CCc1ccccc1O)C CHEBI:1269 [0,1,1,0,0,0|1,0,1]=4 127 B12R1.125 c1ccc(c(c1)CCC(=O)O)O CHEBI:16104 [0,1,1,0,0,0|0,0,0]=2 128 B12R1.125 c1ccc(c(c1)CCC(=O)[O-])O CHEBI:46957 [0,1,1,0,0,0|0,0,0]=2 129 B12R1.125 c1ccc(c(c1)\C=C/C(=O)O)O CHEBI:28873 [0,1,1,0,0,0|0,0,2]=4 130 B12R1.125 c1ccc(c(c1)\C=C/C(=O)[O-])O CHEBI:47921 [0,1,1,0,0,0|0,0,2]=4 131 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O CHEBI:18125 [0,1,1,0,0,0|0,0,2]=4 132 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O CHEBI:18176 [0,1,1,0,0,0|0,0,2]=4 133 B12R1.125 c1ccc(c(c1)\C=C\C(=O)[O-])O CHEBI:11594 [0,1,1,0,0,0|0,0,2]=4 134 B12R1.125 c1ccc(c(c1)\C=C\C(=O)[O-])O CHEBI:12875 [0,1,1,0,0,0|0,0,2]=4 135 B12R1.267 Cc1ccccc1CCCC=C CHEBI:48651 [0,1,1,0,0,0|2,0,0]=4 136 B12R1.32 CCNC(=O)Cc1ccccc1 CHEBI:4737 [0,1,1,0,0,0|1,0,0]=3 137 B12R1.34 COC(=O)C(=O)c1ccccc1 CHEBI:84256 [0,1,1,0,0,0|2,0,0]=4 138 B12R1.151 Cc1ccccc1OS(=O)(=O)O CHEBI:133089 [0,1,1,0,0,0|2,0,0]=4 139 B12R1.151 Cc1ccccc1OS(=O)(=O)[O-] CHEBI:133090 [0,1,1,0,0,0|2,0,0]=4 140 B12R1.107 c1ccc(cc1)C(=O)CC(=O)O CHEBI:28759 [0,1,1,0,0,0|0,0,1]=3 141 B12R1.107 c1ccc(cc1)C(=O)CC(=O)[O-] CHEBI:22731 [0,1,1,0,0,0|0,0,2]=4 142 B12R1.107 c1ccc(cc1)C(CC(=O)O)N CHEBI:68528 [0,1,1,0,0,0|0,0,0]=2 143 B12R1.107 c1ccc(cc1)C(CC(=O)O)O CHEBI:19929 [0,1,1,0,0,0|0,0,0]=2 144 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])O CHEBI:63469 [0,1,1,0,0,0|0,0,1]=3 145 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])[NH3+] CHEBI:68527 [0,1,1,0,0,0|0,0,1]=3 146 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N CHEBI:67172 [0,1,1,0,0,0|0,0,0]=2 147 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O CHEBI:51059 [0,1,1,0,0,0|0,0,0]=2 148 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)[O-])[NH3+] CHEBI:67158 [0,1,1,0,0,0|0,0,1]=3 149 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N CHEBI:68525 [0,1,1,0,0,0|0,0,0]=2 150 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O CHEBI:51058 [0,1,1,0,0,0|0,0,0]=2 151 B12R1.107 c1ccc(cc1)[C@H](CC(=O)[O-])[NH3+] CHEBI:68506 [0,1,1,0,0,0|0,0,1]=3 152 B12R2.1081 CN1CCCc2c1cccc2 CHEBI:190941 [1,1,0,0,0,0|1,0,1]=4 153 B12R2.1081 c1cc2c(c(c1)O)CCCC2 CHEBI:45900 [1,1,0,0,0,0|1,0,1]=4 154 B12R2.1081 c1ccc2c(c1)CCOC2=O CHEBI:23745 [1,1,0,0,0,0|2,0,0]=4 155 B12R2.1081 c1ccc2c(c1)c(=O)cco2 CHEBI:72013 [1,1,0,0,0,0|0,0,2]=4 156 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O CHEBI:28238 [0,1,0,0,1,0|1,0,1]=4 157 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [0,1,0,0,1,0|1,0,1]=4 158 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O CHEBI:78877 [0,1,0,0,1,0|0,0,1]=3 159 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O CHEBI:38817 [0,1,0,0,1,0|1,0,1]=4 160 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O CHEBI:36605 [0,1,0,0,1,0|1,0,1]=4 161 B12R2.2028 c1ccc2c(c1)C(=O)OI2O CHEBI:52699 [0,1,0,0,1,0|2,0,0]=4 162 B12R2.2028 c1ccc2c(c1)C(OC2=O)O CHEBI:495639 [0,1,0,0,1,0|1,0,0]=3 163 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O CHEBI:36636 [0,1,0,0,1,0|2,0,0]=4 164 B12R2.95 CC1(Cc2ccccc2O1)C CHEBI:38475 [0,1,0,0,1,0|1,0,1]=4 165 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 CHEBI:77861 [0,1,0,0,1,0|1,0,0]=3 166 B12R2.606 c1cc2c(cc1Cl)nc(o2)O CHEBI:3655 [0,1,0,0,1,0|1,0,1]=4 167 B12R2.606 c1cc2c(cc1O)oc(=O)s2 CHEBI:568021 [0,1,0,0,1,0|1,0,0]=3 168 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O CHEBI:17313 [0,2,0,0,0,0|0,0,2]=4 169 B14R2.8188 c1ccc2c(c1)N(C(=O)C(O2)O)O CHEBI:63558 [0,2,0,0,0,0|2,0,0]=4 170 B14R2.134 COc1ccc2ccc(=O)oc2c1 CHEBI:5679 [0,2,0,0,0,0|0,0,2]=4 171 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O CHEBI:490095 [0,2,0,0,0,0|0,0,2]=4 172 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N CHEBI:51771 [0,2,0,0,0,0|0,0,2]=4 173 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O CHEBI:17224 [0,2,0,0,0,0|0,0,2]=4 174 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,0,1,0,1,0|0,0,0]=2 175 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [0,0,1,0,1,0|1,0,1]=4 176 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [0,0,1,0,1,0|1,0,1]=4 177 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [0,0,1,0,1,0|1,0,1]=4 178 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,0,1,0,1,0|2,0,0]=4 179 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,0,1,0,1,0|1,0,0]=3 180 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,0,1,0,1,0|1,0,1]=4 181 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,0,1,0,1,0|1,0,0]=3 182 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,0,1,0,1,0|1,0,0]=3 183 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,0,1,0,1,0|2,0,0]=4 184 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,0,1,0,1,0|1,0,0]=3 185 B10R1.61 Cc1c(cccn1)C(=O)N CHEBI:68440 [0,0,1,0,1,0|2,0,0]=4 186 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [0,0,1,0,1,0|1,0,0]=3 187 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [0,0,1,0,1,0|1,0,0]=3 188 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [0,0,1,0,1,0|1,0,0]=3 189 B10R1.61 Cc1ccccc1[N+](=O)[O-] CHEBI:33098 [0,0,1,0,1,0|2,0,0]=4 190 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [0,0,1,0,1,0|2,0,0]=4 191 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,0,1,0,1,0|2,0,0]=4 192 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [0,0,1,0,1,0|2,0,0]=4 193 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [0,0,1,0,1,0|2,0,0]=4 194 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [0,0,1,0,1,0|2,0,0]=4 195 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [0,0,1,0,1,0|2,0,0]=4 196 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [0,0,1,0,1,0|2,0,0]=4 197 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [0,0,1,0,1,0|2,0,0]=4 198 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [0,0,1,0,1,0|2,0,0]=4 199 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [0,0,1,0,1,0|2,0,0]=4 200 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [0,0,1,0,1,0|2,0,0]=4 201 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [0,0,1,0,1,0|2,0,0]=4 202 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [0,0,1,0,1,0|2,0,0]=4 203 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [0,0,1,0,1,0|2,0,0]=4 204 B10R1.66 c1c(nc[nH]1)CCC(=O)O CHEBI:73087 [0,0,1,0,1,0|2,0,0]=4 205 B10R2.7 C1C=CC2=CC=CC2=C1 CHEBI:33056 [1,0,0,0,1,0|1,0,1]=4 206 B10R2.7 C1C=CC=C2C1=CC=C2 CHEBI:33055 [1,0,0,0,1,0|1,0,1]=4 207 B10R2.7 c1cc2c(nc1)nco2 CHEBI:38581 [1,0,0,0,1,0|2,0,0]=4 208 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,0,1,0|0,0,1]=3 209 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,0,1,0|2,0,0]=4 210 B10R2.7 c1ccc2c(c1)C=C[CH]2 CHEBI:33053 [1,0,0,0,1,0|0,0,2]=4 211 B10R2.7 c1ccc2c(c1)C=C[C]2 CHEBI:33052 [1,0,0,0,1,0|0,0,2]=4 212 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,0,1,0|0,0,1]=3 213 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,0,1,0|1,0,0]=3 214 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,0,1,0|0,0,1]=3 215 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,0,1,0|1,0,0]=3 216 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,0,1,0|0,0,0]=2 217 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,0,1,0|1,0,0]=3 218 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,0,1,0|1,0,0]=3 219 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [1,0,0,0,1,0|1,0,0]=3 220 B10R2.7 c1ccc2c(c1)[n-]cn2 CHEBI:33173 [1,0,0,0,1,0|2,0,0]=4 221 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,0,1,0|2,0,0]=4 222 B10R2.7 c1ccc2c(c1)c[nH]n2 CHEBI:36670 [1,0,0,0,1,0|2,0,0]=4 223 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,0,1,0|1,0,1]=4 224 B10R2.7 c1ccc2c(c1)cco2 CHEBI:35260 [1,0,0,0,1,0|0,0,1]=3 225 B10R2.7 c1ccc2c(c1)ccs2 CHEBI:35858 [1,0,0,0,1,0|0,1,1]=4 226 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [1,0,0,0,1,0|2,0,0]=4 227 B10R2.7 c1ccc2c(c1)cno2 CHEBI:51554 [1,0,0,0,1,0|1,0,1]=4 228 B10R2.7 c1ccc2c(c1)con2 CHEBI:51555 [1,0,0,0,1,0|2,0,0]=4 229 B10R2.7 c1ccc2c(c1)nco2 CHEBI:38814 [1,0,0,0,1,0|1,0,0]=3 230 B10R2.7 c1ccc2c(c1)ncs2 CHEBI:45993 [1,0,0,0,1,0|1,1,0]=4 231 B10R2.7 c1ccc2c[nH]cc2c1 CHEBI:33179 [1,0,0,0,1,0|1,0,1]=4 232 B10R2.7 c1ccc2cocc2c1 CHEBI:35261 [1,0,0,0,1,0|1,0,1]=4 233 B10R2.7 c1ccc2cscc2c1 CHEBI:36953 [1,0,0,0,1,0|1,0,1]=4 234 B12R1.252 CC(=O)NCCc1ccccc1 CHEBI:18177 [0,0,1,0,0,1|1,0,0]=3 235 B12R1.252 CC(=O)OCCc1ccccc1 CHEBI:31988 [0,0,1,0,0,1|1,0,0]=3 236 B12R1.252 c1ccc(cc1)CCCC(=O)O CHEBI:41500 [0,0,1,0,0,1|0,0,0]=2 237 B12R1.252 c1ccc(cc1)CCCC(=O)[O-] CHEBI:75316 [0,0,1,0,0,1|0,0,1]=3 238 B12R1.252 c1ccc(cc1)CCCC(=O)[O-] CHEBI:75317 [0,0,1,0,0,1|0,0,1]=3