0 B9R1.69 C1=CC(=O)C(=CC1=O)O CHEBI:18400 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.69 C1=CC(=O)C(=CC1=O)[O-] CHEBI:58474 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.69 Cc1cc(ccc1N)N CHEBI:53619 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 Cc1cc(ccc1N)O CHEBI:55546 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 Cc1cc(ccc1O)Cl CHEBI:1800 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 Cc1cc(ccc1O)O CHEBI:133842 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 Cc1ccc(c(c1)C)C CHEBI:34039 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 Cc1ccc(c(c1)C)N CHEBI:27840 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 Cc1ccc(c(c1)N)C CHEBI:518305 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 Cc1ccc(c(c1)O)O CHEBI:17254 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.69 Cc1ccc(cc1C)N CHEBI:39901 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 Cc1ccc(cc1C)O CHEBI:39839 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 Cc1ccc(cc1Cl)N CHEBI:37824 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 Cc1ccc(cc1N)N CHEBI:34237 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 c1cc(c(cc1Br)Cl)O CHEBI:38852 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 c1cc(c(cc1Cl)Cl)Cl CHEBI:28222 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 c1cc(c(cc1Cl)Cl)N CHEBI:46635 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 c1cc(c(cc1Cl)Cl)O CHEBI:16738 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.69 c1cc(c(cc1Cl)N)Cl CHEBI:34245 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 c1cc(c(cc1Cl)O)Cl CHEBI:27929 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.69 c1cc(c(cc1Cl)O)N CHEBI:75051 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.69 c1cc(c(cc1Cl)O)O CHEBI:27772 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.69 c1cc(c(cc1N)Cl)Cl CHEBI:16767 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 c1cc(c(cc1N)Cl)N CHEBI:76597 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 c1cc(c(cc1N)Cl)N CHEBI:76598 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 c1cc(c(cc1N)N)N CHEBI:29148 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 c1cc(c(cc1O)Cl)O CHEBI:27675 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.69 c1cc(c(cc1O)N)O CHEBI:13769 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.69 c1cc(c(cc1O)O)O CHEBI:16971 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.69 c1cc(c(cc1[NH3+])Cl)[NH3+] CHEBI:76599 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 c1cc(nc(c1O)O)O CHEBI:16683 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.3 C=C1C=CC(=N)C=C1 CHEBI:52416 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.3 C=c1ccc(=C)cc1 CHEBI:52410 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.3 c1cc(ccc1Br)Br CHEBI:37150 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.3 c1cc(ccc1Cl)Cl CHEBI:28618 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.3 c1cc(ccc1N)Cl CHEBI:20331 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.3 c1cc(ccc1N)N CHEBI:51403 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.3 c1cc(ccc1N)O CHEBI:17602 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.3 c1cc(ccc1O)Br CHEBI:47248 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.3 c1cc(ccc1O)Cl CHEBI:28078 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.3 c1cc(ccc1O)I CHEBI:43521 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.3 c1cc(ccc1O)O CHEBI:17594 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.3 c1cc(ccc1O)O CHEBI:26491 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.3 c1cc(ccc1O)[O] CHEBI:17977 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.3 c1cc(ncc1O)O CHEBI:16364 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.4 Cc1cccc(c1)C CHEBI:28488 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.4 Cc1cccc(c1)O CHEBI:17231 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.4 Cc1cccc(n1)C CHEBI:32548 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.4 c1c(cncc1Br)Br CHEBI:51593 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.4 c1cc(cc(c1)Br)Br CHEBI:37151 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.4 c1cc(cc(c1)Cl)Cl CHEBI:36693 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.4 c1cc(cc(c1)Cl)O CHEBI:38855 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.4 c1cc(cc(c1)F)F CHEBI:38584 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.4 c1cc(cc(c1)F)N CHEBI:27873 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.4 c1cc(cc(c1)I)O CHEBI:33439 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.4 c1cc(cc(c1)N)N CHEBI:8092 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.4 c1cc(cc(c1)O)N CHEBI:28924 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.4 c1cc(cc(c1)O)O CHEBI:27810 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.4 c1cc(nc(c1)O)O CHEBI:17681 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.5 C1=CC(=N)C(=O)C=C1 CHEBI:55409 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.5 C1=CC(=O)C(=O)C=C1 CHEBI:17253 [1,0,0,0,0,0|1,0,1]=3 69 B8R1.5 C=C1C=CC=CC1=N CHEBI:52415 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.5 C=C1C=CC=CC1=O CHEBI:52409 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.5 C=c1ccccc1=C CHEBI:52411 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.5 Cc1ccccc1C CHEBI:28063 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.5 Cc1ccccc1I CHEBI:39813 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.5 Cc1ccccc1N CHEBI:66892 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.5 Cc1ccccc1O CHEBI:28054 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.5 c1c[nH]cc(c1=O)O CHEBI:28630 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.5 c1cc(c(nc1)O)O CHEBI:131454 [1,0,0,0,0,0|0,0,2]=3 78 B8R1.5 c1ccc(c(c1)Br)Br CHEBI:37152 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.5 c1ccc(c(c1)Cl)Cl CHEBI:35290 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.5 c1ccc(c(c1)F)F CHEBI:38583 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.5 c1ccc(c(c1)N)F CHEBI:27526 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.5 c1ccc(c(c1)N)N CHEBI:34043 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.5 c1ccc(c(c1)N)O CHEBI:18112 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.5 c1ccc(c(c1)N)S CHEBI:91019 [1,0,0,0,0,0|2,1,0]=4 85 B8R1.5 c1ccc(c(c1)O)Cl CHEBI:47083 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.5 c1ccc(c(c1)O)I CHEBI:16706 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.5 c1ccc(c(c1)O)O CHEBI:18135 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.5 c1ccc(c(c1)O)[O-] CHEBI:50524 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.5 c1ccc(c(c1)[O-])[O-] CHEBI:32402 [1,0,0,0,0,0|1,0,2]=4 90 B8R1.5 c1ccn(c(=S)c1)O CHEBI:36578 [1,0,0,0,0,0|2,1,0]=4 91 B8R1.5 c1cncc(c1O)O CHEBI:29053 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.5 c1cocc(c1=O)Br CHEBI:52506 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.22 Cc1c(cc(cc1O)O)O CHEBI:19336 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.22 Cc1cc(c(c(c1)O)C)C CHEBI:38570 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.22 Cc1cc(cc(c1O)O)Cl CHEBI:28288 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.22 Cc1cc(cc(c1O)O)O CHEBI:17185 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.22 c1c(cc(c(c1O)O)Cl)Cl CHEBI:15788 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.22 c1c(cc(c(c1O)O)O)O CHEBI:16746 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.25 c1cc(c(cc1O)O)C=O CHEBI:50198 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.118 CC1=CC(=O)C(=CC1=O)O CHEBI:81667 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.118 CC1=CC(=O)C(=CC1=O)[O-] CHEBI:88190 [0,1,0,0,0,0|1,0,2]=4 102 B10R1.118 Cc1cc(c(cc1C)C)C CHEBI:38978 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.118 Cc1cc(c(cc1N)C)N CHEBI:53613 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.118 Cc1cn(c(=O)[nH]c1=O)C CHEBI:74765 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.118 c1c(c(=O)[nH]c(c1Cl)Cl)Cl CHEBI:83490 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O CHEBI:28520 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.118 c1c(c(cc(c1Cl)O)Cl)O CHEBI:27545 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.119 Cc1c(c(=O)ccn1C)O CHEBI:68554 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.119 Cc1c[nH]c(=O)n(c1=O)C CHEBI:74766 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.119 Cc1ccc(c(c1C)C)C CHEBI:38997 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.119 c1cc(c(c(c1Cl)O)O)Cl CHEBI:28318 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.119 c1cc(c(c(c1Cl)O)[O-])Cl CHEBI:77767 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.119 c1cc(c(c(c1O)O)Cl)Cl CHEBI:90882 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.176 C1C(=O)C(=C[C@H](O1)CO)O CHEBI:50070 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [0,0,1,0,0,0|2,0,1]=4 117 B8R0.8 C\C=C/CC(=O)C(=O)O CHEBI:38352 [0,0,1,0,0,0|2,0,0]=3 118 B8R0.8 C\C=C/CC(=O)C(=O)[O-] CHEBI:38354 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:28998 [0,0,1,0,0,0|2,0,0]=3 120 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:38353 [0,0,1,0,0,0|2,0,0]=3 121 B8R0.8 C\C=C\CC(=O)C(=O)[O-] CHEBI:19751 [0,0,1,0,0,0|2,0,1]=4 122 B8R0.8 C\C=C\CC(=O)C(=O)[O-] CHEBI:38351 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.23 C(=C(\C(=O)O)/O)/C(=O)O CHEBI:28394 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.23 C(=C(\C(=O)[O-])/O)/C(=O)[O-] CHEBI:17479 [0,0,1,0,0,0|3,0,0]=4 125 B8R1.18 C1(=O)C(=O)NC(=O)N1 CHEBI:74661 [0,0,0,0,1,0|2,0,1]=4 126 B8R1.50 CC1=C(C(=O)CO1)O CHEBI:74456 [0,0,0,0,1,0|2,0,0]=3 127 B7R0.5 C=CCC(=O)C(=O)O CHEBI:37318 [1,0,1,0,0,0|2,0,0]=4 128 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [1,0,1,0,0,0|1,0,0]=3 129 B7R0.5 C=C\C=C(/C(=O)[O-])\O CHEBI:60886 [1,0,1,0,0,0|1,0,0]=3 130 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [1,0,1,0,0,0|1,0,0]=3 131 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [1,0,1,0,0,0|1,0,0]=3 132 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:37319 [1,0,1,0,0,0|1,0,0]=3 133 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:67152 [1,0,1,0,0,0|1,0,0]=3 134 B7R0.4 C\C=C/C=C/C(=O)O CHEBI:38361 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [1,0,1,0,0,0|2,0,0]=4 139 B7R0.6 C(=C/C(=O)O)/C(=O)N CHEBI:29045 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.6 C(=C/C(=O)[O-])/C(=O)N CHEBI:16146 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.6 CC(=O)\C=C/C(=O)O CHEBI:28993 [1,0,1,0,0,0|2,0,0]=4 142 B7R1.3 C[n+]1ccccc1 CHEBI:15761 [2,0,0,0,0,0|2,0,0]=4 143 B7R1.3 Cc1ccccc1 CHEBI:17578 [2,0,0,0,0,0|1,0,0]=3 144 B7R1.3 Cc1ccccn1 CHEBI:50415 [2,0,0,0,0,0|1,0,1]=4 145 B7R1.3 Cc1cccnc1 CHEBI:39922 [2,0,0,0,0,0|0,0,1]=3 146 B7R1.3 Cc1ccncc1 CHEBI:32547 [2,0,0,0,0,0|2,0,0]=4 147 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [2,0,0,0,0,0|2,0,0]=4 148 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [2,0,0,0,0,0|2,0,0]=4 149 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [2,0,0,0,0,0|1,0,1]=4 150 B7R1.3 c1cc(cnc1)O CHEBI:87440 [2,0,0,0,0,0|0,0,1]=3 151 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.3 c1ccc(cc1)F CHEBI:5115 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.3 c1ccc(cc1)N CHEBI:17296 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.3 c1ccc(cc1)O CHEBI:15882 [2,0,0,0,0,0|1,0,0]=3 156 B7R1.3 c1ccc(cc1)S CHEBI:48498 [2,0,0,0,0,0|1,1,0]=4 157 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [2,0,0,0,0,0|2,0,0]=4 158 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [2,0,0,0,0,0|2,0,0]=4 160 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [2,0,0,0,0,0|1,0,1]=4 161 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [2,0,0,0,0,0|1,0,1]=4 162 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [2,0,0,0,0,0|1,0,1]=4 163 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [2,0,0,0,0,0|1,0,1]=4 164 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [2,0,0,0,0,0|1,0,1]=4 165 B7R1.3 c1ccnc(c1)O CHEBI:16540 [2,0,0,0,0,0|0,0,2]=4 166 B7R1.3 c1ccnc(c1)S CHEBI:45223 [2,0,0,0,0,0|0,1,1]=4 167 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [2,0,0,0,0,0|1,0,0]=3 168 B7R1.3 c1cnccc1O CHEBI:87614 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.3 c1coccc1=O CHEBI:37966 [2,0,0,0,0,0|2,0,0]=4 170 B9R0.18 C\C(=C/C=C/O)\C=C\C=O CHEBI:67191 [0,1,1,0,0,0|1,0,0]=3 171 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [1,1,0,0,0,0|1,0,1]=4 178 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [1,1,0,0,0,0|1,0,1]=4 180 B9R1.2 CCc1cccc(c1)C CHEBI:77512 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.2 COc1cccc(c1)O CHEBI:52678 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.2 Cc1cccc(c1)C=O CHEBI:28476 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.2 c1cc(cc(c1)O)C=O CHEBI:16207 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.2 c1cc(cc(c1)O)CO CHEBI:17069 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.2 c1cc(cc(c1)O)NO CHEBI:50446 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.3 Cc1cccc(c1C)C CHEBI:34037 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.3 Cc1cccc(c1N)C CHEBI:28738 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.3 Cc1cccc(c1O)O CHEBI:18404 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.3 c1cc(c(c(c1)Cl)O)O CHEBI:27715 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.3 c1cc(c(c(c1)F)O)O CHEBI:39876 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.3 c1cc(c(c(c1)O)O)O CHEBI:16164 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.34 Cc1cc(cc(=O)o1)O CHEBI:16458 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.34 Cc1cc(cc(c1)C)C CHEBI:34833 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.34 Cc1cc(cc(c1)O)C CHEBI:38572 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.34 Cc1cc(cc(c1)O)O CHEBI:16536 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.34 c1c(cc(cc1Cl)Cl)O CHEBI:88214 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.34 c1c(cc(cc1O)O)O CHEBI:16204 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.15 COc1ccccc1I CHEBI:16355 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.15 COc1ccccc1O CHEBI:28591 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.37 CC1=C(C(=O)C(=C)O1)O CHEBI:76245 [0,1,0,0,1,0|2,0,0]=4 205 B9R1.37 Cc1c(c(c(o1)C)[O-])O CHEBI:76248 [0,1,0,0,1,0|2,0,0]=4 206 B9R1.27 CC1=C(C(=O)OC1)CO CHEBI:66047 [0,1,0,0,1,0|1,0,1]=4 207 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)O CHEBI:46691 [0,2,0,0,0,0|1,0,1]=4 208 B11R1.166 CC(=O)c1ccc(cc1O)O CHEBI:18414 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.166 Cc1ccc(c(c1)C)C(=O)[O-] CHEBI:64812 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.166 Cc1ccc(c(c1)O)C(C)C CHEBI:27607 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.278 Cc1c(cnc(c1O)C)CO CHEBI:65083 [0,2,0,0,0,0|1,0,1]=4 215 B11R1.279 c1cc(c(cc1CO)O)C=O CHEBI:20414 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CHEBI:64825 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.280 COc1cc(ccc1O)CN CHEBI:46958 [0,2,0,0,0,0|1,0,1]=4 218 B11R1.280 COc1cc(ccc1O)CO CHEBI:18353 [0,2,0,0,0,0|1,0,1]=4 219 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [0,2,0,0,0,0|1,0,1]=4 220 B11R1.21 Cc1ccc(cc1O)C(C)C CHEBI:3440 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.192 C1=CC(=O)C(=O)C=C1CCN CHEBI:74684 [0,2,0,0,0,0|1,0,1]=4 222 B11R1.192 c1cc(c(cc1CC=O)O)O CHEBI:27978 [0,2,0,0,0,0|1,0,1]=4 223 B11R1.192 c1cc(c(cc1CCN)O)O CHEBI:18243 [0,2,0,0,0,0|1,0,1]=4 224 B11R1.192 c1cc(c(cc1CCO)O)O CHEBI:68889 [0,2,0,0,0,0|1,0,1]=4 225 B11R1.192 c1cc(c(cc1CC[NH3+])O)O CHEBI:59905 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.16 CC(=C(C(=O)O)O)C CHEBI:132177 [0,0,1,0,1,0|1,0,1]=4 227 B7R1.2 C1=CC(=O)NC1=O CHEBI:16072 [1,0,0,0,1,0|1,0,0]=3 228 B7R1.2 C1=CC(=O)OC1=O CHEBI:474859 [1,0,0,0,1,0|2,0,0]=4 229 B7R1.2 C=C1C=CC(=O)O1 CHEBI:28906 [1,0,0,0,1,0|1,0,1]=4 230 B7R1.2 CC1=CCC(=O)O1 CHEBI:36433 [1,0,0,0,1,0|1,0,1]=4 231 B7R1.2 CC1C=CC(=O)O1 CHEBI:36436 [1,0,0,0,1,0|1,0,1]=4 232 B7R1.2 C[C@@H]1C=CC(=O)O1 CHEBI:36443 [1,0,0,0,1,0|1,0,1]=4 233 B7R1.2 C[C@H]1C=CC(=O)O1 CHEBI:36444 [1,0,0,0,1,0|1,0,1]=4