0 B7R1.3 C1CC=CC(=O)C1 CHEBI:15977 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 C[n+]1ccccc1 CHEBI:15761 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 Cc1ccccc1 CHEBI:17578 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 Cc1ccccn1 CHEBI:50415 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 Cc1cccnc1 CHEBI:39922 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 Cc1ccncc1 CHEBI:32547 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 c1c(cncn1)N CHEBI:38619 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 c1cc(cnc1)O CHEBI:87440 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 c1cc[n+](cc1)[O-] CHEBI:29136 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 c1ccc(cc1)F CHEBI:5115 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 c1ccc(cc1)N CHEBI:17296 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.3 c1ccc(cc1)O CHEBI:15882 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 c1ccc(cc1)S CHEBI:48498 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [0,0,0,0,0,0|1,0,1]=2 21 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 c1ccnc(c1)O CHEBI:16540 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 c1ccnc(c1)S CHEBI:45223 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 c1cnc(nc1)N CHEBI:38618 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.3 c1cnc(nc1)O CHEBI:53577 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.3 c1cnc(nc1)S CHEBI:53576 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.3 c1cnccc1Br CHEBI:51576 [0,0,0,0,0,0|1,0,0]=1 33 B7R1.3 c1cnccc1N CHEBI:34385 [0,0,0,0,0,0|0,0,0]=0 34 B7R1.3 c1cnccc1O CHEBI:87614 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.3 c1cncnc1N CHEBI:38616 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.3 c1coccc1=O CHEBI:37966 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.3 c1ncnc(n1)Cl CHEBI:38074 [0,0,0,0,0,0|3,0,0]=3 38 B6R1.1 C1=CC#CC=C1 CHEBI:33668 [1,0,0,0,0,0|1,0,1]=3 39 B6R1.1 C1=COC=CO1 CHEBI:134044 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.1 C1C=CC=CO1 CHEBI:35592 [1,0,0,0,0,0|1,0,1]=3 41 B6R1.1 C1C=CCC=C1 CHEBI:37611 [1,0,0,0,0,0|1,0,1]=3 42 B6R1.1 C1C=COC=C1 CHEBI:35593 [1,0,0,0,0,0|1,0,1]=3 43 B6R1.1 C1CC=CC=C1 CHEBI:37610 [1,0,0,0,0,0|1,0,1]=3 44 B6R1.1 c1cc[o+]cc1 CHEBI:36120 [1,0,0,0,0,0|1,0,0]=2 45 B6R1.1 c1ccccc1 CHEBI:16716 [1,0,0,0,0,0|1,0,0]=2 46 B6R1.1 c1ccncc1 CHEBI:16227 [1,0,0,0,0,0|0,0,0]=1 47 B6R1.1 c1ccnnc1 CHEBI:30954 [1,0,0,0,0,0|1,0,0]=2 48 B6R1.1 c1cnccn1 CHEBI:30953 [1,0,0,0,0,0|1,0,0]=2 49 B6R1.1 c1cncnc1 CHEBI:16898 [1,0,0,0,0,0|1,0,0]=2 50 B6R1.1 c1cnncn1 CHEBI:38057 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.1 c1cnnnc1 CHEBI:38058 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.1 c1cnnnn1 CHEBI:39322 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.1 c1ncncn1 CHEBI:30259 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.1 c1ncnnn1 CHEBI:39324 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.1 c1nncnn1 CHEBI:39320 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.2 CCc1ccccc1 CHEBI:16101 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.2 CNc1ccccc1 CHEBI:15733 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.2 COC1=CC#CC=C1 CHEBI:33831 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.2 COc1ccccc1 CHEBI:16579 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.2 COc1ncncn1 CHEBI:38929 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.2 CSc1ncncn1 CHEBI:38062 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [0,1,0,0,0,0|1,0,1]=3 64 B8R1.2 c1cc(cnc1)C#N CHEBI:86556 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [0,1,0,0,0,0|1,0,1]=3 75 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [0,1,0,0,0,0|1,0,1]=3 82 B8R1.2 c1ccnc(c1)C#N CHEBI:27837 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [0,1,0,0,0,0|1,0,1]=3 87 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.3 C=C1C=CC(=N)C=C1 CHEBI:52416 [0,1,0,0,0,0|1,0,1]=3 89 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.3 C=c1ccc(=C)cc1 CHEBI:52410 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.3 c1cc(ccc1Br)Br CHEBI:37150 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.3 c1cc(ccc1Cl)Cl CHEBI:28618 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.3 c1cc(ccc1N)Cl CHEBI:20331 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.3 c1cc(ccc1N)N CHEBI:51403 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.3 c1cc(ccc1N)O CHEBI:17602 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.3 c1cc(ccc1O)Br CHEBI:47248 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.3 c1cc(ccc1O)Cl CHEBI:28078 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.3 c1cc(ccc1O)I CHEBI:43521 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.3 c1cc(ccc1O)O CHEBI:17594 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.3 c1cc(ccc1O)O CHEBI:26491 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.3 c1cc(ccc1O)[O] CHEBI:17977 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.3 c1cc(ncc1O)O CHEBI:16364 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.4 Cc1cccc(c1)C CHEBI:28488 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.4 Cc1cccc(c1)O CHEBI:17231 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.4 Cc1cccc(n1)C CHEBI:32548 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.4 c1c(cncc1Br)Br CHEBI:51593 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.4 c1c[nH]c(=O)[nH]c1=O CHEBI:17568 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.4 c1c[nH]c(=O)nc1N CHEBI:16040 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.4 c1c[nH]c(=S)[nH]c1=O CHEBI:348530 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.4 c1cc(cc(c1)Br)Br CHEBI:37151 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.4 c1cc(cc(c1)Cl)Cl CHEBI:36693 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.4 c1cc(cc(c1)Cl)O CHEBI:38855 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.4 c1cc(cc(c1)F)F CHEBI:38584 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.4 c1cc(cc(c1)F)N CHEBI:27873 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.4 c1cc(cc(c1)I)O CHEBI:33439 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.4 c1cc(cc(c1)N)N CHEBI:8092 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.4 c1cc(cc(c1)O)N CHEBI:28924 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.4 c1cc(cc(c1)O)O CHEBI:27810 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.4 c1cc(nc(c1)O)O CHEBI:17681 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.4 c1cnc(cc1N)N CHEBI:51599 [0,1,0,0,0,0|0,0,0]=1 126 B8R1.4 c1cnc(nc1O)N CHEBI:55502 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.4 c1nc([nH]c(=O)n1)N CHEBI:72474 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.4 c1nc(nc(n1)N)N CHEBI:38071 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.5 C1=CC(=N)C(=O)C=C1 CHEBI:55409 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.5 C1=CC(=O)C(=O)C=C1 CHEBI:17253 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.5 C=C1C=CC=CC1=N CHEBI:52415 [0,1,0,0,0,0|1,0,1]=3 132 B8R1.5 C=C1C=CC=CC1=O CHEBI:52409 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.5 C=c1ccccc1=C CHEBI:52411 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.5 Cc1cccc[n+]1[O-] CHEBI:35578 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.5 Cc1ccccc1C CHEBI:28063 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.5 Cc1ccccc1I CHEBI:39813 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.5 Cc1ccccc1N CHEBI:66892 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.5 Cc1ccccc1O CHEBI:28054 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.5 c1c[nH]cc(c1=O)O CHEBI:28630 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.5 c1cc(c(nc1)O)O CHEBI:131454 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.5 c1cc[n+](c(c1)S)[O-] CHEBI:36584 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.5 c1ccc(c(c1)Br)Br CHEBI:37152 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.5 c1ccc(c(c1)Cl)Cl CHEBI:35290 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.5 c1ccc(c(c1)F)F CHEBI:38583 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.5 c1ccc(c(c1)N)F CHEBI:27526 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.5 c1ccc(c(c1)N)N CHEBI:34043 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.5 c1ccc(c(c1)N)O CHEBI:18112 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.5 c1ccc(c(c1)N)S CHEBI:91019 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.5 c1ccc(c(c1)O)Cl CHEBI:47083 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.5 c1ccc(c(c1)O)I CHEBI:16706 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.5 c1ccc(c(c1)O)O CHEBI:18135 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.5 c1ccc(c(c1)O)[O-] CHEBI:50524 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.5 c1ccc(c(c1)[O-])[O-] CHEBI:32402 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.5 c1ccn(c(=S)c1)O CHEBI:36578 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.5 c1cncc(c1I)N CHEBI:132363 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.5 c1cncc(c1O)O CHEBI:29053 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.5 c1cocc(c1=O)Br CHEBI:52506 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.4 C=C\C=C\C(=O)O CHEBI:35964 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.4 C=C\C=C\C(=O)O CHEBI:37331 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.4 C=C\C=C\C(=O)[O-] CHEBI:37322 [0,0,1,0,0,0|3,0,0]=4 161 B6R1.2 C1C(=O)NC=N1 CHEBI:28470 [0,0,0,0,1,0|2,0,1]=4 162 B6R1.2 C1C=CC(=O)O1 CHEBI:38118 [0,0,0,0,1,0|2,0,1]=4 163 B6R1.2 C1C=COC1=O CHEBI:38120 [0,0,0,0,1,0|2,0,1]=4 164 B6R1.2 C=C1C=CC=C1 CHEBI:51999 [0,0,0,0,1,0|1,0,0]=2 165 B6R1.2 Cc1c[nH]cn1 CHEBI:40035 [0,0,0,0,1,0|2,0,1]=4 166 B6R1.2 Cc1c[nH]nc1 CHEBI:5141 [0,0,0,0,1,0|2,0,0]=3 167 B6R1.2 Cc1cccs1 CHEBI:35849 [0,0,0,0,1,0|2,0,0]=3 168 B6R1.2 Cc1ccsc1 CHEBI:37992 [0,0,0,0,1,0|2,0,0]=3 169 B6R1.2 Cc1cscn1 CHEBI:35626 [0,0,0,0,1,0|3,0,0]=4 170 B6R1.2 Cn1cccn1 CHEBI:59025 [0,0,0,0,1,0|3,0,0]=4 171 B6R1.2 Cn1ccnc1 CHEBI:113454 [0,0,0,0,1,0|2,0,0]=3 172 B6R1.2 c1[nH]nc(n1)N CHEBI:40036 [0,0,0,0,1,0|2,0,1]=4 173 B6R1.2 c1c(cn[nH]1)I CHEBI:45260 [0,0,0,0,1,0|2,0,0]=3 174 B6R1.2 c1c(nc[nH]1)N CHEBI:16607 [0,0,0,0,1,0|1,0,1]=3 175 B6R1.2 c1c[nH+]c([nH]1)Cl CHEBI:52719 [0,0,0,0,1,0|3,0,0]=4 176 B6R1.2 c1c[nH]c(=O)[nH]1 CHEBI:51022 [0,0,0,0,1,0|3,0,0]=4 177 B6R1.2 c1c[nH]oc1=O CHEBI:76851 [0,0,0,0,1,0|2,0,1]=4 178 B6R1.2 c1ccs(=O)c1 CHEBI:36603 [0,0,0,0,1,0|2,0,0]=3 179 B6R1.2 c1cnc([nH]1)Cl CHEBI:52721 [0,0,0,0,1,0|3,0,0]=4 180 B6R1.2 c1csc(n1)Cl CHEBI:39187 [0,0,0,0,1,0|3,0,0]=4 181 B6R1.2 c1csc(n1)N CHEBI:40782 [0,0,0,0,1,0|2,0,0]=3 182 B6R1.2 c1cssc1=S CHEBI:50866 [0,0,0,0,1,0|3,0,0]=4 183 B5R0.1 C=COC(=O)N CHEBI:27292 [1,0,1,0,0,0|2,0,0]=4 184 B5R0.2 C(=C/C=O)/C=O CHEBI:38126 [1,0,1,0,0,0|2,0,0]=4 185 B5R0.2 C(=C\C=O)/C=O CHEBI:38123 [1,0,1,0,0,0|2,0,0]=4 186 B5R0.2 C(=C\C=O)/C=O CHEBI:39827 [1,0,1,0,0,0|2,0,0]=4 187 B7R0.1 CC\C=C\C=C\C=C CHEBI:77504 [0,1,1,0,0,0|2,0,0]=4 188 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [0,1,0,0,1,0|2,0,0]=4 189 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [0,1,0,0,1,0|2,0,0]=4 190 B7R1.1 c1cc(oc1)CO CHEBI:207496 [0,1,0,0,1,0|2,0,0]=4 191 B7R1.1 c1cc(oc1)CO CHEBI:53371 [0,1,0,0,1,0|2,0,0]=4 192 B7R1.1 c1cc(sc1)C=O CHEBI:87301 [0,1,0,0,1,0|2,0,0]=4 193 B7R1.1 c1cocc1C=O CHEBI:87609 [0,1,0,0,1,0|2,0,0]=4 194 B7R1.1 c1cscc1C=O CHEBI:87611 [0,1,0,0,1,0|2,0,0]=4 195 B7R1.2 C1=CC(=O)NC1=O CHEBI:16072 [0,1,0,0,1,0|2,0,0]=4 196 B7R1.2 C1=CC(=O)OC1=O CHEBI:474859 [0,1,0,0,1,0|2,0,0]=4 197 B7R1.2 C=C1C=CC(=O)O1 CHEBI:28906 [0,1,0,0,1,0|2,0,0]=4 198 B7R1.2 Cc1cc(no1)O CHEBI:5827 [0,1,0,0,1,0|2,0,0]=4 199 B7R1.2 c1([nH]nc(n1)N)N CHEBI:75425 [0,1,0,0,1,0|2,0,0]=4 200 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [0,2,0,0,0,0|2,0,0]=4 201 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [0,2,0,0,0,0|2,0,0]=4 202 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [0,2,0,0,0,0|1,0,0]=3 203 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [0,2,0,0,0,0|1,0,0]=3 204 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [0,2,0,0,0,0|2,0,0]=4 205 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [0,2,0,0,0,0|2,0,0]=4 206 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [0,2,0,0,0,0|2,0,0]=4 207 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [0,2,0,0,0,0|2,0,0]=4 208 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [0,2,0,0,0,0|1,0,1]=4 209 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [0,2,0,0,0,0|2,0,0]=4 210 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [0,2,0,0,0,0|2,0,0]=4 211 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [0,2,0,0,0,0|1,0,0]=3 212 B9R1.2 CCc1cccc(c1)C CHEBI:77512 [0,2,0,0,0,0|2,0,0]=4 213 B9R1.2 CNc1cc[nH]c(=O)n1 CHEBI:21839 [0,2,0,0,0,0|1,0,1]=4 214 B9R1.2 COc1cccc(c1)O CHEBI:52678 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.2 COc1nccc(n1)N CHEBI:70854 [0,2,0,0,0,0|1,0,0]=3 216 B9R1.2 Cc1cccc(c1)C=O CHEBI:28476 [0,2,0,0,0,0|2,0,0]=4 217 B9R1.2 c1cc(cc(c1)O)C=O CHEBI:16207 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.2 c1cc(cc(c1)O)CO CHEBI:17069 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.2 c1cc(cc(c1)O)NO CHEBI:50446 [0,2,0,0,0,0|1,0,0]=3 220 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [0,2,0,0,0,0|2,0,0]=4 221 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [0,2,0,0,0,0|2,0,0]=4 223 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.6 CC(c1ccccc1)N CHEBI:670 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.6 CC(c1ccccc1)O CHEBI:669 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [0,2,0,0,0,0|1,1,0]=4 228 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [0,2,0,0,0,0|1,0,0]=3 229 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [0,2,0,0,0,0|2,0,0]=4 230 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [0,2,0,0,0,0|1,0,0]=3 231 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [0,2,0,0,0,0|1,0,0]=3 235 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [0,2,0,0,0,0|1,0,0]=3 236 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [0,2,0,0,0,0|2,0,0]=4 238 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [0,2,0,0,0,0|1,0,0]=3 240 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [0,2,0,0,0,0|1,1,0]=4 243 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [0,2,0,0,0,0|1,0,1]=4 244 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [0,2,0,0,0,0|0,0,0]=2 246 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [0,2,0,0,0,0|1,0,0]=3 247 B9R1.8 CCCc1ccccc1 CHEBI:42630 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.8 CCOc1ccccc1 CHEBI:67129 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [0,2,0,0,0,0|1,0,1]=4 250 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [0,2,0,0,0,0|1,0,1]=4 251 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [0,2,0,0,0,0|1,0,0]=3 253 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [0,2,0,0,0,0|1,0,1]=4 255 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [0,2,0,0,0,0|1,0,1]=4 256 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [0,2,0,0,0,0|1,0,1]=4 257 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [0,2,0,0,0,0|1,0,0]=3 258 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [0,2,0,0,0,0|1,0,1]=4 259 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.15 CCc1ccccc1C CHEBI:34276 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.15 COc1ccccc1I CHEBI:16355 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.15 COc1ccccc1O CHEBI:28591 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [0,2,0,0,0,0|1,0,1]=4 265 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.69 C1=CC(=O)C(=CC1=O)O CHEBI:18400 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.69 C1=CC(=O)C(=CC1=O)[O-] CHEBI:58474 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.69 Cc1c[nH]c(=O)nc1N CHEBI:27551 [0,2,0,0,0,0|1,0,1]=4 270 B9R1.69 Cc1cc(ccc1N)N CHEBI:53619 [0,2,0,0,0,0|1,0,0]=3 271 B9R1.69 Cc1cc(ccc1N)O CHEBI:55546 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.69 Cc1cc(ccc1O)Cl CHEBI:1800 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.69 Cc1cc(ccc1O)O CHEBI:133842 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.69 Cc1ccc(c(c1)C)C CHEBI:34039 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.69 Cc1ccc(c(c1)C)N CHEBI:27840 [0,2,0,0,0,0|1,0,0]=3 276 B9R1.69 Cc1ccc(c(c1)N)C CHEBI:518305 [0,2,0,0,0,0|1,0,0]=3 277 B9R1.69 Cc1ccc(c(c1)O)O CHEBI:17254 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.69 Cc1ccc(cc1C)N CHEBI:39901 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.69 Cc1ccc(cc1C)O CHEBI:39839 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.69 Cc1ccc(cc1Cl)N CHEBI:37824 [0,2,0,0,0,0|1,0,0]=3 281 B9R1.69 Cc1ccc(cc1N)N CHEBI:34237 [0,2,0,0,0,0|1,0,0]=3 282 B9R1.69 Cn1ccc(nc1=O)N CHEBI:39624 [0,2,0,0,0,0|1,0,1]=4 283 B9R1.69 c1c(c(nc(=O)[nH]1)N)F CHEBI:5100 [0,2,0,0,0,0|1,0,1]=4 284 B9R1.69 c1cc(c(cc1Br)Cl)O CHEBI:38852 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.69 c1cc(c(cc1Cl)Cl)Cl CHEBI:28222 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.69 c1cc(c(cc1Cl)Cl)N CHEBI:46635 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.69 c1cc(c(cc1Cl)Cl)O CHEBI:16738 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.69 c1cc(c(cc1Cl)N)Cl CHEBI:34245 [0,2,0,0,0,0|1,0,0]=3 289 B9R1.69 c1cc(c(cc1Cl)O)Cl CHEBI:27929 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.69 c1cc(c(cc1Cl)O)N CHEBI:75051 [0,2,0,0,0,0|1,0,0]=3 291 B9R1.69 c1cc(c(cc1Cl)O)O CHEBI:27772 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.69 c1cc(c(cc1N)Cl)Cl CHEBI:16767 [0,2,0,0,0,0|1,0,0]=3 293 B9R1.69 c1cc(c(cc1N)Cl)N CHEBI:76597 [0,2,0,0,0,0|1,0,0]=3 294 B9R1.69 c1cc(c(cc1N)Cl)N CHEBI:76598 [0,2,0,0,0,0|1,0,0]=3 295 B9R1.69 c1cc(c(cc1N)N)N CHEBI:29148 [0,2,0,0,0,0|1,0,0]=3 296 B9R1.69 c1cc(c(cc1O)Cl)O CHEBI:27675 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.69 c1cc(c(cc1O)N)O CHEBI:13769 [0,2,0,0,0,0|1,0,0]=3 298 B9R1.69 c1cc(c(cc1O)O)O CHEBI:16971 [0,2,0,0,0,0|2,0,0]=4 299 B9R1.69 c1cc(c(cc1[NH3+])Cl)[NH3+] CHEBI:76599 [0,2,0,0,0,0|1,0,1]=4 300 B9R1.3 Cc1c(cccc1N)N CHEBI:76288 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.3 Cc1cccc(c1C)C CHEBI:34037 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.3 Cc1cccc(c1N)C CHEBI:28738 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.3 Cc1cccc(c1O)O CHEBI:18404 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.3 Cn1c(ccnc1=O)N CHEBI:39992 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.3 c1c(c(c(nn1)O)Cl)N CHEBI:83479 [0,2,0,0,0,0|1,0,0]=3 306 B9R1.3 c1cc(c(c(c1)Br)O)Br CHEBI:19391 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl CHEBI:35289 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.3 c1cc(c(c(c1)Cl)Cl)N CHEBI:46636 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.3 c1cc(c(c(c1)Cl)N)Cl CHEBI:46630 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.3 c1cc(c(c(c1)Cl)O)Cl CHEBI:28457 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.3 c1cc(c(c(c1)Cl)O)O CHEBI:27715 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.3 c1cc(c(c(c1)F)O)O CHEBI:39876 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.3 c1cc(c(c(c1)N)N)N CHEBI:38753 [0,2,0,0,0,0|1,0,0]=3 314 B9R1.3 c1cc(c(c(c1)O)O)O CHEBI:16164 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.34 Cc1cc(cc(=O)o1)O CHEBI:16458 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.34 Cc1cc(cc(=O)o1)[O-] CHEBI:57778 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.34 Cc1cc(cc(c1)C)C CHEBI:34833 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.34 Cc1cc(cc(c1)O)C CHEBI:38572 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.34 Cc1cc(cc(c1)O)O CHEBI:16536 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.34 Cc1cc(nc(n1)N)Cl CHEBI:58960 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.34 Cc1cc(nc(n1)N)O CHEBI:58959 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.34 Cc1nc(nc(n1)N)N CHEBI:72475 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.34 c1([nH+]c(nc(n1)N)N)N CHEBI:77798 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.34 c1(nc(nc(n1)Cl)N)N CHEBI:27726 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.34 c1(nc(nc(n1)Cl)O)N CHEBI:27797 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.34 c1(nc(nc(n1)N)N)N CHEBI:27915 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.34 c1(nc(nc(n1)O)N)N CHEBI:28646 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.34 c1(nc(nc(n1)O)O)N CHEBI:28134 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.34 c1c(cc(cc1Cl)Cl)Cl CHEBI:49916 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.34 c1c(cc(cc1Cl)Cl)N CHEBI:19904 [0,2,0,0,0,0|1,0,0]=3 331 B9R1.34 c1c(cc(cc1Cl)Cl)O CHEBI:88214 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.34 c1c(cc(cc1N)N)N CHEBI:38754 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.34 c1c(cc(cc1O)O)O CHEBI:16204 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.34 c1c(nc(nc1N)N)N CHEBI:39857 [0,2,0,0,0,0|1,0,0]=3 335 B7R1.24 C1C=CC=CC=C1 CHEBI:37519 [0,0,1,1,0,0|2,0,0]=4 336 B7R1.24 c1ccc[cH+]cc1 CHEBI:48079 [0,0,1,1,0,0|2,0,0]=4 337 B9R2.50 c1ccc2c(c1)CC2 CHEBI:87328 [0,1,0,1,0,0|2,0,0]=4 338 B5R1.1 C1=C[CH+]C=C1 CHEBI:36771 [1,0,0,0,1,0|0,0,1]=3 339 B5R1.1 C1=C[CH]C=C1 CHEBI:36769 [1,0,0,0,1,0|0,0,1]=3 340 B5R1.1 C1=C[SiH2]C=C1 CHEBI:50588 [1,0,0,0,1,0|0,1,0]=3 341 B5R1.1 C1C=CC=C1 CHEBI:30664 [1,0,0,0,1,0|0,0,1]=3 342 B5R1.1 C1C=CC=N1 CHEBI:35558 [1,0,0,0,1,0|0,0,1]=3 343 B5R1.1 C1C=CC=P1 CHEBI:47850 [1,0,0,0,1,0|0,1,1]=4 344 B5R1.1 C1C=CC=[As]1 CHEBI:37178 [1,0,0,0,1,0|0,1,1]=4 345 B5R1.1 C1C=CC=[SiH]1 CHEBI:50592 [1,0,0,0,1,0|0,1,1]=4 346 B5R1.1 C1C=CN=C1 CHEBI:35557 [1,0,0,0,1,0|0,0,1]=3 347 B5R1.1 C1C=CN=N1 CHEBI:38595 [1,0,0,0,1,0|1,0,1]=4 348 B5R1.1 C1C=CP=C1 CHEBI:47851 [1,0,0,0,1,0|0,1,1]=4 349 B5R1.1 C1C=C[As]=C1 CHEBI:37179 [1,0,0,0,1,0|0,1,1]=4 350 B5R1.1 C1C=C[SiH]=C1 CHEBI:50589 [1,0,0,0,1,0|0,1,1]=4 351 B5R1.1 C1C=NC=N1 CHEBI:51802 [1,0,0,0,1,0|1,0,1]=4 352 B5R1.1 C1C=NN=C1 CHEBI:38599 [1,0,0,0,1,0|1,0,1]=4 353 B5R1.1 [cH-]1cccc1 CHEBI:36767 [1,0,0,0,1,0|0,0,1]=3 354 B5R1.1 [cH-]1cnnc1 CHEBI:38600 [1,0,0,0,1,0|1,0,1]=4 355 B5R1.1 c1[nH]cnn1 CHEBI:46077 [1,0,0,0,1,0|2,0,0]=4 356 B5R1.1 c1[nH]ncn1 CHEBI:35550 [1,0,0,0,1,0|2,0,0]=4 357 B5R1.1 c1c[n-]nc1 CHEBI:30367 [1,0,0,0,1,0|1,0,0]=3 358 B5R1.1 c1c[nH+]c[nH]1 CHEBI:50059 [1,0,0,0,1,0|1,0,1]=4 359 B5R1.1 c1c[nH][nH+]c1 CHEBI:33140 [1,0,0,0,1,0|1,0,1]=4 360 B5R1.1 c1c[nH]nc1 CHEBI:17241 [1,0,0,0,1,0|1,0,0]=3 361 B5R1.1 c1cc[asH]c1 CHEBI:33131 [1,0,0,0,1,0|0,1,0]=3 362 B5R1.1 c1cc[nH]c1 CHEBI:19203 [1,0,0,0,1,0|0,0,1]=3 363 B5R1.1 c1cc[pH]c1 CHEBI:33134 [1,0,0,0,1,0|0,1,0]=3 364 B5R1.1 c1cc[se]c1 CHEBI:30857 [1,0,0,0,1,0|1,0,0]=3 365 B5R1.1 c1cc[te]c1 CHEBI:30858 [1,0,0,0,1,0|1,0,0]=3 366 B5R1.1 c1ccoc1 CHEBI:35559 [1,0,0,0,1,0|1,0,0]=3 367 B5R1.1 c1ccsc1 CHEBI:30856 [1,0,0,0,1,0|1,0,0]=3 368 B5R1.1 c1cn[nH]n1 CHEBI:35566 [1,0,0,0,1,0|2,0,0]=4 369 B5R1.1 c1cnc[n-]1 CHEBI:30366 [1,0,0,0,1,0|1,0,0]=3 370 B5R1.1 c1cnc[nH]1 CHEBI:16069 [1,0,0,0,1,0|1,0,0]=3 371 B5R1.1 c1cnn[nH]1 CHEBI:35565 [1,0,0,0,1,0|2,0,0]=4 372 B5R1.1 c1cnoc1 CHEBI:35595 [1,0,0,0,1,0|1,0,0]=3 373 B5R1.1 c1cnsc1 CHEBI:35600 [1,0,0,0,1,0|1,0,0]=3 374 B5R1.1 c1cnsn1 CHEBI:39469 [1,0,0,0,1,0|2,0,0]=4 375 B5R1.1 c1cocn1 CHEBI:35597 [1,0,0,0,1,0|1,0,0]=3 376 B5R1.1 c1cscn1 CHEBI:43732 [1,0,0,0,1,0|1,0,0]=3 377 B5R1.1 c1csnn1 CHEBI:39468 [1,0,0,0,1,0|2,0,0]=4 378 B5R1.1 c1ncsn1 CHEBI:39471 [1,0,0,0,1,0|2,0,0]=4 379 B5R1.1 c1nncs1 CHEBI:39472 [1,0,0,0,1,0|2,0,0]=4