0 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.2 CCc1ccccc1 CHEBI:16101 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 CCc1cnccn1 CHEBI:73232 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 CNc1ccccc1 CHEBI:15733 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 COC1=CC#CC=C1 CHEBI:33831 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.2 COC1=CC=CC#C1 CHEBI:33826 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.2 COc1ccccc1 CHEBI:16579 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 c1cc(cnc1)C#N CHEBI:86556 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [0,0,0,0,0,0|1,0,1]=2 19 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [0,0,0,0,0,0|1,0,1]=2 23 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 c1ccnc(c1)C#N CHEBI:27837 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [0,0,0,0,0,0|1,0,2]=3 28 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 c1cnc(cn1)C#N CHEBI:3982 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.3 C[n+]1ccccc1 CHEBI:15761 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 Cc1ccccc1 CHEBI:17578 [1,0,0,0,0,0|0,0,0]=1 33 B7R1.3 Cc1ccccn1 CHEBI:50415 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.3 Cc1cccnc1 CHEBI:39922 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.3 Cc1ccncc1 CHEBI:32547 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 c1c(cncn1)N CHEBI:38619 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 c1cc(cnc1)O CHEBI:87440 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 c1cc[n+](cc1)[O-] CHEBI:29136 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 c1ccc(cc1)F CHEBI:5115 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 c1ccc(cc1)N CHEBI:17296 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 c1ccc(cc1)O CHEBI:15882 [1,0,0,0,0,0|0,0,0]=1 47 B7R1.3 c1ccc(cc1)S CHEBI:48498 [1,0,0,0,0,0|0,1,0]=2 48 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [1,0,0,0,0,0|0,0,1]=2 52 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [1,0,0,0,0,0|0,0,1]=2 53 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [1,0,0,0,0,0|0,0,1]=2 54 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 c1ccnc(c1)O CHEBI:16540 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.3 c1ccnc(c1)S CHEBI:45223 [1,0,0,0,0,0|1,1,0]=3 58 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [1,0,0,0,0,0|1,0,1]=3 59 B7R1.3 c1cnc(nc1)N CHEBI:38618 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.3 c1cnc(nc1)O CHEBI:53577 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 c1cnc(nc1)S CHEBI:53576 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.3 c1cnccc1Br CHEBI:51576 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.3 c1cnccc1N CHEBI:34385 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.3 c1cnccc1O CHEBI:87614 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.3 c1cncnc1N CHEBI:38616 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.3 c1coccc1=O CHEBI:37966 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [0,1,0,0,0,0|0,0,2]=3 74 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [0,1,0,0,0,0|0,0,0]=1 75 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [0,1,0,0,0,0|0,0,2]=3 77 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [0,1,0,0,0,0|0,0,0]=1 78 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.2 CCc1cccc(c1)C CHEBI:77512 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.2 COc1cccc(c1)O CHEBI:52678 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.2 Cc1cccc(c1)C=O CHEBI:28476 [0,1,0,0,0,0|0,0,2]=3 82 B9R1.2 c1cc(cc(c1)O)C=O CHEBI:16207 [0,1,0,0,0,0|0,0,2]=3 83 B9R1.2 c1cc(cc(c1)O)CO CHEBI:17069 [0,1,0,0,0,0|0,0,0]=1 84 B9R1.2 c1cc(cc(c1)O)NO CHEBI:50446 [0,1,0,0,0,0|1,0,0]=2 85 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [0,1,0,0,0,0|1,0,0]=2 86 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [0,1,0,0,0,0|0,0,3]=4 87 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [0,1,0,0,0,0|0,0,1]=2 88 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [0,1,0,0,0,0|0,0,2]=3 89 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.6 CC(c1ccccc1)N CHEBI:670 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.6 CC(c1ccccc1)O CHEBI:669 [0,1,0,0,0,0|0,0,0]=1 92 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [0,1,0,0,0,0|0,0,0]=1 96 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [0,1,0,0,0,0|1,0,1]=3 99 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [0,1,0,0,0,0|1,0,2]=4 100 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [0,1,0,0,0,0|0,0,2]=3 104 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [0,1,0,0,0,0|0,0,1]=2 105 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [0,1,0,0,0,0|0,0,2]=3 106 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [0,1,0,0,0,0|0,0,2]=3 107 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [0,1,0,0,0,0|1,0,1]=3 110 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [0,1,0,0,0,0|1,0,2]=4 113 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [0,1,0,0,0,0|1,0,2]=4 115 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [0,1,0,0,0,0|1,0,2]=4 117 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.8 CCCc1ccccc1 CHEBI:42630 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.8 CCOc1ccccc1 CHEBI:67129 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.8 c1cc(cnc1)\C=N\O CHEBI:86555 [0,1,0,0,0,0|1,0,1]=3 121 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [0,1,0,0,0,0|0,0,2]=3 122 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [0,1,0,0,0,0|0,0,1]=2 124 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [0,1,0,0,0,0|0,0,0]=1 126 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [0,1,0,0,0,0|0,0,2]=3 128 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [0,1,0,0,0,0|0,1,1]=3 129 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [0,1,0,0,0,0|0,0,2]=3 130 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [0,1,0,0,0,0|1,0,1]=3 131 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.15 CCc1ccccc1C CHEBI:34276 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.15 COc1ccccc1I CHEBI:16355 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.15 COc1ccccc1O CHEBI:28591 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [0,1,0,0,0,0|0,0,2]=3 136 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [0,1,0,0,0,0|0,0,2]=3 138 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [0,1,0,0,0,0|0,0,0]=1 139 B7R0.1 CC\C=C\C=C\C=C CHEBI:77504 [0,0,1,0,0,0|1,0,0]=2 140 B7R0.1 CC\C=C\C=C\C=O CHEBI:132837 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.3 CCC(=O)\C=C\C=O CHEBI:76721 [0,0,1,0,0,0|3,0,0]=4 142 B9R2.50 c1ccc2c(c1)CC2 CHEBI:87328 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.1 c1c(nc[nH]1)CO CHEBI:28182 [0,0,0,0,1,0|2,0,0]=3 144 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [0,0,0,0,1,0|1,0,2]=4 145 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [0,0,0,0,1,0|1,0,2]=4 146 B7R1.1 c1cc(oc1)CO CHEBI:207496 [0,0,0,0,1,0|1,0,0]=2 147 B7R1.1 c1cc(oc1)CO CHEBI:53371 [0,0,0,0,1,0|1,0,0]=2 148 B7R1.1 c1cc(sc1)C=O CHEBI:87301 [0,0,0,0,1,0|1,0,2]=4 149 B7R1.1 c1cocc1C=O CHEBI:87609 [0,0,0,0,1,0|1,0,2]=4 150 B7R1.1 c1cscc1C=O CHEBI:87611 [0,0,0,0,1,0|1,0,2]=4 151 B6R0.1 C\C(=C\C=O)\CO CHEBI:133364 [1,0,1,0,0,0|1,0,1]=4 152 B6R0.4 C=C\C=C\C(=O)O CHEBI:35964 [1,0,1,0,0,0|1,0,0]=3 153 B6R0.4 C=C\C=C\C(=O)O CHEBI:37331 [1,0,1,0,0,0|1,0,0]=3 154 B6R0.4 C=C\C=C\C(=O)[O-] CHEBI:37322 [1,0,1,0,0,0|1,0,1]=4 155 B6R1.1 C1=CC#CC=C1 CHEBI:33668 [2,0,0,0,0,0|0,0,2]=4 156 B6R1.1 C1=COC=CO1 CHEBI:134044 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.1 C1C=CC=CO1 CHEBI:35592 [2,0,0,0,0,0|1,0,1]=4 158 B6R1.1 C1C=CCC=C1 CHEBI:37611 [2,0,0,0,0,0|0,0,2]=4 159 B6R1.1 C1C=COC=C1 CHEBI:35593 [2,0,0,0,0,0|1,0,1]=4 160 B6R1.1 C1CC=CC=C1 CHEBI:37610 [2,0,0,0,0,0|0,0,2]=4 161 B6R1.1 c1cc[o+]cc1 CHEBI:36120 [2,0,0,0,0,0|1,0,0]=3 162 B6R1.1 c1ccccc1 CHEBI:16716 [2,0,0,0,0,0|0,0,0]=2 163 B6R1.1 c1ccncc1 CHEBI:16227 [2,0,0,0,0,0|1,0,0]=3 164 B6R1.1 c1ccnnc1 CHEBI:30954 [2,0,0,0,0,0|2,0,0]=4 165 B6R1.1 c1cnccn1 CHEBI:30953 [2,0,0,0,0,0|2,0,0]=4 166 B6R1.1 c1cncnc1 CHEBI:16898 [2,0,0,0,0,0|2,0,0]=4 167 B8R0.7 C=C\C=C\C=C/C(=O)O CHEBI:50487 [0,1,1,0,0,0|0,0,1]=3 168 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50483 [0,1,1,0,0,0|0,0,1]=3 169 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50484 [0,1,1,0,0,0|0,0,1]=3 170 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [1,1,0,0,0,0|0,0,1]=3 171 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [1,1,0,0,0,0|0,0,1]=3 172 B8R1.3 C=C1C=CC(=N)C=C1 CHEBI:52416 [1,1,0,0,0,0|0,0,1]=3 173 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [1,1,0,0,0,0|0,0,1]=3 174 B8R1.3 C=c1ccc(=C)cc1 CHEBI:52410 [1,1,0,0,0,0|0,0,1]=3 175 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [1,1,0,0,0,0|0,0,0]=2 176 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [1,1,0,0,0,0|0,0,0]=2 177 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [1,1,0,0,0,0|0,0,0]=2 178 B8R1.3 c1cc(ccc1Br)Br CHEBI:37150 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.3 c1cc(ccc1Cl)Cl CHEBI:28618 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.3 c1cc(ccc1N)Cl CHEBI:20331 [1,1,0,0,0,0|1,0,0]=3 182 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [1,1,0,0,0,0|1,0,0]=3 183 B8R1.3 c1cc(ccc1N)N CHEBI:51403 [1,1,0,0,0,0|1,0,0]=3 184 B8R1.3 c1cc(ccc1N)O CHEBI:17602 [1,1,0,0,0,0|0,0,0]=2 185 B8R1.3 c1cc(ccc1O)Br CHEBI:47248 [1,1,0,0,0,0|0,0,0]=2 186 B8R1.3 c1cc(ccc1O)Cl CHEBI:28078 [1,1,0,0,0,0|0,0,0]=2 187 B8R1.3 c1cc(ccc1O)I CHEBI:43521 [1,1,0,0,0,0|0,0,0]=2 188 B8R1.3 c1cc(ccc1O)O CHEBI:17594 [1,1,0,0,0,0|0,0,0]=2 189 B8R1.3 c1cc(ccc1O)O CHEBI:26491 [1,1,0,0,0,0|0,0,0]=2 190 B8R1.3 c1cc(ccc1O)[O] CHEBI:17977 [1,1,0,0,0,0|0,0,0]=2 191 B8R1.3 c1cc(ncc1O)O CHEBI:16364 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.4 Cc1cccc(c1)C CHEBI:28488 [1,1,0,0,0,0|0,0,0]=2 193 B8R1.4 Cc1cccc(c1)O CHEBI:17231 [1,1,0,0,0,0|0,0,0]=2 194 B8R1.4 Cc1cccc(n1)C CHEBI:32548 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.4 c1c(cncc1Br)Br CHEBI:51593 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.4 c1cc(cc(c1)Br)Br CHEBI:37151 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.4 c1cc(cc(c1)Cl)Cl CHEBI:36693 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.4 c1cc(cc(c1)Cl)O CHEBI:38855 [1,1,0,0,0,0|0,0,0]=2 199 B8R1.4 c1cc(cc(c1)F)F CHEBI:38584 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.4 c1cc(cc(c1)F)N CHEBI:27873 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.4 c1cc(cc(c1)I)O CHEBI:33439 [1,1,0,0,0,0|0,0,0]=2 202 B8R1.4 c1cc(cc(c1)N)N CHEBI:8092 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.4 c1cc(cc(c1)O)N CHEBI:28924 [1,1,0,0,0,0|0,0,0]=2 204 B8R1.4 c1cc(cc(c1)O)O CHEBI:27810 [1,1,0,0,0,0|0,0,0]=2 205 B8R1.4 c1cc(nc(c1)O)O CHEBI:17681 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.4 c1cnc(cc1N)N CHEBI:51599 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 c1cnc(nc1O)N CHEBI:55502 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 C1=CC(=N)C(=O)C=C1 CHEBI:55409 [1,1,0,0,0,0|0,0,1]=3 209 B8R1.5 C1=CC(=O)C(=O)C=C1 CHEBI:17253 [1,1,0,0,0,0|0,0,1]=3 210 B8R1.5 C1=CC(C(C=C1)O)O CHEBI:18887 [1,1,0,0,0,0|0,0,2]=4 211 B8R1.5 C1=C[C@@H]([C@H](C=C1)O)O CHEBI:12855 [1,1,0,0,0,0|0,0,2]=4 212 B8R1.5 C1=C[C@H]([C@@H](C=C1)O)O CHEBI:10702 [1,1,0,0,0,0|0,0,2]=4 213 B8R1.5 C1=C[C@H]([C@H](C=C1)O)O CHEBI:16190 [1,1,0,0,0,0|0,0,2]=4 214 B8R1.5 C=C1C=CC=CC1=N CHEBI:52415 [1,1,0,0,0,0|0,0,1]=3 215 B8R1.5 C=C1C=CC=CC1=O CHEBI:52409 [1,1,0,0,0,0|0,0,1]=3 216 B8R1.5 C=c1ccccc1=C CHEBI:52411 [1,1,0,0,0,0|0,0,1]=3 217 B8R1.5 Cc1cccc[n+]1[O-] CHEBI:35578 [1,1,0,0,0,0|1,0,0]=3 218 B8R1.5 Cc1ccccc1C CHEBI:28063 [1,1,0,0,0,0|0,0,0]=2 219 B8R1.5 Cc1ccccc1I CHEBI:39813 [1,1,0,0,0,0|0,0,0]=2 220 B8R1.5 Cc1ccccc1N CHEBI:66892 [1,1,0,0,0,0|0,0,0]=2 221 B8R1.5 Cc1ccccc1O CHEBI:28054 [1,1,0,0,0,0|0,0,0]=2 222 B8R1.5 c1c[nH]cc(c1=O)O CHEBI:28630 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.5 c1cc(c(nc1)O)O CHEBI:131454 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.5 c1cc[n+](c(c1)S)[O-] CHEBI:36584 [1,1,0,0,0,0|1,0,1]=4 225 B8R1.5 c1ccc(c(c1)Br)Br CHEBI:37152 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.5 c1ccc(c(c1)Cl)Cl CHEBI:35290 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.5 c1ccc(c(c1)F)F CHEBI:38583 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.5 c1ccc(c(c1)N)F CHEBI:27526 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.5 c1ccc(c(c1)N)N CHEBI:34043 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.5 c1ccc(c(c1)N)O CHEBI:18112 [1,1,0,0,0,0|0,0,0]=2 231 B8R1.5 c1ccc(c(c1)N)S CHEBI:91019 [1,1,0,0,0,0|0,1,0]=3 232 B8R1.5 c1ccc(c(c1)O)Cl CHEBI:47083 [1,1,0,0,0,0|0,0,0]=2 233 B8R1.5 c1ccc(c(c1)O)I CHEBI:16706 [1,1,0,0,0,0|0,0,0]=2 234 B8R1.5 c1ccc(c(c1)O)O CHEBI:18135 [1,1,0,0,0,0|0,0,0]=2 235 B8R1.5 c1ccc(c(c1)O)[O-] CHEBI:50524 [1,1,0,0,0,0|0,0,0]=2 236 B8R1.5 c1ccc(c(c1)[O-])[O-] CHEBI:32402 [1,1,0,0,0,0|0,0,1]=3 237 B8R1.5 c1ccn(c(=S)c1)O CHEBI:36578 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.5 c1cncc(c1I)N CHEBI:132363 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.5 c1cncc(c1O)O CHEBI:29053 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.5 c1cocc(c1=O)Br CHEBI:52506 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [0,1,0,0,1,0|1,0,1]=4 242 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [0,1,0,0,1,0|1,0,1]=4 243 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [0,1,0,0,1,0|1,0,1]=4 244 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [0,1,0,0,1,0|1,0,1]=4 245 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [0,1,0,0,1,0|1,0,1]=4 246 B8R1.8 c1c(scn1)CCO CHEBI:82687 [0,1,0,0,1,0|2,0,0]=4 247 B8R1.8 c1cc(sc1)CC#N CHEBI:27382 [0,1,0,0,1,0|2,0,0]=4 248 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [0,2,0,0,0,0|1,0,0]=3 249 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [0,2,0,0,0,0|1,0,0]=3 250 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [0,2,0,0,0,0|0,0,0]=2 251 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [0,2,0,0,0,0|1,0,1]=4 252 B10R1.1 Cc1ccc(cc1)N=C=O CHEBI:53732 [0,2,0,0,0,0|0,0,2]=4 253 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [0,2,0,0,0,0|1,0,0]=3 254 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [0,2,0,0,0,0|1,0,0]=3 255 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [0,2,0,0,0,0|0,0,1]=3 256 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [0,2,0,0,0,0|1,0,0]=3 257 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [0,2,0,0,0,0|0,0,0]=2 258 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [0,2,0,0,0,0|1,0,0]=3 259 B10R1.3 COc1ccc(cc1)CN CHEBI:49837 [0,2,0,0,0,0|1,0,0]=3 260 B10R1.3 c1cc(ccc1CO)NN CHEBI:16131 [0,2,0,0,0,0|0,0,0]=2 261 B10R1.13 B(c1ccc(cc1)F)(O)O CHEBI:48661 [0,2,0,0,0,0|1,0,0]=3 262 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,2,0,0,0,0|0,0,2]=4 263 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [0,2,0,0,0,0|0,0,0]=2 265 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,2,0,0,0,0|1,0,1]=4 267 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,2,0,0,0,0|0,0,1]=3 268 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,2,0,0,0,0|0,0,2]=4 269 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [0,2,0,0,0,0|1,0,0]=3 270 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [0,2,0,0,0,0|1,0,1]=4 271 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,2,0,0,0,0|0,0,2]=4 272 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,2,0,0,0,0|0,0,1]=3 273 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,2,0,0,0,0|0,0,1]=3 274 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,2,0,0,0,0|0,0,1]=3 275 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,2,0,0,0,0|0,0,1]=3 276 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,2,0,0,0,0|0,0,1]=3 277 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,2,0,0,0,0|0,0,1]=3 278 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,2,0,0,0,0|0,0,2]=4 279 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,2,0,0,0,0|0,0,2]=4 280 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,2,0,0,0,0|0,0,2]=4 281 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,2,0,0,0,0|0,0,2]=4 282 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,2,0,0,0,0|0,0,2]=4 283 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,2,0,0,0,0|0,0,2]=4 284 B10R1.13 c1cc(ccc1N)[As](O)O CHEBI:50022 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [0,2,0,0,0,0|1,0,1]=4 286 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [0,2,0,0,0,0|1,0,1]=4 287 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [0,2,0,0,0,0|1,0,1]=4 288 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,2,0,0,0,0|1,0,1]=4 289 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,2,0,0,0,0|1,0,1]=4 290 B10R1.25 Cc1cc(ccc1SC)O CHEBI:38681 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.25 Cc1ncc(c(n1)N)CO CHEBI:16892 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)CO CHEBI:16964 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.25 c1c(c(nc(=O)[nH]1)N)CO CHEBI:76792 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.25 c1cc(c(cc1Cl)Cl)CO CHEBI:48220 [0,2,0,0,0,0|0,0,0]=2 295 B10R1.25 c1cc(c(cc1O)O)C=O CHEBI:50198 [0,2,0,0,0,0|0,0,2]=4 296 B10R1.176 c1c(occ(c1=O)O)CO CHEBI:43572 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.176 c1cc(c(cc1C=O)N)O CHEBI:78237 [0,2,0,0,0,0|0,0,2]=4 298 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [0,2,0,0,0,0|0,0,2]=4 299 B10R1.2 CCc1cccc(c1O)O CHEBI:16572 [0,2,0,0,0,0|1,0,0]=3 300 B10R1.2 COc1cccc(c1O)I CHEBI:31084 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.2 Cc1cccc(c1O)C=O CHEBI:20110 [0,2,0,0,0,0|0,0,2]=4 302 B10R1.2 c1cc(c(c(c1)F)F)CO CHEBI:41883 [0,2,0,0,0,0|0,0,0]=2 303 B10R1.2 c1cc(c(c(c1)O)O)C=O CHEBI:50197 [0,2,0,0,0,0|0,0,2]=4 304 B10R1.8 c1c(cc(cc1O)O)C=O CHEBI:50204 [0,2,0,0,0,0|0,0,2]=4 305 B10R1.30 c1cc(c(cc1N)C=O)O CHEBI:20550 [0,2,0,0,0,0|0,0,2]=4 306 B10R1.30 c1cc(c(cc1O)C=O)O CHEBI:28508 [0,2,0,0,0,0|0,0,2]=4 307 B10R1.113 C[n+]1cccc(c1)C(=O)O CHEBI:50521 [0,2,0,0,0,0|1,0,1]=4 308 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [0,2,0,0,0,0|0,0,1]=3 309 B10R1.113 Cc1cccc(c1)C(=O)[O-] CHEBI:28795 [0,2,0,0,0,0|0,0,2]=4 310 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] CHEBI:39931 [0,2,0,0,0,0|1,0,1]=4 311 B10R1.113 c1c(cncc1N)C(=O)O CHEBI:68578 [0,2,0,0,0,0|1,0,1]=4 312 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,2,0,0,0,0|0,0,1]=3 313 B10R1.113 c1cc(cc(c1)Cl)C(=O)[O-] CHEBI:19984 [0,2,0,0,0,0|0,0,2]=4 314 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [0,2,0,0,0,0|0,0,1]=3 315 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] CHEBI:28665 [0,2,0,0,0,0|0,0,2]=4 316 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] CHEBI:67123 [0,2,0,0,0,0|1,0,1]=4 317 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [0,2,0,0,0,0|0,0,2]=4 318 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [0,2,0,0,0,0|0,0,1]=3 319 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] CHEBI:30761 [0,2,0,0,0,0|0,0,2]=4 320 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [0,2,0,0,0,0|0,0,1]=3 321 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] CHEBI:16193 [0,2,0,0,0,0|0,0,2]=4 322 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] CHEBI:34346 [0,2,0,0,0,0|1,0,1]=4 323 B10R1.113 c1cc(cc(c1)[As](O)O)N CHEBI:50023 [0,2,0,0,0,0|1,0,0]=3 324 B10R1.172 c1cc(cc(c1)C#N)C#N CHEBI:38218 [0,2,0,0,0,0|1,0,1]=4 325 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [0,2,0,0,0,0|1,0,0]=3 327 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [0,2,0,0,0,0|1,0,0]=3 328 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,2,0,0,0,0|0,0,1]=3 330 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,2,0,0,0,0|0,0,2]=4 331 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,2,0,0,0,0|1,0,0]=3 332 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,2,0,0,0,0|0,0,0]=2 333 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,2,0,0,0,0|0,0,2]=4 334 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [0,2,0,0,0,0|0,0,0]=2 336 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [0,2,0,0,0,0|0,0,0]=2 337 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [0,2,0,0,0,0|0,0,0]=2 338 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [0,2,0,0,0,0|0,0,0]=2 339 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [0,2,0,0,0,0|0,0,0]=2 340 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,2,0,0,0,0|0,0,1]=3 341 B10R1.28 CC(C)(c1ccccc1)O CHEBI:131607 [0,2,0,0,0,0|0,0,0]=2 342 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [0,2,0,0,0,0|1,0,1]=4 343 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85062 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85318 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.28 c1ccc(cc1)C(F)(F)F CHEBI:36810 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.28 c1ccc(cc1)S(=O)(=O)O CHEBI:64455 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] CHEBI:64457 [0,2,0,0,0,0|1,0,1]=4 348 B10R1.28 c1ccc(cc1)[As](=O)(O)O CHEBI:29851 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.28 c1ccc(cc1)[As](=O)(O)[O-] CHEBI:64449 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,2,0,0,0,0|0,0,2]=4 351 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [0,2,0,0,0,0|1,0,0]=3 352 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [0,2,0,0,0,0|0,0,1]=3 353 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [0,2,0,0,0,0|0,0,1]=3 354 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [0,2,0,0,0,0|0,0,2]=4 355 B10R1.61 Cc1ccccc1[N+](=O)[O-] CHEBI:33098 [0,2,0,0,0,0|1,0,1]=4 356 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [0,2,0,0,0,0|1,0,1]=4 357 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [0,2,0,0,0,0|1,0,1]=4 358 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [0,2,0,0,0,0|0,0,2]=4 359 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,2,0,0,0,0|0,0,2]=4 360 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [0,2,0,0,0,0|0,0,1]=3 361 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [0,2,0,0,0,0|0,0,1]=3 362 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [0,2,0,0,0,0|0,0,1]=3 363 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [0,2,0,0,0,0|0,0,1]=3 364 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [0,2,0,0,0,0|0,0,1]=3 365 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [0,2,0,0,0,0|0,0,1]=3 366 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [0,2,0,0,0,0|0,0,2]=4 367 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [0,2,0,0,0,0|0,0,2]=4 368 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [0,2,0,0,0,0|0,0,2]=4 369 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [0,2,0,0,0,0|0,0,2]=4 370 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [0,2,0,0,0,0|0,0,2]=4 371 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [0,2,0,0,0,0|0,0,2]=4 372 B10R1.61 c1ccc(c(c1)C(=S)S)O CHEBI:37999 [0,2,0,0,0,0|0,1,1]=4 373 B10R1.61 c1ccc(c(c1)N)[As](O)O CHEBI:50024 [0,2,0,0,0,0|1,0,0]=3 374 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O CHEBI:16260 [0,2,0,0,0,0|1,0,1]=4 375 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])[O-] CHEBI:57703 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [0,2,0,0,0,0|1,0,1]=4 377 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [0,2,0,0,0,0|1,0,0]=3 378 B10R1.4 C[n+]1ccccc1\C=N\O CHEBI:32038 [0,2,0,0,0,0|1,0,1]=4 379 B10R1.4 C[n+]1ccccc1\C=N\O CHEBI:50240 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.4 C[n+]1ccccc1\C=N\O CHEBI:8354 [0,2,0,0,0,0|1,0,1]=4 381 B10R1.4 C[n+]1ccccc1\C=N\O CHEBI:8355 [0,2,0,0,0,0|1,0,1]=4 382 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.4 Cc1ccccc1N=C=O CHEBI:60099 [0,2,0,0,0,0|0,0,2]=4 384 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [0,2,0,0,0,0|0,0,0]=2 385 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [0,2,0,0,0,0|1,0,0]=3 386 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [0,2,0,0,0,0|1,0,0]=3 388 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [0,2,0,0,0,0|0,1,0]=3 389 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [0,2,0,0,0,0|0,0,1]=3 390 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [0,2,0,0,0,0|0,1,0]=3 391 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [0,2,0,0,0,0|0,0,0]=2 392 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [0,2,0,0,0,0|0,0,0]=2 393 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [0,2,0,0,0,0|0,0,0]=2 394 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [0,2,0,0,0,0|0,0,0]=2 395 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [0,2,0,0,0,0|0,0,0]=2 396 B10R1.17 c1ccc(cc1)\C=C\C=O CHEBI:16731 [0,2,0,0,0,0|0,0,2]=4 397 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [0,2,0,0,0,0|0,0,0]=2 398 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [0,2,0,0,0,0|0,0,0]=2 399 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [0,2,0,0,0,0|1,0,1]=4 400 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [0,2,0,0,0,0|0,0,1]=3 401 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [0,2,0,0,0,0|0,0,2]=4 402 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [0,2,0,0,0,0|0,0,2]=4 403 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [0,2,0,0,0,0|1,0,0]=3 405 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [0,2,0,0,0,0|1,0,0]=3 408 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [0,2,0,0,0,0|0,0,2]=4 410 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [0,2,0,0,0,0|0,0,1]=3 412 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [0,2,0,0,0,0|0,0,0]=2 413 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [0,2,0,0,0,0|0,0,1]=3 414 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [0,2,0,0,0,0|0,0,1]=3 415 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [0,2,0,0,0,0|0,1,1]=4 416 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [0,2,0,0,0,0|1,0,0]=3 417 B10R1.20 COc1ccccc1OC CHEBI:59114 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.20 c1ccc(c(c1)C=O)C=O CHEBI:70851 [0,2,0,0,0,0|0,0,2]=4 419 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl CHEBI:943 [0,2,0,0,0,0|1,0,1]=4 420 B10R1.245 c1cc(c(c(c1)O)C=O)O CHEBI:50206 [0,2,0,0,0,0|0,0,2]=4 421 B8R1.49 C/1=C/C=C\C=C/C=C1 CHEBI:47034 [0,0,1,1,0,0|1,0,1]=4 422 B8R1.49 C1\C=C/C=C\C=C/C1 CHEBI:37891 [0,0,1,1,0,0|1,0,0]=3 423 B8R1.49 C\1\C=C/C=C\C\C=C1 CHEBI:37892 [0,0,1,1,0,0|1,0,1]=4 424 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [0,1,0,1,0,0|0,0,0]=2 425 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [0,1,0,1,0,0|0,0,0]=2 426 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [0,1,0,1,0,0|0,0,0]=2 427 B10R2.7 c1cc2c(nc1)nco2 CHEBI:38581 [0,1,0,1,0,0|1,0,1]=4 428 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [0,1,0,1,0,0|1,0,0]=3 429 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [0,1,0,1,0,0|1,0,0]=3 430 B10R2.7 c1ccc2c(c1)C=C[CH]2 CHEBI:33053 [0,1,0,1,0,0|1,0,1]=4 431 B10R2.7 c1ccc2c(c1)C=C[C]2 CHEBI:33052 [0,1,0,1,0,0|1,0,1]=4 432 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [0,1,0,1,0,0|1,0,0]=3 433 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [0,1,0,1,0,0|1,0,0]=3 434 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [0,1,0,1,0,0|1,0,0]=3 435 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [0,1,0,1,0,0|1,0,0]=3 436 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [0,1,0,1,0,0|0,0,0]=2 437 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [0,1,0,1,0,0|1,0,0]=3 438 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [0,1,0,1,0,0|0,0,0]=2 439 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [0,1,0,1,0,0|0,0,0]=2 440 B10R2.7 c1ccc2c(c1)[n-]cn2 CHEBI:33173 [0,1,0,1,0,0|1,0,1]=4 441 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [0,1,0,1,0,0|1,0,1]=4 442 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [0,1,0,1,0,0|2,0,0]=4 443 B10R2.7 c1ccc2c(c1)c[nH]n2 CHEBI:36670 [0,1,0,1,0,0|1,0,1]=4 444 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [0,1,0,1,0,0|1,0,1]=4 445 B10R2.7 c1ccc2c(c1)cco2 CHEBI:35260 [0,1,0,1,0,0|0,0,1]=3 446 B10R2.7 c1ccc2c(c1)ccs2 CHEBI:35858 [0,1,0,1,0,0|0,1,1]=4 447 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [0,1,0,1,0,0|1,0,1]=4 448 B10R2.7 c1ccc2c(c1)cno2 CHEBI:51554 [0,1,0,1,0,0|0,0,1]=3 449 B10R2.7 c1ccc2c(c1)con2 CHEBI:51555 [0,1,0,1,0,0|0,0,1]=3 450 B10R2.7 c1ccc2c(c1)nco2 CHEBI:38814 [0,1,0,1,0,0|0,0,1]=3 451 B10R2.7 c1ccc2c(c1)ncs2 CHEBI:45993 [0,1,0,1,0,0|0,1,1]=4 452 B10R2.7 c1ccc2c[nH]cc2c1 CHEBI:33179 [0,1,0,1,0,0|1,0,1]=4 453 B10R2.7 c1ccc2cocc2c1 CHEBI:35261 [0,1,0,1,0,0|0,0,1]=3 454 B10R2.7 c1ccc2cscc2c1 CHEBI:36953 [0,1,0,1,0,0|0,1,1]=4 455 B6R1.2 C=C1C=CC=C1 CHEBI:51999 [1,0,0,0,1,0|0,0,1]=3 456 B6R1.2 Cc1c[nH]cn1 CHEBI:40035 [1,0,0,0,1,0|2,0,0]=4 457 B6R1.2 Cc1c[nH]nc1 CHEBI:5141 [1,0,0,0,1,0|2,0,0]=4 458 B6R1.2 Cc1cccs1 CHEBI:35849 [1,0,0,0,1,0|1,0,0]=3 459 B6R1.2 Cc1ccsc1 CHEBI:37992 [1,0,0,0,1,0|1,0,0]=3 460 B6R1.2 Cc1cscn1 CHEBI:35626 [1,0,0,0,1,0|2,0,0]=4 461 B6R1.2 Cn1cccn1 CHEBI:59025 [1,0,0,0,1,0|2,0,0]=4 462 B6R1.2 Cn1ccnc1 CHEBI:113454 [1,0,0,0,1,0|2,0,0]=4 463 B6R1.2 c1ccs(=O)c1 CHEBI:36603 [1,0,0,0,1,0|1,0,1]=4