0 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [1,0,0,0,0,0|0,0,2]=3 19 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 CC(c1ccccc1)N CHEBI:670 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 CC(c1ccccc1)O CHEBI:669 [1,0,0,0,0,0|0,0,0]=1 23 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [1,0,0,0,0,0|0,0,0]=1 27 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,0,0,0,0,0|0,0,0]=1 44 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.7 CC(C)(c1ccccc1)OO CHEBI:78673 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.7 CC(CO)(c1ccccc1)O CHEBI:131360 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.12 c1ccc(cc1)\C(=N/O)\C#N CHEBI:38842 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.16 C=CCC(c1ccccc1)O CHEBI:131375 [0,1,0,0,0,0|0,0,1]=2 60 B11R1.16 CNCC(c1ccccc1)O CHEBI:16913 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,1,0,0,0,0|0,0,2]=3 62 B11R1.16 C[NH2+]CC(c1ccccc1)O CHEBI:57946 [0,1,0,0,0,0|0,0,0]=1 63 B11R1.16 c1ccc(cc1)C(=O)CC#N CHEBI:51855 [0,1,0,0,0,0|0,0,3]=4 64 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,0,0|0,0,2]=3 65 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.22 c1cc(ccc1C(C#N)O)O CHEBI:18115 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O CHEBI:16660 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.36 CC(=O)C(=O)c1ccccc1 CHEBI:63552 [0,1,0,0,0,0|0,0,3]=4 74 B11R1.36 CC(C(=O)c1ccccc1)N CHEBI:59332 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,1,0,0,0,0|0,0,2]=3 76 B11R1.36 CC(c1ccccc1)C(=O)O CHEBI:48526 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.36 C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [0,1,0,0,0,0|0,0,2]=3 78 B11R1.36 C[C@@H](c1ccccc1)C(=O)O CHEBI:48527 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 C[C@H](c1ccccc1)C(=O)O CHEBI:43035 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.36 c1ccc(cc1)C(C(=O)O)N CHEBI:55484 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N CHEBI:439819 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N CHEBI:44962 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])[NH3+] CHEBI:77399 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.222 CCC(C)c1ccccc1O CHEBI:34303 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.222 COC(=O)c1ccccc1N CHEBI:73244 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.222 COC(=O)c1ccccc1O CHEBI:31832 [0,1,0,0,0,0|1,0,2]=4 94 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [0,0,0,1,0,0|2,0,0]=3 95 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,0,0,1,0,0|1,0,2]=4 96 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,0,0,1,0,0|0,0,2]=3 97 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [0,0,0,1,0,0|0,0,0]=1 98 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [0,0,0,1,0,0|1,0,2]=4 99 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [0,0,0,1,0,0|1,0,2]=4 100 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,0,0,1,0,0|1,0,2]=4 101 B11R2.4 c1ccc(cc1)C2CC2N CHEBI:131512 [0,0,0,1,0,0|2,0,0]=3 102 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131510 [0,0,0,1,0,0|2,0,0]=3 103 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131514 [0,0,0,1,0,0|2,0,0]=3 104 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2[NH3+] CHEBI:131517 [0,0,0,1,0,0|2,0,0]=3 105 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131511 [0,0,0,1,0,0|2,0,0]=3 106 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131516 [0,0,0,1,0,0|2,0,0]=3 107 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] CHEBI:131520 [0,0,0,1,0,0|2,0,0]=3 108 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:35340 [0,0,0,0,0,1|2,0,0]=3 109 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:6809 [0,0,0,0,0,1|2,0,0]=3 110 B11R1.40 C[C@@H](Cc1ccccc1)[NH2+]C CHEBI:132297 [0,0,0,0,0,1|2,0,0]=3 111 B8R0.7 C=C\C=C\C=C/C(=O)O CHEBI:50487 [1,0,1,0,0,0|1,0,1]=4 112 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50483 [1,0,1,0,0,0|1,0,1]=4 113 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50484 [1,0,1,0,0,0|1,0,1]=4 114 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [2,0,0,0,0,0|0,0,2]=4 115 B8R1.2 CCc1ccccc1 CHEBI:16101 [2,0,0,0,0,0|0,0,0]=2 116 B8R1.2 CCc1cnccn1 CHEBI:73232 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.2 CNc1ccccc1 CHEBI:15733 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.2 COc1ccccc1 CHEBI:16579 [2,0,0,0,0,0|1,0,0]=3 119 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [2,0,0,0,0,0|1,0,1]=4 120 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [2,0,0,0,0,0|1,0,1]=4 122 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [2,0,0,0,0,0|0,0,2]=4 123 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [2,0,0,0,0,0|1,0,0]=3 124 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [2,0,0,0,0,0|1,0,0]=3 125 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [2,0,0,0,0,0|1,0,0]=3 126 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [2,0,0,0,0,0|0,0,0]=2 127 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [2,0,0,0,0,0|1,0,0]=3 128 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [2,0,0,0,0,0|1,0,1]=4 129 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [2,0,0,0,0,0|1,0,0]=3 131 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [2,0,0,0,0,0|1,0,0]=3 132 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [2,0,0,0,0,0|1,0,1]=4 133 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [2,0,0,0,0,0|2,0,0]=4 134 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.13 B(c1ccc(cc1)F)(O)O CHEBI:48661 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [1,1,0,0,0,0|0,0,2]=4 140 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [1,1,0,0,0,0|0,0,0]=2 142 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.13 c1cc(ccc1N)[As](O)O CHEBI:50022 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.28 CC(C)(c1ccccc1)O CHEBI:131607 [1,1,0,0,0,0|0,0,0]=2 154 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85062 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85318 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.28 c1ccc(cc1)C(F)(F)F CHEBI:36810 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.28 c1ccc(cc1)S(=O)(=O)O CHEBI:64455 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.28 c1ccc(cc1)[As](=O)(O)O CHEBI:29851 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.28 c1ccc(cc1)[As](=O)(O)[O-] CHEBI:64449 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.61 c1ccc(c(c1)N)[As](O)O CHEBI:50024 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.113 c1cc(cc(c1)[As](O)O)N CHEBI:50023 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [1,1,0,0,0,0|0,0,2]=4 179 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [1,1,0,0,0,0|0,0,2]=4 182 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [1,1,0,0,0,0|0,0,0]=2 192 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [1,1,0,0,0,0|0,0,1]=3 194 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,1,0,0,0,0|0,0,2]=4 202 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,1,0,0,0,0|0,0,2]=4 203 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,1,0,0,0,0|0,0,2]=4 204 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,1,0,0,0,0|0,0,1]=3 206 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [1,1,0,0,0,0|0,0,0]=2 209 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [1,1,0,0,0,0|0,0,0]=2 210 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [1,1,0,0,0,0|0,0,0]=2 211 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,1,0,0,0,0|0,0,0]=2 212 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,1,0,0,0,0|0,0,0]=2 213 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [1,1,0,0,0,0|0,0,0]=2 214 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.32 CCNC(=O)Cc1ccccc1 CHEBI:4737 [0,1,0,0,0,1|0,0,2]=4 218 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC CHEBI:15407 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C CHEBI:57295 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:51209 [0,1,0,0,0,1|2,0,0]=4 221 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:8604 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)[NH2+]C CHEBI:132296 [0,1,0,0,0,1|2,0,0]=4 223 B12R1.43 c1ccc(cc1)CC(C(=O)O)O CHEBI:25998 [0,1,0,0,0,1|1,0,1]=4 224 B12R1.43 c1ccc(cc1)CC(C(=O)[O-])O CHEBI:8100 [0,1,0,0,0,1|1,0,1]=4 225 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O CHEBI:43065 [0,1,0,0,0,1|1,0,1]=4 226 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])O CHEBI:32979 [0,1,0,0,0,1|1,0,1]=4 227 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O CHEBI:32978 [0,1,0,0,0,1|1,0,1]=4 228 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])O CHEBI:11009 [0,1,0,0,0,1|1,0,1]=4 229 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [0,1,0,0,0,1|2,0,0]=4 230 B12R1.50 CCC(=O)Oc1cccc(c1)O CHEBI:65228 [0,1,0,0,0,1|0,0,2]=4 231 B12R1.10 CC[N+](C)(C)c1cccc(c1)O CHEBI:251408 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.10 CC[N+](C)(C)c1cccc(c1)O CHEBI:4759 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.253 CC(c1ccccc1)(C(=O)O)O CHEBI:50392 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O CHEBI:40741 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.478 CCC(c1ccccc1)C(=O)O CHEBI:86545 [0,2,0,0,0,0|0,0,0]=2 236 B12R1.478 c1ccc(cc1)C(CO)C(=O)O CHEBI:30765 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.478 c1ccc(cc1)C(CO)C(=O)[O-] CHEBI:17000 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.478 c1ccc(cc1)[C@@H](CO)C(=O)O CHEBI:30766 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.478 c1ccc(cc1)[C@H](CO)C(=O)O CHEBI:30767 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.16 CCOC(=O)c1ccc(cc1)N CHEBI:116735 [0,2,0,0,0,0|0,0,2]=4 241 B12R1.16 CCOC(=O)c1ccc(cc1)O CHEBI:31575 [0,2,0,0,0,0|0,0,2]=4 242 B12R1.16 CNCC(c1ccc(cc1)O)O CHEBI:29081 [0,2,0,0,0,0|0,0,0]=2 243 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O CHEBI:119 [0,2,0,0,0,0|0,0,0]=2 244 B12R1.16 CNC[C@H](c1ccc(cc1)O)O CHEBI:33016 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.16 C[NH2+]CC(c1ccc(cc1)O)O CHEBI:58606 [0,2,0,0,0,0|0,0,0]=2 246 B12R1.16 C[NH2+]C[C@@H](c1ccc(cc1)O)O CHEBI:63694 [0,2,0,0,0,0|0,0,0]=2 247 B12R1.17 CCOC(=O)c1cccc(c1)N CHEBI:131331 [0,2,0,0,0,0|0,0,2]=4 248 B12R1.17 CCOC(=O)c1cccc(c1)N CHEBI:81494 [0,2,0,0,0,0|0,0,2]=4 249 B12R1.17 CCOC(=O)c1cccc(c1)[NH3+] CHEBI:131337 [0,2,0,0,0,0|0,0,2]=4 250 B12R1.17 CNC[C@@H](c1cccc(c1)O)O CHEBI:8093 [0,2,0,0,0,0|0,0,0]=2 251 B12R1.17 CNC[C@@H](c1cccc(c1)O)O CHEBI:8094 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.17 C[NH2+]C[C@@H](c1cccc(c1)O)O CHEBI:132294 [0,2,0,0,0,0|0,0,0]=2 253 B12R1.30 CCCCC(=O)c1ccccc1 CHEBI:36812 [0,2,0,0,0,0|0,0,2]=4 254 B12R1.30 CCCNC(=O)c1ccccc1 CHEBI:84270 [0,2,0,0,0,0|0,0,2]=4 255 B12R1.107 c1ccc(cc1)C(CC(=O)O)N CHEBI:68528 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.107 c1ccc(cc1)C(CC(=O)O)O CHEBI:19929 [0,2,0,0,0,0|0,0,1]=3 257 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])O CHEBI:63469 [0,2,0,0,0,0|0,0,1]=3 258 B12R1.107 c1ccc(cc1)C(CC(=O)[O-])[NH3+] CHEBI:68527 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N CHEBI:67172 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O CHEBI:51059 [0,2,0,0,0,0|0,0,1]=3 261 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)[O-])[NH3+] CHEBI:67158 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N CHEBI:68525 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O CHEBI:51058 [0,2,0,0,0,0|0,0,1]=3 264 B12R1.107 c1ccc(cc1)[C@H](CC(=O)[O-])[NH3+] CHEBI:68506 [0,2,0,0,0,0|1,0,1]=4 265 B12R1.308 c1ccc(c(c1)C(=O)CCN)N CHEBI:73472 [0,2,0,0,0,0|0,0,2]=4 266 B12R1.20 c1cc(ccc1C(C(=O)O)O)O CHEBI:16388 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.20 c1cc(ccc1C(C(=O)[O-])O)O CHEBI:32804 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O CHEBI:32802 [0,2,0,0,0,0|1,0,1]=4 269 B12R1.20 c1cc(ccc1[C@@H](C(=O)[O-])O)O CHEBI:17210 [0,2,0,0,0,0|1,0,1]=4 270 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)O CHEBI:32803 [0,2,0,0,0,0|1,0,1]=4 271 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])O)O CHEBI:27996 [0,2,0,0,0,0|1,0,1]=4 272 B12R1.367 c1cc(c(cc1C(C=O)O)O)O CHEBI:27852 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.367 c1cc(c(cc1C(CN)O)O)O CHEBI:33569 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.367 c1cc(c(cc1C(CO)O)O)O CHEBI:1387 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.367 c1cc(c(cc1[C@@H](CN)O)O)O CHEBI:33571 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O CHEBI:18357 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.367 c1cc(c(cc1[C@H](C[NH3+])O)O)O CHEBI:72587 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6794 [0,2,0,0,0,0|0,0,0]=2 279 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6795 [0,2,0,0,0,0|0,0,0]=2 280 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)O CHEBI:86553 [0,2,0,0,0,0|1,0,1]=4 281 B10R1.2 C=CC1=CC=CC(C1O)O CHEBI:51007 [0,0,1,1,0,0|1,0,0]=3 282 B10R1.2 C=CC1=CC=C[C@@H]([C@@H]1O)O CHEBI:51008 [0,0,1,1,0,0|1,0,0]=3 283 B10R1.2 C=CC1=CC=C[C@@H]([C@H]1O)O CHEBI:51012 [0,0,1,1,0,0|1,0,0]=3 284 B10R1.2 C=CC1=CC=C[C@H]([C@@H]1O)O CHEBI:51011 [0,0,1,1,0,0|1,0,0]=3 285 B10R1.2 C=CC1=CC=C[C@H]([C@H]1O)O CHEBI:26797 [0,0,1,1,0,0|1,0,0]=3 286 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [1,0,0,1,0,0|0,0,0]=2 287 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [1,0,0,1,0,0|0,0,0]=2 288 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [1,0,0,1,0,0|0,0,0]=2 289 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,1,0,0|0,0,2]=4 290 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,1,0,0|2,0,0]=4 291 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,1,0,0|0,0,2]=4 292 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,1,0,0|1,0,1]=4 293 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,1,0,0|0,0,0]=2 294 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,1,0,0|1,0,0]=3 295 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,1,0,0|1,0,0]=3 296 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,1,0,0|1,0,1]=4 297 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,1,0,0|2,0,0]=4 298 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [1,0,0,1,0,0|2,0,0]=4 299 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [0,0,0,1,0,1|0,0,2]=4 300 B12R2.24 c1ccc2c(c1)CCC(=O)O2 CHEBI:16151 [0,0,0,1,0,1|0,0,2]=4 301 B12R2.2 c1cc(cnc1)[C@@H]2CCCN2 CHEBI:28313 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.1081 CN1CCCc2c1cccc2 CHEBI:190941 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.1081 c1ccc2c(c1)CCOC2=O CHEBI:23745 [0,1,0,1,0,0|0,0,2]=4 304 B12R2.2028 c1ccc2c(c1)C(OC2=O)O CHEBI:495639 [0,1,0,1,0,0|1,0,1]=4 305 B12R2.612 B1(c2ccc(cc2CO1)F)O CHEBI:77942 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.196 Cc1cncc2c1CC[C@@H]2C CHEBI:2443 [0,1,0,1,0,0|2,0,0]=4 307 B12R1.27 c1ccc(cc1)NCC(CO)O CHEBI:53758 [0,0,0,0,0,2|1,0,0]=3