0 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:35340 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:6809 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 C[C@@H](Cc1ccccc1)[NH2+]C CHEBI:132297 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 c1ccc(cc1)C\C(=N\O)\S CHEBI:17520 [0,0,0,0,0,0|2,1,0]=3 4 B11R1.40 c1ccc(cc1)C\C(=N\O)\[S-] CHEBI:58176 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 c1ccc(cc1)\C=C\C=O CHEBI:16731 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,0,0,0,0,0|0,0,0]=1 20 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,0,0,0,0,0|0,0,0]=1 32 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,0,0,0,0,0|0,0,1]=2 33 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [1,0,0,0,0,0|2,1,0]=4 35 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.32 CCNC(=O)Cc1ccccc1 CHEBI:4737 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.34 CC(=NC)[C@@H](c1ccccc1)O CHEBI:16825 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.34 CN(C(=O)c1ccccc1)OC CHEBI:59742 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.34 COC(=O)C(=O)c1ccccc1 CHEBI:84256 [0,1,0,0,0,0|0,0,1]=2 40 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC CHEBI:15407 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C CHEBI:57295 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:51209 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:8604 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)[NH2+]C CHEBI:132296 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O CHEBI:30851 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] CHEBI:18005 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.50 CCC(=O)Oc1cccc(c1)O CHEBI:65228 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.50 Cc1cccc(c1)OC(=O)NC CHEBI:38537 [0,1,0,0,0,0|2,0,0]=3 51 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [0,0,0,1,0,0|2,0,1]=4 52 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [0,0,0,1,0,0|2,0,0]=3 53 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.24 c1ccc2c(c1)CCC(=O)O2 CHEBI:16151 [0,0,0,1,0,0|2,0,0]=3 56 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [0,0,0,1,0,0|2,0,1]=4 57 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [0,0,0,1,0,0|2,0,1]=4 58 B12R2.32 CSc1nc2ccccc2s1 CHEBI:1217 [0,0,0,1,0,0|1,2,0]=4 59 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,0,0,0,1,0|1,0,0]=2 60 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [0,0,0,0,1,0|2,0,1]=4 61 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [0,0,0,0,1,0|2,0,1]=4 62 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [0,0,0,0,1,0|2,0,1]=4 63 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,0,0,0,1,0|2,0,0]=3 64 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,0,0,0,1,0|0,0,0]=1 65 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,0,0,0,1,0|2,0,0]=3 66 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,0,0,0,1,0|2,0,0]=3 67 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,0,0,0,1,0|2,0,0]=3 68 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,0,0,0,1,0|2,0,0]=3 69 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,0,0,0,1,0|3,0,0]=4 70 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [0,0,0,0,1,0|3,0,0]=4 71 B9R1.8 CCCc1ccccc1 CHEBI:42630 [2,0,0,0,0,0|0,0,1]=3 72 B9R1.8 CCOc1ccccc1 CHEBI:67129 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [2,0,0,0,0,0|1,0,1]=4 74 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [2,0,0,0,0,0|0,0,0]=2 75 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [2,0,0,0,0,0|1,0,1]=4 76 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [2,0,0,0,0,0|0,0,1]=3 77 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [2,0,0,0,0,0|1,0,1]=4 78 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [2,0,0,0,0,0|1,0,1]=4 79 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.1 CNCCc1ccc(cc1)O CHEBI:17458 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.1 C[NH2+]CCc1ccc(cc1)O CHEBI:58155 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.1 c1cc(ccc1C\C=N/O)O CHEBI:15667 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15665 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15666 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.16 CNCC(c1ccccc1)O CHEBI:16913 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [1,1,0,0,0,0|0,0,2]=4 87 B11R1.16 C[NH2+]CC(c1ccccc1)O CHEBI:57946 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.17 CCSCc1ccccc1O CHEBI:38487 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.28 c1ccc(cc1)CCOC=O CHEBI:87417 [1,1,0,0,0,0|0,0,2]=4 90 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CHEBI:29132 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [1,1,0,0,0,0|0,0,0]=2 99 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [1,1,0,0,0,0|0,0,1]=3 101 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [1,1,0,0,0,0|0,0,1]=3 102 B11R1.36 CC(=O)C(=O)c1ccccc1 CHEBI:63552 [1,1,0,0,0,0|0,0,1]=3 103 B11R1.36 CC(c1ccccc1)C(=O)O CHEBI:48526 [1,1,0,0,0,0|0,0,0]=2 104 B11R1.36 C[C@@H](c1ccccc1)C(=O)O CHEBI:48527 [1,1,0,0,0,0|0,0,0]=2 105 B11R1.36 C[C@H](c1ccccc1)C(=O)O CHEBI:43035 [1,1,0,0,0,0|0,0,0]=2 106 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [1,1,0,0,0,0|0,0,1]=3 107 B11R1.36 c1ccc(cc1)C(=O)C(=O)[O-] CHEBI:36656 [1,1,0,0,0,0|0,0,2]=4 108 B11R1.36 c1ccc(cc1)C(C(=O)O)N CHEBI:55484 [1,1,0,0,0,0|0,0,0]=2 109 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [1,1,0,0,0,0|0,0,0]=2 110 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [1,1,0,0,0,0|0,0,1]=3 111 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N CHEBI:439819 [1,1,0,0,0,0|0,0,0]=2 112 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [1,1,0,0,0,0|0,0,0]=2 113 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [1,1,0,0,0,0|0,0,1]=3 114 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N CHEBI:44962 [1,1,0,0,0,0|0,0,0]=2 116 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [1,1,0,0,0,0|0,0,1]=3 118 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])[NH3+] CHEBI:77399 [1,1,0,0,0,0|0,0,1]=3 119 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [1,1,0,0,0,0|0,0,0]=2 120 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [1,1,0,0,0,0|0,0,1]=3 121 B11R1.157 CC(=O)Nc1cccc(c1)O CHEBI:76987 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.157 CC(=O)Oc1cccc(c1)O CHEBI:29672 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.157 Cc1cccc(c1)CC(=O)O CHEBI:88356 [1,1,0,0,0,0|0,0,0]=2 124 B11R1.157 c1cc(cc(c1)O)CC(=O)O CHEBI:17445 [1,1,0,0,0,0|0,0,0]=2 125 B11R1.157 c1cc(cc(c1)O)CC(=O)[O-] CHEBI:58149 [1,1,0,0,0,0|0,0,1]=3 126 B11R1.509 CC(C)(Cc1ccccc1)N CHEBI:8080 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.509 CC(C)(Cc1ccccc1)[NH3+] CHEBI:50506 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.509 CC(C)(Cc1ccccc1)[NH3+] CHEBI:50508 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.509 CS(=Nc1ccccc1)(=O)C CHEBI:47831 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.509 c1ccc(cc1)CS(=O)(=O)F CHEBI:8102 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.509 c1ccc(cc1)NS(=O)(=O)O CHEBI:61691 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.509 c1ccc(cc1)OP(=O)(O)O CHEBI:37548 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.509 c1ccc(cc1)OS(=O)(=O)O CHEBI:27905 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,1,0|1,0,0]=3 135 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,1,0,0,1,0|0,0,0]=2 136 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,1,0,0,1,0|1,0,0]=3 137 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,1,0,0,1,0|2,0,0]=4 138 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [0,1,0,0,1,0|1,0,0]=3 139 B11R1.222 COC(=O)c1ccccc1N CHEBI:73244 [0,1,0,0,1,0|0,0,0]=2 140 B11R1.222 COC(=O)c1ccccc1O CHEBI:31832 [0,1,0,0,1,0|0,0,0]=2 141 B11R1.222 c1ccc(c(c1)C(=O)NO)O CHEBI:45615 [0,1,0,0,1,0|2,0,0]=4 142 B13R1.15 COC(=O)\C=C\c1cccc(c1)O CHEBI:131393 [0,1,0,0,0,1|0,0,1]=3 143 B13R1.42 c1ccc(cc1)CCC(=O)CCO CHEBI:66037 [0,1,0,0,0,1|1,0,0]=3 144 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N CHEBI:49339 [0,1,0,0,0,1|0,0,0]=2 145 B13R1.417 CN\C(=N/C)\NCc1ccccc1 CHEBI:37937 [0,1,0,0,0,1|2,0,0]=4 146 B13R1.417 CN\C(=[NH+]/C)\NCc1ccccc1 CHEBI:31279 [0,1,0,0,0,1|2,0,0]=4 147 B13R1.44 c1ccc(cc1)CC(=O)NCC=O CHEBI:60542 [0,2,0,0,0,0|1,0,0]=3 148 B13R1.47 CCOC(=O)C(=O)c1ccccc1 CHEBI:84260 [0,2,0,0,0,0|0,0,1]=3 149 B13R1.47 CCOC(=O)C(c1ccccc1)O CHEBI:38750 [0,2,0,0,0,0|0,0,0]=2 150 B13R1.47 CCOC(=O)[C@@H](c1ccccc1)O CHEBI:78406 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.47 CCOC(=O)[C@H](c1ccccc1)O CHEBI:78405 [0,2,0,0,0,0|0,0,0]=2 152 B13R1.152 C[C@@H](c1ccccc1)C(=O)C(=O)O CHEBI:74122 [0,2,0,0,0,0|2,0,0]=4 153 B13R1.152 C[C@@H](c1ccccc1)C(=O)C(=O)[O-] CHEBI:74119 [0,2,0,0,0,0|2,0,0]=4 154 B13R1.152 c1ccc(cc1)[C@@H](C(=O)C(=O)O)O CHEBI:73985 [0,2,0,0,0,0|2,0,0]=4 155 B13R1.152 c1ccc(cc1)[C@@H](C(=O)C(=O)[O-])O CHEBI:73948 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Cl CHEBI:38214 [0,2,0,0,0,0|2,0,0]=4 157 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O CHEBI:15999 [0,2,0,0,0,0|2,0,0]=4 158 B13R1.133 c1cc(ccc1CC(=O)C(=O)[O-])O CHEBI:36242 [0,2,0,0,0,0|2,0,0]=4 159 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O CHEBI:43980 [0,2,0,0,0,0|1,0,1]=4 160 B13R1.418 C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] CHEBI:61883 [0,2,0,0,0,0|1,0,1]=4 161 B13R1.418 c1ccc(cc1)C\C(=N\O)\C(=O)O CHEBI:131386 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Cl CHEBI:83466 [0,2,0,0,0,0|2,0,0]=4 163 B13R1.2879 Cc1ccc(cc1C)OC(=O)NC CHEBI:35048 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.2874 Cc1cc(cc(c1)OC(=O)NC)C CHEBI:38571 [0,2,0,0,0,0|2,0,0]=4 165 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [1,0,0,1,0,0|2,0,0]=4 166 B11R2.20 c1ccc2c(c1)CC=CC2 CHEBI:38143 [1,0,0,1,0,0|1,0,0]=3 167 B11R2.20 c1ccc2c(c1)CC=CO2 CHEBI:35603 [1,0,0,1,0,0|2,0,0]=4 168 B11R2.20 c1ccc2c(c1)CCC=C2 CHEBI:38142 [1,0,0,1,0,0|1,0,1]=4 169 B11R2.20 c1ccc2c(c1)CCCC2 CHEBI:35008 [1,0,0,1,0,0|1,0,1]=4 170 B11R2.20 c1ccc2c(c1)CCOC2 CHEBI:33225 [1,0,0,1,0,0|0,0,1]=3 171 B11R2.20 c1ccc2c(c1)COC=C2 CHEBI:36115 [1,0,0,1,0,0|0,0,1]=3 172 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [1,0,0,1,0,0|1,0,1]=4 173 B11R2.10 Cc1nc2ccccc2o1 CHEBI:51603 [1,0,0,1,0,0|1,0,1]=4 174 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 CHEBI:38580 [1,0,0,1,0,0|2,0,0]=4 175 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [1,0,0,1,0,0|1,0,1]=4 176 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [1,0,0,1,0,0|0,0,0]=2 177 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [1,0,0,1,0,0|1,0,0]=3 178 B11R2.10 c1ccc2c(c1)nc(s2)O CHEBI:115196 [1,0,0,1,0,0|1,1,0]=4 179 B13R2.64 c1ccc(cc1)CC2=NCCN2 CHEBI:28502 [0,1,0,1,0,0|2,0,0]=4 180 B13R2.135 c1ccc2c(c1)CC(=O)C2C=O CHEBI:28779 [0,1,0,1,0,0|1,0,1]=4 181 B13R2.328 Cc1cc(=O)[nH]c2c1cccc2 CHEBI:48986 [0,1,0,1,0,0|2,0,0]=4 182 B13R2.3076 CC1=C(C1(C)c2ccccc2)C CHEBI:87342 [0,1,0,1,0,0|2,0,0]=4 183 B13R2.359 CC1(c2ccccc2NC1=O)O CHEBI:28254 [0,1,0,1,0,0|2,0,0]=4 184 B13R2.369 Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [1,0,0,0,1,0|1,0,1]=4 186 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [1,0,0,0,1,0|0,0,2]=4 187 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [1,0,0,0,1,0|1,0,0]=3 188 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [1,0,0,0,1,0|0,0,0]=2 189 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [1,0,0,0,1,0|1,0,1]=4 190 B9R1.6 CC(c1ccccc1)N CHEBI:670 [1,0,0,0,1,0|1,0,1]=4 191 B9R1.6 CC(c1ccccc1)O CHEBI:669 [1,0,0,0,1,0|0,0,2]=4 192 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [1,0,0,0,1,0|2,0,0]=4 193 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [1,0,0,0,1,0|2,0,0]=4 194 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [1,0,0,0,1,0|1,0,1]=4 195 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [1,0,0,0,1,0|0,0,2]=4 196 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [1,0,0,0,1,0|1,0,1]=4 197 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [1,0,0,0,1,0|0,0,2]=4 198 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [1,0,0,0,1,0|1,0,1]=4 199 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [1,0,0,0,1,0|2,0,0]=4 200 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [1,0,0,0,1,0|1,0,0]=3 201 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [1,0,0,0,1,0|1,0,1]=4 202 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [1,0,0,0,1,0|2,0,0]=4 203 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [1,0,0,0,1,0|1,0,0]=3 204 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [1,0,0,0,1,0|0,0,0]=2 205 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [1,0,0,0,1,0|0,0,1]=3 206 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [1,0,0,0,1,0|0,0,1]=3 207 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [1,0,0,0,1,0|1,0,0]=3 208 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [1,0,0,0,1,0|1,0,1]=4 209 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [1,0,0,0,1,0|1,0,1]=4 210 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [1,0,0,0,1,0|1,0,1]=4 211 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [1,0,0,0,1,0|2,0,0]=4 212 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [1,0,0,0,1,0|1,0,0]=3 213 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [1,0,0,0,1,0|1,0,1]=4 214 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [1,0,0,0,1,0|2,0,0]=4 215 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [1,0,0,0,1,0|2,0,0]=4 216 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [1,0,0,0,1,0|1,0,0]=3 217 B9R1.13 c1c([nH]cn1)CC(=O)O CHEBI:70804 [1,0,0,0,1,0|2,0,0]=4 218 B9R1.13 c1c(nc[nH]1)CC(=O)O CHEBI:16974 [1,0,0,0,1,0|2,0,0]=4 219 B9R1.13 c1cc(sc1)CC(=O)O CHEBI:45807 [1,0,0,0,1,0|1,0,0]=3 220 B9R1.13 c1cc(sc1)CC(=O)[O-] CHEBI:32403 [1,0,0,0,1,0|1,0,1]=4 221 B9R1.13 c1cn(cn1)CC(=O)O CHEBI:70801 [1,0,0,0,1,0|2,0,0]=4 222 B9R1.13 c1cnc([nH]1)CC(=O)O CHEBI:70806 [1,0,0,0,1,0|2,0,0]=4