0 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CC(NN)c1ccccc1 T33268 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 NNC(=O)c1ccccn1 T1374 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 NC(=S)c1ccncc1 T1365 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 28 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [0,1,0,0,0,0|0,0,2]=3 35 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.23 CN(N=O)c1cccc(Cl)c1 T30065 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.23 CN(N=O)c1cccc(F)c1 T30066 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.23 NNC(=O)c1cccc(O)c1 T21202 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.23 OC(C#N)c1cccc(O)c1 T33176 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,0,0|2,0,1]=4 61 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,0,0,1,0,0|0,0,2]=3 62 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,0|2,0,1]=4 63 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|0,0,0]=1 64 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|0,0,0]=1 65 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,0,0,0,1|1,0,2]=4 66 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,0,0,0,0,1|1,0,0]=2 67 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,0]=2 68 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 70 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.28 NS(=O)(=O)c1ccccc1 T6781 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.61 NC(=O)c1ccccc1O T0004 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.4 CCOc1ccccc1Br T20308 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|0,0,2]=4 104 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|0,0,0]=2 105 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|0,0,0]=2 106 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 110 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|0,0,0]=2 112 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|0,0,0]=2 120 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|0,0,0]=2 121 B12R1.32 CN(CC#C)Cc1ccccc1 T0300 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.32 CN(CC#C)Cc1ccccc1 T1578 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,1,0,0,0,1|1,0,0]=3 125 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.10 CC[N+](C)(C)c1cccc(O)c1 T5855 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.253 CC(C)(C(N)=O)c1ccccc1 T32110 [0,2,0,0,0,0|0,0,1]=3 128 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [0,2,0,0,0,0|0,0,1]=3 129 B12R1.478 CCC(C(O)=O)c1ccccc1 T0631 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.17 CNCC(O)c1cccc(O)c1 T0453L [0,2,0,0,0,0|1,0,0]=3 133 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T17310 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T13655 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T20173 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.367 OCC(c1ccc(c(c1)O)O)O TQ0281 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.225 CC(C(O)=O)c1cccc(O)c1 T29313 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.225 CC(N)C(C)c1cccc(Cl)c1 T33976 [0,2,0,0,0,0|0,0,0]=2 147 B12R1.225 CC(N)C(O)c1cccc(O)c1 T0279L2 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279L [0,2,0,0,0,0|1,0,0]=3 150 B12R1.225 OC(C(Cl)Cl)c1cccc(Cl)c1 T30419 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,2,0,0,0,0|0,0,0]=2 152 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,0]=3 153 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|0,0,2]=4 154 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,0,0,1,0,1|1,0,0]=3 155 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [0,1,0,1,0,0|0,0,2]=4 156 B12R2.1 OCc1c[nH]c2ccccc12 T2947 [0,1,0,1,0,0|0,0,2]=4 157 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.8 NCCC1=CSC=N1 T29422 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.8 NCCc1c[nH]cn1 T0965 [1,0,0,0,1,0|2,0,0]=4 160 B8R1.8 NCCc1c[nH]cn1 T6535 [1,0,0,0,1,0|2,0,0]=4 161 B8R1.8 NCCc1cc[nH]n1 T8599 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.8 NCCc1cnc[nH]1 T6534 [1,0,0,0,1,0|2,0,0]=4