0 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 c1cc(ccc1CCN)O T3095 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.1 OCc1ccc(cn1)O T40502 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|0,0,2]=3 22 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.20 NC(Nc1ccc(cc1)Cl)=N T21703 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.81 Cc1ccc(c(c1)C)N=C=S T35213 [0,1,0,0,0,0|1,1,1]=4 38 B11R1.81 Clc1ccc(CC#N)c(Cl)c1 T20375 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.83 COc1ccc(C=CC)cc1 T0014 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.83 COc1ccc(CC=C)cc1 T5649 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.192 NOCc1ccc(Br)c(O)c1 T23822 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [0,1,0,0,0,0|2,0,0]=3 48 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 53 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,1]=3 54 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,1]=4 55 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,1]=4 56 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.3 COc1ccc(CO)cc1 T20309 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|0,0,1]=3 72 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|1,0,1]=4 82 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,1,0,0,0,0|0,0,1]=3 88 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,1,0,0,0,0|0,0,1]=3 95 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|0,1,1]=4 101 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,1,0,0,0,0|1,1,0]=4 104 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,2,0,0,0,0|0,0,1]=3 112 B12R1.21 NC(=N)SCc1ccc(Cl)cc1 T24494 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.69 CCCCc1ccc(C)cc1O T33233 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.71 COc1ccc(/C=C/CO)cc1 TN3049 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [0,2,0,0,0,0|0,0,1]=3 125 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,2,0,0,0,0|0,0,0]=2 126 B12R1.4 CSc1ccc(CC(N)=O)nc1 T29373 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.19 OC(=O)Cc1ccc(O)c(Cl)c1 T21277 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.106 CC1=CC=C(OS(=O)(O)=O)C=C1 T21977 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.106 Cc1ccc(OS([O-])(=O)=O)cc1 T19498 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.286 COc1cc(CC=C)ccc1O T1297 [0,2,0,0,0,0|2,0,0]=4 141 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|0,0,2]=4 142 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|1,0,1]=4 143 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,1,0,1,0,0|2,0,0]=4 146 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.100 Cc1cc2nc[nH]c2cc1C T4824 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,1,0|1,0,0]=3 149 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,1,0|1,0,0]=3