0 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 T8026 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [0,0,0,0,0,0|0,0,4]=4 6 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [0,0,0,0,0,0|0,0,4]=4 7 B10R1.13 C[C@@H]1CC[C@H](C=C1)C(C)=C T13935 [0,0,0,0,0,0|0,0,4]=4 8 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 NC(=S)c1ccncc1 T1365 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,0|3,0,0]=4 35 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,1,0,0,0,0|0,0,3]=4 44 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|0,0,2]=3 45 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.21 CC(=C)[C@@H]1CC=C(C)C(=O)C1 TN1468 [0,1,0,0,0,0|0,0,3]=4 51 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,1,0,0,0,0|0,0,2]=3 54 B11R1.21 CC1=CC[C@@H](CC1=O)C(=C)C T3245 [0,1,0,0,0,0|0,0,3]=4 55 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,1,0,0,0,0|0,0,2]=3 72 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|3,0,0]=4 78 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [0,0,1,0,0,0|0,0,2]=3 79 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [0,0,1,0,0,0|0,0,2]=3 80 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,0,1,0|2,0,0]=3 81 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,0,0,0,0,1|1,0,0]=2 82 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,1|2,0,0]=3 83 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,1|2,0,0]=3 84 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.20 NC(Nc1ccc(cc1)Cl)=N T21703 [0,0,0,0,0,1|3,0,0]=4 86 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,1|3,0,0]=4 87 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,0,0,0,0,1|1,0,2]=4 88 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,1]=4 89 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,0]=3 90 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,1]=4 91 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.3 COc1ccc(CO)cc1 T20309 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.15 COC(=O)c1cccnc1 T5562 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.15 COC(c1ncccc1)=O T22220 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.61 NC(=O)c1ccccc1O T0004 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 OC(=O)c1ccccc1I T20881 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.61 OC(=O)c1ccccc1O T0649 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.61 OC(=O)c1ccccc1O T27597 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.61 Oc1ccccc1C(S)=S T31535 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|0,0,0]=2 128 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,1,0,0,0,1|2,0,0]=4 142 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [0,1,0,0,0,1|2,0,0]=4 143 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [0,1,0,0,0,1|2,0,0]=4 144 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,1,0,0,0,1|1,0,0]=3 145 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,1,0,0,0,1|1,0,1]=4 146 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,1,0,0,0,1|1,0,1]=4 147 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,1|2,0,0]=4 149 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.48 COc1ccc(cc1O)C(C)=O T10112 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.48 COc1ccc(cc1O)C(O)=O T5767 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.113 CCOc1ccc(cc1)C(O)=O T20455 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.256 CC(=O)c1ccc(cc1)S(C)=O T8870 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.256 CC(C)c1ccc(cc1)C(O)=O T20488 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.126 Cc1ccc(c(O)c1)C(C)(C)O TN5868 [0,2,0,0,0,0|0,0,2]=4 159 B12R1.56 COc1cc(ccc1O)C(C)=O T6391 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O T4088 [0,2,0,0,0,0|0,0,2]=4 161 B12R1.232 CC(C)c1cc(Cl)c(C)cc1O T20242 [0,2,0,0,0,0|0,0,2]=4 162 B12R1.367 COC(=O)c1cc(O)c(O)cc1 T1368 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.1005 Cc1c(O)cc(cc1O)C(O)=O TN1239 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.57 COc1cc(C)ccc1C(C)C TN6884 [0,2,0,0,0,0|0,0,2]=4 171 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.1000 CC(=O)c1c([O-])cc(C)oc1=O T22427 [0,2,0,0,0,0|2,0,0]=4 173 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,0,0,1,0,1|2,0,0]=4 174 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,1,0|2,0,0]=4 176 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,1,0|1,0,1]=4 177 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,1,0|2,0,0]=4 178 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|1,0,0]=3 179 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,1|1,0,0]=3 180 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,1|1,0,1]=4 181 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,1|1,0,1]=4 182 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,2|2,0,0]=4 183 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,0,0,0,0,2|1,0,0]=3 184 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,0,0,0,0,2|2,0,0]=4 185 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,0,0,0,0,2|2,0,0]=4