0 B9R1.1 CCc1ccc(O)cc1 T5883 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.1 COc1ccc(F)cc1 T0528 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 COc1ccc(O)cc1 T0501 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.1 NCc1ccc(O)cc1 T21095 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.1 NNc1ccc(Cl)cc1 T3167 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.1 OCc1ccc(O)cc1 T3752 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.1 OCc1ccc(cn1)O T40502 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.1 Oc1ccc(C=C)cc1 T13509 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.2 NCc1ccccc1 TN3497 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.2 O=Cc1ccccc1 TWO2659 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.2 OCc1ccccc1 T0732 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,0|0,0,2]=3 18 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,0|0,0,2]=3 19 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|0,0,2]=3 20 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [0,1,0,0,0,0|0,0,2]=3 21 B10R1.1 c1cc(ccc1CCN)O T3095 [0,1,0,0,0,0|0,0,2]=3 22 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.3 COc1ccc(CO)cc1 T20309 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,1,0,0,0,0|0,0,1]=2 26 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,0|1,0,2]=4 37 B10R1.25 CSc1ccc(C)cc1O T33232 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.176 OCc1cc(=O)c(O)co1 T5889 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.176 Oc1ccc(C=O)cc1O T3018 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,0,0,0,1,0|3,0,0]=4 44 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,0,0,0,1,0|3,0,0]=4 45 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|1,0,1]=4 46 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,1]=4 47 B7R1.3 O=c1cccc[nH]1 T4805 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|0,0,2]=4 49 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|0,0,2]=4 50 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.2 COc1cccc(Br)c1 T21218 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.2 COc1cccc(C)c1 T21278 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.2 COc1cccc(O)c1 T20294 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.2 OCc1cccc(I)c1 T21214 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.6 CC(=O)c1ccccc1 T7446 [1,1,0,0,0,0|0,0,1]=3 62 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|0,0,2]=4 63 B9R1.6 NC(=N)c1ccccc1 T8362 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.6 NC(=O)c1ccccc1 T6780 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.6 NC(=O)c1ccccn1 T6942 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.6 NC(=O)c1cccnc1 T0934 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.6 NC(=O)c1ccncc1 T0552 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.6 NC(=S)c1ccncc1 T1365 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,1,0,0,0,0|2,0,0]=4 70 B9R1.6 OB(O)c1ccccc1 T30355 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.6 OC(=O)c1ccccc1 T0833 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.6 OC(=O)c1ccccn1 T4850 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.6 OC(=O)c1cccnc1 T0879 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.6 OP(=O)c1ccccc1 T20416 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.8 CCOc1ccccc1 T19753 [1,1,0,0,0,0|0,0,2]=4 79 B9R1.8 CNCc1ccccc1 T8016 [1,1,0,0,0,0|0,0,2]=4 80 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|0,0,2]=4 81 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|0,0,2]=4 82 B9R1.8 O/N=C/c1ccccc1 T20350 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.8 O=CCc1ccccc1 TCS1857 [1,1,0,0,0,0|0,0,1]=3 84 B9R1.8 OCCc1ccccc1 T0011 [1,1,0,0,0,0|0,0,2]=4 85 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.15 NCc1ccccc1O T41358 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.69 Cc1cc(O)ccc1N T21284 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.69 Cc1cc(ccc1O)O TN4871 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [1,1,0,0,0,0|1,0,1]=4 91 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,1,0,0,0,0|1,0,1]=4 92 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [1,1,0,0,0,0|0,0,1]=3 93 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,1,0,0,0,0|0,0,1]=3 94 B9R1.69 Nc1ccc(F)cc1O T1370 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [1,1,0,0,0,0|1,0,0]=3 96 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [0,2,0,0,0,0|0,0,2]=4 98 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,2,0,0,0,0|0,0,2]=4 99 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [0,2,0,0,0,0|0,0,0]=2 100 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,2,0,0,0,0|0,0,2]=4 101 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,2,0,0,0,0|0,0,1]=3 103 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,2,0,0,0,0|0,0,1]=3 104 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.20 NC(Nc1ccc(cc1)Cl)=N T21703 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,2,0,0,0,0|0,0,1]=3 107 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,2,0,0,0,0|0,0,1]=3 108 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,2,0,0,0,0|0,0,2]=4 109 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,2,0,0,0,0|0,0,1]=3 110 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|0,0,2]=4 113 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,2,0,0,0,0|0,0,0]=2 115 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,2,0,0,0,0|0,0,1]=3 116 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [0,2,0,0,0,0|0,0,2]=4 117 B11R1.83 COc1ccc(C=CC)cc1 T0014 [0,2,0,0,0,0|0,0,0]=2 118 B11R1.83 COc1ccc(CC=C)cc1 T5649 [0,2,0,0,0,0|0,0,0]=2 119 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [0,2,0,0,0,0|0,0,0]=2 120 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [0,2,0,0,0,0|0,0,2]=4 121 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|0,0,2]=4 122 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|0,0,2]=4 123 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [0,2,0,0,0,0|0,0,0]=2 124 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,2,0,0,0,0|0,0,2]=4 126 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,2,0,0,0,0|0,0,2]=4 131 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.279 COc1ccc(C=O)cc1O T3740 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,2,0,0,0,0|0,0,1]=3 135 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,2,0,0,0,0|0,0,2]=4 136 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [0,2,0,0,0,0|1,0,0]=3 139 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.21 Oc1ccc(cc1Cl)[N+]([O-])=O T9443 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,2,0,0,0,0|0,0,1]=3 144 B11R1.166 Cc1cc(O)ccc1[N+]([O-])=O T21283 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|1,0,0]=3 151 B11R1.37 COc1ccc(O)cc1OC T3745 [0,2,0,0,0,0|1,0,1]=4 152 B11R1.464 COc1c(O)cc(O)cc1O T19380 [0,2,0,0,0,0|1,0,1]=4 153 B11R1.464 Oc1cc(O)c(C=O)c(O)c1 TN1206 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.14 Oc1c(I)cc(cc1I)C#N T32186 [0,2,0,0,0,0|1,0,1]=4 155 B11R1.14 Oc1cc(C=O)cc(O)c1O T7972 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,2,0,0,0,0|0,0,2]=4 157 B11R1.280 COc1cc(C=C)ccc1O T8197 [0,2,0,0,0,0|0,0,0]=2 158 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.280 COc1cc(CN)ccc1O T1356 [0,2,0,0,0,0|1,0,1]=4 160 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|1,0,1]=4 161 B9R1.3 Cc1cccc(O)c1O T3742 [0,0,1,1,0,0|1,0,1]=4 162 B9R1.3 Oc1cccc(O)c1O T3749 [0,0,1,1,0,0|2,0,0]=4 163 B9R1.5 Oc1cccccc1=O T8087 [0,0,1,1,0,0|1,0,0]=3 164 B11R2.36 Brc1ccc2[nH]ccc2c1 T7473 [0,1,0,1,0,0|1,0,0]=3 165 B11R2.36 Oc1ccc2OCOc2c1 T3676 [0,1,0,1,0,0|1,0,1]=4 166 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [0,1,0,1,0,0|0,0,0]=2 167 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,0,0,0,1,0|1,0,1]=4