0 B8R1.2 COc1cnccn1 TN6755 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 NCc1ccccc1 TN3497 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 NCc1cccnc1 T1581 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.2 O=Cc1ccccc1 TWO2659 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 OCc1ccccc1 T0732 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 OCc1ccccn1 T1112 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 OCc1cccnc1 T1299 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 Cc1ccccn1 T21323 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.3 Clc1cnccn1 T2193 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.3 Nc1nccnn1 T8826 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.3 O=c1cccc[nH]1 T4805 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.1 COc1ccc(F)cc1 T0528 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.1 Clc1cnc(cn1)C#N T3507 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.1 NCc1ccc(O)cc1 T21095 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.1 NNc1ccc(Cl)cc1 T3167 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.1 OCc1ccc(O)cc1 T3752 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.1 OCc1ccc(cn1)O T40502 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.1 Oc1ccc(C=C)cc1 T13509 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.2 CCc1cccc(N)c1 T21169 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.2 CCc1cccc(O)c1 T21170 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.2 COc1cccc(Br)c1 T21218 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.2 COc1cccc(C)c1 T21278 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.2 COc1cccc(O)c1 T20294 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.2 ClCc1cccc(Cl)c1 T21091 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.2 Fc1cccc(C=O)c1 T21180 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.2 Fc1cccc(CCl)c1 T21179 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [0,1,0,0,0,0|1,0,1]=3 33 B9R1.2 OCc1cccc(I)c1 T21214 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.2 Oc1cccc(C=O)c1 T4778 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.6 CC(=O)c1ccccc1 T7446 [0,1,0,0,0,0|1,0,1]=3 37 B9R1.6 CC(=O)c1cnccn1 T5596 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.6 NC(=N)c1ccccc1 T8362 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.6 NC(=O)c1ccccc1 T6780 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.6 NC(=O)c1cccnc1 T0934 [0,1,0,0,0,0|1,0,1]=3 42 B9R1.6 NC(=O)c1cnccn1 T1426 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.6 OB(O)c1ccccc1 T30355 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.6 OC(=O)c1ccccc1 T0833 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.6 OC(=O)c1cccnc1 T0879 [0,1,0,0,0,0|1,0,1]=3 46 B9R1.6 OC(=O)c1cnccn1 T0569 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.6 OP(=O)c1ccccc1 T20416 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.8 CCOc1ccccc1 T19753 [0,1,0,0,0,0|1,0,0]=2 50 B9R1.8 CNCc1ccccc1 T8016 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.8 NCCc1ccccc1 T2935 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.8 NCCc1ccccc1 T7433 [0,1,0,0,0,0|1,0,0]=2 53 B9R1.8 NCCc1ccccn1 T22501 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.8 O/N=C/c1ccccc1 T20350 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.8 O=CCc1ccccc1 TCS1857 [0,1,0,0,0,0|1,0,1]=3 56 B9R1.8 OCCc1ccccc1 T0011 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.8 OCCc1ccccn1 T0658 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.15 COc1ccccc1O T1301 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.15 NCc1ccccc1O T41358 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.15 OCc1ccccc1O T0311 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.1 COc1ccoc1 TN2959 [0,0,0,0,1,0|2,0,0]=3 62 B6R0.6 CCC/C=C/C=O T8099 [1,0,1,0,0,0|1,0,1]=4 63 B6R1.1 C1=CC=CC=C1 T12445 [2,0,0,0,0,0|1,0,0]=3 64 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.3 Cc1cnc(C)cn1 T4801 [1,1,0,0,0,0|1,0,0]=3 66 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,1,0,0,0,0|1,0,0]=3 68 B8R1.4 Cc1cccc(O)c1 T33229 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.4 Cc1cccc([O-])c1 T33983 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.4 Fc1cccc(Br)c1 T30352 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.4 Fc1cccc(I)c1 T21183 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.4 Fc1cccc(S)c1 T21187 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.4 Ic1cccc(I)c1 T21145 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.4 Oc1cccc(I)c1 T21200 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.5 Cc1ncccc1O T5901 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.5 Nc1ccccc1I T20285 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.5 Nc1ccncc1N T4497 [1,1,0,0,0,0|1,0,0]=3 78 B8R1.5 Nc1ccncc1N T4497L [1,1,0,0,0,0|1,0,0]=3 79 B8R1.5 Nc1ncccc1O T7923 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.5 Oc1coccc1=O TL0015 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,1,0,0,1,0|0,0,2]=4 82 B8R1.7 CC(=O)c1cccs1 T29331 [0,1,0,0,1,0|1,0,1]=4 83 B8R1.7 CC(=O)c1nccs1 T8042 [0,1,0,0,1,0|1,0,1]=4 84 B8R1.8 NCCC1=CSC=N1 T29422 [0,1,0,0,1,0|1,0,0]=3 85 B8R1.8 NCCc1c[nH]cn1 T0965 [0,1,0,0,1,0|1,0,0]=3 86 B8R1.8 NCCc1c[nH]cn1 T6535 [0,1,0,0,1,0|1,0,0]=3 87 B8R1.8 NCCc1cc[nH]n1 T8599 [0,1,0,0,1,0|1,0,0]=3 88 B8R1.8 NCCc1cnc[nH]1 T6534 [0,1,0,0,1,0|1,0,0]=3 89 B8R1.11 CSc1nccn1C T8612 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [0,2,0,0,0,0|1,0,1]=4 94 B10R1.1 c1cc(ccc1CCN)O T3095 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.3 COc1ccc(CO)cc1 T20309 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,2,0,0,0,0|1,0,1]=4 98 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,2,0,0,0,0|1,0,1]=4 99 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.25 CCc1ccc(C)cc1O T29345 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.25 CSc1ccc(C)cc1O T33232 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.25 Nc1nc(=O)[nH]cc1CO T35363 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.2 CCc1occc(=O)c1O T5566 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.2 COc1cccc(Cl)c1Cl T1358 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.8 CCc1cc(C)cc(O)c1 T29396 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.10 CCOc1cccc(O)c1 T20297 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.10 Cc1cccc(CC#N)c1 T33456 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.10 NCCc1cccc(O)c1 T11937 [0,2,0,0,0,0|1,0,0]=3 114 B10R1.10 NCCc1cccc(O)c1 T11937L [0,2,0,0,0,0|1,0,0]=3 115 B10R1.10 NNCc1cccc(O)c1 T29406 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.30 CCc1nc(C)ccc1O T7875 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.30 CCc1nc(C)ccc1O T8624 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.30 COc1cc(C)ccc1O T20446 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.30 COc1cc(N)ccc1O T21072 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,2,0,0,0,0|1,0,1]=4 121 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,2,0,0,0,0|1,0,1]=4 122 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,2,0,0,0,0|1,0,0]=3 124 B10R1.113 CN(C)c1cccc(C)c1 T21088 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,2,0,0,0,0|1,0,0]=3 126 B10R1.172 CCc1cccc(C=O)c1 T21173 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.15 CC(NN)c1ccccc1 T33268 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,2,0,0,0,0|1,0,1]=4 130 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,2,0,0,0,0|0,0,1]=3 131 B10R1.15 COC(=O)c1cccnc1 T5562 [0,2,0,0,0,0|0,0,1]=3 132 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [0,2,0,0,0,0|1,0,1]=4 133 B10R1.15 NCC(O)c1ccccc1 T4873 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,2,0,0,0,0|1,0,1]=4 135 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,2,0,0,0,0|1,0,1]=4 136 B10R1.15 OCC(O)c1ccccc1 T1346 [0,2,0,0,0,0|1,0,0]=3 137 B10R1.61 CC(=O)c1ccccc1C T36788 [0,2,0,0,0,0|1,0,1]=4 138 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,2,0,0,0,0|1,0,1]=4 139 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,2,0,0,0,0|1,0,1]=4 140 B10R1.4 CCOc1ccccc1Br T20308 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.4 CSCc1ccccc1O T33357 [0,2,0,0,0,0|1,0,0]=3 142 B10R1.4 Oc1ccccc1CC=C T20472 [0,2,0,0,0,0|1,0,1]=4 143 B10R1.17 CCOCc1ccccc1 T36790 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.17 CNCCc1ccccn1 T0246 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.17 CNCCc1ccccn1 T0246L [0,2,0,0,0,0|2,0,0]=4 146 B10R1.17 CNCCc1ccccn1 T4195 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.17 NNCCc1ccccc1 T12441 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.17 NNCCc1ccccc1 T50010 [0,2,0,0,0,0|1,0,0]=3 149 B10R1.17 O=CCCc1ccccc1 T20312 [0,2,0,0,0,0|1,0,0]=3 150 B10R1.17 OC/C=C/c1ccccc1 TN2982 [0,2,0,0,0,0|1,0,1]=4 151 B10R1.17 OCC=Cc1ccccc1 T5S1550 [0,2,0,0,0,0|1,0,1]=4 152 B10R1.17 OCCCc1ccccc1 T3754 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.17 OCCOc1ccccc1 T20293 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.17 S=C=NCc1ccccc1 T1082 [0,2,0,0,0,0|1,0,1]=4 155 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,2,0,0,0,0|0,0,1]=3 156 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.18 CC(=S)Nc1ccccc1 T20263 [0,2,0,0,0,0|1,0,1]=4 158 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,2,0,0,0,0|1,0,0]=3 159 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,2,0,0,0,0|0,0,1]=3 161 B10R1.20 COc1ccccc1CN T1372 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.20 COc1ccccc1OC T20326 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.245 COc1c(C)cccc1O T29355 [0,2,0,0,0,0|2,0,0]=4 164 B10R2.7 C1Cc2ccccc2O1 Fr14127 [0,1,0,1,0,0|1,0,0]=3 165 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,0,1,0|0,0,1]=3 166 B6R1.2 Cc1cn[nH]c1 T0765 [1,0,0,0,1,0|1,0,0]=3 167 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,1,0|1,0,0]=3 168 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,1,0|2,0,0]=4