0 B10R1.4 CCOc1ccccc1Br T20308 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.4 CSCc1ccccc1O T33357 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 O/N=C/c1ccccc1O T20346 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 Oc1ccccc1CC=C T20472 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 NCc1ccccc1O T41358 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.13 Cc1cccc(CC=C)c1O T29470 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.13 Oc1cccc(CC=C)c1O T26596 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.81 Clc1ccc(CC#N)c(Cl)c1 T20375 [0,1,0,0,0,0|0,1,2]=4 20 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.182 Cc1ccc(O)c(CC=C)c1 T29333 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,0,0|2,0,1]=4 24 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.20 C1SSCc2ccccc12 T12696 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.33 Cc1[nH]cnc1CCN T50049 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.33 Cn1cncc1CCN T4940 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,0]=2 30 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.5 Cc1ncccc1O T5901 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.5 Nc1ccccc1I T20285 [2,0,0,0,0,0|0,1,0]=3 37 B8R1.5 Nc1ccncc1N T4497 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.5 Nc1ccncc1N T4497L [2,0,0,0,0,0|2,0,0]=4 39 B8R1.5 Nc1ncccc1O T7923 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|0,0,2]=4 47 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|0,0,0]=2 49 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 59 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.2 CCc1occc(=O)c1O T5566 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.2 COc1cccc(Cl)c1Cl T1358 [1,1,0,0,0,0|1,1,0]=4 72 B10R1.20 COc1ccccc1CN T1372 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.20 COc1ccccc1OC T20326 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.30 CCc1nc(C)ccc1O T7875 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.30 CCc1nc(C)ccc1O T8624 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.30 COc1cc(C)ccc1O T20446 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.30 COc1cc(N)ccc1O T21072 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|0,1,1]=4 82 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.61 NC(=O)c1ccccc1O T0004 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.245 COc1c(C)cccc1O T29355 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.187 NCCN1C(=O)C=CC1=O T15972 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.69 CCCCc1ccc(C)cc1O T33233 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.69 Nc1ccc(OCCO)c(N)c1 T5672 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.121 COc1ccccc1OCCN T1698 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [0,2,0,0,0,0|0,1,0]=3 91 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.267 CCCCCc1ccccc1O T33809 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.169 NCCc1ccccc1CC=C T25047 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.233 NC(=N)Nc1ccc(F)cc1F T50030 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352L [0,2,0,0,0,0|1,0,0]=3 98 B12R1.151 CC(C)(N)Cc1ccccc1Cl T30986 [0,2,0,0,0,0|0,1,0]=3 99 B10R1.113 NC1CC(=CC=C1)C(O)=O T24080 [0,0,1,1,0,0|2,0,0]=4 100 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,0]=3 101 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|0,0,2]=4 102 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.221 Oc1ccc(Cl)c2CCCc12 T1253 [0,1,0,1,0,0|1,1,0]=4 108 B8R1.8 NCCC1=CSC=N1 T29422 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.8 NCCc1c[nH]cn1 T0965 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.8 NCCc1c[nH]cn1 T6535 [1,0,0,0,1,0|2,0,0]=4 111 B8R1.8 NCCc1cc[nH]n1 T8599 [1,0,0,0,1,0|2,0,0]=4 112 B8R1.8 NCCc1cnc[nH]1 T6534 [1,0,0,0,1,0|2,0,0]=4