0 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=S)Nc1ccccc1 T20263 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 NC(Nc1ccc(cc1)Cl)=N T21703 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.157 NC(=O)Nc1cccc(O)c1 T21201 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.509 FS(=O)(=O)Cc1ccccc1 T0789 [0,1,0,0,0,0|3,0,0]=4 43 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|0,0,0]=1 44 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|0,0,0]=1 45 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,1,0,0|2,0,1]=4 46 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,0|1,0,1]=3 47 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [0,0,0,1,0,0|2,0,1]=4 48 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,1,0|1,0,1]=3 51 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,1,0|1,0,0]=2 52 B9R1.6 NC(=N)c1ccccc1 T8362 [0,0,0,0,1,0|1,0,1]=3 53 B9R1.6 NC(=O)c1ccccc1 T6780 [0,0,0,0,1,0|1,0,1]=3 54 B9R1.6 NC(=O)c1ccccn1 T6942 [0,0,0,0,1,0|2,0,1]=4 55 B9R1.6 NC(=O)c1cccnc1 T0934 [0,0,0,0,1,0|2,0,1]=4 56 B9R1.6 NC(=O)c1ccncc1 T0552 [0,0,0,0,1,0|2,0,1]=4 57 B9R1.6 NC(=S)c1ccncc1 T1365 [0,0,0,0,1,0|2,0,1]=4 58 B9R1.6 OB(O)c1ccccc1 T30355 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.6 OC(=O)c1ccccc1 T0833 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.6 OP(=O)c1ccccc1 T20416 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,0,0,0,1,0|2,0,1]=4 62 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 T24698 [0,0,0,0,1,0|2,0,0]=3 63 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 T12630 [0,0,0,0,1,0|2,0,0]=3 64 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,0,1|1,0,2]=4 65 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,0,1|1,0,2]=4 66 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,0,1|1,0,1]=3 67 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,0,1|1,0,1]=3 68 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,1|1,0,1]=3 69 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,1|1,0,1]=3 70 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,0,0,0,0,1|2,0,1]=4 71 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,0,0,0,0,1|1,0,1]=3 72 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [0,0,0,0,0,1|2,0,1]=4 73 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,0,0,0,1|1,0,2]=4 74 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,0,0,0,1|1,0,2]=4 75 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,0,0,0,1|2,0,1]=4 76 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,0]=2 77 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 79 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.4 CCOc1ccccc1Br T20308 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|0,0,2]=4 92 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|0,0,0]=2 94 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|0,0,0]=2 104 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 106 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|0,0,1]=3 110 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,1,0|1,0,1]=4 116 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,1,0,0,1,0|1,0,1]=4 117 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,1,0,0,1,0|1,0,0]=3 118 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,1,0,0,1,0|1,0,1]=4 119 B10R1.28 NS(=O)(=O)c1ccccc1 T6781 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.61 CC(=O)c1ccccc1C T36788 [0,1,0,0,1,0|1,0,1]=4 121 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,1,0,0,1,0|1,0,1]=4 122 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,1,0,0,1,0|1,0,1]=4 123 B10R1.61 NC(=O)c1ccccc1O T0004 [0,1,0,0,1,0|1,0,1]=4 124 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,1,0,0,1,0|1,0,1]=4 125 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,1,0,0,1,0|1,0,1]=4 126 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,1,0,0,1,0|1,0,0]=3 128 B10R1.113 CN(C)c1cccc(C)c1 T21088 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,1,0,0,1,0|1,0,1]=4 130 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,1,0,0,1,0|1,0,1]=4 131 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,1,0|1,0,1]=4 132 B10R1.27 N[C@H](CO)Cc1c[nH]cn1 T4899 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,1|1,0,1]=4 134 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,1,0,0,0,1|1,0,1]=4 135 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,1,0,0,0,1|1,0,1]=4 136 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,1,0,0,0,1|1,0,0]=3 138 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,1,0,0,0,1|1,0,0]=3 139 B12R1.21 NC(=N)SCc1ccc(Cl)cc1 T24494 [0,1,0,0,0,1|1,0,1]=4 140 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,1,0,0,0,1|1,0,0]=3 141 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,1,0,0,0,1|1,0,1]=4 142 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,1,0,0,0,1|1,0,0]=3 143 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,0,1|1,0,1]=4 144 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,1,0,0,0,1|1,0,0]=3 145 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [0,1,0,0,0,1|1,0,1]=4 146 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [0,1,0,0,0,1|0,0,0]=2 147 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,1,0,0,0,1|1,0,0]=3 148 B12R1.226 FC(F)CNc1cccc(Cl)c1 T30064 [0,1,0,0,0,1|2,0,0]=4 149 B12R1.226 NC(=N)NCc1cccc([123I])c1 T32166 [0,1,0,0,0,1|1,0,1]=4 150 B12R1.226 NC(N)=NCc1cccc(I)c1 T15588L [0,1,0,0,0,1|1,0,1]=4 151 B12R1.226 NC(NCC1=CC=CC(I)=C1)=N T15588 [0,1,0,0,0,1|1,0,1]=4 152 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,2,0,0,0,0|0,0,0]=2 153 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,2,0,0,0,0|0,0,0]=2 154 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.106 CC(C)(N)Cc1ccc(Cl)cc1 T30901 [0,2,0,0,0,0|0,0,0]=2 156 B12R1.225 CC(N)C(C)c1cccc(Cl)c1 T33976 [0,2,0,0,0,0|0,0,0]=2 157 B12R1.225 CC(N)C(O)c1cccc(O)c1 T0279L2 [0,2,0,0,0,0|0,0,0]=2 158 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279 [0,2,0,0,0,0|0,0,0]=2 159 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279L [0,2,0,0,0,0|0,0,0]=2 160 B12R1.225 OC(C(Cl)Cl)c1cccc(Cl)c1 T30419 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.253 CC(C)(C(N)=O)c1ccccc1 T32110 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [0,2,0,0,0,0|1,0,1]=4 163 B12R1.564 CC(C)(C)C(=O)c1ccccc1 T20369 [0,2,0,0,0,0|1,0,1]=4 164 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,2,0,0,0,0|0,0,0]=2 165 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,2,0,0,0,0|1,0,1]=4 166 B12R1.32 CN(CC#C)Cc1ccccc1 T0300 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.32 CN(CC#C)Cc1ccccc1 T1578 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,2,0,0,0,0|0,0,0]=2 169 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,2,0,0,0,0|0,0,0]=2 170 B12R1.151 CC(C)(N)Cc1ccccc1Cl T30986 [0,2,0,0,0,0|0,0,0]=2 171 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,0]=3 172 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|0,0,2]=4 173 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,0,0,1,0,1|0,0,0]=2 174 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|1,0,1]=4 175 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,1,0,1,0,0|1,0,1]=4 176 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,1,0,1,0,0|1,0,1]=4 177 B12R2.18 C[C@H]1[C@@H](O)Cc2ccncc12 TN3378 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.8 NCCC1=CSC=N1 T29422 [1,0,0,0,1,0|2,0,0]=4 179 B8R1.8 NCCc1c[nH]cn1 T0965 [1,0,0,0,1,0|2,0,0]=4 180 B8R1.8 NCCc1c[nH]cn1 T6535 [1,0,0,0,1,0|2,0,0]=4 181 B8R1.8 NCCc1cc[nH]n1 T8599 [1,0,0,0,1,0|2,0,0]=4 182 B8R1.8 NCCc1cnc[nH]1 T6534 [1,0,0,0,1,0|2,0,0]=4 183 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,0,0,0,0,2|1,0,1]=4