0 B11R1.12 CCC(CC)C1=NC=CC=C1 5008AL [0,0,0,0,0,0|3,0,0]=3 1 B11R1.12 CCC(CN)C1=CC=CC=C1 V4239 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.12 CCC(NC)C1=CC=CC=C1 8595AL [0,0,0,0,0,0|2,0,0]=2 3 B11R1.12 CCC(NN)C1=CC=CC=C1 8342AH [0,0,0,0,0,0|3,0,0]=3 4 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 3045AC [0,0,0,0,0,0|3,0,0]=3 5 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [1,0,0,0,0,0|1,0,1]=3 7 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [1,0,0,0,0,0|1,0,1]=3 8 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [1,0,0,0,0,0|2,0,0]=3 9 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,0,0,0,0,0|2,0,0]=3 10 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [1,0,0,0,0,0|3,0,0]=4 11 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [1,0,0,0,0,0|3,0,0]=4 12 B10R1.15 CN(N=O)C1=CC=CC=C1 8617AL [1,0,0,0,0,0|3,0,0]=4 13 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [1,0,0,0,0,0|2,0,0]=3 14 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [1,0,0,0,0,0|2,0,1]=4 15 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [1,0,0,0,0,0|3,0,0]=4 16 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,0,0,0,0,0|3,0,0]=4 17 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [1,0,0,0,0,0|3,0,0]=4 18 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [1,0,0,0,0,0|3,0,0]=4 19 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [1,0,0,0,0,0|3,0,0]=4 20 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [1,0,0,0,0,0|3,0,0]=4 21 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.3 CCN(CCCl)C1=CC=CC=C1 P899 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 1422AA [0,1,0,0,0,0|3,0,0]=4 25 B12R1.13 COC(OC)C1=CC(N)=NC=C1 Y4571 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.243 CCN(CC)C1=C(Cl)C=CC=C1 5580AL [0,1,0,0,0,0|3,0,0]=4 27 B12R1.243 CCN(CC)C1=C(N)C=CC=C1 6418AD [0,1,0,0,0,0|3,0,0]=4 28 B12R1.475 C#CC(O)(CC)C1=CC=CC=C1 2475AL [0,1,0,0,0,0|2,0,1]=4 29 B12R1.475 CCC(N)(CC)C1=CC=CC=C1 X8702 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,1,0,0,0,0|3,0,0]=4 31 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 7562AH [0,1,0,0,0,0|3,0,0]=4 32 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [0,0,0,1,0,0|2,0,0]=3 33 B12R2.1 COC1=NNC2=CC=CC=C21 9664AA [0,0,0,1,0,0|2,0,1]=4 34 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z4520 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.1 NCC1CCC2=C1C=CC=C2 8443AH [0,0,0,1,0,0|3,0,0]=4 36 B12R2.2 C1=CC(C2CCCN2)=CC=N1 Q676 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [0,0,0,1,0,0|2,0,0]=3 38 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 9247AJ [0,0,0,1,0,0|2,0,0]=3 39 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [0,0,0,1,0,0|2,0,0]=3 40 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [0,0,0,1,0,0|3,0,0]=4 41 B12R2.48 NCC1(C2=CC=CC=C2)CC1 V9282 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.48 OCC1(C2=CC=CC=C2)CC1 1029AL [0,0,0,1,0,0|3,0,0]=4 43 B10R1.9 COC(OC)C1=NC=CN1 2202AA [0,0,0,0,1,0|2,0,0]=3 44 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,0,0,0,0,1|2,0,0]=3 45 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 CN(C)C1=CC=NC=C1 6487AL [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [2,0,0,0,0,0|1,0,0]=3 49 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 C[C@H](N)C1=CC=NC=C1 4830AJ [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 CNCC1=CC=CC=C1 3855AD [2,0,0,0,0,0|1,0,0]=3 56 B9R1.8 CNCC1=CC=CC=N1 7146AD [2,0,0,0,0,0|2,0,0]=4 57 B9R1.8 CNNC1=CC=CC=C1 V2456 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [2,0,0,0,0,0|1,0,1]=4 59 B9R1.8 NOCC1=CC=CN=C1 7306AJ [2,0,0,0,0,0|2,0,0]=4 60 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 3361AA [1,1,0,0,0,0|2,0,0]=4 61 B11R1.7 CC(C)(CN)C1=CC=CC=C1 0879AB [1,1,0,0,0,0|2,0,0]=4 62 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Y6483 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4663AH [1,1,0,0,0,0|2,0,0]=4 64 B11R1.7 CCC(F)(F)C1=CC=CC=C1 9060AE [1,1,0,0,0,0|2,0,0]=4 65 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [1,1,0,0,0,0|1,0,0]=3 66 B11R1.16 CC(N=C=O)C1=CC=CC=C1 6171AD [1,1,0,0,0,0|1,0,1]=4 67 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [1,1,0,0,0,0|1,0,0]=3 68 B11R1.16 CN(CCN)C1=CC=CC=C1 5337AD [1,1,0,0,0,0|2,0,0]=4 69 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [1,1,0,0,0,0|1,0,0]=3 70 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [1,1,0,0,0,0|1,0,0]=3 71 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.22 CC(C#N)C1=CC=C(N)C=C1 2826AB [1,1,0,0,0,0|2,0,0]=4 73 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [1,1,0,0,0,0|2,0,0]=4 74 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [1,1,0,0,0,0|2,0,0]=4 75 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 1643AC [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [1,1,0,0,0,0|2,0,0]=4 77 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [1,1,0,0,0,0|2,0,0]=4 78 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [1,1,0,0,0,0|2,0,0]=4 79 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [1,1,0,0,0,0|1,0,0]=3 80 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [1,1,0,0,0,0|2,0,0]=4 81 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.22 CNC(C)C1=CC=C(F)C=C1 5899AE [1,1,0,0,0,0|1,0,0]=3 84 B11R1.22 COC(=O)C1=CC=C(N)C=C1 3562AL [1,1,0,0,0,0|0,0,2]=4 85 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [1,1,0,0,0,0|0,0,0]=2 86 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [1,1,0,0,0,0|2,0,0]=4 87 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [1,1,0,0,0,0|2,0,0]=4 88 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [1,1,0,0,0,0|2,0,0]=4 89 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 5554AC [1,1,0,0,0,0|2,0,0]=4 90 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.23 CC1=CC=CC(C(O)CN)=C1 7583AB [1,1,0,0,0,0|2,0,0]=4 92 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 2535AE [1,1,0,0,0,0|2,0,0]=4 93 B11R1.23 CCC(N)C1=CC(N)=CC=C1 1913AJ [1,1,0,0,0,0|2,0,0]=4 94 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 X9176 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 9082AH [1,1,0,0,0,0|2,0,0]=4 96 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 2712AC [1,1,0,0,0,0|2,0,0]=4 97 B11R1.23 NCC(O)C1=CC(F)=CC=C1 5405AB [1,1,0,0,0,0|2,0,0]=4 98 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 X3148 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 6985AA [1,1,0,0,0,0|2,0,0]=4 100 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 E850 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [1,1,0,0,0,0|2,0,0]=4 102 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.222 CC[C@H](N)C1=CC=CC=C1Cl W8965 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 5504AB [1,1,0,0,0,0|2,0,0]=4 106 B11R1.222 NCC(O)C1=CC=CC=C1F 3587AB [1,1,0,0,0,0|2,0,0]=4 107 B13R1.145 COC(CC1=CC=C(C)C=C1)OC 0502AQ [0,1,0,0,0,1|0,0,0]=2 108 B13R1.145 COC(CC1=CC=C(F)C=C1)OC 0497AQ [0,1,0,0,0,1|0,0,0]=2 109 B13R1.145 COC(CC1=CC=C(N)C=C1)OC 5135AB [0,1,0,0,0,1|0,0,0]=2 110 B13R1.146 COC(CC1=CC=CC(C)=C1)OC 0482AQ [0,1,0,0,0,1|0,0,0]=2 111 B13R1.335 COC(CC1=CC=CC=C1C)OC 1070AQ [0,1,0,0,0,1|0,0,0]=2 112 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC I556 [0,1,0,0,0,1|1,0,0]=3 113 B13R1.26 COC(CCC#N)C1=CC=CC=C1 8550AE [0,2,0,0,0,0|1,0,0]=3 114 B13R1.532 CCC(C(=O)OC)C1=CC=CC=C1 1460AB [0,2,0,0,0,0|1,0,0]=3 115 B13R1.532 COC(=O)C(CN)C1=CC=CC=C1 7007AJ [0,2,0,0,0,0|2,0,0]=4 116 B13R1.713 CC(=O)OC(C#N)C1=CC=CC=C1 6517AJ [0,2,0,0,0,0|2,0,0]=4 117 B13R1.713 CNC(CN(C)C)C1=CC=CC=C1 4473AH [0,2,0,0,0,0|2,0,0]=4 118 B13R1.39 COC1=NC=C(C(OC)OC)C=C1 6515AC [0,2,0,0,0,0|1,0,0]=3 119 B13R1.961 COC(OC)C1=CC=C(F)C=C1F V3319 [0,2,0,0,0,0|0,0,0]=2 120 B13R1.646 COC1=NC=CC(C(OC)OC)=N1 Z4355 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.92 COC1=C(C(OC)OC)C=CC=N1 1093AF [0,2,0,0,0,0|1,0,0]=3 122 B13R1.2711 COC(C)(OC)C1=CC=CC=C1Br 0430AQ [0,2,0,0,0,0|0,0,0]=2 123 B13R1.8528 COC(OC)C1=C(F)C=CC=C1Br V2961 [0,2,0,0,0,0|0,0,0]=2 124 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [1,0,0,1,0,0|2,0,0]=4 125 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [1,0,0,1,0,0|2,0,0]=4 126 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8297AH [1,0,0,1,0,0|2,0,0]=4 127 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [1,0,0,1,0,0|2,0,0]=4 128 B11R2.2 C1=CSC(C2OCCO2)=N1 1700AL [0,0,0,1,1,0|2,0,0]=4 129 B13R2.57 CNC1CCC2=CC=CC=C2C1 1367AB [0,0,0,1,0,1|2,0,0]=4 130 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 W4163 [0,1,0,1,0,0|2,0,0]=4 131 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 Y5355 [0,1,0,1,0,0|1,0,0]=3 132 B13R2.3 C1=CC=C(C2CSCCN2)C=C1 W3091 [0,1,0,1,0,0|1,1,0]=4 133 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 1581AC [0,1,0,1,0,0|1,0,0]=3 134 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 X3798 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 W6259 [0,1,0,1,0,0|2,0,0]=4 136 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 1584AC [0,1,0,1,0,0|1,0,0]=3 137 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 5326AC [0,1,0,1,0,0|1,0,0]=3 138 B13R2.3 C1=CN=CC(C2CNCCO2)=C1 4881AH [0,1,0,1,0,0|2,0,0]=4 139 B13R2.15 OC1CCCC1C2=CC=CC=C2 2167AL [0,1,0,1,0,0|2,0,0]=4 140 B13R2.1613 CCC1NCCC2=C1C=CC=C2 0911AA [0,1,0,1,0,0|2,0,0]=4 141 B13R2.1613 NCC1OCCC2=CC=CC=C21 6452AD [0,1,0,1,0,0|2,0,0]=4 142 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 Y7108 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 1158AJ [0,1,0,1,0,0|2,0,0]=4 144 B13R2.12 CC1=CC=C(C2NCCS2)C=C1 7863AE [0,1,0,1,0,0|1,1,0]=4 145 B13R2.12 ClC1=CC=C(C2NCCS2)C=C1 9576AE [0,1,0,1,0,0|1,1,0]=4 146 B13R2.12 FC1=CC=C(C2NCCS2)C=C1 7862AE [0,1,0,1,0,0|1,1,0]=4 147 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 3069AB [0,1,0,1,0,0|2,0,0]=4 148 B13R2.12 FC1=CC=C([C@H]2CCCN2)C=C1 3068AB [0,1,0,1,0,0|2,0,0]=4 149 B13R2.12 NC1=CC=C(C2=NCCO2)C=C1 5339AE [0,1,0,1,0,0|1,0,1]=4 150 B13R2.12 NC1=CC=C(C2SCCS2)C=C1 4182AF [0,1,0,1,0,0|0,2,0]=4 151 B13R2.13 BrC1=CC=CC(C2=NCCO2)=C1 Y2145 [0,1,0,1,0,0|1,0,1]=4 152 B13R2.13 BrC1=CC=CC([C@@H]2CCCN2)=C1 1081AL [0,1,0,1,0,0|2,0,0]=4 153 B13R2.13 BrC1=CC=CC([C@H]2CCCN2)=C1 1073AL [0,1,0,1,0,0|2,0,0]=4 154 B13R2.13 CC1=NC(C2OCCO2)=CC=C1 0350AQ [0,1,0,1,0,0|1,0,0]=3 155 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 8569AH [0,1,0,1,0,0|2,0,0]=4 156 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 Q590 [0,1,0,1,0,0|2,0,0]=4 157 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 4837AJ [0,1,0,1,0,0|2,0,0]=4 158 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 4802AJ [0,1,0,1,0,0|2,0,0]=4 159 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 X6111 [0,1,0,1,0,0|2,0,0]=4 160 B13R2.13 FC1=CC=CC([C@H]2CCCN2)=C1 4801AJ [0,1,0,1,0,0|2,0,0]=4 161 B13R2.18 BrC1=CC=CC=C1C2CCCN2 X9751 [0,1,0,1,0,0|2,0,0]=4 162 B13R2.18 ClC1=C(C2NCCS2)C=CC=C1 7880AE [0,1,0,1,0,0|1,1,0]=4 163 B13R3.1962 [C@@H]12CC[C@@H](N1)C3=C2C=CC=C3 3032AH [0,0,0,2,0,0|2,0,0]=4 164 B11R1.40 CC(C#N)NC1=CC=CC=C1 5308AJ [1,0,0,0,0,1|2,0,0]=4 165 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [1,0,0,0,0,1|2,0,0]=4 166 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [1,0,0,0,0,1|2,0,0]=4 167 B13R1.417 COC(COC1=CC=CC=C1)OC 4449AJ [0,0,0,0,0,2|0,0,0]=2