0 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C=CS(=O)C1=CC=CC=C1 0500AB [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.15 CCC(=O)C1=CC=CN=C1 Y5018 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CCC(=O)C1=NC=CC=C1 Y6177 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCC(C)C1=NC=CN=C1 R546 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CCC(N)C1=NC=CC=C1 4914AJ [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 CCN(N)C1=CC=CC=C1 4841AL [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 CN(C=O)C1=NC=CC=C1 0345AC [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [0,0,0,0,0,0|3,0,0]=3 17 B10R1.15 CNC(C)C1=CC=NC=C1 5030AD [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 COS(=O)C1=CC=CC=C1 0314AC [0,0,0,0,0,0|4,0,0]=4 20 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [0,0,0,0,0,0|0,0,0]=0 21 B10R1.15 C\C(=N\O)C1=CC=CN=C1 V6841 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 C\C(=N\O)C1=CC=NC=C1 Z8096 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 C\C(=N\O)C1=NC=CC=C1 V3827 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 NC(CO)C1=CC=CC=N1 1465AJ [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,0,0,0,0,0|1,0,0]=1 26 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 NCC(O)C1=NC=CC=C1 4964AH [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.15 N\C(=N/O)C1=CC=CC=C1 3148AL [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 O=C(CBr)C1=CC=CC=N1 5318AB [0,0,0,0,0,0|3,0,1]=4 31 B10R1.15 O=C(CBr)C1=CC=CN=C1 C113 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7120AL [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7846AF [0,0,0,0,0,0|3,0,1]=4 34 B10R1.15 O=C(O[Ag])C1=CC=CC=C1 7828AF [0,0,0,0,0,0|3,0,1]=4 35 B9R1.6 CC(Br)C1=NC=CN=C1 5526AC [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 CC(N)C1=CC=NC=C1 W3800 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 CC(N)C1=CC=NC=C1 W6570 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 CC(N)C1=NC=CN=C1 Z2224 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 CN(C)C1=CN=CC=C1 9643AA [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 CP(C)C1=CC=CC=C1 0349AC [1,0,0,0,0,0|1,0,0]=2 44 B9R1.6 C[C@@H](N)C1=CC=NC=C1 4791AJ [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 FC(F)C1=CC=CC=N1 2389AA [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 FC(F)C1=CN=CC=C1 9427AE [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 N=C(N)C1=NC=CC=C1 Z3386 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 O=C(F)C1=CC=CC=C1 3921AE [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 BrCCC1=NC=CC=C1 W8132 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 BrCC[N+]1=CC=CC=C1 V0516 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 C=COC1=CC=CC=C1 1277AQ [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 CC#CC1=CC=CC=C1 4952AL [1,0,0,0,0,0|1,0,2]=4 62 B9R1.8 CCCC1=NC=CC=C1 C946 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 CCCC1=NC=CN=C1 6087AD [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 CCNC1=CC=CC=N1 5047AL [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|3,0,0]=4 66 B9R1.8 COCC1=CC=CN=C1 5231AH [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 COCC1=CC=NC=C1 5493AH [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 COCC1=NC=CC=C1 V2195 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 CSCC1=CC=CC=C1 7914AF [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [1,0,0,0,0,0|1,0,2]=4 71 B9R1.8 C\N=C\C1=CC=CC=C1 R179 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 ClCCC1=NC=CC=C1 W3687 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 ICCC1=CC=CC=C1 4037AL [1,0,0,0,0,0|1,0,0]=2 74 B9R1.8 N#COC1=CC=CC=C1 3790AL [1,0,0,0,0,0|1,0,2]=4 75 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,0,0,0,0,0|0,0,0]=1 76 B9R1.8 NCCC1=CC=CN=C1 9756AD [1,0,0,0,0,0|1,0,0]=2 77 B9R1.8 NCCC1=CC=CN=C1 W8702 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.8 NCCC1=CC=NC=C1 W7604 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.8 NNCC1=CC=NC=C1 2364AF [1,0,0,0,0,0|2,0,0]=3 80 B9R1.8 N\N=C\C1=CC=CC=C1 7871AF [1,0,0,0,0,0|1,0,1]=3 81 B9R1.8 O=S=NC1=CC=CC=C1 8948AJ [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 OCCC1=CC=CC=C1 V0900 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.8 OCCC1=CC=CN=C1 Y9667 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.8 OCCC1=CC=NC=C1 6680AL [1,0,0,0,0,0|2,0,0]=3 85 B9R1.8 ONCC1=CC=CC=C1 9353AB [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 Y9586 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 [CH2][CH][CH]C1=CC=CC=C1 8736AL [1,0,0,0,0,0|1,0,2]=4 88 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 X7093 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.7 C=C[Si](C)(C)C1=CC=CC=C1 3917AL [0,1,0,0,0,0|1,1,1]=4 90 B11R1.7 CC(C)(CO)C1=CC=CC=C1 1041AB [0,1,0,0,0,0|1,0,0]=2 91 B11R1.7 CCC(C)(C)C1=CC=CC=C1 0523AB [0,1,0,0,0,0|1,0,0]=2 92 B11R1.7 CCS(=N)(=O)C1=CC=CC=C1 9057AJ [0,1,0,0,0,0|3,0,0]=4 93 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 9605AA [0,1,0,0,0,0|1,1,0]=3 94 B11R1.7 O=S(=O)(CF)C1=CC=CC=C1 0643AB [0,1,0,0,0,0|3,0,0]=4 95 B11R1.12 CCC(CC)C1=CC=NC=C1 6200AL [0,1,0,0,0,0|2,0,0]=3 96 B11R1.12 CCN(CC)C1=CC=CC=C1 5729AF [0,1,0,0,0,0|2,0,0]=3 97 B11R1.12 CCN(CC)C1=CC=CC=C1 8878AJ [0,1,0,0,0,0|2,0,0]=3 98 B11R1.12 CCN(CC)C1=NC=CC=C1 5597AL [0,1,0,0,0,0|3,0,0]=4 99 B11R1.12 CCN(N=O)C1=CC=CC=C1 8933AJ [0,1,0,0,0,0|3,0,0]=4 100 B11R1.12 CCP(CC)C1=CC=CC=C1 8571AJ [0,1,0,0,0,0|2,0,0]=3 101 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [0,1,0,0,0,0|1,0,0]=2 102 B11R1.12 N#CC(C=O)C1=CC=CC=C1 6061AE [0,1,0,0,0,0|0,0,3]=4 103 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [0,1,0,0,0,0|2,0,0]=3 104 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [0,1,0,0,0,0|2,0,0]=3 105 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 1965AB [0,1,0,0,0,0|3,0,0]=4 106 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [0,1,0,0,0,0|1,0,0]=2 107 B11R1.16 CN(CCO)C1=NC=CC=C1 G779 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.16 CNCC(O)C1=CC=CC=C1 7554AE [0,1,0,0,0,0|1,0,0]=2 109 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [0,1,0,0,0,0|2,0,1]=4 110 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 8510AJ [0,1,0,0,0,0|1,0,1]=3 111 B11R1.16 N#CCC(O)C1=CC=CC=C1 5339AH [0,1,0,0,0,0|1,0,1]=3 112 B11R1.16 NCCC(O)C1=CC=CC=C1 6964AB [0,1,0,0,0,0|1,0,0]=2 113 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 5818AB [0,1,0,0,0,0|0,0,2]=3 114 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 1635AE [0,1,0,0,0,0|2,0,1]=4 115 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,1,0,0,0,0|2,0,0]=3 116 B11R1.22 CCN(C)C1=CC=C(N)C=C1 9950AH [0,1,0,0,0,0|2,0,0]=3 117 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 6535AL [0,1,0,0,0,0|2,0,1]=4 118 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4163AD [0,1,0,0,0,0|2,0,0]=3 119 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 Y5103 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 L165 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 W8329 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 X8275 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6772 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 0082AE [0,1,0,0,0,0|2,0,1]=4 125 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 5413AB [0,1,0,0,0,0|2,0,1]=4 126 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 2026AL [0,1,0,0,0,0|2,0,0]=3 127 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 7236AB [0,1,0,0,0,0|2,0,1]=4 128 B11R1.23 CCN(N)C1=CC=CC(C)=C1 4837AL [0,1,0,0,0,0|3,0,0]=4 129 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 8613AB [0,1,0,0,0,0|2,0,1]=4 130 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 8613AC [0,1,0,0,0,0|2,0,1]=4 131 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 V6203 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 2340AE [0,1,0,0,0,0|2,0,1]=4 133 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 Y1217 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 U801 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [0,1,0,0,0,0|3,0,0]=4 137 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [0,1,0,0,0,0|3,0,0]=4 138 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [0,1,0,0,0,0|2,0,0]=3 139 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,1,0,0,0,0|2,0,0]=3 140 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 5584AL [0,1,0,0,0,0|2,0,1]=4 142 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C 4191AL [0,1,0,0,0,0|2,0,0]=3 143 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 U170 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 0850AC [0,1,0,0,0,0|1,0,1]=3 145 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 3705AE [0,1,0,0,0,0|1,0,1]=3 146 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 7117AH [0,1,0,0,0,0|1,0,1]=3 147 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 6492AB [0,1,0,0,0,0|2,0,1]=4 148 B11R1.222 CC(C#N)C1=CC=CC=C1Br V6737 [0,1,0,0,0,0|0,0,2]=3 149 B11R1.222 CC(C#N)C1=CC=CC=C1Cl 1799AC [0,1,0,0,0,0|0,0,2]=3 150 B11R1.222 CC1=CC=CC=C1N(C)C=O 8371AL [0,1,0,0,0,0|2,0,1]=4 151 B11R1.222 CCC(=O)C1=CC=CC=C1C V4211 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.222 CCC(=O)C1=CC=CC=C1Cl Z4973 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.222 CCC(N)C1=NC=CC=C1C 7392AC [0,1,0,0,0,0|3,0,0]=4 154 B11R1.222 CCN(N)C1=C(C)C=CC=C1 4838AL [0,1,0,0,0,0|3,0,0]=4 155 B11R1.222 C\C(NO)=C1\C=CC=CC1=O 0747AD [0,1,0,0,0,0|2,0,1]=4 156 B11R1.222 N#CC(O)C1=C(Cl)C=CC=C1 6052AA [0,1,0,0,0,0|1,0,2]=4 157 B11R1.222 NCC(=O)C1=CC=CC=C1F W9587 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.222 NNC(=O)C1=CC=CC=C1Br 9319AD [0,1,0,0,0,0|2,0,1]=4 159 B11R1.222 O=C(CBr)C1=CC=CC=C1F V7141 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl X3149 [0,1,0,0,0,0|2,0,0]=3 161 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [0,0,0,1,0,0|1,0,2]=4 162 B11R2.1 CC1=CNC2=C1C=CC=N2 W7016 [0,0,0,1,0,0|1,0,2]=4 163 B11R2.1 CC1=CNC2=C1C=NC=C2 1454AB [0,0,0,1,0,0|1,0,2]=4 164 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [0,0,0,1,0,0|1,0,2]=4 165 B11R2.1 CC1=CSC2=CC=CC=C12 I293 [0,0,0,1,0,0|1,0,2]=4 166 B11R2.1 CC1=NNC2=C1C=CC=C2 W5365 [0,0,0,1,0,0|1,0,1]=3 167 B11R2.1 CC1=NNC2=C1C=CN=C2 Z3858 [0,0,0,1,0,0|2,0,1]=4 168 B11R2.1 CC1=NNC2=CC=CN=C21 W4149 [0,0,0,1,0,0|2,0,1]=4 169 B11R2.1 CC1=NNC2=NC=CC=C12 X9179 [0,0,0,1,0,0|2,0,1]=4 170 B11R2.1 CC1=NOC2=CC=CC=C21 Z4787 [0,0,0,1,0,0|2,0,1]=4 171 B11R2.1 CN1N=CC2=C1C=CC=C2 Z9755 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,0,0,1,0,0|2,0,0]=3 173 B11R2.1 NN1CCC2=C1C=CC=C2 3264AF [0,0,0,1,0,0|3,0,0]=4 174 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 X8642 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 Z4595 [0,0,0,1,0,0|2,0,0]=3 176 B11R2.1 O=C1CSC2=CC=CC=C12 X9761 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [0,0,0,1,0,0|0,0,0]=1 179 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,0,0,1,0,0|0,0,0]=1 180 B11R2.40 CC1(C2=CC=CC=C2)CO1 5786AL [0,0,0,1,0,0|1,0,0]=2 181 B11R2.40 NC1(C2=CC=CC=C2)CC1 W8184 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.40 NC1(C2=CC=CC=C2)CC1 X2090 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.40 NC1(C2=CC=CC=N2)CC1 3916AA [0,0,0,1,0,0|3,0,0]=4 184 B11R2.239 C1=CC(C2CNC2)=CN=C1 4511AA [0,0,0,1,0,0|1,0,0]=2 185 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [0,0,0,0,0,1|1,0,0]=2 186 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [0,0,0,0,0,1|3,0,0]=4 187 B11R1.40 NNC(=O)NC1=CC=CC=C1 5322AE [0,0,0,0,0,1|2,0,1]=4 188 B11R1.40 N[C@H](CS)SC1=NC=CC=C1 Z6843 [0,0,0,0,0,1|3,0,0]=4 189 B11R1.40 O=C(CBr)NC1=CC=CC=C1 7553AB [0,0,0,0,0,1|2,0,1]=4 190 B11R1.40 O=C(CCl)NC1=CC=CC=C1 V6785 [0,0,0,0,0,1|2,0,1]=4 191 B8R1.2 BrCC1=CC=NC=C1 Y7030 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 CSC1=NC=CC=C1 L314 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 N#CC1=CC=CC=C1 E085 [2,0,0,0,0,0|0,0,2]=4 195 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.2 NCC1=CN=CN=C1 W4845 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 NCC1=NC=CN=C1 W5959 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 NCC1=NC=NC=C1 9281AB [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 NNC1=CC=CN=C1 Z1664 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.13 CC(Br)C1=CC=C(F)C=C1 9966AB [1,1,0,0,0,0|1,0,0]=3 201 B10R1.13 CC(C)C1=CC=C(N)C=N1 Z4708 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 W7245 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 Z4894 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 Z2196 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.13 CC(N)C1=CC=C(Br)C=C1 V8869 [1,1,0,0,0,0|0,0,0]=2 206 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 V6495 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 Y9670 [1,1,0,0,0,0|0,0,0]=2 208 B10R1.13 CC(N)C1=CC=C(F)C=C1 V5775 [1,1,0,0,0,0|0,0,0]=2 209 B10R1.13 CC(O)C1=CC=C(O)C=C1 Z4466 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.13 CC(O)C1=NC=C(Br)C=C1 8022AA [1,1,0,0,0,0|2,0,0]=4 211 B10R1.13 CC1=CC=C(C(=N)N)C=C1 2887AJ [1,1,0,0,0,0|1,0,1]=4 212 B10R1.13 CC1=CC=C(C(C)N)C=C1 8708AB [1,1,0,0,0,0|0,0,0]=2 213 B10R1.13 CC1=NC=C(C(C)O)C=C1 0117AA [1,1,0,0,0,0|2,0,0]=4 214 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 6145AJ [1,1,0,0,0,0|1,0,0]=3 215 B10R1.13 CN(C)C1=CC=C(F)C=C1 2692AE [1,1,0,0,0,0|1,0,0]=3 216 B10R1.13 CN(C)C1=CC=C(O)C=C1 Z4951 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.13 CN(C)C1=NC=C(I)C=C1 Z0561 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.13 CN(C)C1=NC=C(N)C=C1 Z8075 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 V9278 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.13 CS(=O)C1=CC=C(F)C=C1 7689AJ [1,1,0,0,0,0|2,0,0]=4 221 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 4787AJ [1,1,0,0,0,0|0,0,0]=2 222 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 X9175 [1,1,0,0,0,0|0,0,0]=2 223 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 W5396 [1,1,0,0,0,0|0,0,0]=2 224 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 1808AC [1,1,0,0,0,0|1,0,0]=3 225 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 6983AC [1,1,0,0,0,0|1,0,0]=3 227 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 6544AL [1,1,0,0,0,0|1,0,0]=3 228 B10R1.13 FC(F)C1=CC=C(Br)C=C1 X0133 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 V6035 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.13 FC1=CC=C(C(F)F)C=C1 8605AD [1,1,0,0,0,0|2,0,0]=4 231 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 1266AB [1,1,0,0,0,0|1,0,1]=4 232 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C099 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2845AJ [1,1,0,0,0,0|1,0,1]=4 234 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 V4765 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.28 CC(C)(C)C1=NC=CN=C1 S575 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.28 CC(C)(N)C1=CC=CC=N1 5199AJ [1,1,0,0,0,0|1,0,0]=3 237 B10R1.28 CC(C)(O)C1=CC=CN=C1 Y7594 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.28 CC(C)(O)C1=NC=CC=C1 4873AB [1,1,0,0,0,0|1,0,0]=3 239 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 8822AL [1,1,0,0,0,0|1,0,0]=3 240 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 9417AF [1,1,0,0,0,0|0,1,0]=3 241 B10R1.61 CC(Cl)C1=CC=CC=C1Cl 0284AB [1,1,0,0,0,0|1,0,0]=3 242 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [1,1,0,0,0,0|0,0,0]=2 243 B10R1.61 CC(N)C1=CC=CC=C1Cl V8121 [1,1,0,0,0,0|0,0,0]=2 244 B10R1.61 CC(N)C1=CC=CC=C1Cl X6241 [1,1,0,0,0,0|0,0,0]=2 245 B10R1.61 CC(N)C1=CC=CC=C1F V7591 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.61 CC(O)C1=C(Br)C=CC=C1 4894AJ [1,1,0,0,0,0|1,0,0]=3 247 B10R1.61 CC(O)C1=C(Cl)N=CC=C1 5872AA [1,1,0,0,0,0|2,0,0]=4 248 B10R1.61 CC(O)C1=CC=CC=C1F X8296 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.61 CC(O)C1=CC=CC=C1N Z6783 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.61 CC1=CC=CC=C1C(=N)N 1807AJ [1,1,0,0,0,0|1,0,1]=4 251 B10R1.61 CC1=CC=CC=C1C(=N)N 5089AH [1,1,0,0,0,0|1,0,1]=4 252 B10R1.61 CN(C)C1=C(F)C=CC=C1 9536AF [1,1,0,0,0,0|1,0,0]=3 253 B10R1.61 CN(C)C1=CC=CC=C1O Z4668 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [1,1,0,0,0,0|0,0,0]=2 255 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl X9707 [1,1,0,0,0,0|0,0,0]=2 256 B10R1.61 C[C@@H](N)C1=CC=CC=C1O X9575 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 8241AA [1,1,0,0,0,0|1,0,0]=3 258 B10R1.61 FC(F)C1=CC=CC=C1Br V7943 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.61 FC1=CC=CC=C1C(Cl)Cl 3540AB [1,1,0,0,0,0|2,0,0]=4 260 B10R1.61 FC1=CC=CC=C1C(F)F 7228AE [1,1,0,0,0,0|2,0,0]=4 261 B10R1.61 N=C(N)C1=CC=CC=C1Br Y9512 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.61 N=C(N)C1=CC=CC=C1Cl Y8078 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.61 N=C(N)C1=CC=CC=C1F W7062 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.61 NC(=S)C1=C(O)C=CC=C1 5069AH [1,1,0,0,0,0|1,0,1]=4 265 B10R1.61 NC(=S)C1=CC=CC=C1F I217 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.113 CC(C)C1=CC(N)=NC=N1 9682AC [1,1,0,0,0,0|2,0,0]=4 267 B10R1.113 CC(C)C1=CC=CC(Br)=N1 Z6690 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4929AJ [1,1,0,0,0,0|0,0,0]=2 269 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 V4629 [1,1,0,0,0,0|0,0,0]=2 270 B10R1.113 CC(N)C1=CC=CC(F)=C1 1626AC [1,1,0,0,0,0|0,0,0]=2 271 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 4933AJ [1,1,0,0,0,0|1,0,0]=3 272 B10R1.113 CC(O)C1=CC(F)=CC=C1 2665AE [1,1,0,0,0,0|1,0,0]=3 273 B10R1.113 CC(O)C1=CC(O)=CC=C1 4940AJ [1,1,0,0,0,0|1,0,0]=3 274 B10R1.113 CC(O)C1=CC=CC(N)=C1 W4803 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.113 CC(O)C1=NC(Br)=CC=C1 Z4144 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.113 CC1=CC(C(C)N)=CC=C1 8402AE [1,1,0,0,0,0|0,0,0]=2 277 B10R1.113 CC1=CC(C(N)=O)=CC=C1 F917 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.113 CC1=CC(N(C)N)=CC=C1 4897AL [1,1,0,0,0,0|1,0,0]=3 279 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 W3022 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.113 CC1=CC=CC(C(=N)N)=C1 0599AB [1,1,0,0,0,0|1,0,1]=4 281 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [1,1,0,0,0,0|1,0,0]=3 282 B10R1.113 CN(C)C1=CC(Br)=NC=C1 W5993 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.113 CN(C)C1=CC(F)=CC=C1 0769AB [1,1,0,0,0,0|1,0,0]=3 284 B10R1.113 CN(C)C1=CC=CC(Cl)=C1 0572AC [1,1,0,0,0,0|1,0,0]=3 285 B10R1.113 CN(C)C1=NC(Br)=CC=C1 X9016 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.113 CN(C)C1=NC=CC(Br)=C1 W9695 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 6220AA [1,1,0,0,0,0|1,0,0]=3 288 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 6759AA [1,1,0,0,0,0|0,0,0]=2 289 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Z1666 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 X4842 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 6282AA [1,1,0,0,0,0|1,0,0]=3 292 B10R1.113 FC(F)C1=CC(Br)=CC=C1 W5231 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.113 FC1=CC=CC(C(Cl)Cl)=C1 2666AE [1,1,0,0,0,0|2,0,0]=4 294 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 Y9632 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 V4474 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.113 NC(=S)C1=CC=CC(F)=C1 V7493 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [1,1,0,0,0,0|1,0,1]=4 298 B10R1.113 NC1=CC=CC(C(F)F)=C1 4695AB [1,1,0,0,0,0|2,0,0]=4 299 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [1,1,0,0,0,0|0,0,0]=2 301 B10R1.1 CCCC1=CC=C(Cl)C=C1 5012AE [1,1,0,0,0,0|1,0,0]=3 302 B10R1.1 CCSC1=CC=C(Br)C=C1 9641AD [1,1,0,0,0,0|2,0,0]=4 303 B10R1.1 CNCC1=CC=C(Br)C=C1 7292AJ [1,1,0,0,0,0|2,0,0]=4 304 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [1,1,0,0,0,0|2,0,0]=4 305 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.1 CNCC1=CC=C(Cl)C=C1 7293AJ [1,1,0,0,0,0|2,0,0]=4 307 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.1 N#CCC1=CC=C(I)C=C1 X2663 [1,1,0,0,0,0|0,0,2]=4 310 B10R1.1 N#CCC1=CC=C(N)C=C1 4180AB [1,1,0,0,0,0|0,0,2]=4 311 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [1,1,0,0,0,0|0,0,0]=2 312 B10R1.1 NNCC1=CC=C(Br)C=C1 3948AE [1,1,0,0,0,0|1,0,0]=3 313 B10R1.1 NNCC1=CC=C(F)C=C1 Z3849 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [1,1,0,0,0,0|1,0,0]=3 315 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [1,1,0,0,0,0|1,0,1]=4 318 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [1,1,0,0,0,0|1,0,0]=3 319 B10R1.1 OCCC1=CC=C(Cl)N=C1 1226AJ [1,1,0,0,0,0|2,0,0]=4 320 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 OCCC1=NC=C(Br)C=C1 3590AA [1,1,0,0,0,0|2,0,0]=4 322 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.4 C=CCC1=C(C)C=CC=C1 7968AA [1,1,0,0,0,0|1,0,1]=4 324 B10R1.4 CC1=CC=CC=C1CCN S579 [1,1,0,0,0,0|0,0,0]=2 325 B10R1.4 CCCC1=CC=NC=C1C 1078AE [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 CCNC1=CC=CC=C1F 8903AD [1,1,0,0,0,0|2,0,0]=4 327 B10R1.4 CCOC1=C(Cl)C=CC=C1 9221AB [1,1,0,0,0,0|2,0,0]=4 328 B10R1.4 CCOC1=CC=CC=C1F Z0605 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.4 CCOC1=CC=CC=C1N 8719AL [1,1,0,0,0,0|2,0,0]=4 330 B10R1.4 CNCC1=C(O)C=CC=C1 5657AL [1,1,0,0,0,0|2,0,0]=4 331 B10R1.4 CNCC1=CC=CC=C1F W6033 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.4 COCC1=C(O)C=CC=C1 5292AJ [1,1,0,0,0,0|2,0,0]=4 333 B10R1.4 COCC1=CC=CC=C1Br Z0660 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.4 ClC1=C(CCBr)C=CC=C1 8570AA [1,1,0,0,0,0|1,0,0]=3 335 B10R1.4 FC1=CC=CC=C1CCBr W9375 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 N#CCC1=C(N)C=CC=C1 5596AB [1,1,0,0,0,0|0,0,2]=4 337 B10R1.4 NCCC1=CC=CC=C1Br Z8825 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.4 NCCC1=CC=CC=C1N X9142 [1,1,0,0,0,0|0,0,0]=2 339 B10R1.4 NNCC1=CC=CC=C1F 9039AF [1,1,0,0,0,0|1,0,0]=3 340 B10R1.10 BrCCC1=CC=CC(Br)=C1 1605AL [1,1,0,0,0,0|1,0,0]=3 341 B10R1.10 C=CCC1=CC(F)=CC=C1 9816AD [1,1,0,0,0,0|1,0,1]=4 342 B10R1.10 C=CCC1=CC=CC(Cl)=C1 2150AE [1,1,0,0,0,0|1,0,1]=4 343 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|1,0,0]=3 344 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [1,1,0,0,0,0|2,0,0]=4 346 B10R1.10 CCNC1=CC=CC(O)=C1 9329AB [1,1,0,0,0,0|2,0,0]=4 347 B10R1.10 CCSC1=CC(Br)=CC=C1 V3919 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.10 CNCC1=CC=CC(Br)=C1 7287AJ [1,1,0,0,0,0|2,0,0]=4 349 B10R1.10 CNCC1=CC=CC(C)=C1 5109AB [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 CNCC1=CC=CC(Cl)=C1 7403AJ [1,1,0,0,0,0|2,0,0]=4 351 B10R1.10 COCC1=CC(Br)=CC=C1 Z0210 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.10 COCC1=CC(N)=CC=C1 V6465 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.10 ClC1=CC(CCBr)=CC=C1 4892AJ [1,1,0,0,0,0|1,0,0]=3 354 B10R1.10 N#CCC1=CC(I)=CC=C1 5596AA [1,1,0,0,0,0|0,0,2]=4 355 B10R1.10 N#CCC1=CC=CC(N)=C1 Z4772 [1,1,0,0,0,0|0,0,2]=4 356 B10R1.10 NC1=CC(CCO)=CC=C1 7359AB [1,1,0,0,0,0|1,0,0]=3 357 B10R1.10 NCCC1=CC=CC(Br)=C1 V4368 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.10 NNCC1=CC(Cl)=CC=C1 7157AB [1,1,0,0,0,0|1,0,0]=3 359 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.10 NOCC1=CC=CC(F)=C1 7198AB [1,1,0,0,0,0|1,0,0]=3 361 B10R1.10 OCCC1=CC(O)=CC=C1 X9865 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.10 OCCC1=CC=CC(Cl)=C1 X8323 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.10 OCCC1=NC(Br)=CC=C1 X5060 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [1,1,0,0,0,0|1,0,0]=3 365 B10R1.17 C#CCOC1=CC=CC=C1 3952AD [1,1,0,0,0,0|1,0,1]=4 366 B10R1.17 C=CCSC1=CC=CC=C1 7036AL [1,1,0,0,0,0|1,0,1]=4 367 B10R1.17 C=COCC1=CC=CC=C1 1335AL [1,1,0,0,0,0|1,0,1]=4 368 B10R1.17 CCOCC1=CC=CC=C1 S562 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.17 CNCCC1=CC=NC=C1 5553AE [1,1,0,0,0,0|1,0,0]=3 370 B10R1.17 COCSC1=CC=CC=C1 8208AL [1,1,0,0,0,0|2,0,0]=4 371 B10R1.17 ClCC#CC1=CC=CC=C1 U705 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [1,1,0,0,0,0|1,0,0]=3 373 B10R1.17 NCCCC1=CC=CN=C1 X2118 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.17 NCCCC1=CC=NC=C1 3209AB [1,1,0,0,0,0|1,0,0]=3 375 B10R1.17 NCCOC1=NC=CC=C1 W5199 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.17 NNCCC1=CC=CC=C1 4752AE [1,1,0,0,0,0|0,0,0]=2 377 B10R1.17 OCCNC1=CC=CC=C1 V7623 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [1,1,0,0,0,0|1,0,0]=3 379 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [1,1,0,0,0,0|1,0,1]=4 381 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 4299AL [1,1,0,0,0,0|1,0,1]=4 382 B10R1.18 NC(=O)OC1=CC=CC=C1 7861AF [1,1,0,0,0,0|1,0,1]=4 383 B12R1.32 C#CCN(C)CC1=CC=CC=C1 V1637 [0,1,0,0,0,1|2,0,0]=4 384 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [0,1,0,0,0,1|1,0,0]=3 385 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [0,1,0,0,0,1|1,0,1]=4 386 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 1968AL [0,1,0,0,0,1|1,0,1]=4 387 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 8476AC [0,1,0,0,0,1|1,0,1]=4 388 B12R1.49 CC1=CC=C(OC(=O)CN)C=C1 X9825 [0,1,0,0,0,1|1,0,1]=4 389 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 6147AJ [0,1,0,0,0,1|2,0,0]=4 390 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 W5702 [0,1,0,0,0,1|2,0,0]=4 391 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 5559AB [0,1,0,0,0,1|2,0,0]=4 392 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,1,0,0,0,1|2,0,0]=4 393 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 3046AC [0,1,0,0,0,1|1,0,0]=3 394 B12R1.118 N#CC(CO)CC1=CC=CC=C1 5460AJ [0,1,0,0,0,1|0,0,2]=4 395 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 5701AL [0,1,0,0,0,1|1,0,0]=3 396 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 2001AF [0,1,0,0,0,1|0,0,0]=2 397 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 X9114 [0,2,0,0,0,0|0,0,2]=4 398 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 2572AC [0,2,0,0,0,0|1,0,0]=3 399 B12R1.9 CC(C)(CO)C1=CC=C(N)C=C1 W4047 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.10 CC(C)(C#N)C1=CC=CC(Br)=C1 V8920 [0,2,0,0,0,0|0,0,2]=4 401 B12R1.10 CC(C)(C#N)C1=CC=CC(N)=C1 W9482 [0,2,0,0,0,0|0,0,2]=4 402 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 5781AL [0,2,0,0,0,0|1,0,0]=3 403 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 V5661 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.195 CC(C)(C#N)C1=CC=CC=C1Br V6736 [0,2,0,0,0,0|0,0,2]=4 405 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 8261AB [0,2,0,0,0,0|1,0,1]=4 406 B12R1.12 CCN(CC)C1=CC=C(Br)C=C1 0533AB [0,2,0,0,0,0|2,0,0]=4 407 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 8427AL [0,2,0,0,0,0|2,0,0]=4 408 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 4866AH [0,2,0,0,0,0|1,0,1]=4 409 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 0878AC [0,2,0,0,0,0|1,0,1]=4 410 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 7068AL [0,2,0,0,0,0|1,0,1]=4 411 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 W3045 [0,2,0,0,0,0|0,0,1]=3 412 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 Z3667 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.16 CC1=CC=C(N(C)CCO)C=C1 2784AB [0,2,0,0,0,0|2,0,0]=4 414 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 X9684 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 W7350 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 W9123 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 W7846 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.30 CCCCC(O)C1=CC=CC=C1 8631AB [0,2,0,0,0,0|2,0,0]=4 419 B12R1.30 CCCNC(C)C1=CC=CC=C1 4612AD [0,2,0,0,0,0|1,0,0]=3 420 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 2907AH [0,2,0,0,0,0|1,0,1]=4 421 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 5521AB [0,2,0,0,0,0|2,0,0]=4 422 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z5791 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 W5641 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 7913AD [0,2,0,0,0,0|2,0,0]=4 425 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088AE [0,2,0,0,0,0|2,0,0]=4 426 B12R1.225 CC(C(=O)O)C1=CC=CC(Br)=C1 W6758 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.225 CC(C(=O)O)C1=CC=CC(Cl)=C1 6891AA [0,2,0,0,0,0|1,0,1]=4 428 B12R1.225 C[C@H](C1=CC(O)=CC=C1)N(C)C 3159AC [0,2,0,0,0,0|2,0,0]=4 429 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(O)=C1 E767 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.358 CC[C@@H](N)C1=CC(F)=CC(F)=C1 W6414 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 W7376 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 7200AB [0,2,0,0,0,0|2,0,0]=4 433 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F Y7467 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F 9346AB [0,2,0,0,0,0|2,0,0]=4 435 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 0867AE [0,2,0,0,0,0|2,0,0]=4 436 B10R2.6 C1=CC=C(C2CC2)C=C1 V8423 [1,0,0,1,0,0|0,0,0]=2 437 B10R2.7 C1=CC2=C(C=C1)COC2 6725AB [1,0,0,1,0,0|2,0,0]=4 438 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [1,0,0,1,0,0|1,0,0]=3 439 B10R2.136 C1=CN(C2CNC2)C=N1 7721AA [0,0,0,1,1,0|2,0,0]=4 440 B12R2.18 CC1CC2=C(C=CC=C2)C1=O 9059AA [0,0,0,1,0,1|1,0,1]=4 441 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [0,0,0,1,0,1|1,0,0]=3 442 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,0,0,1,0,1|1,0,1]=4 443 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [0,0,0,1,0,1|1,0,0]=3 444 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 9149AE [0,0,0,1,0,1|1,0,0]=3 445 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O 4008AL [0,0,0,1,0,1|1,0,0]=3 446 B12R2.18 OC1C2=C(C=CC=C2)CC1Br 7739AB [0,0,0,1,0,1|2,0,0]=4 447 B12R2.18 OC1CC2=C(C=CC=C2)C1O 4451AL [0,0,0,1,0,1|2,0,0]=4 448 B12R2.24 CC1CNC2=C(C=CC=C2)S1 6248AE [0,0,0,1,0,1|0,0,0]=2 449 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,0,0,1,0,1|0,0,0]=2 450 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,0,0,1,0,1|2,0,0]=4 451 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,0,0,1,0,1|1,0,0]=3 452 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 6502AH [0,0,0,1,0,1|0,0,2]=4 453 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 W4407 [0,0,0,1,0,1|0,0,2]=4 454 B12R2.32 NCC1=CC2=CC=CC=C2O1 Y8923 [0,0,0,1,0,1|0,0,2]=4 455 B12R2.32 NCC1=CC2=CC=CC=C2S1 W7515 [0,0,0,1,0,1|0,0,2]=4 456 B12R2.32 NCC1=NC2=CC=CC=C2N1 W7132 [0,0,0,1,0,1|1,0,1]=4 457 B12R2.32 NCC1=NC2=CC=CC=C2N1 X5544 [0,0,0,1,0,1|1,0,1]=4 458 B12R2.32 NCC1=NC2=CC=CC=C2S1 5816AB [0,0,0,1,0,1|1,0,1]=4 459 B12R2.32 OCC1CC2=CC=CC=C2O1 W7718 [0,0,0,1,0,1|1,0,0]=3 460 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 9499AD [0,0,0,1,0,1|0,0,0]=2 461 B12R2.48 C#CC1(C2=CC=CC=C2)CC1 Y7495 [0,1,0,1,0,0|1,0,1]=4 462 B12R2.48 O=CC1(C2=CC=CC=C2)CC1 1046AB [0,1,0,1,0,0|1,0,1]=4 463 B12R2.116 NC1(C2=CC=CC=C2)CCC1 Z3969 [0,1,0,1,0,0|1,0,0]=3 464 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 2275AL [0,1,0,1,0,0|0,0,0]=2 465 B12R2.1 COC1OCC2=CC=CC=C21 4557AL [0,1,0,1,0,0|2,0,0]=4 466 B12R2.1 NCC1=CSC2=C1C=CC=C2 5052AJ [0,1,0,1,0,0|0,0,2]=4 467 B12R2.1 OCC1=NNC2=C1C=CC=C2 W7591 [0,1,0,1,0,0|1,0,1]=4 468 B12R2.2 C1=CC=C(C2CCNC2)N=C1 7524AA [0,1,0,1,0,0|1,0,0]=3 469 B12R2.2 C1=CC=C(C2SCCS2)C=C1 2161AL [0,1,0,1,0,0|2,0,0]=4 470 B12R2.2 C1=CN=C(C2CCCN2)C=C1 2691AD [0,1,0,1,0,0|2,0,0]=4 471 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 7465AB [0,1,0,1,0,0|1,0,0]=3 472 B12R2.1081 CC1=NCCC2=C1C=CC=C2 Z2315 [0,1,0,1,0,0|1,0,1]=4 473 B12R2.1081 CC1CCNC2=C1C=CC=C2 0022AB [0,1,0,1,0,0|0,0,0]=2 474 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z5091 [0,1,0,1,0,0|0,0,0]=2 475 B12R2.1081 CC1NCCC2=C1C=CC=C2 X8977 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.1081 CN1CCCC2=C1C=CC=C2 6666AB [0,1,0,1,0,0|2,0,0]=4 477 B12R2.1081 CN1CCNC2=C1C=CC=C2 X9648 [0,1,0,1,0,0|1,0,0]=3 478 B12R2.1081 NC1CCOC2=C1C=CC=C2 W6827 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.1081 NC1CCOC2=CC=CC=C21 5088AC [0,1,0,1,0,0|2,0,0]=4 480 B12R2.1081 N[C@@H]1CCOC2=CC=CC=C21 0758AB [0,1,0,1,0,0|2,0,0]=4 481 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 B573 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.1081 O=C1CCNC2=C1C=CC=C2 W8031 [0,1,0,1,0,0|1,0,1]=4 483 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 V1329 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 9076AB [0,1,0,1,0,0|1,0,0]=3 485 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 Y5484 [0,1,0,1,0,0|1,0,1]=4 486 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [0,1,0,1,0,0|1,0,1]=4 487 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 5276AB [0,1,0,1,0,0|2,0,0]=4 488 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W9898 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 9971AH [0,1,0,1,0,0|2,0,0]=4 490 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 9464AH [0,1,0,1,0,0|2,0,0]=4 491 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 Z6326 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 X2091 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.612 CC1=CNC2=CC(Br)=CC=C12 4159AA [0,1,0,1,0,0|0,0,2]=4 494 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 W8404 [0,1,0,1,0,0|1,0,1]=4 495 B12R2.612 CC1=NNC2=C1C=CC(N)=C2 Y5553 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.612 NC1CCC2=CC(Br)=CC=C21 3110AJ [0,1,0,1,0,0|2,0,0]=4 497 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 2234AL [0,1,0,1,0,0|0,0,0]=2 498 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 1027AC [0,1,0,1,0,0|0,0,2]=4 499 B12R2.132 CC1=NNC2=C1C=C(Cl)C=C2 W9692 [0,1,0,1,0,0|1,0,1]=4 500 B12R2.132 CC1=NNC2=C1C=C(N)C=C2 W9336 [0,1,0,1,0,0|1,0,1]=4 501 B12R2.196 OC1CCC2=C1C=CC=C2Br 8482AA [0,1,0,1,0,0|2,0,0]=4 502 B12R2.1282 NC1(C2=CC(F)=CC=C2)CC1 Y1737 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 V6544 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 X3394 [0,1,0,1,0,0|2,0,0]=4 505 B12R2.203 CC1=CNC2=C1C(Br)=CC=C2 Z4780 [0,1,0,1,0,0|0,0,2]=4 506 B8R1.7 CC(C)=C1C=CC=C1 1050AB [1,0,0,0,1,0|0,0,1]=3 507 B8R1.7 CC(C)C1=CC=CO1 U090 [1,0,0,0,1,0|1,0,0]=3 508 B8R1.7 CC(N)C1=COC=C1 2007AB [1,0,0,0,1,0|1,0,0]=3 509 B8R1.7 CC(N)C1=NC=CS1 V9472 [1,0,0,0,1,0|2,0,0]=4 510 B8R1.7 CC(N)C1=NC=CS1 W6267 [1,0,0,0,1,0|2,0,0]=4 511 B8R1.7 CN(C)N1C=CC=C1 1393AQ [1,0,0,0,1,0|2,0,0]=4 512 B8R1.8 NCCC1=CN=CN1 Y9749 [1,0,0,0,1,0|2,0,0]=4 513 B8R1.8 NCCC1=CSC=C1 Y8818 [1,0,0,0,1,0|1,0,0]=3 514 B8R1.8 NCCC1=NC=CS1 Y1661 [1,0,0,0,1,0|2,0,0]=4 515 B8R1.8 NCCC1=NC=CS1 Y8064 [1,0,0,0,1,0|2,0,0]=4 516 B8R1.8 NCCN1C=CN=C1 V2457 [1,0,0,0,1,0|2,0,0]=4 517 B12R1.27 NCC(O)COC1=CC=CC=C1 3219AE [0,0,0,0,0,2|1,0,0]=3 518 B12R1.27 NCC(O)COC1=CC=CC=C1 Z2335 [0,0,0,0,0,2|1,0,0]=3