0 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 5818AB [0,0,0,0,0,0|2,0,1]=3 1 B11R1.22 CC1=CC=C(C(=O)C#N)C=C1 5639AH [0,0,0,0,0,0|2,0,2]=4 2 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 Z5095 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 1635AE [0,0,0,0,0,0|3,0,1]=4 4 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 9986AA [0,0,0,0,0,0|2,0,2]=4 5 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,0,0,0,0,0|3,0,1]=4 6 B11R1.22 CCN(C)C1=CC=C(N)C=C1 9950AH [0,0,0,0,0,0|3,0,1]=4 7 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 6535AL [0,0,0,0,0,0|2,0,2]=4 8 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4163AD [0,0,0,0,0,0|2,0,2]=4 9 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6772 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 Z3623 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 2026AL [0,0,0,0,0,0|3,0,1]=4 12 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [1,0,0,0,0,0|1,0,1]=3 14 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [1,0,0,0,0,0|1,0,0]=2 15 B10R1.1 CCCC1=CC=C(Cl)C=C1 5012AE [1,0,0,0,0,0|2,0,1]=4 16 B10R1.1 CNCC1=CC=C(Br)C=C1 7292AJ [1,0,0,0,0,0|3,0,0]=4 17 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [1,0,0,0,0,0|2,0,0]=3 18 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.1 CNCC1=CC=C(Cl)C=C1 7293AJ [1,0,0,0,0,0|3,0,0]=4 20 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.1 N#CCC1=CC=C(I)C=C1 X2663 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.1 N#CCC1=CC=C(N)C=C1 4180AB [1,0,0,0,0,0|2,0,1]=4 24 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [1,0,0,0,0,0|2,0,1]=4 25 B10R1.1 NNCC1=CC=C(Br)C=C1 3948AE [1,0,0,0,0,0|3,0,0]=4 26 B10R1.1 NNCC1=CC=C(F)C=C1 Z3849 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [1,0,0,0,0,0|3,0,0]=4 28 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [1,0,0,0,0,0|1,0,0]=2 31 B10R1.1 O=CNC1=CC=C(Cl)C=C1 3649AL [1,0,0,0,0,0|2,0,0]=3 32 B10R1.1 O=CNC1=CC=C(F)C=C1 8342AL [1,0,0,0,0,0|2,0,0]=3 33 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.13 CC(=O)C1=CC=C(C)C=N1 7521AB [1,0,0,0,0,0|1,0,1]=3 36 B10R1.13 CC(=O)C1=CC=C(F)N=C1 W8700 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 Z5392 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.13 CC(=O)C1=NC=C(F)C=C1 V9103 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.13 CC(=O)C1=NC=C(O)C=C1 0360AC [1,0,0,0,0,0|2,0,1]=4 41 B10R1.13 CC(Br)C1=CC=C(F)C=C1 9966AB [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 CC(C)C1=CC=C(N)C=N1 Z4708 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 Z2196 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.13 CC(N)C1=CC=C(Br)C=C1 V8869 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 V6495 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 Y9670 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.13 CC(N)C1=CC=C(F)C=C1 V5775 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 CC(O)C1=CC=C(O)C=C1 Z4466 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.13 CC(O)C1=NC=C(Br)C=C1 8022AA [1,0,0,0,0,0|2,0,1]=4 50 B10R1.13 CC1=CC=C(C(=N)N)C=C1 2887AJ [1,0,0,0,0,0|2,0,1]=4 51 B10R1.13 CC1=CC=C(C(C)N)C=C1 8708AB [1,0,0,0,0,0|1,0,0]=2 52 B10R1.13 CC1=CC=C(S(=O)O)C=C1 7653AB [1,0,0,0,0,0|2,0,0]=3 53 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 CC1=CN=C(C(=O)O)C=C1 9308AA [1,0,0,0,0,0|2,0,1]=4 55 B10R1.13 CC1=NC=C(C(C)O)C=C1 0117AA [1,0,0,0,0,0|1,0,1]=3 56 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 6145AJ [1,0,0,0,0,0|2,0,1]=4 57 B10R1.13 CN(C)C1=CC=C(F)C=C1 2692AE [1,0,0,0,0,0|2,0,1]=4 58 B10R1.13 CN(C)C1=CC=C(O)C=C1 Z4951 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 V9278 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CS(=O)C1=CC=C(F)C=C1 7689AJ [1,0,0,0,0,0|2,0,0]=3 61 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 4787AJ [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 X9175 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 W5396 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 1808AC [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 6983AC [1,0,0,0,0,0|1,0,1]=3 67 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 6544AL [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 FC(F)C1=CC=C(Br)C=C1 X0133 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 V6035 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.13 FC1=CC=C(C(F)F)C=C1 8605AD [1,0,0,0,0,0|3,0,0]=4 71 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7847AF [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 F105 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 V3821 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [1,0,0,0,0,0|2,0,1]=4 75 B10R1.15 C=CS(=O)C1=CC=CC=C1 0500AB [1,0,0,0,0,0|3,0,0]=4 76 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,0,0,0,0,0|2,0,1]=4 80 B10R1.15 CN(C=O)C1=NC=CC=C1 0345AC [1,0,0,0,0,0|2,0,0]=3 81 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [1,0,0,0,0,0|3,0,0]=4 83 B10R1.15 CNC(C)C1=CC=NC=C1 5030AD [1,0,0,0,0,0|3,0,0]=4 84 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [1,0,0,0,0,0|3,0,0]=4 85 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [1,0,0,0,0,0|1,0,1]=3 86 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,0,0,0,0,0|2,0,1]=4 87 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [1,0,0,0,0,0|2,0,1]=4 88 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 7913AD [0,1,0,0,0,0|2,0,1]=4 89 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 X9114 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 2572AC [0,1,0,0,0,0|1,0,2]=4 91 B12R1.9 CC(C)(CO)C1=CC=C(N)C=C1 W4047 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 Z3667 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.16 CC1=CC=C(N(C)CCO)C=C1 2784AB [0,1,0,0,0,0|1,0,2]=4 94 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 1258AA [0,1,0,0,0,0|2,0,1]=4 95 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 W8014 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 Z4750 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 6578AH [0,1,0,0,0,0|2,0,0]=3 98 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 W8010 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 D212 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 3574AB [0,1,0,0,0,0|2,0,0]=3 101 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088AE [0,1,0,0,0,0|2,0,1]=4 102 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 W8839 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 W8512 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 W8513 [0,1,0,0,0,0|2,0,1]=4 105 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 9971AH [0,0,0,1,0,0|2,0,1]=4 106 B12R2.612 CC1=CNC2=CC(Br)=CC=C12 4159AA [0,0,0,1,0,0|2,0,1]=4 107 B12R2.612 CN1C=NC2=CC(Br)=CC=C21 V6467 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.612 CN1C=NC2=CC(N)=CC=C21 X8683 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.612 CN1C=NC2=CC(O)=CC=C21 V6275 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 2234AL [0,0,0,1,0,0|2,0,1]=4 111 B9R1.1 C=CC1=CN=C(C)C=C1 Q615 [2,0,0,0,0,0|1,0,1]=4 112 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [2,0,0,0,0,0|0,1,0]=3 113 B9R1.1 CC1=CN=C(C=O)C=N1 Y9267 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.1 CC1=CN=C(CCl)C=C1 Y5002 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.1 CC1=CN=C(CO)C=C1 1457AB [2,0,0,0,0,0|1,0,1]=4 116 B9R1.1 CC1=NC=C(C=O)C=C1 W6750 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.1 CC1=NC=C(C=O)C=N1 W9344 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 CCC1=CC=C(Br)N=C1 0198AB [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 CCC1=CC=C(Cl)C=C1 6872AE [2,0,0,0,0,0|1,0,0]=3 121 B9R1.1 CCC1=CC=C(F)C=C1 W6384 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.1 CCC1=CN=C(N)C=C1 Y5080 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 CCC1=NC=C(Br)C=C1 W5934 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.1 CNC1=CC=C(Br)C=C1 Z5039 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.1 CNC1=CC=C(O)C=C1 V3446 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.1 CSC1=CC=C(C)C=C1 I356 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.1 NC1=NC=C(C=O)C=C1 0819AC [2,0,0,0,0,0|2,0,0]=4 128 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.1 O=CC1=CC=C([O-])C=C1 6126AE [2,0,0,0,0,0|1,0,0]=3 130 B9R1.1 O=CC1=CN=C(F)C=C1 W7817 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.1 O=CC1=NC=C(O)C=C1 Y8673 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.8 C=COC1=CC=CC=C1 1277AQ [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 CSCC1=CC=CC=C1 7914AF [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [2,0,0,0,0,0|1,0,1]=4 135 B9R1.8 ICCC1=CC=CC=C1 4037AL [2,0,0,0,0,0|1,0,1]=4 136 B9R1.8 NCCC1=CC=CC=C1 5784AL [2,0,0,0,0,0|1,0,1]=4 137 B9R1.8 O=S=NC1=CC=CC=C1 8948AJ [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 OCCC1=CC=CC=C1 V0900 [2,0,0,0,0,0|0,0,2]=4 139 B9R1.8 ONCC1=CC=CC=C1 9353AB [2,0,0,0,0,0|1,0,1]=4 140 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [2,0,0,0,0,0|1,0,1]=4 141 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [2,0,0,0,0,0|2,0,0]=4 142 B9R1.6 CC(N)C1=CC=NC=C1 W3800 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.6 CC(N)C1=CC=NC=C1 W6570 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [2,0,0,0,0,0|1,0,1]=4 145 B9R1.6 CP(C)C1=CC=CC=C1 0349AC [2,0,0,0,0,0|1,0,1]=4 146 B9R1.6 C[C@@H](N)C1=CC=NC=C1 4791AJ [2,0,0,0,0,0|2,0,0]=4 147 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [2,0,0,0,0,0|1,0,1]=4 149 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [2,0,0,0,0,0|1,0,1]=4 150 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [2,0,0,0,0,0|2,0,0]=4 151 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [2,0,0,0,0,0|1,0,1]=4 153 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [2,0,0,0,0,0|1,0,1]=4 154 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [2,0,0,0,0,0|1,0,1]=4 155 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.6 O=C(F)C1=CC=CC=C1 3921AE [2,0,0,0,0,0|1,0,1]=4 157 B11R1.1 C=CCCC1=CC=C(F)C=C1 7681AD [1,1,0,0,0,0|2,0,0]=4 158 B11R1.1 C=CCOC1=CC=C(C)C=C1 7037AL [1,1,0,0,0,0|1,0,0]=3 159 B11R1.1 CC1=CC=C(CN=C=O)C=C1 5756AE [1,1,0,0,0,0|0,0,1]=3 160 B11R1.1 CC1=CC=C(CN=C=S)C=C1 Y8894 [1,1,0,0,0,0|0,1,1]=4 161 B11R1.1 CC1=CC=C(OCCN)C=C1 Y8506 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.1 CC1=CC=C(OCCO)C=C1 7911AL [1,1,0,0,0,0|0,0,2]=4 163 B11R1.1 CC1=CC=C(SCC#N)C=C1 1025AB [1,1,0,0,0,0|1,0,1]=4 164 B11R1.1 O=CCCC1=CC=C(Br)C=C1 2565AC [1,1,0,0,0,0|1,0,0]=3 165 B11R1.1 O=CCCC1=CC=C(F)C=C1 W7539 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 Z3580 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 Z3582 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 9287AB [1,1,0,0,0,0|1,0,0]=3 169 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 7126AD [1,1,0,0,0,0|0,0,0]=2 170 B11R1.20 CC(=O)CC1=CC=C(I)C=C1 1094AB [1,1,0,0,0,0|1,0,0]=3 171 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 Q226 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 9364AB [1,1,0,0,0,0|2,0,0]=4 173 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 3597AB [1,1,0,0,0,0|2,0,0]=4 174 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 X3804 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 1638AC [1,1,0,0,0,0|1,0,0]=3 176 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 Y6115 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 6622AD [1,1,0,0,0,0|2,0,0]=4 178 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 V3810 [1,1,0,0,0,0|1,1,0]=4 179 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 1997AC [1,1,0,0,0,0|2,0,0]=4 180 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 5630AH [1,1,0,0,0,0|1,0,0]=3 181 B11R1.81 CC1=CC(Cl)=C(N=C=O)C=C1 2708AE [1,1,0,0,0,0|1,0,1]=4 182 B11R1.81 CC1=CC=C(CCN)C(C)=C1 1998AC [1,1,0,0,0,0|1,0,1]=4 183 B11R1.83 CCC1=CC=C(CNC)C=C1 V6675 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.83 CCCC1=CC=C(CN)C=C1 Z4846 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.83 CCCC1=CC=C(OC)C=C1 5719AF [1,1,0,0,0,0|1,0,1]=4 186 B11R1.83 CNCC1=CC=C(OC)C=C1 W8997 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.83 COC1=CC=C(CC=O)C=C1 8366AB [1,1,0,0,0,0|0,0,0]=2 188 B11R1.83 COC1=CC=C(CNN)C=C1 4174AD [1,1,0,0,0,0|2,0,0]=4 189 B11R1.83 COC1=CC=C(CNN)C=C1 9971AL [1,1,0,0,0,0|2,0,0]=4 190 B11R1.83 COCC1=CC=C(CN)C=C1 6002AA [1,1,0,0,0,0|2,0,0]=4 191 B11R1.83 CSC1=CC=C(CC#N)C=C1 2273AE [1,1,0,0,0,0|1,0,1]=4 192 B11R1.83 OCCC1=CC=C(CO)C=C1 6635AB [1,1,0,0,0,0|0,0,2]=4 193 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 2281AB [1,1,0,0,0,0|1,0,1]=4 194 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [1,1,0,0,0,0|1,0,1]=4 195 B11R1.192 CNCC1=CC(C)=C(C)C=C1 8414AA [1,1,0,0,0,0|2,0,0]=4 196 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 W4698 [1,1,0,0,0,0|0,0,2]=4 197 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 5524AD [1,1,0,0,0,0|0,0,1]=3 198 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O083 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 9791AL [1,1,0,0,0,0|0,0,1]=3 200 B11R1.3 COC1=CC=C(C(C)C)C=C1 X8289 [1,1,0,0,0,0|0,0,1]=3 201 B11R1.3 COC1=CC=C(C(C)N)C=C1 9546AB [1,1,0,0,0,0|1,0,0]=3 202 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 W9359 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 7612AA [1,1,0,0,0,0|0,0,1]=3 204 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 7882AA [1,1,0,0,0,0|0,0,1]=3 205 B11R1.3 COC1=CN=C(C(C)=O)C=C1 V5184 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 D347 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 2990AC [1,1,0,0,0,0|1,0,1]=4 208 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 X5512 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 Z0369 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.19 CC1=CC=C(P(=O)(O)O)C=C1 3952AB [1,1,0,0,0,0|2,0,0]=4 211 B11R1.19 CC1=CC=C(S(=O)(=O)F)C=C1 V6030 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 1016AA [1,1,0,0,0,0|2,0,0]=4 213 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 7009AA [1,1,0,0,0,0|2,0,0]=4 214 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 I689 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X7028 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Z4677 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 8584AL [1,1,0,0,0,0|2,0,0]=4 218 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 8878AL [1,1,0,0,0,0|2,0,0]=4 219 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 8900AL [1,1,0,0,0,0|2,0,0]=4 220 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 9125AL [1,1,0,0,0,0|2,0,0]=4 221 B11R1.19 CC1=CC=C(S(C)(=N)=O)C=C1 9070AJ [1,1,0,0,0,0|1,0,0]=3 222 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 W9850 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 V6556 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 8306AB [1,1,0,0,0,0|1,0,1]=4 225 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 2899AB [1,1,0,0,0,0|1,0,1]=4 226 B11R1.21 CC(=O)C1=CC=C(Br)C(C)=C1 V5550 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 L433 [1,1,0,0,0,0|0,0,1]=3 228 B11R1.21 CC(=O)C1=CC=C(Cl)C(F)=C1 7623AA [1,1,0,0,0,0|1,0,1]=4 229 B11R1.21 CC(=O)C1=CC=C(Cl)C(N)=C1 V7793 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.21 CC(=O)C1=CC=C(F)C(N)=C1 Z6029 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 Z1157 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.21 CC(=O)C1=CC=C(N)C(F)=C1 X8376 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 3701AB [1,1,0,0,0,0|1,0,1]=4 234 B11R1.21 CC(C)C1=CC=C(Cl)C(Br)=C1 Z1055 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.21 CC(C)C1=CC=C(I)C(Br)=C1 Y3499 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.21 CC(N)C1=CC=C(F)C(F)=C1 V4872 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.21 CC(O)C1=CC(Cl)=C(Cl)C=C1 7334AA [1,1,0,0,0,0|1,0,1]=4 238 B11R1.21 CC(O)C1=CC(F)=C(F)C=C1 4919AJ [1,1,0,0,0,0|1,0,1]=4 239 B11R1.21 CC1=C(F)C=C(C(N)=O)C=C1 8761AA [1,1,0,0,0,0|1,0,1]=4 240 B11R1.21 CC1=CC=C(C(N)=O)C=C1C 5611AE [1,1,0,0,0,0|1,0,1]=4 241 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1I X6968 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(Cl)C=C1 1032AL [1,1,0,0,0,0|2,0,0]=4 243 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 3856AB [1,1,0,0,0,0|1,0,1]=4 244 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 2758AC [1,1,0,0,0,0|1,0,1]=4 245 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 2994AB [1,1,0,0,0,0|0,0,1]=3 246 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 4310AA [1,1,0,0,0,0|0,0,1]=3 247 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 0678AC [1,1,0,0,0,0|1,0,1]=4 248 B11R1.166 CC(=O)C1=CC=C(C)C=C1O Y9837 [1,1,0,0,0,0|0,0,1]=3 249 B11R1.166 CC(=O)C1=CC=C(F)C=C1Br Z6300 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.166 CC(=O)C1=CC=C(F)C=C1C X8299 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.166 CC(=O)C1=CC=C(N)C=C1F Y7069 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.166 CC(=O)C1=CC=C(N)C=C1O W4814 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br W7388 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.166 CC(N)C1=CC=C(F)C=C1F 8997AB [1,1,0,0,0,0|2,0,0]=4 255 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 7695AC [1,1,0,0,0,0|1,0,0]=3 256 B11R1.166 CC1=CC=C(C(N)=O)C(O)=C1 V1241 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F W8481 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 X7093 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.7 C=C[Si](C)(C)C1=CC=CC=C1 3917AL [1,1,0,0,0,0|1,1,0]=4 260 B11R1.7 CC(C)(CO)C1=CC=CC=C1 1041AB [1,1,0,0,0,0|0,0,2]=4 261 B11R1.7 CCC(C)(C)C1=CC=CC=C1 0523AB [1,1,0,0,0,0|1,0,1]=4 262 B11R1.12 CCN(N=O)C1=CC=CC=C1 8933AJ [1,1,0,0,0,0|2,0,0]=4 263 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [1,1,0,0,0,0|0,0,2]=4 264 B11R1.12 N#CC(C=O)C1=CC=CC=C1 6061AE [1,1,0,0,0,0|0,0,1]=3 265 B11R1.12 O=CC(C=O)C1=CC=NC=C1 V6307 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,1,0,0,0,0|2,0,0]=4 267 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 8510AJ [1,1,0,0,0,0|0,1,1]=4 268 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 Y7249 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 U801 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C 4191AL [1,1,0,0,0,0|2,0,0]=4 272 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 U170 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 0850AC [1,1,0,0,0,0|1,0,0]=3 274 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 3705AE [1,1,0,0,0,0|1,0,0]=3 275 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 7117AH [1,1,0,0,0,0|1,0,0]=3 276 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 5421AJ [1,1,0,0,0,0|2,0,0]=4 277 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 6492AB [1,1,0,0,0,0|1,0,0]=3 278 B11R1.222 CC(C#N)C1=CC=CC=C1Br V6737 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.222 CC(C#N)C1=CC=CC=C1Cl 1799AC [1,1,0,0,0,0|1,0,1]=4 280 B11R1.222 CC1=CC=CC=C1N(C)C=O 8371AL [1,1,0,0,0,0|1,0,0]=3 281 B11R1.314 CC1=CN(C(C)C(=O)O)N=C1 7192AC [0,1,0,0,1,0|2,0,0]=4 282 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 1979AE [0,1,0,0,0,1|1,0,1]=4 283 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O X6268 [0,1,0,0,0,1|1,0,0]=3 284 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 6328AB [0,1,0,0,0,1|1,0,0]=3 285 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 3218AE [0,1,0,0,0,1|1,0,1]=4 286 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 6767AB [0,1,0,0,0,1|2,0,0]=4 287 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 V6477 [0,1,0,0,0,1|2,0,0]=4 288 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O 1963AL [0,1,0,0,0,1|2,0,0]=4 289 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 7213AH [0,1,0,0,0,1|2,0,0]=4 290 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 V6931 [0,1,0,0,0,1|2,0,0]=4 291 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 4433AA [0,1,0,0,0,1|2,0,0]=4 292 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O Z4989 [0,1,0,0,0,1|2,0,0]=4 293 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 8616AA [0,1,0,0,0,1|2,0,0]=4 294 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 0277AQ [0,1,0,0,0,1|2,0,0]=4 295 B13R1.133 N[C@@H](CC1=CC=C([O-])C=C1)C(=O)[O-] 7352AH [0,1,0,0,0,1|2,0,0]=4 296 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 7300AA [0,1,0,0,0,1|2,0,0]=4 297 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O N794 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 4805AJ [0,1,0,0,0,1|2,0,0]=4 299 B13R1.249 CC1=CC=C(NC(C)(C)C#N)C=C1 7376AC [0,1,0,0,0,1|1,0,1]=4 300 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 0184AB [0,2,0,0,0,0|1,0,0]=3 301 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 X3139 [0,2,0,0,0,0|1,0,0]=3 302 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 4297AH [0,2,0,0,0,0|1,0,1]=4 303 B13R1.187 COC1=CC=C(C(C)(C)C#N)C=C1 7620AB [0,2,0,0,0,0|1,0,1]=4 304 B13R1.522 CC(C)(C(=O)O)C1=CC=C(Br)C=C1 V5172 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.522 CC(N)(C(=O)O)C1=CC=C(F)C=C1 V5075 [0,2,0,0,0,0|1,0,0]=3 306 B13R1.522 CC1=CC=C(C(C)(C)C(=O)O)C=C1 6909AD [0,2,0,0,0,0|0,0,0]=2 307 B13R1.522 O=C(O)C(F)(F)C1=CC=C(Br)C=C1 A710 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.522 O=C(O)C(F)(F)C1=CC=C(Cl)C=C1 V6098 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.522 O=C(O)C(F)(F)C1=CC=C(F)C=C1 5318AJ [0,2,0,0,0,0|2,0,0]=4 310 B13R1.331 O=CC(C=O)C1=CC=C(Cl)C(Cl)=C1 0651AF [0,2,0,0,0,0|1,0,1]=4 311 B13R1.706 CC1=CC=C([C@@H](CN)C(=O)O)C=C1 W6459 [0,2,0,0,0,0|0,0,0]=2 312 B13R1.706 NC[C@H](C(=O)O)C1=CC=C(Br)C=C1 W6460 [0,2,0,0,0,0|1,0,0]=3 313 B13R1.706 NC[C@H](C(=O)O)C1=CC=C(F)C=C1 W3317 [0,2,0,0,0,0|1,0,0]=3 314 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 W7844 [0,2,0,0,0,0|1,0,0]=3 315 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 X2701 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 W5439 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 8862AE [0,2,0,0,0,0|2,0,0]=4 318 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Z5813 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 X9800 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 Z5662 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.163 NC(C(=O)O)C1=CC=C(F)C=C1F Y8397 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.510 CC1=C(F)C=CC(C(N)C(=O)O)=C1 8689AD [0,2,0,0,0,0|2,0,0]=4 323 B13R1.510 O=C(O)C(O)C1=CC(O)=C(O)C=C1 7789AL [0,2,0,0,0,0|2,0,0]=4 324 B13R1.510 O=C(O)C(O)C1=CC=C(F)C(F)=C1 F066 [0,2,0,0,0,0|2,0,0]=4 325 B11R2.36 BrC1=CC=C2CC=CC2=C1 1731AC [1,0,0,1,0,0|2,0,0]=4 326 B11R2.36 CC1=CC2=C(C=C1)CCN2 3678AC [1,0,0,1,0,0|1,0,1]=4 327 B11R2.36 CC1=CC=C2C=CSC2=C1 W3607 [1,0,0,1,0,0|0,1,1]=4 328 B11R2.36 CC1=CC=C2SC=CC2=C1 Y7528 [1,0,0,1,0,0|2,0,0]=4 329 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [1,0,0,1,0,0|1,0,1]=4 330 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [1,0,0,1,0,0|0,0,2]=4 331 B11R2.1 CC1=CSC2=CC=CC=C12 I293 [1,0,0,1,0,0|0,1,1]=4 332 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [1,0,0,1,0,0|1,0,1]=4 333 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [1,0,0,1,0,0|1,0,1]=4 334 B11R2.40 CC1(C2=CC=CC=C2)CO1 5786AL [1,0,0,1,0,0|0,0,2]=4 335 B13R2.1069 CC1=CC=C(OC2CNC2)C=C1 2579AD [0,0,0,1,0,1|1,0,1]=4 336 B13R2.3028 CC1CC2=C(C=C(Cl)C=C2)C1=O 4125AB [0,0,0,1,0,1|1,0,0]=3 337 B13R2.3683 CC1=CC2=CC=C(C)N=C2C=C1 3958AC [0,0,0,1,0,1|1,0,1]=4 338 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 8599AB [0,0,0,1,0,1|1,0,1]=4 339 B13R2.2130 CN1C=NC2=C1C=CC(CO)=C2 2529AA [0,1,0,1,0,0|2,0,0]=4 340 B13R2.12 CC1=CC=C(C2CCCN2)C=C1 W7459 [0,1,0,1,0,0|1,0,1]=4 341 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 2077AB [0,1,0,1,0,0|1,0,0]=3 342 B13R2.5187 CC1=CC=C2C(=O)NC(=O)C2=C1 0670AP [0,1,0,1,0,0|1,0,1]=4 343 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 8001AE [0,1,0,1,0,0|2,0,0]=4 344 B11R0.106 C\C(C=O)=C/C=C/C=C(\C)C=O 4034AL [0,0,1,0,0,1|1,0,1]=4 345 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [1,0,0,0,0,1|0,0,2]=4