0 B10R1.15 C#CC(=O)C1=CC=CC=C1 0047AQ [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.15 CCC(=O)C1=CC=NC=C1 8726AA [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CN(N=O)C1=CC=CC=C1 8617AL [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [0,0,0,0,0,0|0,0,0]=0 11 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 O=C(CCl)C1=CC=NC=C1 5498AJ [0,0,0,0,0,0|3,0,1]=4 25 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,0,0,0,0,0|2,0,2]=4 26 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.6 CN(C)C1=CC=NC=C1 6487AL [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 CN(C)C1=NC=NC=C1 3385AB [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [1,0,0,0,0,0|2,0,0]=3 36 B9R1.6 C[C@H](N)C1=CC=NC=C1 4830AJ [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 FC(F)C1=CC=NC=C1 0239AF [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 N=C(N)C1=CC=CC=C1 9278AB [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,0,0,0,0|1,0,2]=4 49 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 N#CC[N+]1=CC=CC=C1 8359AL [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 NCCC1=CC=CN=C1 5033AC [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,0,0,0,0,0|3,0,0]=4 56 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 OCCC1=NC=CN=C1 Z5014 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 0023AQ [1,0,0,0,0,0|3,0,0]=4 60 B11R1.7 C=C[Si](C)(Cl)C1=CC=CC=C1 0115AQ [0,1,0,0,0,0|1,1,1]=4 61 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 3361AA [0,1,0,0,0,0|1,0,1]=3 62 B11R1.7 CC(C)(C#N)C1=CC=NC=C1 9873AE [0,1,0,0,0,0|2,0,1]=4 63 B11R1.7 CC(C)(CN)C1=CC=CC=C1 0879AB [0,1,0,0,0,0|1,0,0]=2 64 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Y6483 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4663AH [0,1,0,0,0,0|1,0,0]=2 66 B11R1.7 CCC(F)(F)C1=CC=CC=C1 9060AE [0,1,0,0,0,0|2,0,0]=3 67 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 M421 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 Y7004 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.7 NCC(F)(F)C1=NC=CC=C1 2429AB [0,1,0,0,0,0|3,0,0]=4 70 B11R1.12 CCC(CC)C1=NC=CC=C1 5008AL [0,1,0,0,0,0|2,0,0]=3 71 B11R1.12 CCC(CN)C1=CC=CC=C1 V4239 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.12 CCC(NC)C1=CC=CC=C1 8595AL [0,1,0,0,0,0|1,0,0]=2 73 B11R1.12 CCC(NN)C1=CC=CC=C1 8342AH [0,1,0,0,0,0|2,0,0]=3 74 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 3045AC [0,1,0,0,0,0|0,0,0]=1 75 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,1,0,0,0,0|0,0,0]=1 76 B11R1.16 C#CCC(N)C1=CC=CC=C1 2882AA [0,1,0,0,0,0|2,0,0]=3 77 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [0,1,0,0,0,0|2,0,0]=3 78 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [0,1,0,0,0,0|1,0,0]=2 79 B11R1.16 CC(N=C=O)C1=CC=CC=C1 6171AD [0,1,0,0,0,0|0,0,2]=3 80 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [0,1,0,0,0,0|3,0,0]=4 81 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [0,1,0,0,0,0|3,0,0]=4 82 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [0,1,0,0,0,0|3,0,0]=4 83 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [0,1,0,0,0,0|1,0,0]=2 84 B11R1.16 CN(CCN)C1=CC=CC=C1 5337AD [0,1,0,0,0,0|2,0,0]=3 85 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [0,1,0,0,0,0|1,0,0]=2 86 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [0,1,0,0,0,0|1,0,0]=2 87 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 N#CCC(N)C1=NC=CC=C1 Z9347 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.22 CC(C#N)C1=CC=C(N)C=C1 2826AB [0,1,0,0,0,0|1,0,1]=3 90 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 7936AB [0,1,0,0,0,0|2,0,1]=4 91 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,1,0,0,0,0|2,0,0]=3 92 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,1,0,0,0,0|2,0,0]=3 93 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 8372AL [0,1,0,0,0,0|1,0,2]=4 94 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 1437AL [0,1,0,0,0,0|2,0,1]=4 95 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 1643AC [0,1,0,0,0,0|2,0,0]=3 96 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,1,0,0,0,0|2,0,0]=3 97 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [0,1,0,0,0,0|2,0,0]=3 98 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [0,1,0,0,0,0|2,0,0]=3 99 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [0,1,0,0,0,0|2,0,0]=3 100 B11R1.22 CCN(N)C1=CC=C(C)C=C1 4836AL [0,1,0,0,0,0|3,0,0]=4 101 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,1,0,0,0,0|2,0,0]=3 102 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.22 CNC(C)C1=CC=C(F)C=C1 5899AE [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,1,0,0,0,0|2,0,0]=3 106 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 6594AD [0,1,0,0,0,0|1,0,1]=3 107 B11R1.22 ClC1=CC=C(C(Br)CBr)C=C1 0999AQ [0,1,0,0,0,0|2,0,0]=3 108 B11R1.22 N=C(NO)C1=CC=C(Br)C=C1 9499AJ [0,1,0,0,0,0|2,0,1]=4 109 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 2630AL [0,1,0,0,0,0|2,0,1]=4 110 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [0,1,0,0,0,0|2,0,1]=4 111 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [0,1,0,0,0,0|2,0,0]=3 113 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [0,1,0,0,0,0|2,0,0]=3 114 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 W6566 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 W7901 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 9573AB [0,1,0,0,0,0|2,0,1]=4 117 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 Y8738 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 3895AB [0,1,0,0,0,0|1,0,1]=3 119 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [0,1,0,0,0,0|1,0,1]=3 120 B11R1.22 OCC(Cl)C1=CC=C(Cl)C=C1 2030AL [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 5554AC [0,1,0,0,0,0|1,0,0]=2 122 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 9497AJ [0,1,0,0,0,0|2,0,1]=4 124 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 2731AB [0,1,0,0,0,0|2,0,1]=4 125 B11R1.23 CC(CO)C1=CC=CC(=O)C1 W6317 [0,1,0,0,0,0|0,0,1]=2 126 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 7064AB [0,1,0,0,0,0|2,0,1]=4 127 B11R1.23 CC1=CC=CC(C(O)CN)=C1 7583AB [0,1,0,0,0,0|2,0,0]=3 128 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 2535AE [0,1,0,0,0,0|2,0,0]=3 129 B11R1.23 CCC(N)C1=CC(N)=CC=C1 1913AJ [0,1,0,0,0,0|2,0,0]=3 130 B11R1.23 CCC(N)C1=NC=CC(C)=C1 9648AC [0,1,0,0,0,0|3,0,0]=4 131 B11R1.23 CCS(=O)C1=CC(Br)=CC=C1 V3491 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 X9176 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 9082AH [0,1,0,0,0,0|2,0,0]=3 134 B11R1.23 N=C(NO)C1=CC=CC(Br)=C1 V3789 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.23 N=C(NO)C1=CC=CC(Cl)=C1 W4576 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 3155AH [0,1,0,0,0,0|1,0,0]=2 137 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 9285AB [0,1,0,0,0,0|2,0,1]=4 138 B11R1.23 NCC(=O)C1=CC(F)=CC=C1 5755AC [0,1,0,0,0,0|2,0,1]=4 139 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 V2280 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 2712AC [0,1,0,0,0,0|2,0,0]=3 141 B11R1.23 NCC(O)C1=CC(F)=CC=C1 5405AB [0,1,0,0,0,0|2,0,0]=3 142 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 N836 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 7664AB [0,1,0,0,0,0|2,0,1]=4 144 B11R1.23 OCC(Cl)C1=CC=CC(Cl)=C1 2029AL [0,1,0,0,0,0|1,0,0]=2 145 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 X3148 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 6985AA [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 O\N=C(/Cl)C1=CC(Br)=CC=C1 9462AJ [0,1,0,0,0,0|2,0,1]=4 148 B11R1.23 O\N=C(/Cl)C1=CC(F)=CC=C1 9466AJ [0,1,0,0,0,0|2,0,1]=4 149 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 E850 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,1,0,0,0,0|2,0,0]=3 151 B11R1.36 CC(C)C(N)C1=CC=CC=N1 9319AH [0,1,0,0,0,0|3,0,0]=4 152 B11R1.36 CC(C)C(N)C1=CC=NC=C1 1775AJ [0,1,0,0,0,0|3,0,0]=4 153 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,0,0,0,0|1,0,2]=4 156 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 Z5933 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl L006 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 2418AE [0,1,0,0,0,0|2,0,1]=4 159 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,0,0|1,0,1]=3 160 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2680AE [0,1,0,0,0,0|2,0,1]=4 161 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.222 CC[C@H](N)C1=CC=CC=C1Cl W8965 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.222 N=C(NO)C1=C(Br)C=CC=C1 9398AJ [0,1,0,0,0,0|2,0,1]=4 165 B11R1.222 N=C(NO)C1=CC=CC=C1Cl 9402AJ [0,1,0,0,0,0|2,0,1]=4 166 B11R1.222 NC1=CC=CC=C1C(=O)NO 5665AE [0,1,0,0,0,0|2,0,1]=4 167 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 5504AB [0,1,0,0,0,0|2,0,0]=3 168 B11R1.222 NCC(O)C1=CC=CC=C1F 3587AB [0,1,0,0,0,0|2,0,0]=3 169 B11R1.222 N\C(=N\O)C1=CC=CC=C1F 9412AJ [0,1,0,0,0,0|2,0,1]=4 170 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [0,1,0,0,0,0|1,0,1]=3 171 B11R1.222 O\N=C(/Cl)C1=C(Br)C=CC=C1 9397AJ [0,1,0,0,0,0|2,0,1]=4 172 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [0,0,0,1,0,0|1,0,2]=4 173 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [0,0,0,1,0,0|2,0,1]=4 174 B11R2.1 NC1CCC2=C1N=CC=C2 9677AA [0,0,0,1,0,0|3,0,0]=4 175 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,0,0,1,0,0|1,0,0]=2 177 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,0,0,1,0,0|1,0,0]=2 178 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [0,0,0,1,0,0|2,0,1]=4 179 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [0,0,0,1,0,0|2,0,0]=3 180 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,0,0,1,0,0|3,0,0]=4 181 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [0,0,0,1,0,0|1,0,0]=2 182 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8297AH [0,0,0,1,0,0|1,0,0]=2 183 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [0,0,0,1,0,0|1,0,0]=2 184 B11R2.40 NC1(C2=CN=CC=C2)CC1 6906AB [0,0,0,1,0,0|3,0,0]=4 185 B11R2.40 NC1(C2=NC=CC=C2)CC1 6037AB [0,0,0,1,0,0|3,0,0]=4 186 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [0,0,0,1,0,0|0,0,2]=3 187 B9R1.11 CC(CO)N1C=CC=N1 6461AD [0,0,0,0,1,0|2,0,0]=3 188 B9R1.11 CC(CO)N1C=CN=C1 6460AD [0,0,0,0,1,0|2,0,0]=3 189 B9R1.11 CC(CO)N1C=NC=N1 9649AC [0,0,0,0,1,0|3,0,0]=4 190 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,0,0,0,0,1|2,0,1]=4 191 B11R1.40 CC(C#N)NC1=CC=CC=C1 5308AJ [0,0,0,0,0,1|1,0,1]=3 192 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,0,0,0,0,1|1,0,0]=2 193 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [0,0,0,0,0,1|1,0,0]=2 194 B11R1.40 CC(CN)OC1=CC=CN=C1 2002AF [0,0,0,0,0,1|2,0,0]=3 195 B11R1.40 CCC(=O)OC1=CC=CC=C1 8795AL [0,0,0,0,0,1|2,0,1]=4 196 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 5715AL [0,0,0,0,0,1|0,0,1]=2 197 B11R1.40 N#CC(F)SC1=CC=CC=C1 7940AL [0,0,0,0,0,1|2,0,1]=4 198 B11R1.40 NCC(=O)NC1=CC=CC=C1 4165AE [0,0,0,0,0,1|2,0,1]=4 199 B8R1.2 BrCC1=CC=NC=C1 V2331 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|1,0,0]=3 202 B8R1.2 FCC1=CC=NC=C1 2557AL [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 ICC1=CN=CC=C1 5715AJ [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|1,0,0]=3 205 B8R1.2 NOC1=CC=CC=C1 X4801 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 O=[As]C1=CC=CC=C1 7620AF [2,0,0,0,0,0|1,0,1]=4 207 B8R1.2 ONC1=CC=CC=C1 0019AQ [2,0,0,0,0,0|1,0,0]=3 208 B8R1.2 SCC1=CC=CN=C1 Z2753 [2,0,0,0,0,0|1,1,0]=4 209 B10R1.13 C=C(C)C1=CC=C(C)C=C1 3347AA [1,1,0,0,0,0|0,0,2]=4 210 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [1,1,0,0,0,0|0,0,2]=4 211 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [1,1,0,0,0,0|0,0,2]=4 212 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 1606AL [1,1,0,0,0,0|1,0,0]=3 213 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [1,1,0,0,0,0|1,0,0]=3 214 B10R1.13 CC(C)C1=CC=C(S)C=C1 L740 [1,1,0,0,0,0|0,0,0]=2 215 B10R1.13 CC(C)C1=CN=C(N)C=C1 W7287 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [1,1,0,0,0,0|1,0,0]=3 217 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,1,0,0,0,0|1,0,0]=3 218 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [1,1,0,0,0,0|2,0,0]=4 219 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [1,1,0,0,0,0|2,0,0]=4 220 B10R1.13 CC(O)C1=NC=C(F)C=N1 W9323 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [1,1,0,0,0,0|2,0,0]=4 222 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [1,1,0,0,0,0|2,0,0]=4 223 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 5443AB [1,1,0,0,0,0|1,0,0]=3 224 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 N143 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [1,1,0,0,0,0|0,0,2]=4 226 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 6241AL [1,1,0,0,0,0|2,0,0]=4 227 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 6486AL [1,1,0,0,0,0|2,0,0]=4 228 B10R1.13 CN(C)C1=NC=C(N)C=C1 6679AB [1,1,0,0,0,0|2,0,0]=4 229 B10R1.13 CN(C)C1=NC=C(N)C=C1 W5002 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 X4561 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 0354AA [1,1,0,0,0,0|0,0,0]=2 233 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [1,1,0,0,0,0|1,0,0]=3 234 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [1,1,0,0,0,0|0,0,0]=2 235 B10R1.13 NC1=CC=C(C(F)F)C=C1 Z1981 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [1,1,0,0,0,0|2,0,0]=4 237 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [1,1,0,0,0,0|2,0,0]=4 238 B10R1.28 CC(C)(N)C1=CC=NC=C1 5311AJ [1,1,0,0,0,0|1,0,0]=3 239 B10R1.28 CC(F)(F)C1=CC=NC=C1 9493AC [1,1,0,0,0,0|2,0,0]=4 240 B10R1.28 CC(F)(F)C1=CN=CC=C1 9489AC [1,1,0,0,0,0|2,0,0]=4 241 B10R1.28 CC(F)(F)C1=NC=CC=C1 9488AC [1,1,0,0,0,0|2,0,0]=4 242 B10R1.28 C[Sn](C)(C)C1=CC=CC=N1 9304AL [1,1,0,0,0,0|2,0,0]=4 243 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 Z8042 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [1,1,0,0,0,0|0,0,2]=4 245 B10R1.61 CC(Br)C1=CC=CC=C1F Y9030 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.61 CC(C)C1=C(Br)C=NC=N1 V9534 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 0417AA [1,1,0,0,0,0|2,0,0]=4 248 B10R1.61 CC(N)C1=CC=CC=C1Br Z7493 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 6296AA [1,1,0,0,0,0|0,0,0]=2 250 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [1,1,0,0,0,0|1,0,0]=3 251 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [1,1,0,0,0,0|0,0,0]=2 252 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [1,1,0,0,0,0|1,0,0]=3 253 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [1,1,0,0,0,0|2,0,0]=4 254 B10R1.61 CN(C)C1=C(Br)C=NC=C1 2989AC [1,1,0,0,0,0|2,0,0]=4 255 B10R1.61 CN(C)C1=C(N)C=CC=N1 4383AE [1,1,0,0,0,0|2,0,0]=4 256 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [1,1,0,0,0,0|1,0,1]=4 257 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 8346AH [1,1,0,0,0,0|1,0,0]=3 259 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br 2344AA [1,1,0,0,0,0|1,0,0]=3 260 B10R1.61 C[C@@H](N)C1=CC=CC=C1F X9177 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 N446 [1,1,0,0,0,0|0,0,0]=2 262 B10R1.61 C[C@H](N)C1=CC=CC=C1Br Z4151 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 8791AA [1,1,0,0,0,0|0,0,0]=2 264 B10R1.61 C[C@H](O)C1=CC=CC=C1Br N448 [1,1,0,0,0,0|0,0,0]=2 265 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [1,1,0,0,0,0|1,0,0]=3 266 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 Y3806 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.113 CC(C)C1=CC=NC(O)=N1 3007AD [1,1,0,0,0,0|2,0,0]=4 269 B10R1.113 CC(C)C1=NC(Cl)=NC=C1 V9367 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 6890AC [1,1,0,0,0,0|1,0,0]=3 271 B10R1.113 CC(C)C1=NC=CC(N)=N1 2378AA [1,1,0,0,0,0|2,0,0]=4 272 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 V5733 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.113 CC1=CC(C(C)N)=NC=C1 5999AE [1,1,0,0,0,0|2,0,0]=4 275 B10R1.113 CC1=CC(N(C)C)=NC=C1 0347AB [1,1,0,0,0,0|2,0,0]=4 276 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [1,1,0,0,0,0|0,0,0]=2 277 B10R1.113 CC1=NC(C(C)N)=CC=C1 9513AH [1,1,0,0,0,0|2,0,0]=4 278 B10R1.113 CN(C)C1=CC=CC(Cl)=N1 8284AC [1,1,0,0,0,0|2,0,0]=4 279 B10R1.113 CN(C)C1=CC=CC(N)=C1 2773AB [1,1,0,0,0,0|1,0,0]=3 280 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 W5401 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 Z5107 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 3482AA [1,1,0,0,0,0|0,0,0]=2 283 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [1,1,0,0,0,0|0,0,0]=2 284 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 6219AA [1,1,0,0,0,0|0,0,0]=2 286 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 5244AA [1,1,0,0,0,0|0,0,0]=2 287 B10R1.113 FC1=CC(C(Br)Br)=CC=C1 O150 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.113 FC1=CC=CC(C(F)F)=C1 8582AD [1,1,0,0,0,0|2,0,0]=4 289 B10R1.1 C=CCC1=CC=C(C)C=C1 1127AQ [1,1,0,0,0,0|1,0,1]=4 290 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [1,1,0,0,0,0|1,0,1]=4 291 B10R1.1 CC1=CC=C(CNN)C=C1 8497AC [1,1,0,0,0,0|2,0,0]=4 292 B10R1.1 CC1=CC=C(SCCl)C=C1 7374AL [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 CC1=NC=C(CCO)C=C1 0118AA [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|1,0,0]=3 295 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,1,0,0,0,0|1,0,0]=3 296 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [1,1,0,0,0,0|2,0,0]=4 297 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [1,1,0,0,0,0|2,0,0]=4 298 B10R1.1 CNCC1=CC=C(N)C=C1 Q169 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,1,0,0,0,0|2,0,0]=4 300 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [1,1,0,0,0,0|2,0,0]=4 302 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [1,1,0,0,0,0|2,0,0]=4 303 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 4986AB [1,1,0,0,0,0|1,0,1]=4 304 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [1,1,0,0,0,0|1,0,1]=4 305 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|1,0,1]=4 306 B10R1.4 C=CCC1=CC=CC=C1Br 0424AQ [1,1,0,0,0,0|1,0,1]=4 307 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [1,1,0,0,0,0|2,0,0]=4 308 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|2,0,0]=4 309 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|1,0,0]=3 310 B10R1.4 CCNC1=C(N)C=CC=C1 8052AD [1,1,0,0,0,0|2,0,0]=4 311 B10R1.4 CCSC1=CC=CC=C1Br I195 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.4 NCCC1=CC=CC=C1N W6472 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.4 NNCC1=CC=CC=C1Cl 3182AF [1,1,0,0,0,0|2,0,0]=4 314 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [1,1,0,0,0,0|2,0,0]=4 315 B10R1.4 NNCC1=CC=CC=C1F W6669 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|2,0,0]=4 317 B10R1.4 ONCC1=CC=CC=C1F Z3766 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.4 O\N=C\C1=C(F)C=CC=C1 6229AB [1,1,0,0,0,0|1,0,1]=4 319 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [1,1,0,0,0,0|1,0,1]=4 320 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [1,1,0,0,0,0|1,0,0]=3 321 B10R1.10 CC1=NC(CCN)=CC=C1 X7037 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [1,1,0,0,0,0|1,0,0]=3 323 B10R1.10 CCCC1=CC(O)=CC=N1 2583AA [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [1,1,0,0,0,0|2,0,0]=4 326 B10R1.10 NCCC1=CC(N)=CC=C1 1934AJ [1,1,0,0,0,0|1,0,0]=3 327 B10R1.10 NCCC1=CC(N)=CC=C1 4022AC [1,1,0,0,0,0|1,0,0]=3 328 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 NCCC1=CC=CC(O)=C1 E330 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [1,1,0,0,0,0|2,0,0]=4 332 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,1,0,0,0,0|2,0,0]=4 333 B10R1.10 O=C1C=C(CCO)C=CC1 V0891 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [1,1,0,0,0,0|0,0,2]=4 335 B10R1.10 OCCC1=CC=NC(Cl)=C1 1041AJ [1,1,0,0,0,0|1,0,0]=3 336 B10R1.10 O\N=C\C1=CC(Cl)=CC=C1 5550AC [1,1,0,0,0,0|1,0,1]=4 337 B10R1.10 O\N=C\C1=CC(O)=CC=C1 7611AD [1,1,0,0,0,0|1,0,1]=4 338 B10R1.17 CCCCC1=CC=CN=C1 X7086 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.17 CCCCC1=NC=CC=C1 S413 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.17 CNCCC1=CC=CN=C1 7424AH [1,1,0,0,0,0|2,0,0]=4 342 B10R1.17 CNCCC1=CC=NC=C1 5552AE [1,1,0,0,0,0|2,0,0]=4 343 B10R1.17 CNCCC1=CC=NC=C1 X8552 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.17 CNCCC1=CN=CC=C1 6627AD [1,1,0,0,0,0|2,0,0]=4 345 B10R1.17 COCCC1=NC=CC=C1 4987AL [1,1,0,0,0,0|1,0,0]=3 346 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [1,1,0,0,0,0|2,0,0]=4 347 B10R1.17 N#CCCC1=CC=NC=C1 2937AC [1,1,0,0,0,0|2,0,0]=4 348 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [1,1,0,0,0,0|1,0,1]=4 349 B10R1.17 NCCCC1=CC=CC=N1 7820AA [1,1,0,0,0,0|2,0,0]=4 350 B10R1.17 NCCNC1=CC=CC=N1 1624AC [1,1,0,0,0,0|2,0,0]=4 351 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [1,1,0,0,0,0|2,0,0]=4 352 B10R1.17 NCCOC1=CC=CN=C1 Z4583 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.17 NCCOC1=CC=NC=C1 1280AJ [1,1,0,0,0,0|2,0,0]=4 354 B10R1.17 NCCOC1=CC=NC=C1 2194AB [1,1,0,0,0,0|2,0,0]=4 355 B10R1.17 NCCSC1=CC=CC=C1 6800AD [1,1,0,0,0,0|1,0,0]=3 356 B10R1.17 NCCSC1=CC=CC=N1 3135AE [1,1,0,0,0,0|2,0,0]=4 357 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,1,0,0,0,0|0,0,2]=4 358 B10R1.17 OCC#CC1=CC=CC=N1 5627AJ [1,1,0,0,0,0|1,0,1]=4 359 B10R1.17 OCCCC1=NC=CC=C1 5625AJ [1,1,0,0,0,0|1,0,0]=3 360 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [1,1,0,0,0,0|1,0,1]=4 361 B10R1.18 CC(C)CC1=CC=CC=N1 9571AB [1,1,0,0,0,0|2,0,0]=4 362 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [1,1,0,0,0,0|2,0,0]=4 363 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [1,1,0,0,0,0|2,0,0]=4 364 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [1,1,0,0,0,0|1,0,0]=3 365 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,1,0,0,0,0|0,0,0]=2 366 B10R1.18 C[C@H](O)CC1=CC=CC=C1 7611AA [1,1,0,0,0,0|0,0,0]=2 367 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [1,1,0,0,0,0|1,0,1]=4 368 B10R1.18 NC(=S)CC1=CC=CC=C1 7353AE [1,1,0,0,0,0|0,1,1]=4 369 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,1,0,0,1,0|1,0,1]=4 371 B10R1.23 CC(C(=O)O)N1C=CC=C1 9754AB [0,1,0,0,1,0|1,0,1]=4 372 B12R1.32 CN(CC#N)CC1=CC=CC=C1 1817AL [0,1,0,0,0,1|2,0,0]=4 373 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [0,1,0,0,0,1|0,0,2]=4 374 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,0,1|1,0,1]=4 375 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,1,0,0,0,1|0,0,1]=3 376 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [0,1,0,0,0,1|1,0,1]=4 377 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,0,1|1,0,1]=4 378 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,1,0,0,0,1|1,0,1]=4 379 B12R1.49 CC(CN)OC1=CC=C(F)C=C1 8141AC [0,1,0,0,0,1|1,0,0]=3 380 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 7330AE [0,1,0,0,0,1|1,0,0]=3 381 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 6254AE [0,1,0,0,0,1|1,0,0]=3 382 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [0,1,0,0,0,1|1,0,0]=3 383 B12R1.50 CCC(C)OC1=CC(N)=CC=C1 7479AE [0,1,0,0,0,1|1,0,0]=3 384 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,1,0,0,0,1|1,0,0]=3 385 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 7424AD [0,1,0,0,0,1|1,0,1]=4 386 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 7249AE [0,1,0,0,0,1|0,0,2]=4 387 B12R1.371 CCC(C)NC1=C(N)C=CC=N1 7861AC [0,1,0,0,0,1|2,0,0]=4 388 B12R1.9 CC(C)(CN)C1=CC=C(Cl)C=C1 Z6247 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.10 CC(C)(CN)C1=CC(F)=CC=C1 5118AD [0,2,0,0,0,0|1,0,0]=3 390 B12R1.10 CC(C)(CN)C1=CC=CC(Br)=C1 V2548 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.10 CC(C)(CN)C1=CC=CC(Cl)=C1 Z9885 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.10 CC(C)(CN)C1=CC=CC(F)=C1 V2830 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.195 CC(C)(C=O)C1=C(Cl)C=CC=C1 6615AB [0,2,0,0,0,0|0,0,2]=4 394 B12R1.195 CC(C)(CN)C1=CC=CC=C1F 5117AD [0,2,0,0,0,0|1,0,0]=3 395 B12R1.195 CC(C)(CN)C1=CC=CC=C1F V2495 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.475 C#CC(O)(CC)C1=CC=CC=C1 2475AL [0,2,0,0,0,0|1,0,1]=4 397 B12R1.475 CCC(N)(CC)C1=CC=CC=C1 X8702 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.3 CCN(CCCl)C1=CC=CC=C1 P899 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 1422AA [0,2,0,0,0,0|0,0,0]=2 400 B12R1.12 CCC(NO)=C1C=CC(=O)C=C1 3821AD [0,2,0,0,0,0|1,0,1]=4 401 B12R1.13 CC1=CC(C(CN)CO)=CC=C1 W7845 [0,2,0,0,0,0|0,0,0]=2 402 B12R1.243 CCN(CC)C1=C(Cl)C=CC=C1 5580AL [0,2,0,0,0,0|2,0,0]=4 403 B12R1.243 CCN(CC)C1=C(N)C=CC=C1 6418AD [0,2,0,0,0,0|2,0,0]=4 404 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,2,0,0,0,0|0,0,0]=2 405 B12R1.478 CN(C)C(CN)C1=CN=CC=C1 4474AH [0,2,0,0,0,0|2,0,0]=4 406 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 7562AH [0,2,0,0,0,0|0,0,1]=3 407 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 6032AB [0,2,0,0,0,0|0,0,1]=3 408 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 0283AA [0,2,0,0,0,0|0,0,1]=3 409 B12R1.16 BrCCC(Br)C1=CC=C(Br)C=C1 8745AB [0,2,0,0,0,0|2,0,0]=4 410 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 1218AL [0,2,0,0,0,0|1,0,0]=3 411 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 O745 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.16 ClC(CCBr)C1=CC=C(Br)C=C1 4041AB [0,2,0,0,0,0|2,0,0]=4 413 B12R1.16 ClC1=CC=C(C(Br)CCBr)C=C1 V4103 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 5784AJ [0,2,0,0,0,0|1,0,0]=3 415 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 W7847 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 2347AL [0,2,0,0,0,0|1,0,0]=3 417 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 1318AL [0,2,0,0,0,0|1,0,0]=3 418 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 1295AL [0,2,0,0,0,0|1,0,0]=3 419 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 4351AH [0,2,0,0,0,0|1,0,0]=3 420 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 5738AJ [0,2,0,0,0,0|1,0,1]=4 421 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 7812AL [0,2,0,0,0,0|2,0,0]=4 422 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 2346AL [0,2,0,0,0,0|1,0,0]=3 423 B12R1.17 NC(CCO)C1=CC(O)=CC=C1 2221AL [0,2,0,0,0,0|1,0,0]=3 424 B12R1.17 NC(CCO)C1=CC=CC(Br)=C1 2345AL [0,2,0,0,0,0|1,0,0]=3 425 B12R1.17 NC(CCO)C1=CC=CC(O)=C1 2190AL [0,2,0,0,0,0|1,0,0]=3 426 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 1293AL [0,2,0,0,0,0|1,0,0]=3 427 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 2547AC [0,2,0,0,0,0|0,0,0]=2 428 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.107 CC(C)NC(C)C1=CC=CC=C1 W4133 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 V7228 [0,2,0,0,0,0|0,1,1]=4 432 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 0890AC [0,2,0,0,0,0|2,0,0]=4 433 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [0,2,0,0,0,0|2,0,0]=4 434 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [0,2,0,0,0,0|0,0,2]=4 435 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 7786AA [0,2,0,0,0,0|2,0,0]=4 436 B12R1.308 NC(CCO)C1=C(Cl)C=CC=C1 9685AC [0,2,0,0,0,0|1,0,0]=3 437 B12R1.308 N[C@@H](CCO)C1=CC=CC=C1Cl 1292AL [0,2,0,0,0,0|1,0,0]=3 438 B12R1.5 CCN(C)C1=CC=C(C=O)C=C1 5546AH [0,2,0,0,0,0|2,0,0]=4 439 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 2924AE [0,2,0,0,0,0|1,0,1]=4 440 B12R1.5 COC1=CC=C(C(O)CN)C=C1 5057AH [0,2,0,0,0,0|2,0,0]=4 441 B12R1.20 CC(C)C(N)C1=CC=C(F)C=C1 0986AF [0,2,0,0,0,0|2,0,0]=4 442 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 3800AA [0,2,0,0,0,0|2,0,0]=4 443 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 3802AA [0,2,0,0,0,0|2,0,0]=4 444 B12R1.20 CC(C1=CC=C(Br)C=C1)N(C)C 4167AD [0,2,0,0,0,0|2,0,0]=4 445 B12R1.20 CC(N)C(O)C1=CC=C(O)C=C1 V1268 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 V7421 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [0,2,0,0,0,0|1,0,1]=4 448 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [0,2,0,0,0,0|1,0,1]=4 449 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 Y6551 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.20 O=C(O)C(Br)C1=CC=C(F)C=C1 1179AQ [0,2,0,0,0,0|1,0,1]=4 451 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 Z5112 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.367 CC1=CC=C(C(N)CO)C=C1C 4968AH [0,2,0,0,0,0|1,0,0]=3 453 B12R1.367 CCC(C)C1=CC(Br)=C(O)C=C1 7213AE [0,2,0,0,0,0|1,0,0]=3 454 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 9726AB [0,2,0,0,0,0|2,0,0]=4 455 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 9016AC [0,2,0,0,0,0|1,0,1]=4 456 B12R1.367 OCC(Cl)C1=CC=C(Cl)C(Cl)=C1 2028AL [0,2,0,0,0,0|1,0,0]=3 457 B12R1.1703 C=C(CO)C1=CC=C(F)C=C1F 1023AJ [0,2,0,0,0,0|0,0,2]=4 458 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 4966AH [0,2,0,0,0,0|1,0,0]=3 459 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 1957AF [0,2,0,0,0,0|2,0,0]=4 460 B12R1.1703 CC[C@@H](N)C1=CC=C(F)C=C1F 4783AA [0,2,0,0,0,0|2,0,0]=4 461 B12R1.1703 C\C(=N/O)C1=C(O)C=C(O)C=C1 9189AB [0,2,0,0,0,0|1,0,1]=4 462 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [0,2,0,0,0,0|0,0,1]=3 463 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [0,2,0,0,0,0|0,0,1]=3 464 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 6321AD [0,2,0,0,0,0|1,0,1]=4 465 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 5420AJ [0,2,0,0,0,0|1,0,1]=4 466 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 5419AJ [0,2,0,0,0,0|1,0,1]=4 467 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 Z5958 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.354 C\C(=N/O)C1=C(O)C=CC(Br)=C1 V5900 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.358 NC(CO)C1=CC(Cl)=CC(Cl)=C1 5417AJ [0,2,0,0,0,0|1,0,0]=3 470 B12R1.358 NCC(O)C1=CC(Cl)=CC(Cl)=C1 5055AH [0,2,0,0,0,0|2,0,0]=4 471 B12R1.435 CC[C@@H](N)C1=CC(C#N)=CC=C1 4782AA [0,2,0,0,0,0|2,0,0]=4 472 B12R1.435 COC1=CC(C(O)CN)=CC=C1 9377AJ [0,2,0,0,0,0|2,0,0]=4 473 B12R1.435 COC1=CC=CC(C(N)CO)=C1 1466AJ [0,2,0,0,0,0|1,0,0]=3 474 B12R1.435 COC1=CC=CC(C(O)CN)=C1 2592AB [0,2,0,0,0,0|2,0,0]=4 475 B12R1.124 OC(C1=CC=CC=C1Cl)C(Cl)Cl 2651AB [0,2,0,0,0,0|2,0,0]=4 476 B12R1.564 FC(F)(F)C(Br)C1=CC=CC=C1 3336AE [0,2,0,0,0,0|2,0,0]=4 477 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F 9123AH [0,2,0,0,0,0|2,0,0]=4 478 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F W4548 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F 4126AL [0,2,0,0,0,0|2,0,0]=4 480 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC W7435 [0,2,0,0,0,0|2,0,0]=4 481 B10R2.6 C1=CC(C2CC2)=CC=N1 Z0635 [1,0,0,1,0,0|1,0,0]=3 482 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|2,0,0]=4 483 B10R2.7 C1=CC2=C(C=N1)CCN2 1361AJ [1,0,0,1,0,0|2,0,0]=4 484 B10R2.7 C1=CC2=C(C=N1)NCC2 1831AC [1,0,0,1,0,0|2,0,0]=4 485 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [1,0,0,1,0,0|2,0,0]=4 486 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@@H]1Br 0883AA [0,0,0,1,0,1|1,0,0]=3 487 B12R2.24 CC1CNC2=CC=CC=C2O1 V6799 [0,0,0,1,0,1|1,0,0]=3 488 B12R2.24 CC1COC2=CC=CC=C2N1 0197AE [0,0,0,1,0,1|0,0,0]=2 489 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [0,0,0,1,0,1|2,0,0]=4 490 B12R2.24 NC1CCC2=C(C=CC=C2)C1 W3803 [0,0,0,1,0,1|2,0,0]=4 491 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [0,0,0,1,0,1|2,0,0]=4 492 B12R2.24 NC1CNC2=CC=CC=C2C1 5514AB [0,0,0,1,0,1|2,0,0]=4 493 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [0,0,0,1,0,1|1,0,0]=3 494 B12R2.24 O=C1COC2=CC=CC=C2C1 9923AA [0,0,0,1,0,1|1,0,1]=4 495 B12R2.24 OC1COC2=C(C=CC=C2)O1 5942AE [0,0,0,1,0,1|1,0,0]=3 496 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,0,0,1,0,1|0,0,0]=2 497 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [0,0,0,1,0,1|1,0,0]=3 498 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [0,0,0,1,0,1|1,0,1]=4 499 B12R2.32 CNC1CC2=CC=CC=C2C1 0955AA [0,0,0,1,0,1|2,0,0]=4 500 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1348AJ [0,0,0,1,0,1|1,0,0]=3 501 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0279AB [0,0,0,1,0,1|1,0,0]=3 502 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0817AB [0,0,0,1,0,1|1,0,0]=3 503 B12R2.32 NNC1CC2=C(C=CC=C2)C1 0304AD [0,0,0,1,0,1|2,0,0]=4 504 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [0,0,0,1,0,1|2,0,0]=4 505 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 2376AJ [0,0,0,1,0,1|1,0,0]=3 506 B12R2.48 NCC1(C2=CC=CC=C2)CC1 V9282 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.48 NCC1(C2=NC=CC=C2)CC1 8300AH [0,1,0,1,0,0|2,0,0]=4 508 B12R2.48 OCC1(C2=CC=CC=C2)CC1 1029AL [0,1,0,1,0,0|0,0,0]=2 509 B12R2.116 NC1(C2=CC=CC=C2)CCC1 8972AA [0,1,0,1,0,0|1,0,0]=3 510 B12R2.116 NC1(C2=CC=CC=C2)COC1 X3454 [0,1,0,1,0,0|0,0,0]=2 511 B12R2.116 OC1(C2=CC=CC=C2)COC1 8374AE [0,1,0,1,0,0|0,0,0]=2 512 B12R2.1 BrCC1=NOC2=C1C=CC=C2 X6921 [0,1,0,1,0,0|1,0,1]=4 513 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [0,1,0,1,0,0|1,0,0]=3 514 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z4520 [0,1,0,1,0,0|1,0,1]=4 515 B12R2.1 NCC1CCC2=C1C=CC=C2 8443AH [0,1,0,1,0,0|1,0,0]=3 516 B12R2.1 OCC1=COC2=CC=CC=C12 6401AB [0,1,0,1,0,0|0,0,2]=4 517 B12R2.1 O\N=C1/COC2=CC=CC=C21 0178AF [0,1,0,1,0,0|1,0,1]=4 518 B12R2.2 C1=CC(C2CCCN2)=CC=N1 Q676 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.2 C1=CC(C2CCNC2)=CC=N1 3704AC [0,1,0,1,0,0|2,0,0]=4 520 B12R2.2 C1=CC(C2CCNC2)=CC=N1 X4189 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.2 C1=CC(C2CCNC2)=CN=C1 5164AH [0,1,0,1,0,0|2,0,0]=4 522 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [0,1,0,1,0,0|1,0,0]=3 523 B12R2.2 C1=CC=C(N2CC=CC2)C=C1 0764AA [0,1,0,1,0,0|2,0,0]=4 524 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 9247AJ [0,1,0,1,0,0|1,0,0]=3 525 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [0,1,0,1,0,0|1,0,0]=3 526 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [0,1,0,1,0,0|2,0,0]=4 527 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,1,0,1,0,0|0,0,2]=4 528 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [0,1,0,1,0,0|1,0,0]=3 529 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [0,1,0,1,0,0|1,0,0]=3 530 B12R2.1081 NC1CCCC2=CC=CC=C21 6757AB [0,1,0,1,0,0|2,0,0]=4 531 B12R2.1081 NC1CCNC2=CC=CC=C21 1769AC [0,1,0,1,0,0|2,0,0]=4 532 B12R2.1081 NC1CCNC2=CC=CC=C21 2501AC [0,1,0,1,0,0|2,0,0]=4 533 B12R2.1081 NC1CCOC2=CC=CN=C21 Z1671 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [0,1,0,1,0,0|1,0,0]=3 535 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [0,1,0,1,0,0|1,0,0]=3 536 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.1081 OC1CCNC2=C1C=CC=C2 1766AB [0,1,0,1,0,0|2,0,0]=4 538 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [0,1,0,1,0,0|1,0,0]=3 539 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [0,1,0,1,0,0|2,0,0]=4 540 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 X6396 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 W8707 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 1156AJ [0,1,0,1,0,0|1,0,0]=3 543 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 6903AB [0,1,0,1,0,0|2,0,0]=4 544 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 8854AE [0,1,0,1,0,0|2,0,0]=4 545 B12R2.612 CC1=CC2=C(C=C1)C(N)CC2 8637AA [0,1,0,1,0,0|2,0,0]=4 546 B12R2.612 CC1=CC2=C(C=C1)C(O)CC2 3976AB [0,1,0,1,0,0|2,0,0]=4 547 B12R2.612 CC1=NOC2=CC(Cl)=CC=C21 V7165 [0,1,0,1,0,0|1,0,1]=4 548 B12R2.612 CN1CCC2=C1C=CC(N)=C2 9928AH [0,1,0,1,0,0|2,0,0]=4 549 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 3412AA [0,1,0,1,0,0|2,0,0]=4 550 B12R2.612 NC1CCC2=C1C=CC(F)=C2 7424AA [0,1,0,1,0,0|2,0,0]=4 551 B12R2.612 NC1CCC2=CC(Cl)=CC=C21 3177AJ [0,1,0,1,0,0|2,0,0]=4 552 B12R2.612 NC1COC2=C1C=CC(Br)=C2 6155AC [0,1,0,1,0,0|1,0,0]=3 553 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 8358AH [0,1,0,1,0,0|2,0,0]=4 554 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5425AC [0,1,0,1,0,0|2,0,0]=4 555 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 3977AB [0,1,0,1,0,0|2,0,0]=4 556 B12R2.80 NC1CC1C2=CC(Cl)=CC=C2 5207AJ [0,1,0,1,0,0|1,0,0]=3 557 B12R2.132 CC1=CC2=C(C=C1)CCC2O 0306AB [0,1,0,1,0,0|2,0,0]=4 558 B12R2.132 CC1=NOC2=CC=C(N)C=C21 Z5192 [0,1,0,1,0,0|1,0,1]=4 559 B12R2.132 CN1CCC2=C1C=C(N)C=C2 9914AH [0,1,0,1,0,0|2,0,0]=4 560 B12R2.132 CN1CCC2=CC=C(N)C=C21 9915AH [0,1,0,1,0,0|2,0,0]=4 561 B12R2.132 NC1CCC2=CC=C(Br)C=C21 3445AJ [0,1,0,1,0,0|2,0,0]=4 562 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3277AA [0,1,0,1,0,0|2,0,0]=4 563 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3497AJ [0,1,0,1,0,0|2,0,0]=4 564 B12R2.132 NC1COC2=CC=C(Br)C=C21 3114AJ [0,1,0,1,0,0|1,0,0]=3 565 B12R2.132 NC1COC2=CC=C(Cl)C=C21 3180AJ [0,1,0,1,0,0|1,0,0]=3 566 B12R2.132 NC1COC2=CC=C(F)C=C21 5848AH [0,1,0,1,0,0|1,0,0]=3 567 B12R2.132 N[C@H]1CCC2=CC=C(Br)C=C21 9195AH [0,1,0,1,0,0|2,0,0]=4 568 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 W5443 [0,1,0,1,0,0|1,0,1]=4 569 B12R2.196 NC1CCC2=C(Br)C=CC=C21 2651AL [0,1,0,1,0,0|2,0,0]=4 570 B12R2.196 NC1CCC2=C(F)C=CC=C21 2719AL [0,1,0,1,0,0|2,0,0]=4 571 B12R2.196 NC1CCC2=C(O)C=CC=C21 9671AH [0,1,0,1,0,0|2,0,0]=4 572 B12R2.196 NC1CCC2=C(O)C=CC=C21 9674AH [0,1,0,1,0,0|2,0,0]=4 573 B12R2.196 NC1CCC2=C1C=CC=C2F 7425AA [0,1,0,1,0,0|2,0,0]=4 574 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F X9731 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.196 O=C1COC2=C1C=CC=C2Cl 3655AB [0,1,0,1,0,0|1,0,1]=4 576 B12R2.196 O=C1COC2=C1C=CC=C2F 6026AC [0,1,0,1,0,0|1,0,1]=4 577 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 2299AA [0,1,0,1,0,0|2,0,0]=4 578 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 6902AB [0,1,0,1,0,0|2,0,0]=4 579 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,1,0,1,0,0|0,0,1]=3 580 B12R2.88 CC1=CC=CC=C1C2(N)CC2 2300AA [0,1,0,1,0,0|2,0,0]=4 581 B12R2.88 NC1(C2=CC=CC=C2Br)CC1 9016AB [0,1,0,1,0,0|2,0,0]=4 582 B12R2.88 NC1(C2=CC=CC=C2Cl)CC1 9040AC [0,1,0,1,0,0|2,0,0]=4 583 B12R2.88 NC1(C2=CC=CC=C2F)CC1 V8669 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.203 O=C1COC2=CC=CC(Br)=C12 0563AA [0,1,0,1,0,0|1,0,1]=4 585 B12R2.203 O=C1COC2=CC=CC(F)=C12 5225AC [0,1,0,1,0,0|1,0,1]=4 586 B12R2.203 O=C1COC2=CC=CC(I)=C12 3473AA [0,1,0,1,0,0|1,0,1]=4 587 B8R1.7 CC(C)C1=NC=CS1 V3543 [1,0,0,0,1,0|2,0,0]=4 588 B8R1.7 CC(N)C1=CC=CS1 9580AB [1,0,0,0,1,0|2,0,0]=4 589 B8R1.7 CC(N)C1=CSC=C1 0073AD [1,0,0,0,1,0|2,0,0]=4 590 B8R1.7 CC(O)C1=CC=CN1 Z2357 [1,0,0,0,1,0|1,0,0]=3 591 B8R1.7 CC(O)C1=CC=CO1 0311AQ [1,0,0,0,1,0|1,0,0]=3 592 B8R1.7 CC(O)C1=COC=C1 3660AD [1,0,0,0,1,0|1,0,0]=3 593 B8R1.8 BrCCC1=CC=CS1 Z5496 [1,0,0,0,1,0|2,0,0]=4 594 B8R1.8 CCCC1=CC=CO1 Z5525 [1,0,0,0,1,0|2,0,0]=4 595 B8R1.8 CCCC1=CSC=C1 Z5466 [1,0,0,0,1,0|2,0,0]=4 596 B8R1.8 NCCC1=CC=CN1 1070AJ [1,0,0,0,1,0|2,0,0]=4 597 B8R1.8 NCCC1=CSC=C1 8829AB [1,0,0,0,1,0|2,0,0]=4 598 B8R1.8 NCCN1C=CC=C1 3045AB [1,0,0,0,1,0|2,0,0]=4 599 B8R1.8 OCCC1=CON=C1 4140AC [1,0,0,0,1,0|2,0,0]=4 600 B8R1.8 OCCN1C=CC=C1 4278AL [1,0,0,0,1,0|1,0,0]=3 601 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,0,0,0,0,2|0,0,0]=2 602 B12R1.27 CCC(O)C#CC1=CC=CC=C1 1009AQ [0,0,0,0,0,2|2,0,0]=4