0 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 CCOC1=CC=C(Br)C=N1 25744 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.1 CCOC1=CC=C(N)C=N1 28529 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.1 FC1=CC=C(N=C=S)C=C1 26922 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 CC1=CC=C(CO)C=C1 15163 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.1 CNC1=CC=C(O)C=C1 32029 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.1 COC1=CC=C(Br)C=C1 30359 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 COC1=CC=C(Br)C=N1 28496 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 COC1=CC=C(C)C=C1 27173 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.1 COC1=CC=C(C)C=N1 29129 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 COC1=CC=C(C)N=C1 29217 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 COC1=CC=C(F)C=C1 30024 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.1 COC1=CC=C(I)C=N1 29054 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 COC1=CC=C(I)N=C1 10588 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 COC1=CC=C(N)N=C1 26213 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 COC1=CC=[N+]([O-])C=C1 26996 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 COC1=CN=C(Cl)C=C1 28971 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 COC1=NC=C(Cl)C=C1 19104 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 COC1=NC=C(N)C=C1 27019 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 ClCC1=CN=C(Cl)C=C1 27917 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 N#CC1=CN=C(O)C=C1 29306 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.1 NC1=CC=C(CCl)N=C1 29166 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 NC1=CC=C(CO)C=C1 29757 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.1 NCC1=CC=C(O)C=C1 17203 [1,0,0,0,0,0|0,0,0]=1 37 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 NNC1=CC=C(F)C=C1 31299 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.1 OCC1=CC=C(F)C=C1 30025 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 OCC1=CC=C(O)C=C1 00198 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 CCOC1=NC=CC=C1 27481 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|0,0,0]=1 62 B9R1.8 NCCC1=NC=CN=C1 17453 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 NCCC1=NC=CN=C1 23818 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.1 CCCCC1=CN=C(C)C=C1 21390 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31416 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31418 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.1 CNCCC1=CC=C(Cl)C=C1 18383 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.1 CNCCC1=CC=C(O)C=C1 21452 [0,1,0,0,0,0|0,0,0]=1 73 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 20841 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 24846 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 CN(C)CC1=CC=C(N)C=C1 18995 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 24847 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 24848 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 02881 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,1,0,0,0,0|1,1,1]=4 86 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.22 CC1=CC=C(C(O)CN)C=C1 23754 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 26760 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 24955 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 30432 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 28481 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 23683 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.22 NCC(O)C1=CC=C(F)C=C1 23414 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.22 NCC(O)C1=CC=C(O)C=C1 30438 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 24950 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 27125 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 24437 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 26759 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 27587 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 30340 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23039 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23040 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.81 CCNC1=C(Cl)C=C(Cl)C=C1 18231 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.81 ONCC1=C(Cl)C=C(Cl)C=C1 29482 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.83 CCC1=CN=C(CCO)C=C1 24156 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.83 CCOC1=CC=C(C=O)C=C1 26882 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.83 COC1=CC=C(\C=N\O)C=C1 23258 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 18259 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [0,1,0,0,0,0|0,0,0]=1 111 B11R2.36 BrC1=CC2=C(C=C1)NCC2 17214 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 21869 [0,0,0,1,0,0|1,0,2]=4 113 B11R2.36 BrC1=CC=C2C=NNC2=C1 17753 [0,0,0,1,0,0|2,0,1]=4 114 B11R2.36 BrC1=CC=C2CCNC2=C1 20490 [0,0,0,1,0,0|1,0,0]=2 115 B11R2.36 CC1=CC2=C(C=C1)C=NN2 26232 [0,0,0,1,0,0|2,0,1]=4 116 B11R2.36 CC1=CC2=C(C=C1)NCC2 19131 [0,0,0,1,0,0|3,0,0]=4 117 B11R2.36 CC1=CC2=C(C=CN2)C=C1 21874 [0,0,0,1,0,0|1,0,2]=4 118 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 21894 [0,0,0,1,0,0|1,0,2]=4 119 B11R2.36 ClC1=CC=C2C=NNC2=C1 29042 [0,0,0,1,0,0|2,0,1]=4 120 B11R2.36 ClC1=CC=C2CCNC2=C1 20514 [0,0,0,1,0,0|1,0,0]=2 121 B11R2.36 ClC1=CC=C2NCCC2=C1 17280 [0,0,0,1,0,0|3,0,0]=4 122 B11R2.36 FC1=CC2=C(C=C1)CCN2 19213 [0,0,0,1,0,0|1,0,0]=2 123 B11R2.36 FC1=CC2=C(C=CN2)C=C1 21852 [0,0,0,1,0,0|1,0,2]=4 124 B11R2.36 FC1=CC=C2C=NNC2=C1 20527 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.36 FC1=CC=C2NCCC2=C1 17283 [0,0,0,1,0,0|3,0,0]=4 126 B11R2.36 IC1=CC2=C(C=C1)C=NN2 20538 [0,0,0,1,0,0|2,0,1]=4 127 B11R2.36 IC1=CC=C2CCNC2=C1 20539 [0,0,0,1,0,0|1,0,0]=2 128 B11R2.36 NC1=CC2=C(C=C1)C=NN2 26963 [0,0,0,1,0,0|2,0,1]=4 129 B11R2.36 NC1=CC2=C(C=C1)CCN2 21317 [0,0,0,1,0,0|1,0,0]=2 130 B11R2.36 NC1=CC2=C(C=C1)NCC2 21080 [0,0,0,1,0,0|3,0,0]=4 131 B11R2.36 NC1=CC=C2C=CNC2=C1 21832 [0,0,0,1,0,0|1,0,2]=4 132 B11R2.36 OC1=CC2=C(C=C1)C=NN2 27473 [0,0,0,1,0,0|1,0,1]=3 133 B11R2.36 OC1=CC2=C(C=C1)N=CN2 26334 [0,0,0,1,0,0|1,0,1]=3 134 B11R2.36 OC1=CC2=C(C=C1)NC=C2 21844 [0,0,0,1,0,0|2,0,1]=4 135 B11R2.36 OC1=CC2=C(C=CN2)C=C1 21936 [0,0,0,1,0,0|0,0,2]=3 136 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 138 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.2 CNC1=CN=CC=C1 18208 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|1,0,0]=3 141 B8R1.2 COC1=CC=NC=C1 28387 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 COC1=NC=CC=C1 27017 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|0,0,2]=4 147 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|0,0,0]=2 148 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|1,0,0]=3 149 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|1,0,0]=3 150 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|1,0,0]=3 151 B8R1.2 NCC1=CN=CC=N1 23715 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.2 NCC1=NC=CC=N1 18223 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 NCC1=NC=CC=N1 23716 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|1,0,0]=3 155 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|1,0,0]=3 156 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.3 BrC1=CC=C(Br)C=C1 26734 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.3 BrC1=CC=C(Br)C=C1 29550 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.3 CC1=CC=C(Cl)N=C1 28395 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.3 CC1=CC=C(F)C=C1 30018 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.3 CC1=CC=C(F)C=N1 31011 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.3 CC1=CC=C(N)C=N1 28425 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.3 CC1=CC=C(O)C=C1 02046 [2,0,0,0,0,0|0,0,0]=2 165 B8R1.3 CC1=CC=C(S)N=C1 28655 [2,0,0,0,0,0|1,1,0]=4 166 B8R1.3 CC1=CC=[N+]([O-])C=C1 26997 [2,0,0,0,0,0|1,0,1]=4 167 B8R1.3 CC1=CN=C(Br)C=C1 28196 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.3 CC1=CN=C(F)C=C1 29327 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.3 CC1=CN=C(N)C=C1 16973 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.3 CC1=CN=C(O)C=C1 28671 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.3 CC1=NC=C(Br)C=C1 16976 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.3 CC1=NC=C(Cl)C=C1 28861 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.3 CC1=NC=C(I)C=C1 29038 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.3 CC1=NC=C(O)C=C1 27039 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.3 ClC1=CC=C(Cl)C=C1 31165 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.3 FC1=CC=C(Br)C=C1 30412 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.3 IC1=CC=C(I)C=C1 26770 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.3 NC1=CC=C(Br)C=C1 29844 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.3 NC1=CC=C(Br)N=C1 28526 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.3 NC1=CC=C(F)N=C1 17046 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.3 NC1=CC=C(I)C=C1 27150 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.3 NC1=CC=C(I)C=N1 25748 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.3 NC1=CC=C(I)N=C1 25750 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.3 NC1=CC=C(O)C=N1 29569 [2,0,0,0,0,0|1,0,0]=3 185 B8R1.3 NC1=CN=C(Cl)C=C1 25555 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.3 NC1=CN=C(N)C=C1 27586 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.3 NC1=CNC(=O)C=C1 29435 [2,0,0,0,0,0|1,0,1]=4 188 B8R1.3 NC1=NC=C(Br)C=C1 27033 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.3 NC1=NC=C(Cl)C=C1 27034 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.3 NC1=NC=C(O)C=C1 17752 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.3 OC1=CC=C(Br)C=N1 25760 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.3 OC1=CC=C(F)C=C1 31762 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.3 OC1=CC=C(F)C=N1 29416 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.3 OC1=CN=C(Br)C=C1 28860 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.3 OC1=NC=C(I)C=C1 25749 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.3 CCC1=CC=C(C=O)N=C1 26528 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.3 CCC1=CC=C(NN)C=C1 17133 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.3 COC1=CC=C(C#N)C=C1 31327 [1,1,0,0,0,0|0,0,2]=4 201 B10R1.3 COC1=CC=C(C=O)C=C1 24468 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.3 COC1=CC=C(CCl)C=C1 00213 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.3 COC1=CC=C(CO)C=C1 00699 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.3 COC1=CC=C(NN)C=C1 21957 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.3 N#CC1=CC=C(CBr)C=C1 06739 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.3 N#CC1=CC=C(CCl)C=C1 31253 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.3 N#CC1=CC=C(CN)C=C1 28564 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.3 N#CC1=CC=C(CN)C=N1 20370 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.3 NCC1=CC=C(CO)C=C1 17557 [1,1,0,0,0,0|0,0,0]=2 210 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [1,1,0,0,0,0|0,0,1]=3 215 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [1,1,0,0,0,0|0,0,0]=2 219 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.13 CC1=CC=C(C(C)N)N=C1 18435 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [1,1,0,0,0,0|0,0,0]=2 227 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [1,1,0,0,0,0|0,0,1]=3 231 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [1,1,0,0,0,0|0,0,1]=3 233 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.13 OB(O)C1=CC=C(O)C=C1 31431 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 CCC1=C(Br)C=C(N)C=C1 29476 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.25 COC1=C(Br)C=C(Br)C=C1 30389 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 COC1=C(Br)C=C(F)C=C1 27315 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.25 COC1=C(I)C=C(Cl)C=C1 27716 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 COC1=CC=C(C)C=C1O 27589 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 COC1=CC=C(Cl)C=C1Br 27857 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.25 COC1=CC=C(F)C=C1N 24899 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.25 COC1=CC=C(S)C=C1F 28920 [1,1,0,0,0,0|1,1,0]=4 247 B10R1.176 CC1=C(Br)C=CC(CO)=C1 29912 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.176 CC1=C(C)C=C(CN)C=C1 29260 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.176 CC1=CC(NN)=CC=C1Br 17832 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.176 CC1=CC=C(CO)C=C1N 27832 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.176 CCC1=CN=C(C)C(Br)=C1 29458 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.176 COC1=CC(Br)=C(O)C=C1 17182 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.176 COC1=CC(N)=C(Cl)C=C1 27675 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.176 COC1=CC(N)=C(O)C=C1 24931 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.176 N#CC1=CC(O)=C(O)C=C1 27407 [1,1,0,0,0,0|0,0,2]=4 256 B10R1.176 NNC1=CC(F)=C(F)C=C1 17093 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.176 O=C1C=C(CO)OC=C1O 21857 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 27427 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.176 O=CC1=CC(O)=C(O)C=C1 21243 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,1,0,0,0,0|0,0,2]=4 267 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,1,0,0,0,0|0,0,2]=4 268 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,1,0,0,0,0|0,0,2]=4 269 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.17 OCC#CC1=CC=CC=C1 27592 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.1 COCCOC1=CC=C(O)C=C1 20176 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.1 N#CCCOC1=CC=C(F)C=C1 24698 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32525 [0,2,0,0,0,0|0,0,0]=2 298 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32526 [0,2,0,0,0,0|0,0,0]=2 299 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 29732 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 20175 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 32480 [0,2,0,0,0,0|0,0,0]=2 303 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 23238 [0,2,0,0,0,0|1,0,1]=4 304 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 23288 [0,2,0,0,0,0|1,0,1]=4 305 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.49 CC(CN)OC1=CC=C(F)C=C1 23526 [0,2,0,0,0,0|1,0,0]=3 309 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 23693 [0,2,0,0,0,0|1,0,0]=3 310 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16170 [0,2,0,0,0,0|0,0,0]=2 311 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16629 [0,2,0,0,0,0|0,0,0]=2 312 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 16227 [0,2,0,0,0,0|0,0,0]=2 313 B12R1.71 CNCCC1=CC=C(OC)C=C1 18390 [0,2,0,0,0,0|0,0,0]=2 314 B12R1.71 COC1=CC=C(CCCO)C=C1 30819 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 30371 [0,2,0,0,0,0|1,0,1]=4 316 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 20820 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 27781 [0,2,0,0,0,0|1,0,1]=4 318 B12R1.19 CC1=CC(CC(=O)O)=CC=C1O 28947 [0,2,0,0,0,0|1,0,1]=4 319 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 21643 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 21188 [0,2,0,0,0,0|1,0,1]=4 321 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 11758 [0,2,0,0,0,0|1,0,1]=4 322 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 28993 [0,2,0,0,0,0|1,0,1]=4 323 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 30862 [0,2,0,0,0,0|1,0,1]=4 324 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 30848 [0,2,0,0,0,0|1,0,1]=4 325 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 24658 [0,2,0,0,0,0|1,0,1]=4 326 B12R1.5 COC1=CC=C(C(O)CN)C=C1 23752 [0,2,0,0,0,0|0,0,0]=2 327 B12R1.5 CSC1=CC=C(C(N)CO)C=C1 29506 [0,2,0,0,0,0|1,1,0]=4 328 B12R1.367 CC1=CC=C(C(N)CO)C=C1C 29508 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.367 NCC(O)C1=CC=C(Cl)C(Cl)=C1 23753 [0,2,0,0,0,0|1,0,0]=3 330 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 32442 [0,2,0,0,0,0|0,0,0]=2 331 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 24120 [0,2,0,0,0,0|1,0,1]=4 332 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 29505 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 24657 [0,2,0,0,0,0|1,0,1]=4 334 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 25056 [0,2,0,0,0,0|1,0,1]=4 335 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 22390 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 22407 [0,2,0,0,0,0|1,0,1]=4 337 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 26839 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 18943 [0,2,0,0,0,0|0,0,0]=2 339 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 19018 [0,2,0,0,0,0|0,0,1]=3 340 B12R1.113 NOCC1=CC=C([N+](=O)[O-])C=C1 31366 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.113 O=C(O)C1=CC=C(CCCl)C=C1 27369 [0,2,0,0,0,0|1,0,0]=3 342 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 28605 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 31372 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.286 COC1=CC(CCN)=CC=C1O 10603 [0,2,0,0,0,0|0,0,0]=2 345 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|1,0,1]=4 346 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|0,0,2]=4 347 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|1,0,1]=4 348 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [1,0,0,1,0,0|2,0,0]=4 349 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [1,0,0,1,0,0|2,0,0]=4 350 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [1,0,0,1,0,0|1,0,0]=3 351 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 18151 [0,1,0,1,0,0|1,0,0]=3 352 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 24662 [0,1,0,1,0,0|2,0,0]=4 353 B12R2.24 BrC1=CN=C2CCNCC2=C1 18027 [0,1,0,1,0,0|2,0,0]=4 354 B12R2.24 CC1=CC=C2CCNCC2=C1 20603 [0,1,0,1,0,0|1,0,0]=3 355 B12R2.24 CC1=CC=C2CNCCC2=C1 20552 [0,1,0,1,0,0|2,0,0]=4 356 B12R2.24 CC1=NC2=C(C=C1)CCCN2 19261 [0,1,0,1,0,0|2,0,0]=4 357 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 19248 [0,1,0,1,0,0|1,0,0]=3 358 B12R2.24 ClC1=CC=C2CNCCC2=C1 19194 [0,1,0,1,0,0|2,0,0]=4 359 B12R2.24 ClC1=CC=C2CNCCC2=C1 19195 [0,1,0,1,0,0|2,0,0]=4 360 B12R2.24 FC1=CC=C2CCNCC2=C1 19254 [0,1,0,1,0,0|1,0,0]=3 361 B12R2.24 FC1=CC=C2CNCCC2=C1 19208 [0,1,0,1,0,0|2,0,0]=4 362 B12R2.24 FC1=CC=C2CNCCC2=C1 19209 [0,1,0,1,0,0|2,0,0]=4 363 B12R2.24 NC1=CC2=C(C=C1)CCNC2 17886 [0,1,0,1,0,0|1,0,0]=3 364 B12R2.24 NC1=CC2=C(C=C1)CNCC2 19166 [0,1,0,1,0,0|2,0,0]=4 365 B12R2.24 NC1=CC2=C(C=C1)OCCO2 27084 [0,1,0,1,0,0|2,0,0]=4 366 B12R2.24 OC1=CC2=C(C=C1)CNCC2 17885 [0,1,0,1,0,0|1,0,0]=3 367 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 25790 [0,1,0,1,0,0|2,0,0]=4 368 B12R2.132 NC1COC2=CC=C(F)C=C21 19116 [0,1,0,1,0,0|1,0,0]=3 369 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 25792 [0,1,0,1,0,0|2,0,0]=4 370 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 25791 [0,1,0,1,0,0|2,0,0]=4 371 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 25793 [0,1,0,1,0,0|2,0,0]=4 372 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 26121 [0,1,0,1,0,0|1,0,1]=4 373 B12R2.606 NC1=NC2=C(C=CC(O)=C2)S1 24059 [0,1,0,1,0,0|1,0,1]=4 374 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 20386 [0,1,0,1,0,0|1,0,0]=3 375 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 17218 [0,1,0,1,0,0|1,0,1]=4 376 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 22024 [0,1,0,1,0,0|1,0,1]=4 377 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 21498 [0,1,0,1,0,0|0,0,1]=3 378 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 18418 [0,1,0,1,0,0|2,0,0]=4 379 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 18422 [0,1,0,1,0,0|2,0,0]=4 380 B12R2.612 O=C1COC2=C1C=CC(O)=C2 31269 [0,1,0,1,0,0|1,0,1]=4 381 B12R2.44 COC1=CC2=C(C=C1)NCC2 18115 [0,1,0,1,0,0|2,0,0]=4 382 B12R2.44 COC1=CC2=C(C=CN2)C=C1 21873 [0,1,0,1,0,0|0,0,2]=4 383 B12R2.44 COC1=CC=C2CCNC2=C1 19218 [0,1,0,1,0,0|0,0,0]=2 384 B12R2.44 COC1=CC=C2CNCC2=C1 20412 [0,1,0,1,0,0|2,0,0]=4 385 B12R2.44 OCC1=CC=C2C=NNC2=C1 26358 [0,1,0,1,0,0|1,0,1]=4 386 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 20987 [0,1,0,1,0,0|0,0,2]=4 387 B8R1.8 NCCC1=CNC=N1 00178 [1,0,0,0,1,0|2,0,0]=4 388 B8R1.8 NCCC1=CNC=N1 21888 [1,0,0,0,1,0|2,0,0]=4 389 B8R1.8 NCCC1=CNC=N1 32474 [1,0,0,0,1,0|2,0,0]=4 390 B8R1.8 NCCC1=CON=C1 18732 [1,0,0,0,1,0|2,0,0]=4 391 B8R1.8 NCCC1=CSC=C1 26286 [1,0,0,0,1,0|1,0,0]=3 392 B8R1.8 NCCC1=NC=CS1 18801 [1,0,0,0,1,0|2,0,0]=4 393 B8R1.8 NCCN1C=CN=C1 23546 [1,0,0,0,1,0|2,0,0]=4 394 B8R1.8 NCCN1C=CN=C1 23717 [1,0,0,0,1,0|2,0,0]=4