0 B8R1.2 ClCC1=NC=CC=N1 MAY00188 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 O=CC1=COCCC1 KM03842 [0,0,0,0,0,0|1,0,3]=4 2 B8R1.2 OCC1=NC=CN=C1 CC03409 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 IC1=CC=NC=C1 MO00014 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [0,1,0,0,0,0|0,1,1]=3 5 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [0,1,0,0,0,0|1,0,2]=4 7 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.1 O=CC1=CN=C(Cl)N=C1 NP43845 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [0,1,0,0,0,0|0,0,2]=3 11 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [0,1,0,0,0,0|1,0,2]=4 12 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [0,1,0,0,0,0|0,1,1]=3 13 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [0,1,0,0,0,0|1,0,2]=4 14 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.2 ClCC1=CC(Br)=CN=C1 CC67174 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.2 N#CC1=CC(Br)=CN=C1 KM08398 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [0,1,0,0,0,0|0,0,2]=3 23 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.2 OCC1=CC=NC(F)=C1 NP45237 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.6 OB(O)C1=CC=NC=C1 CC04212 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.8 CNCC1=CC=CN=C1 TL00368 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.8 CNCC1=CC=NC=C1 MO00914 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.8 OCCC1=CC=CN=C1 KM09875 [0,1,0,0,0,0|1,0,2]=4 35 B9R1.8 S=C=NC1=CC=CN=C1 CC04107 [0,1,0,0,0,0|1,1,1]=4 36 B9R1.15 COC1=CC=CN=C1Br NP43815 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.15 COC1=CC=CN=C1N NP45374 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.15 COC1=NC=CC=C1N SPB07839 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.15 N#CC1=CC=NC=C1Br NP45227 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.15 N#CC1=CN=CC=C1I NP43745 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.15 N#CC1=NC=CC=C1F MO07483 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.15 O=CC1=NC=CC=C1F CC30904 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.1 C#CC1=CC=CS1 CC13047 [0,0,0,0,1,0|2,0,1]=4 45 B7R1.1 NCC1=CSC=C1 CC13113 [0,0,0,0,1,0|2,0,1]=4 46 B7R1.1 O=CC1=CC=CN1 CC08704 [0,0,0,0,1,0|1,0,0]=2 47 B7R1.1 O=CC1=CNC=N1 CC08804 [0,0,0,0,1,0|2,0,0]=3 48 B7R1.1 O=CC1=CSN=N1 SP01373 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,1,0,0,0,0|1,0,1]=4 50 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.4 FC1=NC=CC(I)=C1 MO07994 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [1,1,0,0,0,0|1,0,1]=4 56 B8R1.4 O=C1C=C(Cl)C=NN1 MO08305 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.4 O=C1C=C(I)C=CN1 MO07919 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [1,1,0,0,0,0|1,0,1]=4 60 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [1,1,0,0,0,0|1,0,1]=4 62 B8R1.5 CC1=CC=CNC1=O CD09405 [1,1,0,0,0,0|1,0,0]=3 63 B8R1.5 FC1=NC=CC=C1I MO00359 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [0,1,0,0,1,0|2,0,0]=4 65 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [0,1,0,0,1,0|1,0,0]=3 70 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [0,1,0,0,1,0|2,0,0]=4 71 B8R1.7 N=C(N)C1=COC=C1 MO00101 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.7 NC(=S)C1=COC=C1 MO00105 [0,1,0,0,1,0|1,1,0]=4 73 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [0,1,0,0,1,0|2,0,0]=4 74 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [0,1,0,0,1,0|2,0,0]=4 75 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [0,1,0,0,1,0|1,0,0]=3 76 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [0,1,0,0,1,0|2,0,0]=4 77 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [0,1,0,0,1,0|2,0,0]=4 78 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [0,1,0,0,1,0|2,0,0]=4 79 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,1,0,0,1,0|1,0,0]=3 80 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [0,1,0,0,1,0|2,0,0]=4 81 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [0,1,0,0,1,0|2,0,0]=4 82 B8R1.11 CN1C=NC=C1C=O CC23604 [0,1,0,0,1,0|2,0,0]=4 83 B8R1.11 CN1N=CC=C1C=O CC62304 [0,1,0,0,1,0|2,0,0]=4 84 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [0,1,0,0,1,0|1,0,0]=3 85 B8R1.11 O=CC1=C(Br)C=NN1 RF03950 [0,1,0,0,1,0|2,0,0]=4 86 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [0,1,0,0,1,0|1,0,0]=3 87 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [0,1,0,0,1,0|1,0,0]=3 88 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [0,2,0,0,0,0|1,0,1]=4 89 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [0,2,0,0,0,0|1,0,1]=4 90 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [0,2,0,0,0,0|0,0,2]=4 91 B10R1.1 S=C=NC1=CC=C(I)C=C1 S00350 [0,2,0,0,0,0|0,1,1]=4 92 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [0,2,0,0,0,0|1,0,1]=4 93 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [0,2,0,0,0,0|0,0,0]=2 94 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 NP42947 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 MAY00098 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.25 N#CC1=CC=C(Cl)C=C1Cl TL00187 [0,2,0,0,0,0|1,0,1]=4 105 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [0,2,0,0,0,0|1,0,1]=4 106 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [0,2,0,0,0,0|0,0,2]=4 109 B10R1.2 FC1=C(CBr)C=CC=C1Br MAY00216 [0,2,0,0,0,0|1,0,1]=4 110 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 SPB00444 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.8 FC1=CC(F)=CC(CBr)=C1 SB01686 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 SPB00433 [0,2,0,0,0,0|0,0,2]=4 113 B10R1.10 S=C=NC1=CC(Cl)=CC=C1 TL00490 [0,2,0,0,0,0|0,1,1]=4 114 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl DP01309 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [0,2,0,0,0,0|0,0,0]=2 116 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 AC35900 [0,2,0,0,0,0|1,0,1]=4 123 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [0,2,0,0,0,0|0,0,0]=2 124 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [0,2,0,0,0,0|0,0,0]=2 125 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [0,2,0,0,0,0|0,0,1]=3 126 B10R1.15 N\C(=N/O)C1=CC=CN=C1 S01204 [0,2,0,0,0,0|1,0,1]=4 127 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.28 O=S(=O)(Cl)C1=CC=CN=C1 CC04103 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,2,0,0,0,0|1,0,0]=3 131 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,2,0,0,0,0|1,0,0]=3 135 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.17 NCCOC1=CC=CC=C1 RF03254 [0,2,0,0,0,0|1,0,1]=4 137 B10R1.18 NC(=S)NC1=CC=NC=C1 SEW02754 [0,2,0,0,0,0|1,1,0]=4 138 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [0,2,0,0,0,0|1,0,0]=3 139 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [0,2,0,0,0,0|1,0,1]=4 140 B10R1.245 NNC1=C(Cl)C=CC=C1Cl BTB08663 [0,2,0,0,0,0|2,0,0]=4 141 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [0,1,0,1,0,0|0,0,2]=4 142 B10R2.7 C1=CC2=NON=C2C=C1 KM06477 [0,1,0,1,0,0|1,0,1]=4 143 B6R1.2 BrC1=CC=CO1 CC02010 [1,0,0,0,1,0|2,0,0]=4