0 B12R2.32 BrCC1=CC2=C(C=CC=C2)N1 SY268421 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.32 BrCC1=CC2=CC=CC=C2O1 SY045637 [0,0,0,0,0,0|1,0,1]=2 2 B12R2.32 CCC1=CC2=CC=CC=C2O1 SY067362 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.32 CCC1=NC2=CC=CC=C2N1 SY015992 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.32 CCC1=NC2=CC=CN=C2O1 SY018741 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.32 CCC1=NC2=NC=CC=C2O1 SY018744 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.32 CSC1=NC2=CC=CC=C2S1 SY037966 [0,0,0,0,0,0|3,1,0]=4 7 B12R2.32 ClCC1=CC2=CC=CC=C2O1 SY045662 [0,0,0,0,0,0|1,0,1]=2 8 B12R2.32 ClCC1=NC2=C(C=CC=N2)O1 SY004819 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.32 ClCC1=NC2=CC=CC=C2S1 SY027944 [0,0,0,0,0,0|2,1,1]=4 10 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 SY111261 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 SY026631 [0,0,0,0,0,0|2,0,1]=3 12 B12R2.32 NCC1=CC2=CC=CC=C2O1 SY026572 [0,0,0,0,0,0|1,0,1]=2 13 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY018489 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY025325 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY030589 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.32 NCC1=NC2=CC=CC=C2O1 SY026571 [0,0,0,0,0,0|2,0,1]=3 17 B12R2.32 NCC1=NC2=CC=CN=C2O1 SY130227 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.32 NCC1OC2=CC=CC=C2O1 SY026998 [0,0,0,0,0,0|2,0,2]=4 19 B12R2.32 NNC1=NC2=CC=CC=C2N1 SY081496 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.32 NNC1=NC2=CC=CC=C2S1 SY039119 [0,0,0,0,0,0|3,1,0]=4 21 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 SY042244 [0,0,0,0,0,0|1,0,0]=1 22 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SY065641 [0,0,0,0,0,0|2,0,0]=2 23 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 SY066930 [0,0,0,0,0,0|2,0,0]=2 24 B12R2.32 O=CC1=CC2=CC=CC=C2O1 SY013762 [0,0,0,0,0,0|0,0,0]=0 25 B12R2.32 O=CC1=CC2=CC=CC=C2S1 SY019968 [0,0,0,0,0,0|0,1,0]=1 26 B12R2.32 O=CC1=NC2=CC=CC=C2N1 SY025423 [0,0,0,0,0,0|2,0,0]=2 27 B12R2.32 O=CC1=NC2=CC=CC=C2O1 SY206427 [0,0,0,0,0,0|1,0,0]=1 28 B12R2.32 O=CC1=NC2=CC=CC=C2S1 SY059450 [0,0,0,0,0,0|1,1,0]=2 29 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 SY045599 [0,0,0,0,0,0|1,0,2]=3 30 B12R2.32 OCC1=CC2=CC=CC=C2O1 SY122875 [0,0,0,0,0,0|0,0,2]=2 31 B12R2.32 OCC1=CC2=CC=CC=C2S1 SY021579 [0,0,0,0,0,0|0,1,2]=3 32 B12R2.32 OCC1=CN2C=CC=CC2=N1 SY034790 [0,0,0,0,0,0|2,0,2]=4 33 B12R2.32 OCC1=NC2=CC=CC=C2N1 SY003368 [0,0,0,0,0,0|2,0,2]=4 34 B12R2.32 OCC1=NC2=CC=CC=C2S1 SY096627 [0,0,0,0,0,0|1,1,2]=4 35 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,0,0,0,0,0|0,0,4]=4 36 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 SY004720 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.10 BrC1=CC2=CC=CC=C2O1 SY101367 [1,0,0,0,0,0|1,0,0]=2 38 B11R2.10 BrC1=CN2C=CC=CC2=N1 SY017463 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.10 BrC1=NC2=CC=CC=C2N1 SY050717 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.10 BrC1=NC2=CC=CC=C2O1 SY192184 [1,0,0,0,0,0|2,0,0]=3 41 B11R2.10 CC1=CC2=C(C=CC=C2)C1 SY037985 [1,0,0,0,0,0|1,0,1]=3 42 B11R2.10 CC1=CC2=CC=CC=C2O1 SY039830 [1,0,0,0,0,0|0,0,1]=2 43 B11R2.10 CC1=CN2C=CC=CC2=C1 SY261692 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.10 CC1=NC2=C(C=CN=C2)O1 SY130002 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.10 CC1=NC2=CC=CC=C2N1 SY015991 [1,0,0,0,0,0|2,0,1]=4 46 B11R2.10 CC1=NC2=CC=CC=C2O1 SY048477 [1,0,0,0,0,0|1,0,1]=3 47 B11R2.10 CC1=NC2=CC=CC=C2S1 SY001190 [1,0,0,0,0,0|1,1,1]=4 48 B11R2.10 CC1=NC2=CC=CN=C2O1 SY018740 [1,0,0,0,0,0|2,0,1]=4 49 B11R2.10 CC1=NC2=NC=CC=C2O1 SY018743 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 SY115626 [1,0,0,0,0,0|2,0,0]=3 51 B11R2.10 ClC1=CC2=CC=CC=C2O1 SY045676 [1,0,0,0,0,0|1,0,0]=2 52 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 SY004072 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 SY010741 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.10 ClC1=NC2=C(C=NC=C2)O1 SY273675 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.10 ClC1=NC2=CC=CN=C2O1 SY047505 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.10 ClC1=NC2=NC=CC=C2O1 SY130040 [1,0,0,0,0,0|3,0,0]=4 57 B11R2.10 IC1=NC2=CC=CC=C2S1 SY040107 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.10 NC1=CN2C=CC=CC2=N1 SY031798 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.10 NC1=NC2=C(C=CC=C2)O1 SY010713 [1,0,0,0,0,0|2,0,0]=3 60 B11R2.10 NC1=NC2=C(C=CN=C2)O1 SY114774 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.10 NC1=NC2=CC=CC=C2N1 SY032901 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.10 NC1=NC2=CC=CN=C2O1 SY130073 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.10 NC1=NC2=NC=CC=C2O1 SY130061 [1,0,0,0,0,0|3,0,0]=4 64 B11R2.10 NC1=NN2C=CC=CC2=C1 SY039129 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.10 O=C1CC2=C(C=CC=C2)C1 SY001481 [1,0,0,0,0,0|1,0,1]=3 66 B11R2.10 O=C1CC2=C(C=CC=C2)O1 SY038967 [1,0,0,0,0,0|0,0,1]=2 67 B11R2.10 O=C1CC2=CC=CC=C2N1 SY004718 [1,0,0,0,0,0|1,0,1]=3 68 B11R2.10 O=C1CC2=CC=CN=C2N1 SY008090 [1,0,0,0,0,0|2,0,1]=4 69 B11R2.10 O=C1NC2=C(C=CC=C2)O1 SY007021 [1,0,0,0,0,0|1,0,0]=2 70 B11R2.10 O=C1NC2=C(C=CN=C2)O1 SY130167 [1,0,0,0,0,0|2,0,0]=3 71 B11R2.10 O=C1NC2=C(N=CC=C2)N1 SY007153 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.10 O=C1NC2=CC=CN=C2O1 SY116296 [1,0,0,0,0,0|2,0,0]=3 73 B11R2.10 O=C1NC2=NC=CC=C2O1 SY007988 [1,0,0,0,0,0|2,0,0]=3 74 B11R2.10 OC1=NC2=CC=CC=C2N1 SY033248 [1,0,0,0,0,0|2,0,1]=4 75 B11R2.10 OC1=NC2=CC=CC=C2S1 SY003005 [1,0,0,0,0,0|1,1,1]=4 76 B11R2.10 OC1=NN2C=CC=CC2=C1 SY116654 [1,0,0,0,0,0|2,0,1]=4 77 B11R2.10 S=C1NC2=CC=CN=C2O1 SY130024 [1,0,0,0,0,0|2,1,0]=4 78 B11R2.10 S=C1NC2=NC=CC=C2O1 SY086794 [1,0,0,0,0,0|2,1,0]=4 79 B11R2.10 SC1=NC2=C(C=CN=C2)O1 SY233069 [1,0,0,0,0,0|2,1,0]=4 80 B11R2.10 SC1=NC2=CC=CC=C2O1 SY048415 [1,0,0,0,0,0|1,1,0]=3 81 B13R2.26 N#CCC1=NC2=CC=CC=C2O1 SY169154 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.43 CC1=CC=C2N=C(CCl)OC2=C1 SY081628 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.43 CC1=CC=C2N=C(CN)OC2=C1 SY095801 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.43 CCC1=NC2=C(C=CC(Br)=C2)O1 SY018738 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.43 CCC1=NC2=CC(C)=CC=C2O1 SY018753 [0,1,0,0,0,0|2,0,1]=4 86 B13R2.43 CCC1=NC2=CC(F)=CC=C2O1 SY018735 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.43 CCC1=NC2=CC=C(Cl)C=C2O1 SY018759 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.43 ClCC1=NC2=CC(Br)=CC=C2O1 SY130179 [0,1,0,0,0,0|2,0,1]=4 89 B13R2.43 ClCC1=NC2=CC(Cl)=CC=C2O1 SY081652 [0,1,0,0,0,0|2,0,1]=4 90 B13R2.43 ClCC1=NC2=CC=C(Br)C=C2O1 SY130191 [0,1,0,0,0,0|2,0,1]=4 91 B13R2.43 ClCC1=NC2=CC=C(Cl)C=C2O1 SY083127 [0,1,0,0,0,0|2,0,1]=4 92 B13R2.43 FC1=CC=C2N=C(CCl)OC2=C1 SY130182 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.43 FC1=CC=C2OC(CCl)=NC2=C1 SY130181 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.43 NCC1=CC2=C(C=CC(Cl)=C2)N1 SY035338 [0,1,0,0,0,0|2,0,1]=4 95 B13R2.43 NCC1=CC2=CC(Br)=CC=C2S1 SY252997 [0,1,0,0,0,0|1,1,1]=4 96 B13R2.43 NCC1=CC2=CC=C(Br)C=C2S1 SY252996 [0,1,0,0,0,0|1,1,1]=4 97 B13R2.43 NCC1=NC2=CC(Br)=CC=C2O1 SY130218 [0,1,0,0,0,0|2,0,1]=4 98 B13R2.43 NCC1=NC2=CC(Cl)=CC=C2O1 SY130210 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.43 NCC1=NC2=CC(F)=CC=C2O1 SY095799 [0,1,0,0,0,0|2,0,1]=4 100 B13R2.43 NCC1=NC2=CC(N)=CC=C2O1 SY130213 [0,1,0,0,0,0|2,0,1]=4 101 B13R2.43 NCC1=NC2=CC=C(Br)C=C2O1 SY130229 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.43 NCC1=NC2=CC=C(Cl)C=C2O1 SY130211 [0,1,0,0,0,0|2,0,1]=4 103 B13R2.43 NCC1=NC2=CC=C(F)C=C2O1 SY130209 [0,1,0,0,0,0|2,0,1]=4 104 B13R2.43 NCC1=NC2=CC=C(N)C=C2O1 SY130215 [0,1,0,0,0,0|2,0,1]=4 105 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)N1 SY066232 [0,1,0,0,0,0|1,0,0]=2 106 B13R2.43 OCC1=CC2=CC(Cl)=CC=C2O1 SY045691 [0,1,0,0,0,0|0,0,2]=3 107 B13R2.45 CC1=C(C#N)NC2=C1C=CC=C2 SY114162 [0,1,0,0,0,0|2,0,1]=4 108 B13R2.45 CC1=C(CO)OC2=CC=CC=C21 SY045663 [0,1,0,0,0,0|0,0,2]=3 109 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)C1 SY021444 [0,1,0,0,0,0|2,0,1]=4 110 B13R2.45 N#CC1=C(N)C2=CC=CC=C2O1 SY021446 [0,1,0,0,0,0|1,0,1]=3 111 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 SY264217 [0,1,0,0,0,0|1,0,0]=2 112 B13R2.54 CC1=C2N=C(CCl)OC2=CC=C1 SY130186 [0,1,0,0,0,0|2,0,1]=4 113 B13R2.54 CC1=C2N=C(CN)OC2=CC=C1 SY130208 [0,1,0,0,0,0|2,0,1]=4 114 B13R2.54 CCC1=NC2=C(C)C=CC=C2O1 SY018727 [0,1,0,0,0,0|2,0,1]=4 115 B13R2.54 CCC1=NC2=CC=CC(Br)=C2O1 SY018762 [0,1,0,0,0,0|2,0,1]=4 116 B13R2.54 ClCC1=NC2=CC=CC(Br)=C2O1 SY130190 [0,1,0,0,0,0|2,0,1]=4 117 B13R2.54 ClCC1=NC2=CC=CC(Cl)=C2O1 SY130184 [0,1,0,0,0,0|2,0,1]=4 118 B13R2.54 FC1=C2N=C(CCl)OC2=CC=C1 SY130193 [0,1,0,0,0,0|2,0,1]=4 119 B13R2.54 FC1=C2OC(CCl)=NC2=CC=C1 SY130189 [0,1,0,0,0,0|2,0,1]=4 120 B13R2.54 NCC1=NC2=C(F)C=CC=C2O1 SY130233 [0,1,0,0,0,0|2,0,1]=4 121 B13R2.54 NCC1=NC2=C(N)C=CC=C2O1 SY130217 [0,1,0,0,0,0|2,0,1]=4 122 B13R2.54 NCC1=NC2=CC=CC(Br)=C2O1 SY130225 [0,1,0,0,0,0|2,0,1]=4 123 B13R2.54 NCC1=NC2=CC=CC(Cl)=C2O1 SY130228 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.54 NCC1=NC2=CC=CC(F)=C2O1 SY130222 [0,1,0,0,0,0|2,0,1]=4 125 B13R2.54 O=CC1=CC2=C(O1)C(I)=CN=C2 SY039826 [0,1,0,0,0,0|1,0,0]=2 126 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 SY045444 [0,1,0,0,0,0|0,0,0]=1 127 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 SY001822 [0,1,0,0,0,0|0,1,0]=2 128 B13R2.435 FC(F)C1=CC2=CC=CC=C2S1 SY265871 [0,1,0,0,0,0|1,1,1]=4 129 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 SY225211 [0,1,0,0,0,0|1,0,0]=2 130 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 SY024481 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 SY024866 [0,1,0,0,0,0|1,0,0]=2 132 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SY003715 [0,1,0,0,0,0|1,0,0]=2 133 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SY005603 [0,1,0,0,0,0|0,0,0]=1 134 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SY003106 [0,1,0,0,0,0|0,1,0]=2 135 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 SY016149 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 SY004412 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 SY004051 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 SY022481 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 SY286053 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)S1 SY267100 [0,1,0,0,0,0|2,1,0]=4 141 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 SY042596 [0,1,0,0,0,0|1,1,0]=3 142 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 SY004701 [0,1,0,0,0,0|2,0,0]=3 143 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 SY030245 [0,1,0,0,0,0|1,0,2]=4 144 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 SY004089 [0,1,0,0,0,0|1,0,2]=4 145 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 SY064576 [0,1,0,0,0,0|0,0,2]=3 146 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 SY003767 [0,1,0,0,0,0|1,0,2]=4 147 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 SY003766 [0,1,0,0,0,0|1,0,2]=4 148 B13R2.435 OB(O)C1=CC2=CC=CC=C2O1 SY022298 [0,1,0,0,0,0|1,0,1]=3 149 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 SY001173 [0,1,0,0,0,0|1,1,1]=4 150 B11R1.17 C=CCOC1=CC=CC=C1O SY115738 [0,0,1,0,0,0|2,0,1]=4 151 B11R1.40 C=CC(=O)NC1=CC=CC=C1 SY052499 [0,0,1,0,0,0|2,0,1]=4 152 B11R1.40 C=CC(=O)OC1=CC=CC=C1 SY050025 [0,0,1,0,0,0|2,0,0]=3 153 B11R1.40 NNC(=O)OC1=CC=CC=C1 SY262826 [0,0,1,0,0,0|3,0,0]=4 154 B11R1.40 O=C(CBr)OC1=CC=CC=C1 SY036432 [0,0,1,0,0,0|2,0,1]=4 155 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SY048553 [0,0,1,0,0,0|1,0,0]=2 156 B13R2.57 BrCC1=NC2=C(C=CC=C2)C=C1 SY018619 [0,0,0,0,0,1|2,0,1]=4 157 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 SY050708 [0,0,0,0,0,1|2,0,1]=4 158 B13R2.57 C1=C2C=CC=CC2=CC=C1OC SY246289 [0,0,0,0,0,1|3,0,0]=4 159 B13R2.57 C1=CC2=CC=C(OC)C=C2C=C1 SY246288 [0,0,0,0,0,1|3,0,0]=4 160 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 SY106378 [0,0,0,0,0,1|2,0,0]=3 161 B13R2.57 COC1=CC2=CC=CC=C2N=C1 SY021113 [0,0,0,0,0,1|3,0,0]=4 162 B13R2.57 COC1=NC2=CC=CC=C2C=C1 SY034140 [0,0,0,0,0,1|3,0,0]=4 163 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 SY018308 [0,0,0,0,0,1|2,0,1]=4 164 B13R2.57 ClCC1=NC=C2C=CC=CC2=N1 SY027936 [0,0,0,0,0,1|2,0,1]=4 165 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=N1 SY062299 [0,0,0,0,0,1|2,0,1]=4 166 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 SY049690 [0,0,0,0,0,1|2,0,1]=4 167 B13R2.57 N#CC1=NC2=CC=CC=C2N=C1 SY024819 [0,0,0,0,0,1|2,0,1]=4 168 B13R2.57 NCC1=CC2=C(C=CC=C2)C=N1 SY035476 [0,0,0,0,0,1|2,0,1]=4 169 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 SY023509 [0,0,0,0,0,1|2,0,1]=4 170 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 SY032005 [0,0,0,0,0,1|2,0,1]=4 171 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 SY034716 [0,0,0,0,0,1|2,0,1]=4 172 B13R2.57 NCC1=NC2=CC=CC=C2N=C1 SY024808 [0,0,0,0,0,1|2,0,1]=4 173 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 SY047024 [0,0,0,0,0,1|3,0,0]=4 174 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 SY049526 [0,0,0,0,0,1|3,0,0]=4 175 B13R2.57 NOC1=CC2=CC=CC=C2N=C1 SY282520 [0,0,0,0,0,1|3,0,0]=4 176 B13R2.57 NOC1=CC2=CC=CC=C2N=C1 SY282521 [0,0,0,0,0,1|3,0,0]=4 177 B13R2.57 NOC1=CC=C2C=CC=CC2=C1 SY282068 [0,0,0,0,0,1|3,0,0]=4 178 B13R2.57 NOC1=CC=C2C=CC=CC2=C1 SY282069 [0,0,0,0,0,1|3,0,0]=4 179 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SY002981 [0,0,0,0,0,1|1,0,0]=2 180 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SY006068 [0,0,0,0,0,1|2,0,0]=3 181 B13R2.57 O=CC1=CC2=CN=CN=C2C=C1 SY277662 [0,0,0,0,0,1|3,0,0]=4 182 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SY050688 [0,0,0,0,0,1|2,0,0]=3 183 B13R2.57 O=CC1=CC=C2N=CC=NC2=C1 SY042757 [0,0,0,0,0,1|3,0,0]=4 184 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 SY019180 [0,0,0,0,0,1|1,0,0]=2 185 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 SY021110 [0,0,0,0,0,1|1,0,2]=4 186 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 SY024806 [0,0,0,0,0,1|1,0,2]=4 187 B10R1.17 N#C\C=C\C1=CC=CC=C1 SY014969 [1,0,1,0,0,0|1,0,1]=4 188 B10R1.17 NC\C=C\C1=CC=CC=C1 SY123671 [1,0,1,0,0,0|1,0,1]=4 189 B10R1.17 O=CC#CC1=CC=CC=C1 SY015622 [1,0,1,0,0,0|0,0,2]=4 190 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [1,0,1,0,0,0|0,0,2]=4 191 B10R1.18 BrC(Br)=CC1=CC=CC=C1 SY022051 [1,0,1,0,0,0|2,0,0]=4 192 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [1,0,1,0,0,0|1,0,1]=4 193 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [1,0,1,0,0,0|1,0,1]=4 194 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [1,0,1,0,0,0|1,0,0]=3 195 B10R1.18 O=C(O)CC1=CC=CN=C1 SY001707 [1,0,1,0,0,0|1,0,1]=4 196 B10R1.18 O=C(O)CC1=CC=NC=C1 SY003595 [1,0,1,0,0,0|1,0,1]=4 197 B10R1.18 O=C(O)CC1=NC=CC=C1 SY003293 [1,0,1,0,0,0|1,0,1]=4 198 B10R2.7 C1=CC2=C(C=C1)NN=C2 SY001125 [2,0,0,0,0,0|2,0,0]=4 199 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [2,0,0,0,0,0|0,0,2]=4 200 B10R2.7 C1=CC2=C(C=CN2)N=C1 SY019307 [2,0,0,0,0,0|2,0,0]=4 201 B10R2.7 C1=CC2=C(C=CS2)N=C1 SY008443 [2,0,0,0,0,0|1,1,0]=4 202 B10R2.7 C1=CC2=C(C=N1)N=CO2 SY129985 [2,0,0,0,0,0|2,0,0]=4 203 B10R2.7 C1=CC2=C(C=N1)SC=C2 SY028707 [2,0,0,0,0,0|1,1,0]=4 204 B10R2.7 C1=CC2=C(N=C1)NC=C2 SY001940 [2,0,0,0,0,0|2,0,0]=4 205 B10R2.7 C1=CC2=C(N=C1)SC=C2 SY009137 [2,0,0,0,0,0|1,1,0]=4 206 B10R2.7 C1=CC2=CC=NC=C2N1 SY005848 [2,0,0,0,0,0|2,0,0]=4 207 B10R2.7 C1=CC2=CC=NN2C=C1 SY007594 [2,0,0,0,0,0|2,0,0]=4 208 B10R2.7 C1=CC2=CN=CC=C2N1 SY009136 [2,0,0,0,0,0|2,0,0]=4 209 B10R2.7 C1=CC2=NC=CN2C=C1 SY024154 [2,0,0,0,0,0|2,0,0]=4 210 B10R2.7 C1=CC=C2NC=NC2=C1 SY012765 [2,0,0,0,0,0|2,0,0]=4 211 B10R2.7 C1=CC=C2SC=CC2=C1 SY246286 [2,0,0,0,0,0|0,1,0]=3 212 B10R2.7 C1=CC=C2[Se]C=CC2=C1 SY263659 [2,0,0,0,0,0|0,1,0]=3 213 B10R2.7 C1=CN=C2C=COC2=C1 SY097654 [2,0,0,0,0,0|1,0,0]=3 214 B10R2.7 C1=CN=C2N=COC2=C1 SY018742 [2,0,0,0,0,0|2,0,0]=4 215 B10R2.7 C1=CN=C2OC=NC2=C1 SY018739 [2,0,0,0,0,0|2,0,0]=4 216 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SY015112 [0,1,1,0,0,0|1,0,0]=3 217 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [0,1,1,0,0,0|0,0,2]=4 218 B12R1.125 O=C(O)COC1=CC=CC=C1F SY008332 [0,1,1,0,0,0|1,0,1]=4 219 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SY009527 [0,1,1,0,0,0|1,0,0]=3 220 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl SY003739 [0,1,1,0,0,0|1,0,0]=3 221 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O SY048367 [0,1,1,0,0,0|0,0,0]=2 222 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl SY127914 [0,1,1,0,0,0|2,0,0]=4 223 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F SY007467 [0,1,1,0,0,0|1,0,0]=3 224 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SY006039 [0,1,1,0,0,0|1,0,0]=3 225 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [0,1,1,0,0,0|0,0,2]=4 226 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [0,1,1,0,0,0|0,0,2]=4 227 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [0,1,1,0,0,0|0,0,2]=4 228 B12R2.18 BrC1=C(Br)C2=CC=CC=C2S1 SY076565 [1,1,0,0,0,0|1,1,0]=4 229 B12R2.18 CC1=CC2=C(C=CC=C2)N1C SY004658 [1,1,0,0,0,0|1,0,1]=4 230 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [1,1,0,0,0,0|1,0,1]=4 231 B12R2.18 CN1C(=O)NC2=CC=CC=C21 SY045893 [1,1,0,0,0,0|2,0,0]=4 232 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 SY247582 [1,1,0,0,0,0|2,0,0]=4 233 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SY016747 [1,1,0,0,0,0|1,0,0]=3 234 B12R2.18 O=C1NC2=CC=CC=C2C1=O SY005277 [1,1,0,0,0,0|1,0,0]=3 235 B12R2.18 O=C1NC2=NC=CC=C2C1=O SY107993 [1,1,0,0,0,0|2,0,0]=4 236 B12R2.18 O=C1OC2=CC=CC=C2C1=O SY023499 [1,1,0,0,0,0|0,0,0]=2 237 B12R2.202 BrC1=C2C=C(I)SC2=CC=C1 SY224136 [1,1,0,0,0,0|1,1,0]=4 238 B12R2.202 CC1=C2N=C(Cl)OC2=CC=C1 SY130043 [1,1,0,0,0,0|2,0,0]=4 239 B12R2.202 CC1=C2N=C(N)OC2=CC=C1 SY130057 [1,1,0,0,0,0|2,0,0]=4 240 B12R2.202 CC1=C2NC(=O)OC2=CC=C1 SY130158 [1,1,0,0,0,0|1,0,0]=3 241 B12R2.202 CC1=C2NC(=S)OC2=CC=C1 SY086235 [1,1,0,0,0,0|1,1,0]=4 242 B12R2.202 CC1=CC2=C(C1)C(Br)=CC=C2 SY035152 [1,1,0,0,0,0|1,0,1]=4 243 B12R2.202 CC1=CC2=C(C=CC=C2Br)N1 SY029702 [1,1,0,0,0,0|1,0,1]=4 244 B12R2.202 CC1=CC2=C(C=CC=[N+]2[O-])O1 SY292168 [1,1,0,0,0,0|1,0,1]=4 245 B12R2.202 CC1=CC2=CC=CC(Br)=C2O1 SY045664 [1,1,0,0,0,0|0,0,1]=3 246 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 SY270252 [1,1,0,0,0,0|1,0,1]=4 247 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 SY009386 [1,1,0,0,0,0|1,0,1]=4 248 B12R2.202 CC1=CC=CC2=C1NC(=O)C2 SY084752 [1,1,0,0,0,0|1,0,1]=4 249 B12R2.202 CC1=NC2=C(C)C=CC=C2O1 SY018726 [1,1,0,0,0,0|1,0,1]=4 250 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 SY130014 [1,1,0,0,0,0|1,0,1]=4 251 B12R2.202 CC1=NC2=C(N)C=CC=C2O1 SY064932 [1,1,0,0,0,0|1,0,1]=4 252 B12R2.202 CC1=NC2=CC=CC(Br)=C2O1 SY018761 [1,1,0,0,0,0|1,0,1]=4 253 B12R2.202 CC1=NC2=CC=CC(Cl)=C2O1 SY130010 [1,1,0,0,0,0|1,0,1]=4 254 B12R2.202 CC1=NC2=CC=CC(F)=C2O1 SY130006 [1,1,0,0,0,0|1,0,1]=4 255 B12R2.202 CC1=NC2=CC=CC(O)=C2O1 SY274444 [1,1,0,0,0,0|1,0,1]=4 256 B12R2.202 ClC1=C2OC(I)=CC2=NC=C1 SY098375 [1,1,0,0,0,0|2,0,0]=4 257 B12R2.202 ClC1=NC2=CC=CC(Br)=C2O1 SY130050 [1,1,0,0,0,0|2,0,0]=4 258 B12R2.202 ClC1=NC2=CC=CC(Cl)=C2O1 SY130052 [1,1,0,0,0,0|2,0,0]=4 259 B12R2.202 FC1=C2N=C(Cl)OC2=CC=C1 SY130055 [1,1,0,0,0,0|2,0,0]=4 260 B12R2.202 FC1=C2NC(=S)OC2=CC=C1 SY130039 [1,1,0,0,0,0|1,1,0]=4 261 B12R2.202 FC1=C2OC(=S)NC2=CC=C1 SY130032 [1,1,0,0,0,0|1,1,0]=4 262 B12R2.202 FC1=C2OC(Cl)=NC2=CC=C1 SY130048 [1,1,0,0,0,0|2,0,0]=4 263 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 SY130163 [1,1,0,0,0,0|1,0,0]=3 264 B12R2.202 NC1=C2NC(=S)OC2=CC=C1 SY130027 [1,1,0,0,0,0|1,1,0]=4 265 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 SY055244 [1,1,0,0,0,0|1,0,0]=3 266 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 SY248415 [1,1,0,0,0,0|1,0,1]=4 267 B12R2.202 NC1=NC2=C(F)C=CC=C2O1 SY130080 [1,1,0,0,0,0|2,0,0]=4 268 B12R2.202 NC1=NC2=C(N)C=CC=C2O1 SY130066 [1,1,0,0,0,0|2,0,0]=4 269 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 SY116064 [1,1,0,0,0,0|2,0,0]=4 270 B12R2.202 NC1=NC2=CC=CC(Cl)=C2O1 SY130060 [1,1,0,0,0,0|2,0,0]=4 271 B12R2.202 NC1=NC2=CC=CC(F)=C2O1 SY130068 [1,1,0,0,0,0|2,0,0]=4 272 B12R2.202 NC1=NC=CC2=C1OC(Cl)=C2 SY262615 [1,1,0,0,0,0|2,0,0]=4 273 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 SY022357 [1,1,0,0,0,0|1,0,1]=4 274 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 SY003107 [1,1,0,0,0,0|1,0,1]=4 275 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 SY009372 [1,1,0,0,0,0|1,0,1]=4 276 B12R2.202 O=C1CC2=C(C=CC=C2F)N1 SY105094 [1,1,0,0,0,0|1,0,1]=4 277 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 SY224083 [1,1,0,0,0,0|1,0,1]=4 278 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 SY036030 [1,1,0,0,0,0|1,0,1]=4 279 B12R2.202 O=C1CC2=C(N1)C(Br)=CC=C2 SY029304 [1,1,0,0,0,0|1,0,1]=4 280 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 SY029301 [1,1,0,0,0,0|1,0,1]=4 281 B12R2.202 O=C1NC2=C(F)C=CC=C2O1 SY130173 [1,1,0,0,0,0|1,0,0]=3 282 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 SY077887 [1,1,0,0,0,0|1,0,0]=3 283 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 SY130170 [1,1,0,0,0,0|1,0,0]=3 284 B12R2.202 O=C1NC2=CC=CC(F)=C2O1 SY130165 [1,1,0,0,0,0|1,0,0]=3 285 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 SY008400 [1,1,0,0,0,0|1,1,0]=4 286 B12R2.202 S=C1NC2=CC=CC(Br)=C2O1 SY130035 [1,1,0,0,0,0|1,1,0]=4 287 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 SY058054 [1,1,0,0,0,0|1,1,0]=4 288 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 SY043096 [1,1,0,0,0,0|1,0,1]=4 289 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 SY064418 [1,1,0,0,0,0|1,0,1]=4 290 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 SY020777 [1,1,0,0,0,0|1,0,1]=4 291 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 SY018752 [1,1,0,0,0,0|1,0,1]=4 292 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 SY036807 [1,1,0,0,0,0|1,0,1]=4 293 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 SY019005 [1,1,0,0,0,0|1,0,1]=4 294 B12R2.606 CC1=CC2=CC(N)=CC=C2O1 SY045624 [1,1,0,0,0,0|0,0,1]=3 295 B12R2.606 CC1=CC=C2N=C(C)OC2=C1 SY130000 [1,1,0,0,0,0|1,0,1]=4 296 B12R2.606 CC1=CC=C2N=C(Cl)OC2=C1 SY130045 [1,1,0,0,0,0|2,0,0]=4 297 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 SY084800 [1,1,0,0,0,0|2,0,0]=4 298 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 SY045908 [1,1,0,0,0,0|2,0,0]=4 299 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 SY081557 [1,1,0,0,0,0|1,0,0]=3 300 B12R2.606 CC1=CC=C2NC(=S)OC2=C1 SY130029 [1,1,0,0,0,0|1,1,0]=4 301 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 SY018737 [1,1,0,0,0,0|1,0,1]=4 302 B12R2.606 CC1=NC2=CC(F)=CC=C2O1 SY018734 [1,1,0,0,0,0|1,0,1]=4 303 B12R2.606 CC1=NC2=CC(N)=CC=C2O1 SY064769 [1,1,0,0,0,0|1,0,1]=4 304 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 SY102193 [1,1,0,0,0,0|1,0,1]=4 305 B12R2.606 CC1=NC2=CC=C(Cl)C=C2O1 SY018758 [1,1,0,0,0,0|1,0,1]=4 306 B12R2.606 CC1=NC2=CC=C(F)C=C2O1 SY129999 [1,1,0,0,0,0|1,0,1]=4 307 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 SY005172 [1,1,0,0,0,0|2,0,0]=4 308 B12R2.606 ClC1=CC2=C(C=C1)NC(I)=C2 SY039517 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.606 ClC1=NC2=CC(Br)=CC=C2O1 SY029225 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.606 ClC1=NC2=CC=C(Br)C=C2O1 SY029221 [1,1,0,0,0,0|2,0,0]=4 311 B12R2.606 FC1=CC=C2N=C(Cl)OC2=C1 SY112662 [1,1,0,0,0,0|2,0,0]=4 312 B12R2.606 FC1=CC=C2NC(=S)OC2=C1 SY130031 [1,1,0,0,0,0|1,1,0]=4 313 B12R2.606 FC1=CC=C2OC(=S)NC2=C1 SY067559 [1,1,0,0,0,0|1,1,0]=4 314 B12R2.606 FC1=CC=C2OC(Cl)=NC2=C1 SY130047 [1,1,0,0,0,0|2,0,0]=4 315 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SY030708 [1,1,0,0,0,0|1,0,1]=4 316 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SY031781 [1,1,0,0,0,0|1,0,1]=4 317 B12R2.606 NC1=CC=C2N=C(N)OC2=C1 SY130064 [1,1,0,0,0,0|2,0,0]=4 318 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 SY007179 [1,1,0,0,0,0|2,0,0]=4 319 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 SY031786 [1,1,0,0,0,0|1,0,0]=3 320 B12R2.606 NC1=CC=C2NC(=O)SC2=C1 SY031792 [1,1,0,0,0,0|1,1,0]=4 321 B12R2.606 NC1=CC=C2NC(=S)OC2=C1 SY130021 [1,1,0,0,0,0|1,1,0]=4 322 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 SY043261 [1,1,0,0,0,0|1,0,0]=3 323 B12R2.606 NC1=CC=C2OC(N)=NC2=C1 SY130062 [1,1,0,0,0,0|2,0,0]=4 324 B12R2.606 NC1=CC=C2OC(S)=NC2=C1 SY130025 [1,1,0,0,0,0|1,1,0]=4 325 B12R2.606 NC1=CC=C2SC(Br)=CC2=C1 SY291084 [1,1,0,0,0,0|1,1,0]=4 326 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 SY005591 [1,1,0,0,0,0|2,0,0]=4 327 B12R2.606 NC1=NC2=CC(Br)=CC=C2O1 SY013293 [1,1,0,0,0,0|2,0,0]=4 328 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 SY130059 [1,1,0,0,0,0|2,0,0]=4 329 B12R2.606 NC1=NC2=CC=C(Br)C=C2O1 SY017659 [1,1,0,0,0,0|2,0,0]=4 330 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 SY086886 [1,1,0,0,0,0|2,0,0]=4 331 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 SY040582 [1,1,0,0,0,0|1,0,1]=4 332 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SY002545 [1,1,0,0,0,0|1,0,1]=4 333 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 SY028412 [1,1,0,0,0,0|1,0,1]=4 334 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 SY023129 [1,1,0,0,0,0|1,0,1]=4 335 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SY008441 [1,1,0,0,0,0|1,0,1]=4 336 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 SY002547 [1,1,0,0,0,0|1,0,1]=4 337 B12R2.606 O=C1CC2=C(C=CC(I)=C2)N1 SY004828 [1,1,0,0,0,0|1,0,1]=4 338 B12R2.606 O=C1CC2=CC(Cl)=CC=C2O1 SY285548 [1,1,0,0,0,0|0,0,1]=3 339 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 SY004439 [1,1,0,0,0,0|1,0,1]=4 340 B12R2.606 O=C1NC2=CC(Br)=CC=C2O1 SY038495 [1,1,0,0,0,0|1,0,0]=3 341 B12R2.606 O=C1NC2=CC(Br)=CN=C2O1 SY059599 [1,1,0,0,0,0|2,0,0]=4 342 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 SY130169 [1,1,0,0,0,0|2,0,0]=4 343 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 SY101449 [1,1,0,0,0,0|1,0,0]=3 344 B12R2.606 O=C1NC2=CC(I)=CC=C2O1 SY268394 [1,1,0,0,0,0|1,0,0]=3 345 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 SY004487 [1,1,0,0,0,0|2,0,0]=4 346 B12R2.606 O=C1NC2=CC=C(Br)C=C2O1 SY038492 [1,1,0,0,0,0|1,0,0]=3 347 B12R2.606 O=C1NC2=CC=C(Br)C=C2S1 SY026443 [1,1,0,0,0,0|1,1,0]=4 348 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 SY039596 [1,1,0,0,0,0|2,0,0]=4 349 B12R2.606 O=C1NC2=CC=C(O)C=C2S1 SY261696 [1,1,0,0,0,0|1,1,0]=4 350 B12R2.606 O=C1NC2=NC(Br)=CC=C2O1 SY059597 [1,1,0,0,0,0|2,0,0]=4 351 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 SY007993 [1,1,0,0,0,0|2,0,0]=4 352 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 SY028333 [1,1,0,0,0,0|2,0,0]=4 353 B12R2.606 S=C1NC2=CC(Br)=CC=C2O1 SY113276 [1,1,0,0,0,0|1,1,0]=4 354 B12R2.606 SC1=NC2=CC=C(Br)C=C2O1 SY047815 [1,1,0,0,0,0|1,1,0]=4 355 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SY185508 [0,1,0,0,1,0|0,0,2]=4 356 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 SY264195 [0,1,0,0,0,1|1,0,0]=3 357 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1Br SY052201 [0,1,0,0,0,1|1,0,0]=3 358 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1F SY038081 [0,1,0,0,0,1|1,0,0]=3 359 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O SY048640 [0,1,0,0,0,1|0,0,0]=2 360 B14R2.142 O=CC1=CC=C2C=CC=C(O)C2=N1 SY011471 [0,1,0,0,0,1|1,0,0]=3 361 B14R2.781 CC(=O)C1=CC2=C(C=C1)N=CC=C2 SY006186 [0,1,0,0,0,1|2,0,0]=4 362 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=C1 SY011820 [0,1,0,0,0,1|1,0,0]=3 363 B14R2.781 CC(=O)C1=NC2=C(C=CC=C2)N=C1 SY005383 [0,1,0,0,0,1|1,0,0]=3 364 B14R2.781 NC(=O)C1=CC=C2C=CC=CC2=C1 SY109446 [0,1,0,0,0,1|1,0,0]=3 365 B14R2.781 NC(=O)C1=CC=C2N=CC=CC2=C1 SY024514 [0,1,0,0,0,1|2,0,0]=4 366 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 SY032750 [0,1,0,0,0,1|1,0,0]=3 367 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 SY005145 [0,1,0,0,0,1|2,0,0]=4 368 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=N1 SY048006 [0,1,0,0,0,1|1,0,0]=3 369 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 SY004162 [0,1,0,0,0,1|1,0,0]=3 370 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 SY003115 [0,1,0,0,0,1|2,0,0]=4 371 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 SY001304 [0,1,0,0,0,1|1,0,0]=3 372 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 SY002404 [0,1,0,0,0,1|1,0,0]=3 373 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 SY112327 [0,1,0,0,0,1|2,0,0]=4 374 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 SY014652 [0,1,0,0,0,1|1,0,0]=3 375 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=N1 SY029484 [0,1,0,0,0,1|1,0,0]=3 376 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 SY064639 [0,1,0,0,0,1|0,0,2]=4 377 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SY003328 [0,1,0,0,0,1|0,0,2]=4 378 B14R2.1128 O=CC1=C(F)C=C2C=CC=CC2=C1 SY275318 [0,1,0,0,0,1|1,0,0]=3 379 B14R2.1128 O=CC1=C(O)C=C2C=CC=CC2=C1 SY028654 [0,1,0,0,0,1|1,0,0]=3 380 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Cl SY034207 [0,1,0,0,0,1|1,0,0]=3 381 B14R2.1128 O=CC1=NC2=CC=CC=C2N=C1Br SY034213 [0,1,0,0,0,1|1,0,0]=3 382 B14R2.1801 O=CC1=CC2=CC=NC(Cl)=C2N=C1 SY274999 [0,1,0,0,0,1|2,0,0]=4 383 B14R2.1801 O=CC1=CC=C2C(F)=CC=CC2=C1 SY274272 [0,1,0,0,0,1|1,0,0]=3 384 B14R2.2332 CC1=NC2=CC=C(C=O)C=C2C=C1 SY023405 [0,1,0,0,0,1|2,0,0]=4 385 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 SY014307 [0,1,0,0,0,1|1,0,0]=3 386 B14R2.2332 O=CC1=CC=C2C=C(Br)C=CC2=C1 SY051412 [0,1,0,0,0,1|1,0,0]=3 387 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SY045236 [0,2,0,0,0,0|1,0,0]=3 388 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 SY045645 [0,2,0,0,0,0|0,0,0]=2 389 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 SY122811 [0,2,0,0,0,0|2,0,0]=4 390 B14R2.768 O=C(O)CC1=NN2C=CC=CC2=C1 SY235443 [0,2,0,0,0,0|2,0,0]=4 391 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 SY021058 [0,2,0,0,0,0|1,0,0]=3 392 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 SY006828 [0,2,0,0,0,0|0,1,0]=3 393 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 SY005381 [0,2,0,0,0,0|2,0,0]=4 394 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 SY045665 [0,2,0,0,0,0|0,0,0]=2 395 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 SY297120 [0,2,0,0,0,0|1,1,0]=4 396 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 SY004470 [0,2,0,0,0,0|2,0,0]=4 397 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 SY189942 [0,2,0,0,0,0|2,0,0]=4 398 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 SY013022 [0,2,0,0,0,0|2,0,0]=4 399 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 SY008568 [0,2,0,0,0,0|2,0,0]=4 400 B14R2.972 O=C(CO)C1=CC2=CC=CC=C2S1 SY131035 [0,2,0,0,0,0|0,1,0]=3 401 B14R2.1060 O=CC1=C(Cl)C2=C(C=CC(Br)=C2)C1 SY264320 [0,2,0,0,0,0|1,0,0]=3 402 B14R2.1060 O=CC1=C(Cl)C2=C(C=CC(Cl)=C2)C1 SY264333 [0,2,0,0,0,0|1,0,0]=3 403 B14R2.1060 O=CC1=C(Cl)C2=C(C=CC(F)=C2)C1 SY264324 [0,2,0,0,0,0|1,0,0]=3 404 B14R2.1095 CC1=CC2=C(C=C1)C(Cl)=C(C=O)C2 SY264345 [0,2,0,0,0,0|1,0,0]=3 405 B14R2.1095 O=CC1=C(Cl)C2=C(C=C(Br)C=C2)C1 SY264312 [0,2,0,0,0,0|1,0,0]=3 406 B14R2.1095 O=CC1=C(Cl)C2=C(C=C(Cl)C=C2)C1 SY264316 [0,2,0,0,0,0|1,0,0]=3 407 B14R2.1095 O=CC1=C(Cl)C2=C(C=C(F)C=C2)C1 SY264328 [0,2,0,0,0,0|1,0,0]=3 408 B14R2.3304 COC1=CC=C2C=C(C#N)OC2=C1 SY045689 [0,2,0,0,0,0|1,0,1]=4 409 B14R2.3304 COC1=CC=C2NC(C=O)=CC2=N1 SY246189 [0,2,0,0,0,0|2,0,0]=4 410 B14R2.4529 CC1=CC2=C(C=N1)NC(C(=O)O)=C2 SY241501 [0,2,0,0,0,0|2,0,0]=4 411 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 SY045632 [0,2,0,0,0,0|0,0,0]=2 412 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 SY045639 [0,2,0,0,0,0|0,0,0]=2 413 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 SY251599 [0,2,0,0,0,0|1,0,0]=3 414 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 SY051129 [0,2,0,0,0,0|1,0,0]=3 415 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SY041968 [0,2,0,0,0,0|1,0,0]=3 416 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 SY101335 [0,2,0,0,0,0|1,0,0]=3 417 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 SY035588 [0,2,0,0,0,0|1,0,0]=3 418 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 SY004252 [0,2,0,0,0,0|1,0,0]=3 419 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 SY022888 [0,2,0,0,0,0|1,0,0]=3 420 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 SY042599 [0,2,0,0,0,0|2,0,0]=4 421 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 SY104077 [0,2,0,0,0,0|0,1,0]=3 422 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 SY049517 [0,2,0,0,0,0|0,0,0]=2 423 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 SY045635 [0,2,0,0,0,0|0,0,0]=2 424 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 SY019649 [0,2,0,0,0,0|0,0,0]=2 425 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 SY041971 [0,2,0,0,0,0|0,1,0]=3 426 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2O1 SY019648 [0,2,0,0,0,0|0,0,0]=2 427 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 SY007313 [0,2,0,0,0,0|2,0,0]=4 428 B14R2.4529 O=C(O)C1=CN2C=C(I)C=CC2=N1 SY039832 [0,2,0,0,0,0|2,0,0]=4 429 B14R2.4529 O=C(O)C1=CN2C=C(O)C=CC2=C1 SY277699 [0,2,0,0,0,0|2,0,0]=4 430 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 SY042044 [0,2,0,0,0,0|2,0,0]=4 431 B14R2.4529 O=C(O)C1=NC2=CC=C(Br)C=C2O1 SY291428 [0,2,0,0,0,0|1,0,0]=3 432 B14R2.450 CC(=O)N1SC2=CC=CC=C2C1=O SY293843 [0,2,0,0,0,0|1,1,0]=4 433 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 SY101248 [0,2,0,0,0,0|1,0,0]=3 434 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SY050484 [0,2,0,0,0,0|1,0,0]=3 435 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O SY104155 [0,2,0,0,0,0|2,0,0]=4 436 B14R2.450 NC(=O)N1SC2=CC=CC=C2C1=O SY293836 [0,2,0,0,0,0|1,1,0]=4 437 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 SY035628 [0,2,0,0,0,0|1,1,0]=4 438 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 SY006239 [0,2,0,0,0,0|1,0,0]=3 439 B14R2.1199 O=CC1=C(Cl)C2=C(C=CC=C2Br)C1 SY264339 [0,2,0,0,0,0|1,0,0]=3 440 B14R2.1199 O=CC1=C(Cl)C2=C(C=CC=C2F)C1 SY264335 [0,2,0,0,0,0|1,0,0]=3 441 B14R2.2151 CC1=CC=CC2=C1CC(C=O)=C2Cl SY264337 [0,2,0,0,0,0|1,0,0]=3 442 B14R2.2151 O=CC1=C(Cl)C2=C(C1)C(Br)=CC=C2 SY264331 [0,2,0,0,0,0|1,0,0]=3 443 B14R2.2151 O=CC1=C(Cl)C2=C(C1)C(Cl)=CC=C2 SY264341 [0,2,0,0,0,0|1,0,0]=3 444 B14R2.2151 O=CC1=C(Cl)C2=C(C1)C(F)=CC=C2 SY264343 [0,2,0,0,0,0|1,0,0]=3 445 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 SY037268 [0,2,0,0,0,0|1,0,0]=3 446 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2O1 SY226910 [0,2,0,0,0,0|0,0,0]=2 447 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 SY031913 [0,2,0,0,0,0|1,0,0]=3 448 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 SY059457 [0,2,0,0,0,0|1,0,0]=3 449 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 SY110415 [0,2,0,0,0,0|1,0,0]=3 450 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2O1 SY285491 [0,2,0,0,0,0|0,0,0]=2 451 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 SY026154 [0,2,0,0,0,0|0,1,0]=3 452 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 SY098773 [0,2,0,0,0,0|2,0,0]=4 453 B14R2.7969 O=C(O)C1=CN2C(Cl)=CC=CC2=N1 SY039836 [0,2,0,0,0,0|2,0,0]=4 454 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 SY102843 [0,2,0,0,0,0|2,0,0]=4 455 B14R2.7969 O=C(O)C1=CN2C=CC=C(Cl)C2=N1 SY039849 [0,2,0,0,0,0|2,0,0]=4 456 B14R2.11647 COC1=C2OC(C#N)=CC2=CC=C1 SY045687 [0,2,0,0,0,0|1,0,1]=4 457 B14R2.11647 COC1=C2OC(CO)=CC2=CC=C1 SY045638 [0,2,0,0,0,0|0,0,2]=4 458 B12R2.24 BrC1=NC2=C(C=CC=C2)C=C1 SY019854 [0,0,1,1,0,0|2,0,0]=4 459 B12R2.24 CC1=CC2=CC=CC=C2N=C1 SY048469 [0,0,1,1,0,0|2,0,0]=4 460 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 SY021114 [0,0,1,1,0,0|2,0,0]=4 461 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 SY055345 [0,0,1,1,0,0|2,0,0]=4 462 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 SY001152 [0,0,1,1,0,0|2,0,0]=4 463 B12R2.24 FC1=CC2=CC=CC=C2N=C1 SY260141 [0,0,1,1,0,0|2,0,0]=4 464 B12R2.24 IC1=CC2=CC=CC=C2N=C1 SY191981 [0,0,1,1,0,0|2,0,0]=4 465 B12R2.24 IC1=CC=C2C=CC=CC2=C1 SY103936 [0,0,1,1,0,0|2,0,0]=4 466 B12R2.24 O=C1C=CC2=C(C=CN=C2)N1 SY129309 [0,0,1,1,0,0|2,0,0]=4 467 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 SY241058 [0,0,1,1,0,0|2,0,0]=4 468 B12R2.24 O=C1CNC2=CC=CC=C2O1 SY292600 [0,0,1,1,0,0|1,0,1]=4 469 B12R2.24 O=C1COC2=C(C=CC=C2)N1 SY007578 [0,0,1,1,0,0|1,0,1]=4 470 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SY009024 [0,0,1,1,0,0|1,0,1]=4 471 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 SY003693 [0,0,1,1,0,0|1,0,1]=4 472 B12R2.196 CC1=C2OCC(=O)C2=CC=C1 SY023821 [0,0,1,1,0,0|0,0,2]=4 473 B12R2.196 O=C1CCC2=C1C=CC=C2O SY020876 [0,0,1,1,0,0|0,0,2]=4 474 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SY097073 [0,0,1,1,0,0|1,0,1]=4 475 B12R2.196 O=C1NOC2=C(Br)C=CC=C12 SY280819 [0,0,1,1,0,0|2,0,0]=4 476 B12R2.196 O=C1NOC2=C(Cl)C=CC=C12 SY280840 [0,0,1,1,0,0|2,0,0]=4 477 B12R2.196 O=C1OCC2=C1C=CC=C2O SY274862 [0,0,1,1,0,0|1,0,1]=4 478 B12R2.196 OC1=C2OC=C(Br)C2=CC=C1 SY278136 [0,0,1,1,0,0|2,0,0]=4 479 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 SY001017 [0,0,1,1,0,0|2,0,0]=4 480 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 SY025840 [0,0,1,1,0,0|2,0,0]=4 481 B12R2.1081 IC1=C2C=CC=CC2=CC=C1 SY024097 [0,0,1,1,0,0|2,0,0]=4 482 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 SY003215 [0,0,1,1,0,0|2,0,0]=4 483 B12R2.1081 OC1=C2N=CC=NC2=CC=C1 SY052766 [0,0,1,1,0,0|2,0,0]=4 484 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 SY021130 [0,0,1,1,0,0|2,0,0]=4 485 B12R2.1081 OC1=CC=CC2=C1C=NC=C2 SY021171 [0,0,1,1,0,0|2,0,0]=4 486 B12R2.1081 OC1=CC=NC2=CC=CC=C12 SY002846 [0,0,1,1,0,0|2,0,0]=4 487 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 SY041595 [0,0,1,1,0,0|2,0,0]=4 488 B12R2.1081 OC1=NC=CC2=C1C=CC=C2 SY004064 [0,0,1,1,0,0|2,0,0]=4 489 B12R2.1 O=CC1=C2C=CC=CC2=NO1 SY246815 [0,0,1,1,0,0|1,0,0]=3 490 B12R2.1 O=CC1=CN=C2C=CC=CN12 SY024152 [0,0,1,1,0,0|2,0,0]=4 491 B12R2.1 O=CC1=COC2=CC=CC=C12 SY023570 [0,0,1,1,0,0|2,0,0]=4 492 B12R2.1 O=CC1=CSC2=C1C=CC=C2 SY014520 [0,0,1,1,0,0|2,0,0]=4 493 B12R2.1 O=CC1=NNC2=C1C=CC=C2 SY004602 [0,0,1,1,0,0|2,0,0]=4 494 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 SY014625 [0,0,1,1,0,0|2,0,0]=4 495 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 SY002555 [0,0,1,1,0,0|2,0,0]=4 496 B12R2.44 O=CC1=CC=C2C=COC2=C1 SY026601 [0,0,1,1,0,0|2,0,0]=4 497 B12R2.315 O=CC1=C2C=COC2=CC=C1 SY024355 [0,0,1,1,0,0|2,0,0]=4 498 B12R2.315 O=CC1=C2NC=CC2=CC=C1 SY007723 [0,0,1,1,0,0|2,0,0]=4 499 B12R2.315 O=CC1=C2OC=CC2=CC=C1 SY024200 [0,0,1,1,0,0|2,0,0]=4 500 B12R2.315 O=CC1=CC=CC2=C1C=CN2 SY013097 [0,0,1,1,0,0|2,0,0]=4 501 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [0,0,1,0,1,0|0,0,2]=4 502 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [0,0,1,0,1,0|0,0,2]=4 503 B10R1.15 O=CC(=O)C1=CC=CC=C1 SY047494 [0,0,1,0,1,0|0,0,1]=3 504 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [0,0,1,0,1,0|1,0,1]=4 505 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [1,0,0,0,1,0|0,0,1]=3 506 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SY004327 [0,0,1,0,0,1|2,0,0]=4 507 B12R2.1041 NC1=CC2=CC=CC=CC2=C1 SY114679 [1,0,0,0,0,1|2,0,0]=4