0 B11R2.10 BrC1=CC2=C(N=CN=C2)N1 MC104463 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.10 BrC1=CC2=C(N=CN=C2)S1 CS17391 [0,0,0,0,0,0|3,1,0]=4 2 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.10 BrC1=CN2C=CC=CC2=N1 CS12525 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 MC442524 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 CS14031 [0,0,0,0,0,0|2,1,0]=3 7 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [0,0,0,0,0,0|2,0,0]=2 8 B11R2.10 CC1=CC2=C(N=CN=C2)N1 MC444432 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [0,0,0,0,0,0|1,0,0]=1 10 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [0,0,0,0,0,0|1,0,0]=1 11 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [0,0,0,0,0,0|2,0,0]=2 12 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [0,0,0,0,0,0|2,0,0]=2 13 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.10 CC1=CN2C=CC=CC2=N1 CS21691 [0,0,0,0,0,0|2,0,0]=2 15 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [0,0,0,0,0,0|2,0,0]=2 16 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [0,0,0,0,0,0|1,0,0]=1 17 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [0,0,0,0,0,0|1,1,0]=2 18 B11R2.10 CC1=NC2=NC=CC=C2N1 CS21659 [0,0,0,0,0,0|3,0,0]=3 19 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [0,0,0,0,0,0|2,0,0]=2 20 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [0,0,0,0,0,0|1,0,2]=3 21 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [0,0,0,0,0,0|1,0,2]=3 22 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [0,0,0,0,0,0|2,0,0]=2 23 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 MC31172 [0,0,0,0,0,0|2,0,0]=2 25 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 CS20002 [0,0,0,0,0,0|2,1,0]=3 26 B11R2.10 ClC1=NC2=C(C=CN=C2)S1 CS13179 [0,0,0,0,0,0|3,1,0]=4 27 B11R2.10 ClC1=NC2=C(C=NC=C2)N1 MC102806 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.10 ClC1=NC2=CC=CN=C2O1 MC442529 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.10 ClC1=NC2=CC=CN=C2S1 CS16822 [0,0,0,0,0,0|3,1,0]=4 30 B11R2.10 ClC1=NC2=NC=CC=C2N1 CS15218 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.10 ClC1=NC2=NC=CC=C2O1 MC115944 [0,0,0,0,0,0|3,0,0]=3 32 B11R2.10 ClC1=NC2=NC=CC=C2S1 CS13069 [0,0,0,0,0,0|3,1,0]=4 33 B11R2.10 ClC1=NN2C=CC=CC2=C1 CS17263 [0,0,0,0,0,0|3,0,0]=3 34 B11R2.10 IC1=CC2=CC=CN=C2N1 CS15616 [0,0,0,0,0,0|3,0,0]=3 35 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [0,0,0,0,0,0|1,1,0]=2 36 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [0,0,0,0,0,0|2,0,0]=2 38 B11R2.10 NC1=NC2=C(C=CC=C2)S1 MC41744 [0,0,0,0,0,0|2,1,0]=3 39 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS16592 [0,0,0,0,0,0|3,0,0]=3 40 B11R2.10 NC1=NC2=C(C=CN=C2)S1 MC441101 [0,0,0,0,0,0|3,1,0]=4 41 B11R2.10 NC1=NC2=C(C=NC=C2)O1 MC443260 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.10 NC1=NC2=C(C=NC=C2)S1 MC113206 [0,0,0,0,0,0|3,1,0]=4 43 B11R2.10 NC1=NC2=CC=CN=C2O1 MC113797 [0,0,0,0,0,0|3,0,0]=3 44 B11R2.10 NC1=NC2=CC=CN=C2O1 MC442528 [0,0,0,0,0,0|3,0,0]=3 45 B11R2.10 NC1=NC2=NC=CC=C2N1 MC442531 [0,0,0,0,0,0|4,0,0]=4 46 B11R2.10 NC1=NC2=NC=CC=C2S1 CS15266 [0,0,0,0,0,0|3,1,0]=4 47 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [0,0,0,0,0,0|2,0,2]=4 48 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [0,0,0,0,0,0|3,0,1]=4 49 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,0,0,0|1,0,1]=2 50 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,0,0,0|2,0,1]=3 51 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,0,0,0|2,0,1]=3 52 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [0,0,0,0,0,0|3,0,1]=4 53 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [0,0,0,0,0,0|2,0,1]=3 54 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [0,0,0,0,0,0|3,0,1]=4 55 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [0,0,0,0,0,0|2,0,0]=2 56 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [0,0,0,0,0,0|4,0,0]=4 57 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [0,0,0,0,0,0|3,0,0]=3 58 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [0,0,0,0,0,0|2,0,0]=2 59 B11R2.10 OC1=CN2C=CC=CC2=N1 CS15598 [0,0,0,0,0,0|3,0,0]=3 60 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [0,0,0,0,0,0|3,0,0]=3 61 B11R2.10 OC1=NC2=C(C=NC=C2)N1 MC425145 [0,0,0,0,0,0|4,0,0]=4 62 B11R2.10 OC1=NN2C=CC=CC2=C1 MC106909 [0,0,0,0,0,0|3,0,0]=3 63 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [0,0,0,0,0,0|2,0,2]=4 64 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [0,0,0,0,0,0|3,0,1]=4 65 B11R2.10 S=C1NC2=C(C=NC=C2)N1 MC425114 [0,0,0,0,0,0|4,0,0]=4 66 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [0,0,0,0,0,0|3,0,0]=3 67 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [0,0,0,0,0,0|2,0,0]=2 68 B11R2.10 SC1=NC2=C(C=CN=C2)S1 CS17732 [0,0,0,0,0,0|3,1,0]=4 69 B11R2.10 SC1=NC2=C(C=NC=C2)S1 MC121173 [0,0,0,0,0,0|3,1,0]=4 70 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,0,0,0|2,0,1]=4 71 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,0,0,0|2,0,0]=3 72 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,0,0,0|1,0,0]=2 73 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,0,0,0|0,0,2]=3 74 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,0,0,0|1,0,1]=3 75 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,0,0,0|0,1,0]=2 76 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [1,0,0,0,0,0|1,1,0]=3 77 B10R2.7 C1=CC2=C(C=CN2)C=N1 CS20237 [1,0,0,0,0,0|2,0,0]=3 78 B10R2.7 C1=CC2=C(C=CS2)C=N1 MC441330 [1,0,0,0,0,0|1,1,0]=3 79 B10R2.7 C1=CC2=C(C=N1)C=NN2 MC442794 [1,0,0,0,0,0|3,0,0]=4 80 B10R2.7 C1=CC2=C(C=N1)NC=N2 CS22307 [1,0,0,0,0,0|3,0,0]=4 81 B10R2.7 C1=CC2=C(C=N1)SC=N2 CS14769 [1,0,0,0,0,0|2,1,0]=4 82 B10R2.7 C1=CC2=C(C=NC=N2)N1 CS20526 [1,0,0,0,0,0|3,0,0]=4 83 B10R2.7 C1=CC2=C(N=N1)NC=C2 MC105641 [1,0,0,0,0,0|3,0,0]=4 84 B10R2.7 C1=CC2=CC=CN2C=C1 MC441215 [1,0,0,0,0,0|2,0,0]=3 85 B10R2.7 C1=CC2=CC=NC=C2N1 CS20238 [1,0,0,0,0,0|2,0,0]=3 86 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [1,0,0,0,0,0|1,0,0]=2 87 B10R2.7 C1=CC2=CC=NC=C2S1 CS13198 [1,0,0,0,0,0|1,1,0]=3 88 B10R2.7 C1=CC2=CC=NN2C=C1 MC106678 [1,0,0,0,0,0|2,0,0]=3 89 B10R2.7 C1=CC2=CN=CN2C=C1 CS17747 [1,0,0,0,0,0|3,0,0]=4 90 B10R2.7 C1=CC2=CN=CNC2=N1 MC444144 [1,0,0,0,0,0|3,0,0]=4 91 B10R2.7 C1=CC2=CNN=C2C=N1 CS15726 [1,0,0,0,0,0|3,0,0]=4 92 B10R2.7 C1=CC2=NC=CN2C=C1 CS18927 [1,0,0,0,0,0|2,0,0]=3 93 B10R2.7 C1=CC2=NC=CN2C=N1 MC443383 [1,0,0,0,0,0|3,0,0]=4 94 B10R2.7 C1=CC2=NC=CN2N=C1 CS19141 [1,0,0,0,0,0|3,0,0]=4 95 B10R2.7 C1=CC2=NN=CN2C=C1 MC33369 [1,0,0,0,0,0|3,0,0]=4 96 B10R2.7 C1=CC2=NNC=C2C=N1 MC442795 [1,0,0,0,0,0|3,0,0]=4 97 B10R2.7 C1=CC2=NON=C2C=C1 CS10977 [1,0,0,0,0,0|3,0,0]=4 98 B10R2.7 C1=CC2=NSN=C2C=C1 CS22942 [1,0,0,0,0,0|3,0,0]=4 99 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,0,0,0|1,0,0]=2 100 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,0,0,0|2,0,1]=4 101 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,0,0,0|2,0,1]=4 102 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,0,0,0|1,0,0]=2 103 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,0,0,0|1,0,2]=4 104 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,0,0,0|2,0,0]=3 105 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,0,0,0|0,0,0]=1 106 B10R2.7 C1=CN2C=CN=C2C=N1 MC425604 [1,0,0,0,0,0|3,0,0]=4 107 B10R2.7 C1=CN2C=CN=C2N=C1 CS14068 [1,0,0,0,0,0|3,0,0]=4 108 B10R2.7 C1=CN=C2C=CNC2=C1 CS20236 [1,0,0,0,0,0|2,0,0]=3 109 B10R2.7 C1=CN=C2C=CSC2=C1 CS14375 [1,0,0,0,0,0|1,1,0]=3 110 B10R2.7 C1=CN=C2C=NNC2=C1 MC442331 [1,0,0,0,0,0|3,0,0]=4 111 B10R2.7 C1=CN=C2N=CNC2=C1 CS14066 [1,0,0,0,0,0|3,0,0]=4 112 B10R2.7 C1=CN=C2NC=CC2=C1 CS10447 [1,0,0,0,0,0|2,0,0]=3 113 B10R2.7 C1=CN=C2NC=CC2=N1 CS22516 [1,0,0,0,0,0|3,0,0]=4 114 B10R2.7 C1=CN=C2NN=CC2=C1 CS18202 [1,0,0,0,0,0|3,0,0]=4 115 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [1,0,0,0,0,0|1,0,0]=2 116 B10R2.7 C1=CN=C2OCOC2=C1 MC111188 [1,0,0,0,0,0|2,0,1]=4 117 B10R2.7 C1=CN=C2SC=CC2=C1 CS14590 [1,0,0,0,0,0|1,1,0]=3 118 B10R2.7 C1=CN=C2SC=CC2=N1 CS12514 [1,0,0,0,0,0|2,1,0]=4 119 B10R2.7 C1=NC=C2NN=CC2=C1 CS17034 [1,0,0,0,0,0|3,0,0]=4 120 B10R2.7 C1=NC=NC2=C1N=CO2 MC107127 [1,0,0,0,0,0|3,0,0]=4 121 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 CS22136 [0,1,0,0,0,0|0,1,0]=2 122 B12R2.18 CC1=C(I)C2=CC=CN=C2N1 MC102012 [0,1,0,0,0,0|2,0,0]=3 123 B12R2.18 CC1=C(N)N2C=CC=CC2=N1 CS21690 [0,1,0,0,0,0|2,0,0]=3 124 B12R2.18 CC1=C(O)C2=NC=CC=C2O1 MC427139 [0,1,0,0,0,0|1,0,0]=2 125 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,1,0,0,0,0|1,0,0]=2 126 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,1,0,0,0,0|1,0,1]=3 127 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,1,0,0,0,0|2,0,0]=3 128 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,1,0,0,0,0|2,0,0]=3 129 B12R2.18 CN1N=C2C=CC=CC2=C1Br MC104938 [0,1,0,0,0,0|2,0,0]=3 130 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,1,0,0,0,0|2,0,0]=3 131 B12R2.18 NC1=C(Br)N=C2C=CC=CN21 MC106323 [0,1,0,0,0,0|3,0,0]=4 132 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,1,0,0,0,0|2,0,0]=3 133 B12R2.18 OC1=NN2C=CC=CC2=C1Br MC103122 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,1,0,0,0,0|1,0,0]=2 135 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 CS20692 [0,1,0,0,0,0|1,1,0]=3 136 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.32 CSC1=CN2C=CC=CC2=C1 MC442361 [0,1,0,0,0,0|2,0,0]=3 138 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,1,0,0,0,0|1,0,0]=2 139 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 MC31173 [0,1,0,0,0,0|1,1,0]=3 140 B12R2.32 CSC1=NC2=NC=CC=C2O1 CS17165 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.32 ClCC1=CN2C=CN=CC2=N1 MC31163 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 CS20901 [0,1,0,0,0,0|2,0,0]=3 143 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,1,0,0,0,0|1,0,0]=2 144 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 CS20895 [0,1,0,0,0,0|1,1,0]=3 145 B12R2.32 ClCC1=NC2=CC=CN=C2O1 MC443743 [0,1,0,0,0,0|2,0,0]=3 146 B12R2.32 ClCC1=NC2=NC=CC=C2N1 MC430241 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,1,0,0,0,0|0,0,1]=2 148 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [0,1,0,0,0,0|0,1,1]=3 149 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [0,1,0,0,0,0|1,0,1]=3 150 B12R2.32 N#CC1=NC2=C(C=CC=C2)N1 MC107181 [0,1,0,0,0,0|2,0,1]=4 151 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,1,0,0,0,0|0,0,0]=1 152 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS14446 [0,1,0,0,0,0|2,0,0]=3 153 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS20888 [0,1,0,0,0,0|2,0,0]=3 154 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 MC425570 [0,1,0,0,0,0|2,0,0]=3 155 B12R2.32 NCC1=NC2=C(C=NC=C2)N1 CS17864 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 MC425757 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,1,0,0,0,0|0,1,1]=3 158 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,1,0,0,0,0|1,0,1]=3 159 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [0,1,0,0,0,0|2,0,1]=4 160 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [0,1,0,0,0,0|1,1,1]=4 161 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,1,0,0,0,0|1,0,1]=3 162 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,1,0,0,0,0|1,0,0]=2 164 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [0,1,0,0,0,0|2,0,0]=3 165 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,1,0,0,0,0|0,0,2]=3 166 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,1,0,0,0,0|1,0,2]=4 167 B12R2.95 CC1(C)OC2=C(C=CC=C2)O1 CS17049 [0,1,0,0,0,0|1,0,1]=3 168 B12R2.95 ClC1(Cl)OC2=C(C=CC=C2)O1 MC41771 [0,1,0,0,0,0|2,0,1]=4 169 B12R2.95 FC1(F)OC2=C(C=CC=C2)O1 CS20973 [0,1,0,0,0,0|2,0,1]=4 170 B12R2.202 BrC1=C2C=C(I)NC2=NC=C1 MC115891 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [0,1,0,0,0,0|2,0,1]=4 172 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 CS14478 [0,1,0,0,0,0|1,0,0]=2 173 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 MC113261 [0,1,0,0,0,0|2,0,0]=3 174 B12R2.202 CC1=CC2=C(C=CN=C2Cl)S1 MC100152 [0,1,0,0,0,0|1,1,0]=3 175 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 MC104045 [0,1,0,0,0,0|2,0,0]=3 176 B12R2.202 CC1=CC2=C(Cl)N=CC=C2N1 MC107257 [0,1,0,0,0,0|2,0,0]=3 177 B12R2.202 CC1=CC2=C(N=CN=C2Cl)N1 CS12364 [0,1,0,0,0,0|3,0,0]=4 178 B12R2.202 CC1=CC2=C(N=CN=C2N)N1 MC105451 [0,1,0,0,0,0|3,0,0]=4 179 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 MC104046 [0,1,0,0,0,0|2,0,0]=3 180 B12R2.202 CC1=CC2=CC=NC(Cl)=C2N1 MC104572 [0,1,0,0,0,0|2,0,0]=3 181 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 MC104017 [0,1,0,0,0,0|1,0,0]=2 182 B12R2.202 CC1=CC2=NC=CC(Cl)=C2S1 MC101941 [0,1,0,0,0,0|1,1,0]=3 183 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 MC31057 [0,1,0,0,0,0|2,1,0]=4 184 B12R2.202 CC1=CC=CC2=C1NC(=S)S2 MC31091 [0,1,0,0,0,0|2,1,0]=4 185 B12R2.202 CC1=CN2C(Br)=CC=CC2=N1 MC441093 [0,1,0,0,0,0|2,0,0]=3 186 B12R2.202 CC1=CN2C=CC=C(N)C2=N1 CS12224 [0,1,0,0,0,0|2,0,0]=3 187 B12R2.202 CC1=CN2C=CN=C(Cl)C2=N1 CS12763 [0,1,0,0,0,0|3,0,0]=4 188 B12R2.202 CC1=NC2=C(C=CC=C2Br)N1 CS14639 [0,1,0,0,0,0|2,0,0]=3 189 B12R2.202 CC1=NC2=C(C=CC=C2Br)O1 MC442517 [0,1,0,0,0,0|1,0,0]=2 190 B12R2.202 CC1=NC2=C(C=CC=C2Br)S1 MC427102 [0,1,0,0,0,0|1,1,0]=3 191 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 CS12799 [0,1,0,0,0,0|1,0,0]=2 192 B12R2.202 CC1=NC2=C(S1)C(Br)=CC=C2 CS17820 [0,1,0,0,0,0|1,1,0]=3 193 B12R2.202 CC1=NC2=NC=NC(=O)C2=C1 MC104467 [0,1,0,0,0,0|3,0,0]=4 194 B12R2.202 CC1=NN2C(Cl)=CC=NC2=C1 CS17375 [0,1,0,0,0,0|3,0,0]=4 195 B12R2.202 CN1C=C2C(Cl)=CC=NC2=N1 MC104807 [0,1,0,0,0,0|3,0,0]=4 196 B12R2.202 CN1C=C2C=CC=C(Br)C2=N1 CS12326 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.202 CN1C=C2C=CN=C(Cl)C2=N1 MC102723 [0,1,0,0,0,0|3,0,0]=4 198 B12R2.202 ClC1=C2C=C(I)NC2=NC=C1 MC444334 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.202 ClC1=C2OC(I)=CC2=NC=C1 MC104018 [0,1,0,0,0,0|2,0,0]=3 200 B12R2.202 ClC1=C2SC(Br)=CC2=NC=C1 MC444176 [0,1,0,0,0,0|2,1,0]=4 201 B12R2.202 ClC1=CC=CC2=C1N=C(Br)N2 MC106094 [0,1,0,0,0,0|3,0,0]=4 202 B12R2.202 ClC1=CC=CC2=C1N=C(Cl)N2 MC106093 [0,1,0,0,0,0|3,0,0]=4 203 B12R2.202 ClC1=CC=CC2=C1N=C(Cl)S2 CS14203 [0,1,0,0,0,0|2,1,0]=4 204 B12R2.202 ClC1=CC=CC2=C1SC(Cl)=N2 MC115940 [0,1,0,0,0,0|2,1,0]=4 205 B12R2.202 ClC1=NC2=C(C=CC=C2Br)S1 CS13851 [0,1,0,0,0,0|2,1,0]=4 206 B12R2.202 FC1=CC=CC2=C1N=C(Cl)N2 CS20700 [0,1,0,0,0,0|3,0,0]=4 207 B12R2.202 FC1=CC=CC2=C1N=C(Cl)S2 CS13850 [0,1,0,0,0,0|2,1,0]=4 208 B12R2.202 FC1=CC=CC2=C1NC(=S)S2 MC31062 [0,1,0,0,0,0|2,1,0]=4 209 B12R2.202 FC1=CC=CC2=C1SC(S)=N2 MC430993 [0,1,0,0,0,0|2,1,0]=4 210 B12R2.202 NC1=CC2=C(C=CC=C2Br)S1 MC104026 [0,1,0,0,0,0|1,1,0]=3 211 B12R2.202 NC1=CC=CC2=C1SC(N)=N2 MC427076 [0,1,0,0,0,0|2,1,0]=4 212 B12R2.202 NC1=NC2=C(C=CC=C2Br)S1 MC427242 [0,1,0,0,0,0|2,1,0]=4 213 B12R2.202 NC1=NC2=C(C=CC=C2Cl)N1 CS16891 [0,1,0,0,0,0|3,0,0]=4 214 B12R2.202 NC1=NC2=C(C=CC=C2Cl)S1 CS20101 [0,1,0,0,0,0|2,1,0]=4 215 B12R2.202 NC1=NC2=C(C=CC=C2F)S1 CS21249 [0,1,0,0,0,0|2,1,0]=4 216 B12R2.202 NC1=NC2=C(C=CC=C2O)S1 CS21252 [0,1,0,0,0,0|2,1,0]=4 217 B12R2.202 NC1=NC2=C(S1)C(F)=CC=C2 MC434028 [0,1,0,0,0,0|2,1,0]=4 218 B12R2.202 NC1=NN2C=CC=C(Br)C2=C1 MC104454 [0,1,0,0,0,0|3,0,0]=4 219 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 CS18574 [0,1,0,0,0,0|2,0,1]=4 220 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 CS18158 [0,1,0,0,0,0|2,0,1]=4 221 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS22838 [0,1,0,0,0,0|2,0,1]=4 222 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [0,1,0,0,0,0|2,0,1]=4 223 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [0,1,0,0,0,0|2,0,1]=4 224 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [0,1,0,0,0,0|2,0,1]=4 225 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [0,1,0,0,0,0|2,0,1]=4 226 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 MC31137 [0,1,0,0,0,0|2,1,0]=4 227 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 CS15435 [0,1,0,0,0,0|2,1,0]=4 228 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [0,1,0,0,0,0|2,0,0]=3 229 B12R2.202 O=C1NC2=C(S1)C(Cl)=CC=C2 CS17214 [0,1,0,0,0,0|2,1,0]=4 230 B12R2.202 OC1=C2N=C(Br)SC2=CC=C1 CS17617 [0,1,0,0,0,0|2,1,0]=4 231 B12R2.202 S=C1NC2=C(S1)C(Cl)=CC=C2 CS17215 [0,1,0,0,0,0|2,1,0]=4 232 B12R2.202 SC1=NC2=C(C=CC=C2Cl)S1 CS16409 [0,1,0,0,0,0|2,1,0]=4 233 B12R2.202 SC1=NC2=C(S1)C(Br)=CC=C2 MC107031 [0,1,0,0,0,0|2,1,0]=4 234 B12R2.606 BrC1=CC2=C(C=C1)N=C(Br)S2 CS14310 [0,1,0,0,0,0|2,1,0]=4 235 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [0,1,0,0,0,0|0,0,0]=1 236 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 MC425571 [0,1,0,0,0,0|2,0,0]=3 237 B12R2.606 CC1=CC2=C(C=C1)N=C(S)S2 MC31092 [0,1,0,0,0,0|2,1,0]=4 238 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 CS11036 [0,1,0,0,0,0|1,0,0]=2 239 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 CS10859 [0,1,0,0,0,0|2,1,0]=4 240 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 MC441288 [0,1,0,0,0,0|0,0,0]=1 241 B12R2.606 CC1=CC2=C(N=C(Cl)N=C2)N1 MC101940 [0,1,0,0,0,0|3,0,0]=4 242 B12R2.606 CC1=CC2=C(N=C(Cl)N=C2)S1 MC103578 [0,1,0,0,0,0|2,1,0]=4 243 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 MC433913 [0,1,0,0,0,0|1,0,0]=2 244 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 MC425648 [0,1,0,0,0,0|2,0,0]=3 245 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 CS11005 [0,1,0,0,0,0|1,0,0]=2 246 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS21722 [0,1,0,0,0,0|1,0,0]=2 247 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 CS12813 [0,1,0,0,0,0|1,0,0]=2 248 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 MC103158 [0,1,0,0,0,0|1,0,0]=2 249 B12R2.606 CC1=CC2=NC(Br)=CN=C2N1 MC105164 [0,1,0,0,0,0|3,0,0]=4 250 B12R2.606 CC1=CC2=NC(C)=CN2C=C1 MC102731 [0,1,0,0,0,0|2,0,0]=3 251 B12R2.606 CC1=CC2=NC(Cl)=CC=C2N1 MC105276 [0,1,0,0,0,0|2,0,0]=3 252 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 CS15359 [0,1,0,0,0,0|1,0,0]=2 253 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,1,0,0,0,0|2,0,1]=4 254 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [0,1,0,0,0,0|2,0,1]=4 255 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 CS10011 [0,1,0,0,0,0|1,0,0]=2 256 B12R2.606 CC1=CN2C=C(Br)N=CC2=N1 CS12392 [0,1,0,0,0,0|3,0,0]=4 257 B12R2.606 CC1=CN2N=C(Cl)C=CC2=N1 CS11479 [0,1,0,0,0,0|3,0,0]=4 258 B12R2.606 CC1=CN2N=C(N)C=CC2=N1 CS16548 [0,1,0,0,0,0|3,0,0]=4 259 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 CS10632 [0,1,0,0,0,0|1,0,0]=2 260 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)S1 CS10630 [0,1,0,0,0,0|1,1,0]=3 261 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [0,1,0,0,0,0|1,0,0]=2 262 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 MC442521 [0,1,0,0,0,0|2,0,0]=3 263 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 MC425565 [0,1,0,0,0,0|2,0,0]=3 264 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [0,1,0,0,0,0|1,0,0]=2 265 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 MC427474 [0,1,0,0,0,0|1,1,0]=3 266 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 CS10270 [0,1,0,0,0,0|2,0,0]=3 267 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 MC442516 [0,1,0,0,0,0|1,0,0]=2 268 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 MC20465 [0,1,0,0,0,0|1,0,0]=2 269 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)S1 MC31005 [0,1,0,0,0,0|1,1,0]=3 270 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS12509 [0,1,0,0,0,0|2,0,0]=3 271 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS21670 [0,1,0,0,0,0|2,0,0]=3 272 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS16740 [0,1,0,0,0,0|1,0,0]=2 273 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 MC442527 [0,1,0,0,0,0|2,0,0]=3 274 B12R2.606 CC1=NC2=CC(Br)=CN=C2S1 CS17625 [0,1,0,0,0,0|2,1,0]=4 275 B12R2.606 CC1=NC2=CC=C(Br)N=C2N1 CS15098 [0,1,0,0,0,0|3,0,0]=4 276 B12R2.606 CC1=NC2=NC=C(Br)C=C2N1 MC442532 [0,1,0,0,0,0|3,0,0]=4 277 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 CS13431 [0,1,0,0,0,0|2,0,0]=3 278 B12R2.606 CC1=NN2C=C(Br)C=CC2=N1 CS10629 [0,1,0,0,0,0|3,0,0]=4 279 B12R2.606 CC1=NN2C=CC(Cl)=NC2=C1 CS14612 [0,1,0,0,0,0|3,0,0]=4 280 B12R2.606 CN1C=C2C=C(N)C=NC2=N1 MC104664 [0,1,0,0,0,0|3,0,0]=4 281 B12R2.606 Cc1nc2cc(Br)ccc2s1 CS10712 [0,1,0,0,0,0|1,1,0]=3 282 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [0,1,0,0,0,0|2,0,0]=3 283 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)S2 CS14201 [0,1,0,0,0,0|2,1,0]=4 284 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 MC31128 [0,1,0,0,0,0|2,0,0]=3 285 B12R2.606 ClC1=CC2=C(C=C1)SC(Cl)=N2 CS12108 [0,1,0,0,0,0|2,1,0]=4 286 B12R2.606 ClC1=CC2=NC(Cl)=CN2C=C1 CS18100 [0,1,0,0,0,0|3,0,0]=4 287 B12R2.606 ClC1=CN2N=C(Br)C=C2C=C1 MC104786 [0,1,0,0,0,0|3,0,0]=4 288 B12R2.606 ClC1=CN=C2NC(I)=CC2=C1 CS15797 [0,1,0,0,0,0|3,0,0]=4 289 B12R2.606 ClC1=NC2=C(C=C(Br)C=C2)S1 CS19651 [0,1,0,0,0,0|2,1,0]=4 290 B12R2.606 ClC1=NC2=C(C=C(I)C=C2)S1 MC427526 [0,1,0,0,0,0|2,1,0]=4 291 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 CS13138 [0,1,0,0,0,0|2,0,0]=3 292 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)S1 CS12810 [0,1,0,0,0,0|2,1,0]=4 293 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 MC100186 [0,1,0,0,0,0|3,0,0]=4 294 B12R2.606 FC1=CC2=C(C=C1)N=C(Br)S2 CS13744 [0,1,0,0,0,0|2,1,0]=4 295 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [0,1,0,0,0,0|2,0,0]=3 296 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)S2 CS14287 [0,1,0,0,0,0|2,1,0]=4 297 B12R2.606 FC1=CC2=C(C=C1)NC(Cl)=N2 CS21463 [0,1,0,0,0,0|3,0,0]=4 298 B12R2.606 FC1=CC2=C(C=C1)SC(Cl)=N2 CS14444 [0,1,0,0,0,0|2,1,0]=4 299 B12R2.606 NC1=CC2=C(C=C1)N=C(Br)S2 CS12811 [0,1,0,0,0,0|2,1,0]=4 300 B12R2.606 NC1=CC2=C(C=C1)N=C(Cl)S2 CS21493 [0,1,0,0,0,0|2,1,0]=4 301 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [0,1,0,0,0,0|3,0,0]=4 302 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [0,1,0,0,0,0|2,0,0]=3 303 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [0,1,0,0,0,0|2,0,1]=4 304 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [0,1,0,0,0,0|2,0,1]=4 305 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [0,1,0,0,0,0|2,0,1]=4 306 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 MC443172 [0,1,0,0,0,0|2,0,0]=3 307 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)S1 CS20076 [0,1,0,0,0,0|2,1,0]=4 308 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)S1 MC31236 [0,1,0,0,0,0|2,1,0]=4 309 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 CS21825 [0,1,0,0,0,0|2,1,0]=4 310 B12R2.606 NC1=NC2=C(C=C(I)C=C2)S1 MC427194 [0,1,0,0,0,0|2,1,0]=4 311 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 CS10239 [0,1,0,0,0,0|3,0,0]=4 312 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 CS17918 [0,1,0,0,0,0|3,0,0]=4 313 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 MC106736 [0,1,0,0,0,0|2,0,0]=3 314 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)S1 CS19725 [0,1,0,0,0,0|2,1,0]=4 315 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)S1 CS20102 [0,1,0,0,0,0|2,1,0]=4 316 B12R2.606 NC1=NC2=C(C=CC(F)=C2)S1 MC31078 [0,1,0,0,0,0|2,1,0]=4 317 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 MC443404 [0,1,0,0,0,0|3,0,0]=4 318 B12R2.606 O=C1C=C2C=C(Br)N=CC2=N1 MC103537 [0,1,0,0,0,0|3,0,0]=4 319 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [0,1,0,0,0,0|2,0,1]=4 320 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [0,1,0,0,0,0|2,0,1]=4 321 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [0,1,0,0,0,0|2,0,1]=4 322 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [0,1,0,0,0,0|2,0,1]=4 323 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [0,1,0,0,0,0|2,0,1]=4 324 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [0,1,0,0,0,0|2,0,1]=4 325 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [0,1,0,0,0,0|3,0,0]=4 326 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [0,1,0,0,0,0|2,0,0]=3 327 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 CS15336 [0,1,0,0,0,0|2,1,0]=4 328 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [0,1,0,0,0,0|3,0,0]=4 329 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 MC31174 [0,1,0,0,0,0|2,1,0]=4 330 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [0,1,0,0,0,0|3,0,0]=4 331 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [0,1,0,0,0,0|2,1,0]=4 332 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [0,1,0,0,0,0|3,0,0]=4 333 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [0,1,0,0,0,0|2,0,0]=3 334 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 MC445105 [0,1,0,0,0,0|3,0,0]=4 335 B12R2.606 OC1=CC2=C(C=C1)N=C(Br)S2 CS12817 [0,1,0,0,0,0|2,1,0]=4 336 B12R2.606 OC1=CC2=C(C=C1)N=C(S)S2 MC106712 [0,1,0,0,0,0|2,1,0]=4 337 B12R2.606 OC1=CC2=C(C=C1)SC(Br)=N2 MC111616 [0,1,0,0,0,0|2,1,0]=4 338 B12R2.606 OC1=CC2=C(C=C1)SC(Cl)=N2 MC111617 [0,1,0,0,0,0|2,1,0]=4 339 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)S1 CS10628 [0,1,0,0,0,0|2,1,0]=4 340 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 CS10329 [0,1,0,0,0,0|2,0,0]=3 341 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)S1 MC31159 [0,1,0,0,0,0|2,1,0]=4 342 B12R2.606 SC1=NC2=C(C=C(Cl)C=C2)S1 MC31157 [0,1,0,0,0,0|2,1,0]=4 343 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)O1 CS10298 [0,1,0,0,0,0|2,0,0]=3 344 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)S1 CS15712 [0,1,0,0,0,0|2,1,0]=4 345 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [0,0,1,0,0,0|1,0,1]=3 346 B10R1.4 CCOC1=C(Br)C=NC=C1 MC443330 [0,0,1,0,0,0|2,0,1]=4 347 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [0,0,1,0,0,0|1,0,1]=3 348 B10R1.4 CCOC1=C(N)C=CN=C1 MC442472 [0,0,1,0,0,0|2,0,1]=4 349 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [0,0,1,0,0,0|1,0,1]=3 350 B10R1.4 CCOC1=CC=CN=C1C MC443397 [0,0,1,0,0,0|1,0,2]=4 351 B10R1.4 CCOC1=CC=CN=C1O MC110935 [0,0,1,0,0,0|2,0,1]=4 352 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [0,0,1,0,0,0|2,0,1]=4 353 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [0,0,1,0,0,0|2,0,1]=4 354 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [0,0,1,0,0,0|2,0,1]=4 355 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [0,0,1,0,0,0|1,0,2]=4 356 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC106948 [0,0,1,0,0,0|3,0,0]=4 357 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC433456 [0,0,1,0,0,0|3,0,0]=4 358 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [0,0,1,0,0,0|1,0,0]=2 359 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [0,0,1,0,0,0|2,0,0]=3 360 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,1,0,0,0|1,0,2]=4 361 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,1,0,0,0|1,0,2]=4 362 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,1,0,0,0|1,0,2]=4 363 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,1,0,0,0|1,0,1]=3 364 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [0,0,1,0,0,0|1,0,2]=4 365 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [0,0,1,0,0,0|1,0,2]=4 366 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [0,0,1,0,0,0|0,0,2]=3 367 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [0,0,1,0,0,0|2,0,1]=4 368 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,1,0,0,0|2,0,1]=4 369 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,1,0,0,0|2,0,0]=3 370 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,1,0,0,0|2,0,0]=3 371 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,1,0,0,0|2,0,1]=4 372 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [0,0,1,0,0,0|2,0,1]=4 373 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [0,0,1,0,0,0|2,0,1]=4 374 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,1,0,0,0|2,0,1]=4 375 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,1,0,0,0|1,0,2]=4 376 B10R2.2 BrC1=CC2=C(C=CS2)S1 MC113924 [0,0,0,0,1,0|2,1,0]=4 377 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [0,0,0,0,0,1|2,0,0]=3 378 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [0,0,0,0,0,1|2,0,0]=3 379 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [0,0,0,0,0,1|2,0,0]=3 380 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 MC442578 [0,0,0,0,0,1|3,0,0]=4 381 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 CS22124 [0,0,0,0,0,1|3,0,0]=4 382 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [0,0,0,0,0,1|3,0,0]=4 383 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [0,0,0,0,0,1|3,0,0]=4 384 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [0,0,0,0,0,1|3,0,0]=4 385 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [0,0,0,0,0,1|3,0,0]=4 386 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [0,0,0,0,0,1|2,0,0]=3 387 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 MC440083 [0,0,0,0,0,1|2,0,0]=3 388 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS19018 [0,0,0,0,0,1|2,0,0]=3 389 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [0,0,0,0,0,1|1,0,0]=2 390 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,0,0,0,0,1|1,0,0]=2 391 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [0,0,0,0,0,1|2,0,0]=3 392 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [0,0,0,0,0,1|2,0,0]=3 393 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [0,0,0,0,0,1|2,0,0]=3 394 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS15412 [0,0,0,0,0,1|3,0,0]=4 395 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 MC106658 [0,0,0,0,0,1|2,0,0]=3 396 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,0,0,0,0,1|1,0,0]=2 397 B12R2.24 CC1=NC2=CN=CC=C2C=C1 MC111420 [0,0,0,0,0,1|2,0,0]=3 398 B12R2.24 CC1=NC2=NC=CC=C2C=C1 CS18023 [0,0,0,0,0,1|2,0,0]=3 399 B12R2.24 CC1=NC2=NC=CN=C2C=C1 MC445685 [0,0,0,0,0,1|3,0,0]=4 400 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,0,0,0,0,1|1,0,2]=4 401 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,0,0,1|2,0,1]=4 402 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [0,0,0,0,0,1|2,0,0]=3 403 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [0,0,0,0,0,1|2,0,0]=3 404 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [0,0,0,0,0,1|3,0,0]=4 405 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [0,0,0,0,0,1|3,0,0]=4 406 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [0,0,0,0,0,1|3,0,0]=4 407 B12R2.24 ClC1=CN=C2C=CC=NC2=N1 CS17190 [0,0,0,0,0,1|3,0,0]=4 408 B12R2.24 ClC1=NC2=C(C=CC=N2)C=N1 MC103563 [0,0,0,0,0,1|3,0,0]=4 409 B12R2.24 ClC1=NC2=C(C=CN=C2)C=N1 MC103930 [0,0,0,0,0,1|3,0,0]=4 410 B12R2.24 ClC1=NC2=C(C=N1)N=CC=C2 MC103931 [0,0,0,0,0,1|3,0,0]=4 411 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [0,0,0,0,0,1|2,0,0]=3 412 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 CS19965 [0,0,0,0,0,1|2,0,0]=3 413 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 CS16799 [0,0,0,0,0,1|3,0,0]=4 414 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [0,0,0,0,0,1|2,0,0]=3 415 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [0,0,0,0,0,1|3,0,0]=4 416 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [0,0,0,0,0,1|3,0,0]=4 417 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [0,0,0,0,0,1|3,0,0]=4 418 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [0,0,0,0,0,1|2,0,0]=3 419 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [0,0,0,0,0,1|2,0,0]=3 420 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [0,0,0,0,0,1|2,0,0]=3 421 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [0,0,0,0,0,1|3,0,0]=4 422 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [0,0,0,0,0,1|3,0,0]=4 423 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [0,0,0,0,0,1|3,0,0]=4 424 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [0,0,0,0,0,1|3,0,0]=4 425 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [0,0,0,0,0,1|2,0,0]=3 426 B12R2.24 NC1=NC2=CC=CN=C2C=C1 MC115906 [0,0,0,0,0,1|3,0,0]=4 427 B12R2.24 NC1=NC2=NC=CC=C2C=C1 CS20558 [0,0,0,0,0,1|3,0,0]=4 428 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,0,0,0,1|2,0,0]=3 429 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [0,0,0,0,0,1|3,0,0]=4 430 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 CS17925 [0,0,0,0,0,1|3,0,0]=4 431 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,0,0,1|2,0,1]=4 432 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,0,0,1|2,0,1]=4 433 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,0,0,1|1,0,1]=3 434 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,0,0,1|2,0,0]=3 435 B12R2.24 O=C1COC2=C(C=CN=C2)N1 MC425525 [0,0,0,0,0,1|3,0,0]=4 436 B12R2.24 O=C1COC2=C(C=NC=C2)N1 MC425642 [0,0,0,0,0,1|3,0,0]=4 437 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,0,0,1|1,1,1]=4 438 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [0,0,0,0,0,1|2,0,0]=3 439 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [0,0,0,0,0,1|2,0,0]=3 440 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [0,0,0,0,0,1|3,0,0]=4 441 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [0,0,0,0,0,1|3,0,0]=4 442 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [0,0,0,0,0,1|3,0,0]=4 443 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [0,0,0,0,0,1|2,0,0]=3 444 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MC442462 [0,0,0,0,0,1|3,0,0]=4 445 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [0,0,0,0,0,1|3,0,0]=4 446 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,1,0,0,0|1,0,1]=4 447 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,1,0,0,0|1,0,1]=4 448 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,1,0,0,0|1,0,1]=4 449 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,1,0,0,0|1,0,1]=4 450 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,1,0,0,0|1,0,1]=4 451 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,1,0,0,0|1,0,1]=4 452 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,1,0,0,0|1,0,0]=3 453 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,1,0,0,0|0,0,2]=4 454 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,1,0,0,0|1,0,1]=4 455 B9R1.15 C#CC1=C(O)C=CC=C1 CS21538 [1,0,1,0,0,0|0,0,2]=4 456 B9R1.15 C=CC1=C(Br)C=CC=C1 CS18853 [1,0,1,0,0,0|1,0,0]=3 457 B9R1.15 C=CC1=C(Cl)C=CC=C1 CS19873 [1,0,1,0,0,0|1,0,0]=3 458 B9R1.15 C=CC1=CC=CN=C1N MC103094 [1,0,1,0,0,0|2,0,0]=4 459 B9R1.15 CC1=CC=CC=C1C=O CS19114 [1,0,1,0,0,0|1,0,1]=4 460 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [1,0,1,0,0,0|1,0,1]=4 461 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [1,0,1,0,0,0|0,0,2]=4 462 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [1,0,1,0,0,0|1,0,1]=4 463 B9R1.15 CNC1=C(Cl)C=CC=C1 MC40890 [1,0,1,0,0,0|2,0,0]=4 464 B9R1.15 CNC1=C(F)C=CC=C1 CS13895 [1,0,1,0,0,0|2,0,0]=4 465 B9R1.15 CNC1=CC=CC=C1N CS22302 [1,0,1,0,0,0|2,0,0]=4 466 B9R1.15 COC1=C(Br)C=CC=C1 CS19150 [1,0,1,0,0,0|1,0,0]=3 467 B9R1.15 COC1=C(Br)C=CN=C1 CS14715 [1,0,1,0,0,0|2,0,0]=4 468 B9R1.15 COC1=C(Br)C=NC=C1 CS18491 [1,0,1,0,0,0|2,0,0]=4 469 B9R1.15 COC1=C(C)C=CN=C1 MC443637 [1,0,1,0,0,0|1,0,1]=4 470 B9R1.15 COC1=C(C)C=NC=C1 MC33476 [1,0,1,0,0,0|1,0,1]=4 471 B9R1.15 COC1=C(Cl)C=CN=C1 MC442708 [1,0,1,0,0,0|2,0,0]=4 472 B9R1.15 COC1=C(F)C=CC=C1 CS19904 [1,0,1,0,0,0|1,0,0]=3 473 B9R1.15 COC1=C(F)C=NC=C1 CS16194 [1,0,1,0,0,0|2,0,0]=4 474 B9R1.15 COC1=C(I)C=CC=C1 MC41341 [1,0,1,0,0,0|1,0,0]=3 475 B9R1.15 COC1=C(I)C=CN=C1 MC106301 [1,0,1,0,0,0|2,0,0]=4 476 B9R1.15 COC1=C(I)C=NC=C1 CS18542 [1,0,1,0,0,0|2,0,0]=4 477 B9R1.15 COC1=C(N)C=CC=C1 CS11812 [1,0,1,0,0,0|1,0,0]=3 478 B9R1.15 COC1=C(N)C=CN=C1 CS22564 [1,0,1,0,0,0|2,0,0]=4 479 B9R1.15 COC1=C(N)C=NC=C1 CS18248 [1,0,1,0,0,0|2,0,0]=4 480 B9R1.15 COC1=C(O)C=CC=C1 MC41202 [1,0,1,0,0,0|1,0,0]=3 481 B9R1.15 COC1=C(O)C=CN=C1 MC443266 [1,0,1,0,0,0|2,0,0]=4 482 B9R1.15 COC1=CC=CN=C1Br CS19255 [1,0,1,0,0,0|2,0,0]=4 483 B9R1.15 COC1=CC=CN=C1Cl CS19305 [1,0,1,0,0,0|2,0,0]=4 484 B9R1.15 COC1=CC=CN=C1F CS13044 [1,0,1,0,0,0|2,0,0]=4 485 B9R1.15 COC1=CC=CN=C1N CS17216 [1,0,1,0,0,0|2,0,0]=4 486 B9R1.15 COC1=NC=CC=C1Br CS19258 [1,0,1,0,0,0|2,0,0]=4 487 B9R1.15 COC1=NC=CC=C1C MC33438 [1,0,1,0,0,0|1,0,1]=4 488 B9R1.15 COC1=NC=CC=C1Cl CS18705 [1,0,1,0,0,0|2,0,0]=4 489 B9R1.15 COC1=NC=CC=C1F CS19564 [1,0,1,0,0,0|2,0,0]=4 490 B9R1.15 COC1=NC=CC=C1I CS13512 [1,0,1,0,0,0|2,0,0]=4 491 B9R1.15 COC1=NC=CC=C1N CS19526 [1,0,1,0,0,0|2,0,0]=4 492 B9R1.15 CSC1=C(I)C=CC=C1 MC433405 [1,0,1,0,0,0|1,1,0]=4 493 B9R1.15 N#CC1=C(O)C=CC=C1 CS19191 [1,0,1,0,0,0|1,0,1]=4 494 B9R1.15 NC1=C(C=O)C=CC=C1 MC20756 [1,0,1,0,0,0|2,0,0]=4 495 B9R1.15 NCC1=C(O)C=CC=C1 CS20889 [1,0,1,0,0,0|1,0,1]=4 496 B9R1.15 O=CC1=C(Br)C=CC=C1 CS19251 [1,0,1,0,0,0|2,0,0]=4 497 B9R1.15 O=CC1=C(F)C=CC=C1 CS21560 [1,0,1,0,0,0|2,0,0]=4 498 B9R1.15 O=CC1=C(I)C=CC=C1 CS20131 [1,0,1,0,0,0|2,0,0]=4 499 B9R1.15 O=CC1=C(O)C=CC=C1 MC41121 [1,0,1,0,0,0|1,0,0]=3 500 B9R1.15 O=CC1=C(O)C=NC=C1 CS13859 [1,0,1,0,0,0|2,0,0]=4 501 B9R1.15 O=CC1=C(O)N=CC=C1 CS19011 [1,0,1,0,0,0|2,0,0]=4 502 B9R1.15 O=CC1=CN=CC=C1O CS15926 [1,0,1,0,0,0|2,0,0]=4 503 B9R1.15 O=CC1=NC=CC=C1O MC443215 [1,0,1,0,0,0|2,0,0]=4 504 B9R1.15 OCC1=C(O)C=CC=C1 CS16243 [1,0,1,0,0,0|1,0,1]=4 505 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [1,0,1,0,0,0|1,0,0]=3 506 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [1,0,1,0,0,0|1,0,0]=3 507 B11R1.13 CCOc1cccc(F)c1F MC433141 [0,1,1,0,0,0|1,0,1]=4 508 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [0,1,1,0,0,0|0,0,2]=4 509 B11R1.41 CCOC1=C(C#N)C=CC=C1 MC33181 [0,1,1,0,0,0|0,0,2]=4 510 B11R1.41 CCOC1=C(OC)C=CC=C1 MC433385 [0,1,1,0,0,0|0,0,2]=4 511 B11R1.41 CCOC1=CC=NC=C1C=O MC443446 [0,1,1,0,0,0|1,0,1]=4 512 B11R1.81 CCOC1=C(F)C=C(N)C=C1 MC112375 [0,1,1,0,0,0|1,0,1]=4 513 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,1,1,0,0,0|1,0,1]=4 514 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,1,1,0,0,0|1,0,1]=4 515 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,1,1,0,0,0|2,0,0]=4 516 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,1,1,0,0,0|1,0,0]=3 517 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,1,1,0,0,0|2,0,0]=4 518 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,1,1,0,0,0|0,0,1]=3 519 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [0,1,1,0,0,0|2,0,0]=4 520 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [0,1,1,0,0,0|1,0,1]=4 521 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,1,1,0,0,0|1,0,1]=4 522 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 CS20424 [0,1,1,0,0,0|1,0,1]=4 523 B11R1.182 CCOC1=C(C)C=CC(N)=C1 MC111938 [0,1,1,0,0,0|0,0,2]=4 524 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 MC41352 [0,1,1,0,0,0|1,0,1]=4 525 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 MC41354 [0,1,1,0,0,0|1,0,1]=4 526 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,1,1,0,0,0|1,0,1]=4 527 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,1,1,0,0,0|1,0,1]=4 528 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,1,1,0,0,0|2,0,0]=4 529 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,1,1,0,0,0|1,1,0]=4 530 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,1,1,0,0,0|2,0,0]=4 531 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [0,1,1,0,0,0|2,0,0]=4 535 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,1,1,0,0,0|1,1,0]=4 536 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [0,1,1,0,0,0|2,0,0]=4 537 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,1,1,0,0,0|1,0,1]=4 538 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 CS11942 [0,1,1,0,0,0|2,0,0]=4 539 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,1,0,0,0|0,0,2]=4 540 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,1,0,0,0|0,0,2]=4 541 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,1,1,0,0,0|1,0,1]=4 542 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,1,1,0,0,0|1,0,1]=4 543 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,1,1,0,0,0|1,0,0]=3 544 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,1,1,0,0,0|1,0,0]=3 545 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,1,1,0,0,0|1,0,0]=3 546 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [0,1,1,0,0,0|0,0,2]=4 547 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [0,1,1,0,0,0|0,0,2]=4 548 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,1,1,0,0,0|1,0,1]=4 549 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 MC442082 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,1,1,0,0,0|1,0,1]=4 551 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [0,1,1,0,0,0|2,0,0]=4 552 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [0,1,1,0,0,0|2,0,0]=4 553 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,1,1,0,0,0|1,0,1]=4 554 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,1,1,0,0,0|1,0,1]=4 555 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,1,1,0,0,0|1,0,1]=4 556 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,1,1,0,0,0|1,0,1]=4 557 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,1,1,0,0,0|1,0,1]=4 558 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,1,1,0,0,0|1,0,1]=4 559 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,1,1,0,0,0|1,0,0]=3 560 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,1,1,0,0,0|1,0,1]=4 561 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,1,1,0,0,0|1,0,1]=4 562 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,1,1,0,0,0|1,0,1]=4 563 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,1,1,0,0,0|1,0,1]=4 564 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,1,1,0,0,0|1,0,1]=4 565 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,1,1,0,0,0|1,0,1]=4 566 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,1,1,0,0,0|1,0,1]=4 567 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,1,1,0,0,0|1,0,1]=4 568 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,1,1,0,0,0|1,0,1]=4 569 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,1,1,0,0,0|1,0,1]=4 570 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,1,0,0,0|0,0,2]=4 571 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,1,0,0,0|0,0,2]=4 572 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,1,1,0,0,0|0,0,2]=4 573 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,1,1,0,0,0|1,0,1]=4 574 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,1,1,0,0,0|1,0,1]=4 575 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,1,1,0,0,0|1,0,0]=3 576 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,1,0,0,0|1,0,0]=3 577 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,1,1,0,0,0|1,0,0]=3 578 B11R1.157 CC(C)OC1=CC=CC(O)=C1 MC112598 [0,1,1,0,0,0|0,0,2]=4 579 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,1,1,0,0,0|1,0,1]=4 580 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 MC442083 [0,1,1,0,0,0|2,0,0]=4 581 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [0,1,1,0,0,0|1,0,1]=4 582 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [0,1,1,0,0,0|1,0,1]=4 583 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [0,1,1,0,0,0|1,0,1]=4 584 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [0,1,1,0,0,0|1,0,1]=4 585 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [0,1,1,0,0,0|1,0,1]=4 586 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [0,1,1,0,0,0|1,0,1]=4 587 B11R2.1 BrC1=C2C=CC=CN2N=C1 CS17352 [1,1,0,0,0,0|2,0,0]=4 588 B11R2.1 BrC1=CN=C2C=CC=CN12 MC442520 [1,1,0,0,0,0|2,0,0]=4 589 B11R2.1 BrC1=CNC2=CC=CN=C12 CS13195 [1,1,0,0,0,0|2,0,0]=4 590 B11R2.1 BrC1=CNC2=CN=CC=C12 CS18417 [1,1,0,0,0,0|2,0,0]=4 591 B11R2.1 BrC1=CNC2=NC=CC=C12 MC427497 [1,1,0,0,0,0|2,0,0]=4 592 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [1,1,0,0,0,0|0,0,0]=2 593 B11R2.1 BrC1=CSC2=C1C=NC=C2 MC106813 [1,1,0,0,0,0|1,1,0]=4 594 B11R2.1 BrC1=CSC2=CC=CN=C12 MC103962 [1,1,0,0,0,0|1,1,0]=4 595 B11R2.1 BrC1=CSC2=NC=CC=C12 CS15651 [1,1,0,0,0,0|1,1,0]=4 596 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [1,1,0,0,0,0|2,0,0]=4 597 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,1,0,0,0,0|1,0,0]=3 598 B11R2.1 CC1=CNC2=C1C=NC=C2 MC443768 [1,1,0,0,0,0|2,0,0]=4 599 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,1,0,0,0,0|1,0,0]=3 600 B11R2.1 CC1=CNC2=NC=CC=C12 CS22368 [1,1,0,0,0,0|2,0,0]=4 601 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,1,0,0,0,0|0,0,0]=2 602 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [1,1,0,0,0,0|2,0,0]=4 603 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [1,1,0,0,0,0|1,0,0]=3 604 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,1,0,0,0,0|1,0,0]=3 605 B11R2.1 CN1C=CC2=CC=CN=C21 CS20755 [1,1,0,0,0,0|2,0,0]=4 606 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [1,1,0,0,0,0|1,0,0]=3 607 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [1,1,0,0,0,0|0,0,0]=2 608 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [1,1,0,0,0,0|1,0,0]=3 609 B11R2.1 IC1=CNC2=C1C=NC=C2 CS22326 [1,1,0,0,0,0|2,0,0]=4 610 B11R2.1 IC1=CNC2=CC=CN=C12 CS15332 [1,1,0,0,0,0|2,0,0]=4 611 B11R2.1 IC1=CNC2=CN=CC=C12 CS15083 [1,1,0,0,0,0|2,0,0]=4 612 B11R2.1 IC1=CNC2=NC=CC=C12 MC444281 [1,1,0,0,0,0|2,0,0]=4 613 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [1,1,0,0,0,0|0,1,0]=3 614 B11R2.1 NC1=CNC2=C1C=NC=C2 MC111232 [1,1,0,0,0,0|2,0,0]=4 615 B11R2.1 NC1=CNC2=C1C=NC=C2 MC111865 [1,1,0,0,0,0|2,0,0]=4 616 B11R2.1 NC1=CNC2=CC=CN=C12 MC102979 [1,1,0,0,0,0|2,0,0]=4 617 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [1,1,0,0,0,0|0,1,0]=3 618 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [1,1,0,0,0,0|2,0,0]=4 619 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [1,1,0,0,0,0|1,0,0]=3 620 B11R2.1 NC1=NOC2=CC=CN=C21 CS12630 [1,1,0,0,0,0|2,0,0]=4 621 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [1,1,0,0,0,0|1,1,0]=4 622 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [1,1,0,0,0,0|1,0,0]=3 623 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,1,0,0,0,0|1,0,1]=4 624 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [1,1,0,0,0,0|0,0,1]=3 625 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [1,1,0,0,0,0|1,0,1]=4 626 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [1,1,0,0,0,0|1,0,1]=4 627 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [1,1,0,0,0,0|0,1,1]=4 628 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [1,1,0,0,0,0|2,0,0]=4 629 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [1,1,0,0,0,0|2,0,0]=4 630 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [1,1,0,0,0,0|1,1,0]=4 631 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [1,1,0,0,0,0|2,0,0]=4 632 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [1,1,0,0,0,0|1,1,0]=4 633 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [1,1,0,0,0,0|1,1,0]=4 634 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [1,1,0,0,0,0|1,0,0]=3 635 B11R2.36 BrC1=CC2=C(C=C1)C=NO2 CS13230 [1,1,0,0,0,0|1,0,0]=3 636 B11R2.36 BrC1=CC2=C(C=C1)CCO2 MC441170 [1,1,0,0,0,0|0,0,2]=4 637 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 CS14721 [1,1,0,0,0,0|1,0,0]=3 638 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 CS10619 [1,1,0,0,0,0|1,1,0]=4 639 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CS10238 [1,1,0,0,0,0|2,0,0]=4 640 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 MC41758 [1,1,0,0,0,0|0,0,0]=2 641 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 MC425733 [1,1,0,0,0,0|1,0,0]=3 642 B11R2.36 BrC1=CC2=C(C=C1)OCC2 MC20389 [1,1,0,0,0,0|0,0,2]=4 643 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 CS12317 [1,1,0,0,0,0|1,0,0]=3 644 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 CS10670 [1,1,0,0,0,0|0,1,0]=3 645 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 MC20420 [1,1,0,0,0,0|0,1,0]=3 646 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CS10299 [1,1,0,0,0,0|1,1,0]=4 647 B11R2.36 BrC1=CC2=C(C=C1)SN=C2 MC102545 [1,1,0,0,0,0|1,1,0]=4 648 B11R2.36 BrC1=CC2=C(C=CN2)C=N1 CS15224 [1,1,0,0,0,0|2,0,0]=4 649 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 MC115957 [1,1,0,0,0,0|0,0,0]=2 650 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 CS12830 [1,1,0,0,0,0|0,1,0]=3 651 B11R2.36 BrC1=CC2=CC=NN2C=C1 MC103546 [1,1,0,0,0,0|2,0,0]=4 652 B11R2.36 BrC1=CC2=NC=CN2C=C1 CS13023 [1,1,0,0,0,0|2,0,0]=4 653 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS22089 [1,1,0,0,0,0|1,0,0]=3 654 B11R2.36 BrC1=CC=C2C=CNC2=N1 MC31052 [1,1,0,0,0,0|2,0,0]=4 655 B11R2.36 BrC1=CC=C2C=NNC2=C1 CS18484 [1,1,0,0,0,0|2,0,0]=4 656 B11R2.36 BrC1=CC=C2N=COC2=N1 MC442205 [1,1,0,0,0,0|2,0,0]=4 657 B11R2.36 BrC1=CC=C2NC=CC2=C1 CS17784 [1,1,0,0,0,0|1,0,0]=3 658 B11R2.36 BrC1=CC=C2NC=CC2=N1 CS12327 [1,1,0,0,0,0|2,0,0]=4 659 B11R2.36 BrC1=CC=C2NN=CC2=C1 CS15506 [1,1,0,0,0,0|2,0,0]=4 660 B11R2.36 BrC1=CC=C2SC=CC2=N1 MC441902 [1,1,0,0,0,0|1,1,0]=4 661 B11R2.36 BrC1=CN2C=CN=C2C=C1 CS15298 [1,1,0,0,0,0|2,0,0]=4 662 B11R2.36 BrC1=CN=C2C=CNC2=C1 CS10624 [1,1,0,0,0,0|2,0,0]=4 663 B11R2.36 BrC1=CN=C2N=COC2=C1 MC442526 [1,1,0,0,0,0|2,0,0]=4 664 B11R2.36 BrC1=CN=C2NC=CC2=C1 CS13853 [1,1,0,0,0,0|2,0,0]=4 665 B11R2.36 BrC1=CN=C2SC=CC2=C1 MC432025 [1,1,0,0,0,0|1,1,0]=4 666 B11R2.36 BrC1=NC=C2NC=CC2=C1 MC115934 [1,1,0,0,0,0|2,0,0]=4 667 B11R2.36 Brc1ccc2c(c1)OCO2 CS19789 [1,1,0,0,0,0|1,0,1]=4 668 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MC441161 [1,1,0,0,0,0|0,0,0]=2 669 B11R2.36 CC1=CC2=C(C=C1)OC=N2 MC425792 [1,1,0,0,0,0|1,0,0]=3 670 B11R2.36 CC1=CC2=C(C=CS2)C=C1 MC441147 [1,1,0,0,0,0|0,1,0]=3 671 B11R2.36 CC1=CC=C2C=CCC2=C1 MC446782 [1,1,0,0,0,0|1,0,0]=3 672 B11R2.36 CC1=CC=C2C=CNC2=N1 CS10731 [1,1,0,0,0,0|2,0,0]=4 673 B11R2.36 CC1=CC=C2NC=CC2=C1 CS11033 [1,1,0,0,0,0|1,0,0]=3 674 B11R2.36 CC1=CC=C2NN=CC2=C1 MC425397 [1,1,0,0,0,0|2,0,0]=4 675 B11R2.36 CC1=CN=C2NC=CC2=C1 CS10438 [1,1,0,0,0,0|2,0,0]=4 676 B11R2.36 CC1=NC=C2C=CNC2=C1 MC105009 [1,1,0,0,0,0|2,0,0]=4 677 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 MC443515 [1,1,0,0,0,0|2,0,0]=4 678 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 MC31093 [1,1,0,0,0,0|1,0,0]=3 679 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 MC441158 [1,1,0,0,0,0|0,0,0]=2 680 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 CS19972 [1,1,0,0,0,0|1,0,0]=3 681 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 CS20641 [1,1,0,0,0,0|0,1,0]=3 682 B11R2.36 ClC1=CC2=C(C=C1)SC=N2 CS10346 [1,1,0,0,0,0|1,1,0]=4 683 B11R2.36 ClC1=CC2=C(C=CN2)C=N1 CS10681 [1,1,0,0,0,0|2,0,0]=4 684 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 MC441280 [1,1,0,0,0,0|0,0,0]=2 685 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 MC441268 [1,1,0,0,0,0|0,1,0]=3 686 B11R2.36 ClC1=CC2=CON=C2C=C1 MC30332 [1,1,0,0,0,0|2,0,0]=4 687 B11R2.36 ClC1=CC2=NC=CN2C=C1 CS10808 [1,1,0,0,0,0|2,0,0]=4 688 B11R2.36 ClC1=CC=C2C=CNC2=C1 CS22097 [1,1,0,0,0,0|1,0,0]=3 689 B11R2.36 ClC1=CC=C2C=CNC2=N1 CS10660 [1,1,0,0,0,0|2,0,0]=4 690 B11R2.36 ClC1=CC=C2C=CSC2=N1 MC441320 [1,1,0,0,0,0|1,1,0]=4 691 B11R2.36 ClC1=CC=C2C=NNC2=C1 CS18428 [1,1,0,0,0,0|2,0,0]=4 692 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS22049 [1,1,0,0,0,0|1,0,0]=3 693 B11R2.36 ClC1=CC=C2NC=CC2=N1 CS10317 [1,1,0,0,0,0|2,0,0]=4 694 B11R2.36 ClC1=CC=C2NN=CC2=C1 CS10312 [1,1,0,0,0,0|2,0,0]=4 695 B11R2.36 ClC1=CC=C2SC=CC2=N1 MC115980 [1,1,0,0,0,0|1,1,0]=4 696 B11R2.36 ClC1=CN2C=CN=C2C=C1 CS10686 [1,1,0,0,0,0|2,0,0]=4 697 B11R2.36 ClC1=CN=C2C=CNC2=C1 CS13065 [1,1,0,0,0,0|2,0,0]=4 698 B11R2.36 ClC1=CN=C2NC=CC2=C1 CS18515 [1,1,0,0,0,0|2,0,0]=4 699 B11R2.36 ClC1=CN=C2SC=CC2=C1 MC441876 [1,1,0,0,0,0|1,1,0]=4 700 B11R2.36 ClC1=NC=C2NC=CC2=C1 CS13092 [1,1,0,0,0,0|2,0,0]=4 701 B11R2.36 ClC1=NC=C2SC=CC2=C1 MC104810 [1,1,0,0,0,0|1,1,0]=4 702 B11R2.36 FC1=CC2=C(C=C1)CCO2 MC432264 [1,1,0,0,0,0|0,0,2]=4 703 B11R2.36 FC1=CC2=C(C=C1)N=CS2 MC31026 [1,1,0,0,0,0|1,1,0]=4 704 B11R2.36 FC1=CC2=C(C=C1)OC=C2 MC441159 [1,1,0,0,0,0|0,0,0]=2 705 B11R2.36 FC1=CC2=C(C=CS2)C=C1 MC113470 [1,1,0,0,0,0|0,1,0]=3 706 B11R2.36 FC1=CC2=NC=CN2C=C1 MC445473 [1,1,0,0,0,0|2,0,0]=4 707 B11R2.36 FC1=CC=C2C=CNC2=C1 MC31140 [1,1,0,0,0,0|1,0,0]=3 708 B11R2.36 FC1=CC=C2C=CNC2=N1 MC33364 [1,1,0,0,0,0|2,0,0]=4 709 B11R2.36 FC1=CC=C2C=NNC2=C1 CS18253 [1,1,0,0,0,0|2,0,0]=4 710 B11R2.36 FC1=CC=C2CC=CC2=C1 MC446777 [1,1,0,0,0,0|1,0,0]=3 711 B11R2.36 FC1=CC=C2NC=CC2=C1 CS22058 [1,1,0,0,0,0|1,0,0]=3 712 B11R2.36 FC1=CC=C2NC=CC2=N1 CS10378 [1,1,0,0,0,0|2,0,0]=4 713 B11R2.36 FC1=CC=C2NN=CC2=C1 CS18254 [1,1,0,0,0,0|2,0,0]=4 714 B11R2.36 FC1=CN2C=CN=C2C=C1 CS14014 [1,1,0,0,0,0|2,0,0]=4 715 B11R2.36 FC1=CN=C2C=CNC2=C1 MC105230 [1,1,0,0,0,0|2,0,0]=4 716 B11R2.36 FC1=CN=C2NC=CC2=C1 CS18514 [1,1,0,0,0,0|2,0,0]=4 717 B11R2.36 IC1=CC2=C(C=C1)OCC2 MC442476 [1,1,0,0,0,0|0,0,2]=4 718 B11R2.36 IC1=CC2=C(C=C1)OCO2 MC442800 [1,1,0,0,0,0|1,0,1]=4 719 B11R2.36 IC1=CC2=NC=CN2C=C1 CS16502 [1,1,0,0,0,0|2,0,0]=4 720 B11R2.36 IC1=CC=C2C=CNC2=C1 CS13433 [1,1,0,0,0,0|1,0,0]=3 721 B11R2.36 IC1=CC=C2C=NNC2=C1 MC20851 [1,1,0,0,0,0|2,0,0]=4 722 B11R2.36 IC1=CC=C2NN=CC2=C1 CS10408 [1,1,0,0,0,0|2,0,0]=4 723 B11R2.36 IC1=CN2C=CN=C2C=C1 CS13667 [1,1,0,0,0,0|2,0,0]=4 724 B11R2.36 NC1=CC2=C(C=C1)C=NO2 CS12165 [1,1,0,0,0,0|1,0,0]=3 725 B11R2.36 NC1=CC2=C(C=C1)N=CN2 MC41743 [1,1,0,0,0,0|2,0,0]=4 726 B11R2.36 NC1=CC2=C(C=C1)N=CO2 CS20506 [1,1,0,0,0,0|1,0,0]=3 727 B11R2.36 NC1=CC2=C(C=C1)N=CS2 CS14835 [1,1,0,0,0,0|1,1,0]=4 728 B11R2.36 NC1=CC2=C(C=C1)OC=N2 MC443773 [1,1,0,0,0,0|1,0,0]=3 729 B11R2.36 NC1=CC2=C(C=C1)OCC2 MC442475 [1,1,0,0,0,0|0,0,2]=4 730 B11R2.36 NC1=CC2=C(C=C1)OCO2 CS20315 [1,1,0,0,0,0|1,0,1]=4 731 B11R2.36 NC1=CC2=C(C=C1)ON=C2 CS14807 [1,1,0,0,0,0|1,0,0]=3 732 B11R2.36 NC1=CC2=C(C=C1)SC=N2 MC33012 [1,1,0,0,0,0|1,1,0]=4 733 B11R2.36 NC1=CC2=C(C=CS2)C=C1 MC443212 [1,1,0,0,0,0|0,1,0]=3 734 B11R2.36 NC1=CC2=CC=NN2C=C1 MC425560 [1,1,0,0,0,0|2,0,0]=4 735 B11R2.36 NC1=CC2=NC=CN2C=C1 MC425660 [1,1,0,0,0,0|2,0,0]=4 736 B11R2.36 NC1=CC=C2C=CNC2=N1 CS15516 [1,1,0,0,0,0|2,0,0]=4 737 B11R2.36 NC1=CC=C2C=NNC2=C1 CS15642 [1,1,0,0,0,0|2,0,0]=4 738 B11R2.36 NC1=CC=C2NC=CC2=C1 CS20917 [1,1,0,0,0,0|1,0,0]=3 739 B11R2.36 NC1=CC=C2NC=CC2=N1 CS16752 [1,1,0,0,0,0|2,0,0]=4 740 B11R2.36 NC1=CC=C2NN=CC2=C1 MC444376 [1,1,0,0,0,0|2,0,0]=4 741 B11R2.36 NC1=CN2C=CN=C2C=C1 CS17744 [1,1,0,0,0,0|2,0,0]=4 742 B11R2.36 NC1=CN=C2NC=CC2=C1 CS17787 [1,1,0,0,0,0|2,0,0]=4 743 B11R2.36 NC1=CN=C2OC=CC2=C1 MC103444 [1,1,0,0,0,0|1,0,0]=3 744 B11R2.36 NC1=CN=C2SC=CC2=C1 MC113263 [1,1,0,0,0,0|1,1,0]=4 745 B11R2.36 NC1=NC=C2NC=CC2=C1 MC105240 [1,1,0,0,0,0|2,0,0]=4 746 B11R2.36 OC1=CC2=C(C=C1)C=NO2 CS12459 [1,1,0,0,0,0|1,0,0]=3 747 B11R2.36 OC1=CC2=C(C=C1)CCO2 CS16031 [1,1,0,0,0,0|0,0,2]=4 748 B11R2.36 OC1=CC2=C(C=C1)N=CS2 CS10613 [1,1,0,0,0,0|1,1,0]=4 749 B11R2.36 OC1=CC2=C(C=C1)OC=C2 MC443249 [1,1,0,0,0,0|0,0,0]=2 750 B11R2.36 OC1=CC2=C(C=C1)SC=C2 MC111398 [1,1,0,0,0,0|0,1,0]=3 751 B11R2.36 OC1=CC2=C(C=C1)SC=N2 MC427507 [1,1,0,0,0,0|1,1,0]=4 752 B11R2.36 OC1=CC2=C(C=CO2)C=C1 CS20605 [1,1,0,0,0,0|0,0,0]=2 753 B11R2.36 OC1=CC2=C(C=CS2)C=C1 MC441864 [1,1,0,0,0,0|0,1,0]=3 754 B11R2.36 OC1=CC=C2C=CNC2=N1 CS14689 [1,1,0,0,0,0|2,0,0]=4 755 B11R2.36 OC1=CC=C2C=NNC2=C1 CS20712 [1,1,0,0,0,0|2,0,0]=4 756 B11R2.36 OC1=CC=C2NC=CC2=C1 CS20861 [1,1,0,0,0,0|1,0,0]=3 757 B11R2.36 OC1=CC=C2NC=CC2=N1 CS12531 [1,1,0,0,0,0|2,0,0]=4 758 B11R2.36 OC1=CC=C2NN=CC2=C1 CS20711 [1,1,0,0,0,0|2,0,0]=4 759 B11R2.36 OC1=CN=C2C=CSC2=C1 CS12905 [1,1,0,0,0,0|1,1,0]=4 760 B11R2.36 OC1=CN=C2NC=CC2=C1 CS18571 [1,1,0,0,0,0|2,0,0]=4 761 B11R2.106 BrC1=C2C=CNC2=CC=C1 CS20686 [1,1,0,0,0,0|1,0,0]=3 762 B11R2.106 BrC1=C2C=CNC2=CN=C1 CS14401 [1,1,0,0,0,0|2,0,0]=4 763 B11R2.106 BrC1=C2C=CNC2=NC=C1 CS18255 [1,1,0,0,0,0|2,0,0]=4 764 B11R2.106 BrC1=C2C=CSC2=CN=C1 MC441175 [1,1,0,0,0,0|1,1,0]=4 765 B11R2.106 BrC1=C2C=CSC2=NC=C1 MC441319 [1,1,0,0,0,0|1,1,0]=4 766 B11R2.106 BrC1=C2C=NNC2=CC=C1 CS18090 [1,1,0,0,0,0|2,0,0]=4 767 B11R2.106 BrC1=C2NC=CC2=CC=C1 CS10709 [1,1,0,0,0,0|1,0,0]=3 768 B11R2.106 BrC1=C2NC=CC2=NC=C1 MC105225 [1,1,0,0,0,0|2,0,0]=4 769 B11R2.106 BrC1=C2NN=CC2=CC=C1 MC444453 [1,1,0,0,0,0|2,0,0]=4 770 B11R2.106 BrC1=C2SC=CC2=CC=N1 MC441878 [1,1,0,0,0,0|1,1,0]=4 771 B11R2.106 BrC1=CC=CC2=C1C=CO2 MC103536 [1,1,0,0,0,0|0,0,0]=2 772 B11R2.106 BrC1=CC=CC2=C1C=CS2 CS22672 [1,1,0,0,0,0|0,1,0]=3 773 B11R2.106 BrC1=CC=CC2=C1C=NO2 CS12976 [1,1,0,0,0,0|1,0,0]=3 774 B11R2.106 BrC1=CC=CC2=C1N=CN2 CS12099 [1,1,0,0,0,0|2,0,0]=4 775 B11R2.106 BrC1=CC=CC2=C1N=CO2 CS22673 [1,1,0,0,0,0|1,0,0]=3 776 B11R2.106 BrC1=CC=CC2=C1OC=C2 MC441050 [1,1,0,0,0,0|0,0,0]=2 777 B11R2.106 BrC1=CC=CC2=C1OC=N2 CS10796 [1,1,0,0,0,0|1,0,0]=3 778 B11R2.106 BrC1=CC=CC2=C1OCC2 CS12983 [1,1,0,0,0,0|0,0,2]=4 779 B11R2.106 BrC1=CC=CC2=C1OCO2 CS22623 [1,1,0,0,0,0|1,0,1]=4 780 B11R2.106 BrC1=CC=CC2=C1SC=C2 CS12307 [1,1,0,0,0,0|0,1,0]=3 781 B11R2.106 BrC1=CC=CC2=C1SC=N2 MC104750 [1,1,0,0,0,0|1,1,0]=4 782 B11R2.106 BrC1=CC=CC2=NC=CN12 MC425444 [1,1,0,0,0,0|2,0,0]=4 783 B11R2.106 BrC1=CC=CN2C=CN=C12 CS18511 [1,1,0,0,0,0|2,0,0]=4 784 B11R2.106 BrC1=CN=CC2=C1NC=C2 CS12622 [1,1,0,0,0,0|2,0,0]=4 785 B11R2.106 BrC1=NC=CC2=C1C=CN2 MC121216 [1,1,0,0,0,0|2,0,0]=4 786 B11R2.106 BrC1=NC=CC2=C1C=CS2 MC441331 [1,1,0,0,0,0|1,1,0]=4 787 B11R2.106 CC1=C2C=CNC2=CC=C1 CS21706 [1,1,0,0,0,0|1,0,0]=3 788 B11R2.106 CC1=C2C=CNC2=CN=C1 MC103792 [1,1,0,0,0,0|2,0,0]=4 789 B11R2.106 CC1=C2C=CNC2=NC=C1 MC444356 [1,1,0,0,0,0|2,0,0]=4 790 B11R2.106 CC1=C2C=NNC2=CC=C1 CS22943 [1,1,0,0,0,0|2,0,0]=4 791 B11R2.106 CC1=C2NC=CC2=CC=C1 CS11034 [1,1,0,0,0,0|1,0,0]=3 792 B11R2.106 CC1=C2NC=CC2=NC=C1 MC104033 [1,1,0,0,0,0|2,0,0]=4 793 B11R2.106 CC1=C2NN=CC2=CC=C1 CS10824 [1,1,0,0,0,0|2,0,0]=4 794 B11R2.106 CC1=CC=CC2=C1C=CS2 MC441056 [1,1,0,0,0,0|0,1,0]=3 795 B11R2.106 CC1=CC=CC2=C1NC=N2 MC106503 [1,1,0,0,0,0|2,0,0]=4 796 B11R2.106 CC1=CC=CC2=C1OC=C2 MC441162 [1,1,0,0,0,0|0,0,0]=2 797 B11R2.106 CC1=CC=CC2=C1SC=C2 MC441270 [1,1,0,0,0,0|0,1,0]=3 798 B11R2.106 CC1=NC=CC2=C1C=CN2 MC103793 [1,1,0,0,0,0|2,0,0]=4 799 B11R2.106 ClC1=C2C=CNC2=CC=C1 CS10725 [1,1,0,0,0,0|1,0,0]=3 800 B11R2.106 ClC1=C2C=CNC2=CN=C1 CS15333 [1,1,0,0,0,0|2,0,0]=4 801 B11R2.106 ClC1=C2C=CNC2=NC=C1 CS18360 [1,1,0,0,0,0|2,0,0]=4 802 B11R2.106 ClC1=C2C=COC2=NC=C1 MC105245 [1,1,0,0,0,0|1,0,0]=3 803 B11R2.106 ClC1=C2C=CSC2=CN=C1 MC441327 [1,1,0,0,0,0|1,1,0]=4 804 B11R2.106 ClC1=C2C=NNC2=CC=C1 CS22715 [1,1,0,0,0,0|2,0,0]=4 805 B11R2.106 ClC1=C2NC=CC2=CC=C1 CS14936 [1,1,0,0,0,0|1,0,0]=3 806 B11R2.106 ClC1=C2NC=CC2=CC=N1 CS18260 [1,1,0,0,0,0|2,0,0]=4 807 B11R2.106 ClC1=C2NC=CC2=CN=C1 MC105224 [1,1,0,0,0,0|2,0,0]=4 808 B11R2.106 ClC1=C2NC=CC2=NC=C1 CS10799 [1,1,0,0,0,0|2,0,0]=4 809 B11R2.106 ClC1=C2NN=CC2=CC=C1 MC444455 [1,1,0,0,0,0|2,0,0]=4 810 B11R2.106 ClC1=C2OC=CC2=CC=N1 MC100091 [1,1,0,0,0,0|1,0,0]=3 811 B11R2.106 ClC1=C2OC=CC2=NC=C1 MC113020 [1,1,0,0,0,0|1,0,0]=3 812 B11R2.106 ClC1=C2SC=CC2=CC=N1 MC441879 [1,1,0,0,0,0|1,1,0]=4 813 B11R2.106 ClC1=C2SC=CC2=NC=C1 MC441903 [1,1,0,0,0,0|1,1,0]=4 814 B11R2.106 ClC1=CC=CC2=C1C=CO2 MC21109 [1,1,0,0,0,0|0,0,0]=2 815 B11R2.106 ClC1=CC=CC2=C1C=CS2 MC441271 [1,1,0,0,0,0|0,1,0]=3 816 B11R2.106 ClC1=CC=CC2=C1N=CS2 CS12362 [1,1,0,0,0,0|1,1,0]=4 817 B11R2.106 ClC1=CC=CC2=C1OC=C2 MC441165 [1,1,0,0,0,0|0,0,0]=2 818 B11R2.106 ClC1=CC=CC2=C1SC=C2 MC442796 [1,1,0,0,0,0|0,1,0]=3 819 B11R2.106 ClC1=CC=CC2=NC=CN12 CS15361 [1,1,0,0,0,0|2,0,0]=4 820 B11R2.106 ClC1=NC=CC2=C1C=CN2 CS22768 [1,1,0,0,0,0|2,0,0]=4 821 B11R2.106 ClC1=NC=CC2=C1C=CO2 CS22787 [1,1,0,0,0,0|1,0,0]=3 822 B11R2.106 ClC1=NC=CC2=C1C=CS2 MC441332 [1,1,0,0,0,0|1,1,0]=4 823 B11R2.106 ClC1=NC=NC2=C1C=CO2 MC113096 [1,1,0,0,0,0|2,0,0]=4 824 B11R2.106 ClC1=NC=NC2=C1OC=C2 CS12769 [1,1,0,0,0,0|2,0,0]=4 825 B11R2.106 FC1=C2C=CNC2=CC=C1 CS10745 [1,1,0,0,0,0|1,0,0]=3 826 B11R2.106 FC1=C2C=CNC2=CN=C1 MC105227 [1,1,0,0,0,0|2,0,0]=4 827 B11R2.106 FC1=C2C=CNC2=NC=C1 CS22834 [1,1,0,0,0,0|2,0,0]=4 828 B11R2.106 FC1=C2C=NNC2=CC=C1 MC425694 [1,1,0,0,0,0|2,0,0]=4 829 B11R2.106 FC1=C2NC=CC2=CC=C1 CS10747 [1,1,0,0,0,0|1,0,0]=3 830 B11R2.106 FC1=C2NC=CC2=CN=C1 MC105234 [1,1,0,0,0,0|2,0,0]=4 831 B11R2.106 FC1=C2NC=CC2=NC=C1 MC105237 [1,1,0,0,0,0|2,0,0]=4 832 B11R2.106 FC1=C2NN=CC2=CC=C1 CS10814 [1,1,0,0,0,0|2,0,0]=4 833 B11R2.106 FC1=CC=CC2=C1C=CO2 MC443205 [1,1,0,0,0,0|0,0,0]=2 834 B11R2.106 FC1=CC=CC2=C1C=CS2 MC441148 [1,1,0,0,0,0|0,1,0]=3 835 B11R2.106 FC1=CC=CC2=C1N=CN2 MC445693 [1,1,0,0,0,0|2,0,0]=4 836 B11R2.106 FC1=CC=CC2=C1OC=C2 MC441166 [1,1,0,0,0,0|0,0,0]=2 837 B11R2.106 FC1=CC=CC2=C1SC=C2 MC115513 [1,1,0,0,0,0|0,1,0]=3 838 B11R2.106 FC1=CC=CC2=NC=CN12 MC443445 [1,1,0,0,0,0|2,0,0]=4 839 B11R2.106 FC1=CC=CN2C=CN=C12 CS12996 [1,1,0,0,0,0|2,0,0]=4 840 B11R2.106 IC1=C2C=CNC2=NC=C1 CS22903 [1,1,0,0,0,0|2,0,0]=4 841 B11R2.106 IC1=C2C=NNC2=CC=C1 MC444353 [1,1,0,0,0,0|2,0,0]=4 842 B11R2.106 IC1=CC=CC2=C1NC=N2 MC427402 [1,1,0,0,0,0|2,0,0]=4 843 B11R2.106 IC1=CC=CC2=C1OCO2 CS12923 [1,1,0,0,0,0|1,0,1]=4 844 B11R2.106 IC1=CN=CC2=C1OC=N2 MC443788 [1,1,0,0,0,0|2,0,0]=4 845 B11R2.106 NC1=C2C=CNC2=CC=C1 CS20916 [1,1,0,0,0,0|1,0,0]=3 846 B11R2.106 NC1=C2C=CNC2=CC=N1 MC103418 [1,1,0,0,0,0|2,0,0]=4 847 B11R2.106 NC1=C2C=COC2=CC=C1 MC116403 [1,1,0,0,0,0|0,0,0]=2 848 B11R2.106 NC1=C2CCOC2=CC=C1 CS21040 [1,1,0,0,0,0|0,0,2]=4 849 B11R2.106 NC1=C2N=COC2=CC=C1 MC443226 [1,1,0,0,0,0|1,0,0]=3 850 B11R2.106 NC1=C2NC=CC2=CC=C1 CS10501 [1,1,0,0,0,0|1,0,0]=3 851 B11R2.106 NC1=C2NC=CC2=NC=C1 CS13692 [1,1,0,0,0,0|2,0,0]=4 852 B11R2.106 NC1=C2NN=CC2=CC=C1 MC444437 [1,1,0,0,0,0|2,0,0]=4 853 B11R2.106 NC1=CC=CC2=C1C=NN2 CS20710 [1,1,0,0,0,0|2,0,0]=4 854 B11R2.106 NC1=CC=CC2=C1N=CS2 MC427104 [1,1,0,0,0,0|1,1,0]=4 855 B11R2.106 NC1=CC=CC2=C1NC=N2 MC20436 [1,1,0,0,0,0|2,0,0]=4 856 B11R2.106 NC1=CC=CC2=C1OC=N2 CS17297 [1,1,0,0,0,0|1,0,0]=3 857 B11R2.106 NC1=CC=CC2=C1ON=C2 CS17211 [1,1,0,0,0,0|1,0,0]=3 858 B11R2.106 NC1=CC=CC2=C1SC=C2 MC443211 [1,1,0,0,0,0|0,1,0]=3 859 B11R2.106 NC1=CC=CC2=C1SC=N2 CS10782 [1,1,0,0,0,0|1,1,0]=4 860 B11R2.106 NC1=CC=CN2C=CN=C12 CS17745 [1,1,0,0,0,0|2,0,0]=4 861 B11R2.106 NC1=CC=NC2=C1C=CN2 CS18445 [1,1,0,0,0,0|2,0,0]=4 862 B11R2.106 NC1=CC=NC2=C1C=CN2 MC425221 [1,1,0,0,0,0|2,0,0]=4 863 B11R2.106 NC1=NC=CC2=C1C=CO2 MC103086 [1,1,0,0,0,0|1,0,0]=3 864 B11R2.106 O=C1NC=CC2=C1C=CN2 CS22878 [1,1,0,0,0,0|2,0,0]=4 865 B11R2.106 O=C1NC=CC2=C1C=CO2 CS18921 [1,1,0,0,0,0|1,0,0]=3 866 B11R2.106 O=C1NC=CC2=C1C=CS2 MC429953 [1,1,0,0,0,0|1,1,0]=4 867 B11R2.106 O=C1NC=NC2=C1OC=C2 MC115902 [1,1,0,0,0,0|2,0,0]=4 868 B11R2.106 OC1=C2C=COC2=CC=C1 MC441157 [1,1,0,0,0,0|0,0,0]=2 869 B11R2.106 OC1=C2C=NNC2=CC=C1 MC444351 [1,1,0,0,0,0|2,0,0]=4 870 B11R2.106 OC1=C2N=COC2=CC=C1 MC443775 [1,1,0,0,0,0|1,0,0]=3 871 B11R2.106 OC1=C2N=CSC2=CC=C1 CS22602 [1,1,0,0,0,0|1,1,0]=4 872 B11R2.106 OC1=C2NN=CC2=CC=C1 CS17029 [1,1,0,0,0,0|2,0,0]=4 873 B11R2.106 OC1=C2SC=CC2=NC=C1 CS12021 [1,1,0,0,0,0|1,1,0]=4 874 B11R2.106 OC1=CC=CC2=C1C=CN2 CS10821 [1,1,0,0,0,0|1,0,0]=3 875 B11R2.106 OC1=CC=CC2=C1OC=C2 MC441279 [1,1,0,0,0,0|0,0,0]=2 876 B11R2.106 OC1=CC=CN2C=CN=C12 MC425445 [1,1,0,0,0,0|2,0,0]=4 877 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 MC418479 [0,1,0,0,0,1|2,0,0]=4 878 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 CS14781 [0,1,0,0,0,1|2,0,0]=4 879 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 MC100339 [0,1,0,0,0,1|2,0,0]=4 880 B13R2.32 CC1=C(O)C2=CC=CC=C2C=C1 CS11396 [0,1,0,0,0,1|1,0,0]=3 881 B13R2.32 CN1C=CC2=CC=CC=C2C1=O CS16983 [0,1,0,0,0,1|2,0,0]=4 882 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 MC443371 [0,1,0,0,0,1|2,0,0]=4 883 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 MC442467 [0,1,0,0,0,1|2,0,0]=4 884 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 CS18266 [0,1,0,0,0,1|2,0,0]=4 885 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 CS12478 [0,1,0,0,0,1|2,0,0]=4 886 B13R2.32 NC1=C(I)C2=CC=CC=C2C=C1 MC432564 [0,1,0,0,0,1|2,0,0]=4 887 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 MC111623 [0,1,0,0,0,1|2,0,0]=4 888 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS20594 [0,1,0,0,0,1|2,0,0]=4 889 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS11263 [0,1,0,0,0,1|2,0,0]=4 890 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 MC443143 [0,1,0,0,0,1|2,0,0]=4 891 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 CS17705 [0,1,0,0,0,1|2,0,0]=4 892 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 MC107111 [0,1,0,0,0,1|1,0,0]=3 893 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 CS17755 [0,1,0,0,0,1|2,0,0]=4 894 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 MC107457 [0,1,0,0,0,1|2,0,0]=4 895 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 MC113801 [0,1,0,0,0,1|1,0,0]=3 896 B13R2.57 BrCC1COC2=C(C=CC=C2)O1 MC31021 [0,1,0,0,0,1|0,0,2]=4 897 B13R2.57 Br[Mg]c1ccc2ccccc2c1 MC121324 [0,1,0,0,0,1|2,0,0]=4 898 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS18943 [0,1,0,0,0,1|1,0,1]=4 899 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [0,1,0,0,0,1|1,0,0]=3 900 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [0,1,0,0,0,1|1,0,0]=3 901 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS12595 [0,1,0,0,0,1|2,0,0]=4 902 B13R2.57 COC1=CC=C2C=NC=CC2=C1 CS18348 [0,1,0,0,0,1|2,0,0]=4 903 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS22118 [0,1,0,0,0,1|2,0,0]=4 904 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS10061 [0,1,0,0,0,1|1,0,0]=3 905 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS20903 [0,1,0,0,0,1|1,0,0]=3 906 B13R2.57 ClCc1ccc2ccccc2c1 MC433891 [0,1,0,0,0,1|1,0,0]=3 907 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 CS20395 [0,1,0,0,0,1|1,0,0]=3 908 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 CS12597 [0,1,0,0,0,1|1,0,0]=3 909 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 MC105831 [0,1,0,0,0,1|1,0,0]=3 910 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 MC116267 [0,1,0,0,0,1|2,0,0]=4 911 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS18374 [0,1,0,0,0,1|1,0,0]=3 912 B13R2.57 NCC1CCC2=CC=CC=C2O1 MC111186 [0,1,0,0,0,1|0,0,2]=4 913 B13R2.57 NCC1COC2=C(C=CC=C2)N1 MC106962 [0,1,0,0,0,1|1,0,1]=4 914 B13R2.57 NCC1COC2=C(C=CC=C2)O1 MC429909 [0,1,0,0,0,1|0,0,2]=4 915 B13R2.57 NCC1COC2=C(C=CC=C2)O1 MC429910 [0,1,0,0,0,1|0,0,2]=4 916 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS13970 [0,1,0,0,0,1|2,0,0]=4 917 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 MC107189 [0,1,0,0,0,1|2,0,0]=4 918 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [0,1,0,0,0,1|1,0,1]=4 919 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [0,1,0,0,0,1|1,0,1]=4 920 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 CS13773 [0,1,0,0,0,1|1,0,0]=3 921 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 MC33313 [0,1,0,0,0,1|1,0,0]=3 922 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 CS13361 [0,1,0,0,0,1|1,0,0]=3 923 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 MC10341 [0,1,0,0,0,1|1,0,1]=4 924 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 CS19954 [0,1,0,0,0,1|2,0,0]=4 925 B13R2.155 BrC1=CC=C2N=CC(I)=CC2=C1 CS18141 [0,1,0,0,0,1|2,0,0]=4 926 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 CS16063 [0,1,0,0,0,1|1,0,0]=3 927 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 MC440720 [0,1,0,0,0,1|2,0,0]=4 928 B13R2.155 CC1=CC=C2C=CC(O)=NC2=N1 MC111590 [0,1,0,0,0,1|2,0,0]=4 929 B13R2.155 CC1=CC=C2N=CC(Cl)=NC2=C1 CS14347 [0,1,0,0,0,1|2,0,0]=4 930 B13R2.155 CC1=NC2=CC(Br)=CC=C2C=N1 MC106960 [0,1,0,0,0,1|1,0,0]=3 931 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS11293 [0,1,0,0,0,1|1,0,0]=3 932 B13R2.155 ClC1=CC=C2N=CC(Cl)=NC2=C1 CS19175 [0,1,0,0,0,1|2,0,0]=4 933 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 MC441086 [0,1,0,0,0,1|2,0,0]=4 934 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=N1 CS12470 [0,1,0,0,0,1|2,0,0]=4 935 B13R2.155 ClC1=NC2=CC(Br)=CC=C2N=C1 MC442561 [0,1,0,0,0,1|2,0,0]=4 936 B13R2.155 NC1=CC2=CC(Br)=CC=C2C=N1 CS12394 [0,1,0,0,0,1|2,0,0]=4 937 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 MC106791 [0,1,0,0,0,1|2,0,0]=4 938 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 CS17134 [0,1,0,0,0,1|2,0,0]=4 939 B13R2.155 Nc1ccc2c(c1)NC(=O)CO2 MC41745 [0,1,0,0,0,1|2,0,0]=4 940 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 CS14788 [0,1,0,0,0,1|2,0,0]=4 941 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 CS16303 [0,1,0,0,0,1|1,0,0]=3 942 B13R2.155 O=C1C=NC2=CC=C(F)C=C2N1 MC431055 [0,1,0,0,0,1|2,0,0]=4 943 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 CS10626 [0,1,0,0,0,1|2,0,0]=4 944 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 MC442305 [0,1,0,0,0,1|2,0,0]=4 945 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 MC441074 [0,1,0,0,0,1|2,0,0]=4 946 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 CS16680 [0,1,0,0,0,1|1,0,1]=4 947 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 CS18626 [0,1,0,0,0,1|2,0,0]=4 948 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 CS14588 [0,1,0,0,0,1|2,0,0]=4 949 B13R2.155 OC1=CC2=CC(F)=CC=C2C=N1 CS16284 [0,1,0,0,0,1|2,0,0]=4 950 B13R2.155 OC1=CC=C2C=CC(O)=NC2=C1 CS18652 [0,1,0,0,0,1|2,0,0]=4 951 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 CS16651 [0,1,0,0,0,1|2,0,0]=4 952 B13R2.162 BrC1=CC=CC2=CC=C(I)C=C12 MC445702 [0,1,0,0,0,1|2,0,0]=4 953 B13R2.162 BrC1=NC2=C(Br)C=CC=C2C=C1 MC115951 [0,1,0,0,0,1|2,0,0]=4 954 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 MC425219 [0,1,0,0,0,1|1,0,0]=3 955 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 MC443164 [0,1,0,0,0,1|2,0,0]=4 956 B13R2.162 CC1=CC=C2C=NC=C(Br)C2=C1 CS16559 [0,1,0,0,0,1|2,0,0]=4 957 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 CS10006 [0,1,0,0,0,1|1,0,0]=3 958 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 CS16057 [0,1,0,0,0,1|1,0,0]=3 959 B13R2.162 ClC1=CC2=C(Br)C=CC=C2C=N1 MC431275 [0,1,0,0,0,1|2,0,0]=4 960 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 CS12582 [0,1,0,0,0,1|2,0,0]=4 961 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=N1 CS10843 [0,1,0,0,0,1|2,0,0]=4 962 B13R2.162 ClC1=NC2=C(Br)C=CC=C2N=C1 MC431161 [0,1,0,0,0,1|2,0,0]=4 963 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=N1 CS13133 [0,1,0,0,0,1|2,0,0]=4 964 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2N=C1 MC113236 [0,1,0,0,0,1|2,0,0]=4 965 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 MC442437 [0,1,0,0,0,1|2,0,0]=4 966 B13R2.162 NC1=NC2=C(F)C=CC=C2C=N1 MC102929 [0,1,0,0,0,1|2,0,0]=4 967 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 CS12344 [0,1,0,0,0,1|1,0,0]=3 968 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 MC441083 [0,1,0,0,0,1|2,0,0]=4 969 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 MC442252 [0,1,0,0,0,1|2,0,0]=4 970 B13R2.162 OC1=CC=CC2=C1C=C(Br)C=N2 CS15353 [0,1,0,0,0,1|2,0,0]=4 971 B13R2.162 OC1=CC=CC2=CC=C(Br)C=C12 MC432537 [0,1,0,0,0,1|2,0,0]=4 972 B13R2.162 OC1=CC=CC2=CC=C(F)C=C12 MC431686 [0,1,0,0,0,1|2,0,0]=4 973 B13R2.328 BrC1=CC(I)=CC2=CC=CC=C12 MC431929 [0,1,0,0,0,1|2,0,0]=4 974 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 CS12194 [0,1,0,0,0,1|2,0,0]=4 975 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 MC431970 [0,1,0,0,0,1|2,0,0]=4 976 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 MC440080 [0,1,0,0,0,1|2,0,0]=4 977 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 MC115947 [0,1,0,0,0,1|2,0,0]=4 978 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS10067 [0,1,0,0,0,1|2,0,0]=4 979 B13R2.328 CC1=CC2=CC=CC=C2C(=O)N1 MC33415 [0,1,0,0,0,1|1,0,0]=3 980 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 CS17170 [0,1,0,0,0,1|1,0,0]=3 981 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 MC33405 [0,1,0,0,0,1|1,0,0]=3 982 B13R2.328 CC1=NC(Cl)=NC2=CC=CC=C21 CS21451 [0,1,0,0,0,1|2,0,0]=4 983 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 CS21531 [0,1,0,0,0,1|1,0,0]=3 984 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 CS22654 [0,1,0,0,0,1|1,0,0]=3 985 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 MC113274 [0,1,0,0,0,1|1,0,0]=3 986 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=N1 CS12359 [0,1,0,0,0,1|1,0,0]=3 987 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 CS10935 [0,1,0,0,0,1|2,0,0]=4 988 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 MC10229 [0,1,0,0,0,1|2,0,0]=4 989 B13R2.328 ClC1=NC2=CC=CC=C2C(Cl)=N1 CS19961 [0,1,0,0,0,1|2,0,0]=4 990 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS22591 [0,1,0,0,0,1|2,0,0]=4 991 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 MC442263 [0,1,0,0,0,1|2,0,0]=4 992 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 CS22546 [0,1,0,0,0,1|2,0,0]=4 993 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 CS17133 [0,1,0,0,0,1|2,0,0]=4 994 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 MC441080 [0,1,0,0,0,1|2,0,0]=4 995 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 CS21246 [0,1,0,0,0,1|2,0,0]=4 996 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 MC442487 [0,1,0,0,0,1|2,0,0]=4 997 B13R2.328 NC1=NC2=CC=CC=C2C(O)=N1 MC442491 [0,1,0,0,0,1|2,0,0]=4 998 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,1,0,0,0,1|2,0,0]=4 999 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [0,1,0,0,0,1|1,0,0]=3 1000 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [0,1,0,0,0,1|2,0,0]=4 1001 B13R2.328 O=C1NC(Cl)=NC2=CC=CC=C12 CS15421 [0,1,0,0,0,1|2,0,0]=4 1002 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,1,0,0,0,1|2,0,0]=4 1003 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 CS21445 [0,1,0,0,0,1|2,0,0]=4 1004 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [0,1,0,0,0,1|2,0,0]=4 1005 B13R2.369 BrC1=NC2=CC=CC=C2N=C1Br MC425763 [0,1,0,0,0,1|2,0,0]=4 1006 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [0,1,0,0,0,1|2,0,0]=4 1007 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS15838 [0,1,0,0,0,1|2,0,0]=4 1008 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl MC434068 [0,1,0,0,0,1|2,0,0]=4 1009 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [0,1,0,0,0,1|2,0,0]=4 1010 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 MC426176 [0,1,0,0,0,1|2,0,0]=4 1011 B13R2.3683 BrC1=CC=C2N=C(Br)N=CC2=C1 MC113203 [0,1,0,0,0,1|2,0,0]=4 1012 B13R2.3683 BrC1=CC=C2N=C(I)N=CC2=C1 MC442986 [0,1,0,0,0,1|2,0,0]=4 1013 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 CS10734 [0,1,0,0,0,1|1,0,0]=3 1014 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CS10739 [0,1,0,0,0,1|1,0,0]=3 1015 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 CS11285 [0,1,0,0,0,1|1,0,0]=3 1016 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 MC41789 [0,1,0,0,0,1|1,0,0]=3 1017 B13R2.3683 CC1CNC2=C(C=CC(F)=C2)O1 MC430156 [0,1,0,0,0,1|0,0,2]=4 1018 B13R2.3683 C[N+]1=CC2=CC=C(Br)C=C2C=C1 MC111531 [0,1,0,0,0,1|2,0,0]=4 1019 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2C=N1 MC444448 [0,1,0,0,0,1|2,0,0]=4 1020 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 MC115949 [0,1,0,0,0,1|2,0,0]=4 1021 B13R2.3683 ClC1=CC=C2N=C(Cl)C=NC2=C1 MC428045 [0,1,0,0,0,1|2,0,0]=4 1022 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 CS21349 [0,1,0,0,0,1|2,0,0]=4 1023 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=N1 MC425579 [0,1,0,0,0,1|2,0,0]=4 1024 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2N=C1 CS12320 [0,1,0,0,0,1|2,0,0]=4 1025 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 MC33106 [0,1,0,0,0,1|2,0,0]=4 1026 B13R2.3683 FC1=CC=C2N=C(Cl)C=NC2=C1 CS12214 [0,1,0,0,0,1|2,0,0]=4 1027 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 MC107029 [0,1,0,0,0,1|2,0,0]=4 1028 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 MC41747 [0,1,0,0,0,1|2,0,0]=4 1029 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=N1 CS12647 [0,1,0,0,0,1|2,0,0]=4 1030 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 MC113416 [0,1,0,0,0,1|2,0,0]=4 1031 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 MC441034 [0,1,0,0,0,1|2,0,0]=4 1032 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 CS16608 [0,1,0,0,0,1|2,0,0]=4 1033 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 MC442450 [0,1,0,0,0,1|2,0,0]=4 1034 B13R2.3683 NC1=CC=C2NC(=O)C=NC2=C1 MC443765 [0,1,0,0,0,1|2,0,0]=4 1035 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=C1 MC113287 [0,1,0,0,0,1|2,0,0]=4 1036 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=N1 CS10636 [0,1,0,0,0,1|2,0,0]=4 1037 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 CS18810 [0,1,0,0,0,1|2,0,0]=4 1038 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 CS12500 [0,1,0,0,0,1|1,0,0]=3 1039 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 CS13132 [0,1,0,0,0,1|2,0,0]=4 1040 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 CS13992 [0,1,0,0,0,1|2,0,0]=4 1041 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 MC443490 [0,1,0,0,0,1|1,0,1]=4 1042 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 MC442200 [0,1,0,0,0,1|2,0,0]=4 1043 B13R2.3683 O=C1COC2=C(C=CC(Cl)=C2)N1 CS10801 [0,1,0,0,0,1|2,0,0]=4 1044 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 MC442458 [0,1,0,0,0,1|2,0,0]=4 1045 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 CS15735 [0,1,0,0,0,1|2,0,0]=4 1046 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 MC442454 [0,1,0,0,0,1|2,0,0]=4 1047 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 MC444421 [0,1,0,0,0,1|2,0,0]=4 1048 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 MC10146 [0,1,0,0,0,1|2,0,0]=4 1049 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 CS13742 [0,1,0,0,0,1|2,0,0]=4 1050 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 MC441106 [0,1,0,0,0,1|2,0,0]=4 1051 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 MC441035 [0,1,0,0,0,1|2,0,0]=4 1052 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 CS10985 [0,1,0,0,0,1|2,0,0]=4 1053 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 MC115647 [0,1,0,0,0,1|2,0,0]=4 1054 B13R2.5179 BrC1=CC2=CC=CC(I)=C2N=C1 MC102529 [0,1,0,0,0,1|2,0,0]=4 1055 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 MC443382 [0,1,0,0,0,1|2,0,0]=4 1056 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 MC443731 [0,1,0,0,0,1|1,0,0]=3 1057 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 MC41751 [0,1,0,0,0,1|1,0,0]=3 1058 B13R2.5179 ClC1=NC2=CC=CC(Br)=C2C=N1 CS16510 [0,1,0,0,0,1|2,0,0]=4 1059 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=N1 CS13142 [0,1,0,0,0,1|2,0,0]=4 1060 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2N=C1 MC115889 [0,1,0,0,0,1|2,0,0]=4 1061 B13R2.5179 FC1=C2C=NC(Cl)=CC2=CC=C1 MC10452 [0,1,0,0,0,1|2,0,0]=4 1062 B13R2.5179 FC1=C2C=NC(Cl)=NC2=CC=C1 MC431898 [0,1,0,0,0,1|2,0,0]=4 1063 B13R2.5179 FC1=C2N=CC(Br)=CC2=CC=C1 MC429330 [0,1,0,0,0,1|2,0,0]=4 1064 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 MC115831 [0,1,0,0,0,1|2,0,0]=4 1065 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 MC432422 [0,1,0,0,0,1|2,0,0]=4 1066 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 MC441079 [0,1,0,0,0,1|2,0,0]=4 1067 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=N1 MC115590 [0,1,0,0,0,1|2,0,0]=4 1068 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 MC103322 [0,1,0,0,0,1|2,0,0]=4 1069 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 MC441078 [0,1,0,0,0,1|2,0,0]=4 1070 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [0,1,0,0,0,1|2,0,0]=4 1071 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS16736 [0,1,0,0,0,1|2,0,0]=4 1072 B13R2.5179 OC1=CC=CC2=CC(F)=CC=C12 MC431749 [0,1,0,0,0,1|2,0,0]=4 1073 B13R2.45 CC1=C(C#N)SC2=C1C=CC=C2 CS12840 [0,2,0,0,0,0|0,1,1]=4 1074 B13R2.45 CN1C(CBr)=NC2=C1C=CC=C2 CS13411 [0,2,0,0,0,0|2,0,0]=4 1075 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 MC425400 [0,2,0,0,0,0|1,0,0]=3 1076 B13R2.45 N#CC1=C(O)C2=C(C=CC=C2)S1 MC118157 [0,2,0,0,0,0|0,1,1]=4 1077 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 CS10068 [0,2,0,0,0,0|1,0,0]=3 1078 B13R2.135 CC1=C(C=O)C2=CC=CN=C2N1 CS14361 [0,2,0,0,0,0|2,0,0]=4 1079 B13R2.135 CC1=C(C=O)N2C=CC=CC2=N1 MC441097 [0,2,0,0,0,0|2,0,0]=4 1080 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 MC443450 [0,2,0,0,0,0|1,1,0]=4 1081 B13R2.359 CC1=Nc2ccccc2C1(C)C MC445122 [0,2,0,0,0,0|1,0,1]=4 1082 B13R2.3028 CC1=C(C)C2=CC(Br)=CN=C2N1 MC111359 [0,2,0,0,0,0|2,0,0]=4 1083 B13R2.3028 CC1=C(C)N2C=C(Br)C=CC2=N1 MC441098 [0,2,0,0,0,0|2,0,0]=4 1084 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CS10988 [0,2,0,0,0,0|2,0,0]=4 1085 B13R2.3028 CC1Cc2ccc(F)cc2C1=O MC30019 [0,2,0,0,0,0|1,0,1]=4 1086 B13R2.3028 CN1C(I)=CC2=CC=C(Cl)C=C21 MC114570 [0,2,0,0,0,0|2,0,0]=4 1087 B13R2.3028 CN1CC2=CC=C(N)C=C2C1=O MC446650 [0,2,0,0,0,0|2,0,0]=4 1088 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O CS22039 [0,2,0,0,0,0|2,0,0]=4 1089 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O CS10615 [0,2,0,0,0,0|2,0,0]=4 1090 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O CS22060 [0,2,0,0,0,0|2,0,0]=4 1091 B13R2.3085 CC1=C(I)N(C)C2=CC=CC=C21 MC114572 [0,2,0,0,0,0|2,0,0]=4 1092 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 CS16681 [0,2,0,0,0,0|1,0,0]=3 1093 B13R2.4825 CC1=C2C=CC=C(Br)C2=NN1C MC101935 [0,2,0,0,0,0|2,0,0]=4 1094 B13R2.4825 CN1CC2=C(N)C=CC=C2C1=O MC103468 [0,2,0,0,0,0|2,0,0]=4 1095 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O CS13925 [0,2,0,0,0,0|2,0,0]=4 1096 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O CS20590 [0,2,0,0,0,0|2,0,0]=4 1097 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O CS10646 [0,2,0,0,0,0|2,0,0]=4 1098 B13R2.4856 CN1CC2=CC=CC(N)=C2C1=O MC104799 [0,2,0,0,0,0|2,0,0]=4 1099 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O CS13924 [0,2,0,0,0,0|2,0,0]=4 1100 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O CS22789 [0,2,0,0,0,0|2,0,0]=4 1101 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS22839 [0,2,0,0,0,0|2,0,0]=4 1102 B13R2.5190 CC1=C2C=CC(I)=CC2=NN1C MC101930 [0,2,0,0,0,0|2,0,0]=4 1103 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C MC42307 [0,2,0,0,0,0|2,0,0]=4 1104 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C MC42308 [0,2,0,0,0,0|2,0,0]=4 1105 B13R2.5190 CC1=CC2=NC(C)=C(Br)N2C=C1 MC102729 [0,2,0,0,0,0|2,0,0]=4 1106 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O MC446699 [0,2,0,0,0,0|1,0,1]=4 1107 B13R2.5190 CN1CC2=CC(Br)=CC=C2C1=O CS12956 [0,2,0,0,0,0|2,0,0]=4 1108 B13R2.5190 CN1CC2=CC(N)=CC=C2C1=O MC112990 [0,2,0,0,0,0|2,0,0]=4 1109 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O CS15400 [0,2,0,0,0,0|2,0,0]=4 1110 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O CS10616 [0,2,0,0,0,0|2,0,0]=4 1111 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O CS10704 [0,2,0,0,0,0|2,0,0]=4 1112 B13R2.26 BrCCC1=NC2=C(C=CC=C2)N1 MC425711 [0,2,0,0,0,0|2,0,0]=4 1113 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 CS19133 [0,2,0,0,0,0|2,0,0]=4 1114 B13R2.26 CCSC1=CN2C=CC=CC2=N1 MC431201 [0,2,0,0,0,0|2,0,0]=4 1115 B13R2.26 CNCC1=NC2=C(C=CC=C2)O1 CS17984 [0,2,0,0,0,0|1,0,0]=3 1116 B13R2.26 N#CCC1=NC2=C(C=CC=C2)N1 CS21519 [0,2,0,0,0,0|2,0,0]=4 1117 B13R2.43 BrCC1=CC2=C(C=CC(Br)=C2)O1 MC427521 [0,2,0,0,0,0|0,0,0]=2 1118 B13R2.43 CC1=CC=C2NC(C#N)=CC2=C1 MC107565 [0,2,0,0,0,0|1,0,1]=4 1119 B13R2.43 CCC1=CC2=C(C=CC(Br)=C2)O1 CS16990 [0,2,0,0,0,0|0,0,0]=2 1120 B13R2.43 CCC1=NC2=C(C=C(Cl)C=C2)N1 MC425475 [0,2,0,0,0,0|2,0,0]=4 1121 B13R2.43 CCC1=NC2=C(C=CC(Br)=C2)O1 CS13679 [0,2,0,0,0,0|1,0,0]=3 1122 B13R2.43 CCN1C=C2C=C(N)C=CC2=N1 CS14804 [0,2,0,0,0,0|2,0,0]=4 1123 B13R2.43 ClCC1=CN2C=C(Br)C=CC2=N1 MC100106 [0,2,0,0,0,0|2,0,0]=4 1124 B13R2.43 ClCC1=CN2C=CC(Br)=CC2=N1 MC100170 [0,2,0,0,0,0|2,0,0]=4 1125 B13R2.43 N#CC1=CC2=C(C=CC(Br)=C2)S1 MC442838 [0,2,0,0,0,0|0,1,1]=4 1126 B13R2.43 N#CC1=CC2=CC(Br)=CC=C2N1 CS16885 [0,2,0,0,0,0|1,0,1]=4 1127 B13R2.43 NCC1=CC2=CC(Cl)=CC=C2N1 CS16665 [0,2,0,0,0,0|1,0,0]=3 1128 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 MC441100 [0,2,0,0,0,0|0,1,1]=4 1129 B13R2.43 O=CC1=CC2=CC=C(Cl)C=C2N1 CS16674 [0,2,0,0,0,0|1,0,1]=4 1130 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)S1 CS14133 [0,2,0,0,0,0|0,1,0]=3 1131 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)O1 MC427348 [0,2,0,0,0,0|0,0,0]=2 1132 B13R2.43 OCC1=NC2=C(C=C(F)C=C2)S1 MC114624 [0,2,0,0,0,0|1,1,0]=4 1133 B13R2.43 OCC1=NC2=C(C=CC(Br)=C2)N1 MC33336 [0,2,0,0,0,0|2,0,0]=4 1134 B13R2.54 CC1=CC=CN2C=C(CCl)N=C12 MC443735 [0,2,0,0,0,0|2,0,0]=4 1135 B13R2.54 CCC1=NC2=C(O1)C(Br)=CN=C2 MC427116 [0,2,0,0,0,0|2,0,0]=4 1136 B13R2.54 ClC1=CC=CC2=C1SC(CBr)=C2 MC106276 [0,2,0,0,0,0|0,1,0]=3 1137 B13R2.54 ClC1=NC=CC2=C1C=C(CBr)S2 MC113097 [0,2,0,0,0,0|1,1,0]=4 1138 B13R2.54 ClCC1=CN2C(Br)=CC=CC2=N1 MC100105 [0,2,0,0,0,0|2,0,0]=4 1139 B13R2.54 N#CC1=CC2=C(Br)C=CC=C2N1 MC113397 [0,2,0,0,0,0|1,0,1]=4 1140 B13R2.54 N#CC1=CC2=C(Cl)C=CC=C2N1 CS16884 [0,2,0,0,0,0|1,0,1]=4 1141 B13R2.54 N#CC1=CC2=NC=CC(Cl)=C2O1 MC104019 [0,2,0,0,0,0|1,0,1]=4 1142 B13R2.54 NCC1=CC2=C(C=CN=C2Cl)S1 MC113101 [0,2,0,0,0,0|1,1,0]=4 1143 B13R2.54 OCC1=CC2=C(C=CC=C2Br)O1 MC427210 [0,2,0,0,0,0|0,0,0]=2 1144 B13R2.435 BrC(Br)C1=NC2=C(C=CC=C2)S1 MC121313 [0,2,0,0,0,0|1,1,0]=4 1145 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,2,0,0,0,0|0,1,0]=3 1146 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,2,0,0,0,0|1,0,0]=3 1147 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,2,0,0,0,0|2,0,0]=4 1148 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,2,0,0,0,0|1,0,0]=3 1149 B13R2.435 FC(F)C1=CC2=CC=CN=C2N1 MC104633 [0,2,0,0,0,0|2,0,0]=4 1150 B13R2.435 FC(F)C1=NC2=C(C=CC=C2)N1 CS12551 [0,2,0,0,0,0|2,0,0]=4 1151 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,2,0,0,0,0|0,0,1]=3 1152 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,2,0,0,0,0|0,1,1]=4 1153 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,2,0,0,0,0|1,0,1]=4 1154 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,2,0,0,0,0|1,0,1]=4 1155 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,2,0,0,0,0|1,0,1]=4 1156 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 MC440271 [0,2,0,0,0,0|1,1,0]=4 1157 B13R2.3051 CC1(C)CC2=C(C=C(Cl)C=C2)O1 MC111857 [0,2,0,0,0,0|0,0,2]=4 1158 B13R2.3051 CC1(C)OC2=C(C=C(N)C=C2)O1 MC443246 [0,2,0,0,0,0|1,0,1]=4 1159 B13R2.581 CN1C=C2C=CC=C(C=O)C2=N1 MC104567 [0,2,0,0,0,0|2,0,0]=4 1160 B13R2.3050 CC1=C(Br)C2=CN(C)N=C2C=C1 MC100240 [0,2,0,0,0,0|2,0,0]=4 1161 B13R2.3050 CC1=C(Br)C=CC2=NN(C)C=C21 MC100241 [0,2,0,0,0,0|2,0,0]=4 1162 B13R2.3050 CC1=CC2=C(F)C(F)=CC=C2N1 CS16155 [0,2,0,0,0,0|1,0,0]=3 1163 B13R2.3050 CC1=CC2=C(F)C(N)=CC=C2N1 CS20716 [0,2,0,0,0,0|1,0,0]=3 1164 B13R2.3050 CC1=CC2=C(F)C(O)=CC=C2N1 MC425737 [0,2,0,0,0,0|1,0,0]=3 1165 B13R2.5397 NC1=NC2=C(O1)C(F)=CC(Br)=C2 MC111808 [0,2,0,0,0,0|2,0,0]=4 1166 B13R2.2121 CC1=NC2=C(C=C(C#N)C=C2)S1 MC427376 [0,2,0,0,0,0|1,1,0]=4 1167 B13R2.2121 CC1=NC2=C(C=C(CO)C=C2)O1 CS17212 [0,2,0,0,0,0|1,0,0]=3 1168 B13R2.2121 CC1=NC2=C(C=CC(C#N)=C2)S1 CS16591 [0,2,0,0,0,0|1,1,0]=4 1169 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)S1 MC107171 [0,2,0,0,0,0|1,1,0]=4 1170 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 MC104564 [0,2,0,0,0,0|2,0,0]=4 1171 B13R2.2121 CNC1=CC2=C(C=C1)OC(C)=N2 MC100356 [0,2,0,0,0,0|1,0,0]=3 1172 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)N2 MC425727 [0,2,0,0,0,0|2,0,0]=4 1173 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 CS10723 [0,2,0,0,0,0|1,0,0]=3 1174 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 CS10722 [0,2,0,0,0,0|1,1,0]=4 1175 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 MC10333 [0,2,0,0,0,0|1,0,0]=3 1176 B13R2.13083 CC1=CC2=C(C=C1N)N=C(C)S2 MC427602 [0,2,0,0,0,0|1,1,0]=4 1177 B13R2.13083 CC1=CC2=C(C=C1N)SC(C)=N2 MC427472 [0,2,0,0,0,0|1,1,0]=4 1178 B13R2.13083 CN1C=C2C=C(O)C(Br)=CC2=N1 MC104077 [0,2,0,0,0,0|2,0,0]=4 1179 B13R2.13083 O=C1NC2=C(C=C(Br)C(Cl)=C2)O1 CS11077 [0,2,0,0,0,0|2,0,0]=4 1180 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [0,0,1,1,0,0|2,0,0]=4 1181 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [0,0,1,1,0,0|1,0,1]=4 1182 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [0,0,1,1,0,0|2,0,0]=4 1183 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [0,0,1,1,0,0|2,0,0]=4 1184 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,1,0,1,0|1,0,0]=3 1185 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,0,1,0,1,0|1,0,0]=3 1186 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,1,0,1,0|0,0,1]=3 1187 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,1,0,1,0|1,0,1]=4 1188 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,1,0,1,0|1,0,1]=4 1189 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,1,0,1,0|1,0,1]=4 1190 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,0,1,0,1,0|1,0,1]=4 1191 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,0,1,0,1,0|1,0,1]=4 1192 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,0,1,0,1,0|1,0,1]=4 1193 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,0,1,0,1,0|0,0,1]=3 1194 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,1,0,1,0|1,0,1]=4 1195 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,1,0,1,0|1,0,1]=4 1196 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,0,1,0,1,0|1,0,1]=4 1197 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,1,0,1,0|1,0,1]=4 1198 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,0,1,0,1,0|2,0,0]=4 1199 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,1,0,1,0|1,0,1]=4 1200 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,0,1,0,1,0|1,1,0]=4 1201 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,1,0,1,0|1,0,1]=4 1202 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,1,0,1,0|1,0,0]=3 1203 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,1,0,1,0|2,0,0]=4 1204 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,1,0,1,0|2,0,0]=4 1205 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [0,0,1,0,1,0|2,0,0]=4 1206 B9R2.3 C1=CC2=C(C=CS2)S1 CS19885 [1,0,0,0,1,0|1,1,0]=4 1207 B9R2.3 C1=CC2=C(S1)SC=C2 MC442192 [1,0,0,0,1,0|1,1,0]=4 1208 B9R2.50 C1=CC=C2CCC2=C1 CS19267 [1,0,0,0,1,0|0,0,2]=4 1209 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [0,0,1,0,0,1|2,0,0]=4 1210 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,1,0,0,1|1,0,0]=3 1211 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,1,0,0,1|2,0,0]=4 1212 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,1,0,0,1|2,0,0]=4 1213 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,0,1,0,0,1|1,0,1]=4 1214 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,1,0,0,1|2,0,0]=4 1215 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,0,1,0,0,1|1,0,1]=4 1216 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,1,0,0,1|1,0,1]=4 1217 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,0,1,0,0,1|1,0,0]=3 1218 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,0,1,0,0,1|2,0,0]=4 1219 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,0,1,0,0,1|2,0,0]=4 1220 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [0,0,1,0,0,1|2,0,0]=4 1221 B11R1.37 C=CC1=C(C=O)C=CC(C)=C1 MC112222 [0,0,1,0,0,1|2,0,0]=4 1222 B11R2.18 C1=CC=C2C=CC=C2C=C1 MC20363 [1,0,0,0,0,1|1,0,0]=3 1223 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,0,0,0,2|2,0,0]=4