0 B12R2.612 BrC1=CC=C2C(=C1)NN=C2I MC441884 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.612 CC1=C2C=CC(Br)=CC2=NN1 CS10638 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.612 CC1=C2C=CC(Br)=CN2N=N1 MC111711 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 MC115929 [0,0,0,0,0,0|1,0,2]=3 4 B12R2.612 CC1=CC2=NNC(I)=C2C=C1 MC425381 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 MC441836 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.612 CC1=CNC2=NC(Cl)=CC=C12 MC102009 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 MC441296 [0,0,0,0,0,0|2,1,0]=3 9 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 MC441272 [0,0,0,0,0,0|2,2,0]=4 10 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 MC441867 [0,0,0,0,0,0|2,1,0]=3 11 B12R2.612 CC1=NN=C2C=C(Br)C=CN12 CS15191 [0,0,0,0,0,0|3,1,0]=4 12 B12R2.612 CC1=NNC2=C1C=NC(Cl)=C2 CS14412 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 CS10639 [0,0,0,0,0,0|2,1,0]=3 14 B12R2.612 CC1=NNC2=CC(Br)=CN=C21 MC103544 [0,0,0,0,0,0|3,1,0]=4 15 B12R2.612 CC1=NNC2=CC(Cl)=CC=C21 MC441347 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.612 CC1=NNC2=CC(F)=CC=C21 MC441188 [0,0,0,0,0,0|2,1,0]=3 17 B12R2.612 CC1=NNC2=CC(I)=CC=C21 MC441346 [0,0,0,0,0,0|2,1,0]=3 18 B12R2.612 CC1=NNC2=CC(N)=CC=C21 MC441348 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.612 CC1=NNC2=CC(O)=CC=C21 MC441350 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.612 CC1=NNC2=NC(Br)=CC=C12 MC441387 [0,0,0,0,0,0|3,1,0]=4 21 B12R2.612 CC1=NNC2=NC(Cl)=CC=C12 MC441385 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.612 CC1=NNC2=NC(F)=CC=C12 MC441384 [0,0,0,0,0,0|3,1,0]=4 23 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 CS12249 [0,0,0,0,0,0|2,0,0]=2 24 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 MC41765 [0,0,0,0,0,0|3,1,0]=4 25 B12R2.612 CN1N=CC2=CC(N)=CC=C21 CS18338 [0,0,0,0,0,0|4,0,0]=4 26 B12R2.612 CN1N=CC2=CC(O)=CC=C21 CS13076 [0,0,0,0,0,0|4,0,0]=4 27 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 MC427583 [0,0,0,0,0,0|3,1,0]=4 28 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=NO2 CS15249 [0,0,0,0,0,0|1,0,0]=1 29 B12R2.612 ClC1=CC2=C(C=N1)C(I)=NN2 MC443622 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.612 ClC1=CC=C2C(=C1)NN=C2Br MC107256 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.612 ClC1=CC=C2C(=C1)NN=C2I MC441894 [0,0,0,0,0,0|2,0,0]=2 32 B12R2.612 ClC1=CC=C2C(Br)=NNC2=N1 MC441897 [0,0,0,0,0,0|3,0,0]=3 33 B12R2.612 ClC1=NN=C2C=C(Br)C=CN12 MC103555 [0,0,0,0,0,0|3,1,0]=4 34 B12R2.612 ClC1=NNC2=CC(Br)=CC=C21 CS18533 [0,0,0,0,0,0|2,1,0]=3 35 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 MC442243 [0,0,0,0,0,0|1,1,0]=2 36 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 MC115930 [0,0,0,0,0,0|1,1,0]=2 37 B12R2.612 FC1=CC=C2C(=C1)NN=C2Br CS13210 [0,0,0,0,0,0|2,1,0]=3 38 B12R2.612 FC1=CC=C2C(=C1)NN=C2I MC441881 [0,0,0,0,0,0|2,1,0]=3 39 B12R2.612 FC1=CC=C2C(Br)=CNC2=C1 MC430126 [0,0,0,0,0,0|3,1,0]=4 40 B12R2.612 NC1=CC=C2C(=C1)NN=C2I MC444405 [0,0,0,0,0,0|3,0,0]=3 41 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,0,0,0,0,0|3,0,1]=4 42 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 MC100084 [0,0,0,0,0,0|2,0,2]=4 43 B12R2.612 NC1=NNC2=C1C=NC(Cl)=C2 MC441840 [0,0,0,0,0,0|3,0,0]=3 44 B12R2.612 NC1=NNC2=CC(Br)=CC=C21 MC441375 [0,0,0,0,0,0|2,1,0]=3 45 B12R2.612 NC1=NNC2=CC(Br)=CN=C21 MC441844 [0,0,0,0,0,0|3,1,0]=4 46 B12R2.612 NC1=NNC2=CC(Cl)=CC=C21 MC441376 [0,0,0,0,0,0|2,0,0]=2 47 B12R2.612 NC1=NNC2=NC(Cl)=CC=C12 MC441392 [0,0,0,0,0,0|3,0,0]=3 48 B12R2.612 NC1=NOC2=C1C=CC(Br)=C2 CS10654 [0,0,0,0,0,0|1,1,0]=2 49 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,0,0,0,0,0|2,1,1]=4 50 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,0,0,0,0,0|2,0,1]=3 51 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,0,0,0,0,0|2,1,1]=4 52 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,0,0,0,0,0|3,0,1]=4 53 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [0,0,0,0,0,0|1,1,1]=3 54 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [0,0,0,0,0,0|1,0,1]=2 55 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,0,0,0,0,0|2,0,1]=3 56 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 CS12118 [0,0,0,0,0,0|1,1,2]=4 57 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 CS10349 [0,0,0,0,0,0|1,0,2]=3 58 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [0,0,0,0,0,0|1,1,2]=4 59 B12R2.612 O=C1NCC2=CC(O)=CC=C12 CS15015 [0,0,0,0,0,0|2,0,2]=4 60 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [0,0,0,0,0,0|1,1,2]=4 61 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 CS16833 [0,0,0,0,0,0|0,1,2]=3 62 B12R2.612 O=C1OCC2=C1C=NC(Cl)=C2 MC104939 [0,0,0,0,0,0|3,0,1]=4 63 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [0,0,0,0,0,0|2,1,1]=4 64 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,0,0,0,0,0|2,1,1]=4 65 B12R2.612 OC1=NNC2=CC(Br)=CC=C21 CS10623 [0,0,0,0,0,0|1,1,0]=2 66 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 MC20600 [0,0,0,0,0,0|0,0,0]=0 67 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [1,0,0,0,0,0|2,0,0]=3 68 B11R2.1 BrC1=NN=C2C=CC=CN12 CS14600 [1,0,0,0,0,0|3,0,0]=4 69 B11R2.1 BrC1=NNC2=C1C=NC=C2 CS12244 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [1,0,0,0,0,0|2,0,0]=3 71 B11R2.1 BrC1=NNC2=CC=CN=C21 CS12243 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.1 BrC1=NNC2=CN=CC=C21 MC441847 [1,0,0,0,0,0|3,0,0]=4 73 B11R2.1 BrC1=NNC2=NC=CC=C12 MC441378 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,0,0,0,0,0|2,0,0]=3 77 B11R2.1 CC1=NNC2=C1C=NC=C2 MC441394 [1,0,0,0,0,0|3,0,0]=4 78 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [1,0,0,0,0,0|2,0,0]=3 79 B11R2.1 CC1=NNC2=CC=CN=C21 MC442333 [1,0,0,0,0,0|3,0,0]=4 80 B11R2.1 CC1=NNC2=CN=CC=C21 CS15158 [1,0,0,0,0,0|3,0,0]=4 81 B11R2.1 CC1=NNC2=NC=CC=C12 CS20725 [1,0,0,0,0,0|3,0,0]=4 82 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [1,0,0,0,0,0|1,0,0]=2 83 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [1,0,0,0,0,0|3,0,0]=4 84 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [1,0,0,0,0,0|2,0,0]=3 85 B11R2.1 ClC1=NNC2=CN=CC=C21 CS16536 [1,0,0,0,0,0|3,0,0]=4 86 B11R2.1 ClC1=NNC2=NC=CC=C12 MC107543 [1,0,0,0,0,0|3,0,0]=4 87 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [1,0,0,0,0,0|1,0,0]=2 88 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [1,0,0,0,0,0|2,1,0]=4 89 B11R2.1 IC1=NNC2=C1C=NC=C2 MC104617 [1,0,0,0,0,0|3,0,0]=4 90 B11R2.1 IC1=NNC2=CC=CN=C21 MC442332 [1,0,0,0,0,0|3,0,0]=4 91 B11R2.1 IC1=NNC2=CN=CC=C21 MC442335 [1,0,0,0,0,0|3,0,0]=4 92 B11R2.1 IC1=NNC2=NC=CC=C12 CS12789 [1,0,0,0,0,0|3,0,0]=4 93 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [1,0,0,0,0,0|2,1,0]=4 94 B11R2.1 NC1=NNC2=C1C=NC=C2 MC116280 [1,0,0,0,0,0|3,0,0]=4 95 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [1,0,0,0,0,0|2,0,0]=3 96 B11R2.1 NC1=NNC2=CN=CC=C21 MC442334 [1,0,0,0,0,0|3,0,0]=4 97 B11R2.1 NC1=NNC2=NC=CC=C12 MC33322 [1,0,0,0,0,0|3,0,0]=4 98 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [1,0,0,0,0,0|1,0,0]=2 99 B11R2.1 NC1=NOC2=CC=CN=C21 CS12630 [1,0,0,0,0,0|2,0,0]=3 100 B11R2.1 NC1=NOC2=NC=CN=C12 MC113217 [1,0,0,0,0,0|3,0,0]=4 101 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [1,0,0,0,0,0|1,1,0]=3 102 B11R2.1 NC1=NSC2=NC=CC=C12 CS15789 [1,0,0,0,0,0|2,1,0]=4 103 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,0,0,0|2,0,1]=4 104 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [1,0,0,0,0,0|1,0,1]=3 105 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [1,0,0,0,0,0|2,0,1]=4 106 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [1,0,0,0,0,0|2,0,1]=4 107 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [1,0,0,0,0,0|1,1,1]=4 108 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [1,0,0,0,0,0|1,0,2]=4 109 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [1,0,0,0,0,0|1,0,2]=4 110 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [1,0,0,0,0,0|0,1,2]=4 111 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [1,0,0,0,0,0|2,0,1]=4 112 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [1,0,0,0,0,0|1,1,1]=4 113 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [1,0,0,0,0,0|0,0,0]=1 114 B11R2.1 ON1N=NC2=C1C=CC=C2 CS19338 [1,0,0,0,0,0|2,0,0]=3 115 B11R2.1 ON1N=NC2=C1C=CC=C2 CS22993 [1,0,0,0,0,0|2,0,0]=3 116 B11R2.1 ON1N=NC2=CC=CN=C21 CS22721 [1,0,0,0,0,0|3,0,0]=4 117 B11R2.36 BrC1=CC2=C(C=C1)C=NO2 CS13230 [1,0,0,0,0,0|0,1,0]=2 118 B11R2.36 BrC1=CC2=C(C=C1)CCO2 MC441170 [1,0,0,0,0,0|1,1,1]=4 119 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 CS14721 [1,0,0,0,0,0|2,1,0]=4 120 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 CS12317 [1,0,0,0,0,0|2,1,0]=4 121 B11R2.36 BrC1=CC2=C(C=C1)SN=C2 MC102545 [1,0,0,0,0,0|2,1,0]=4 122 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 MC115957 [1,0,0,0,0,0|1,1,0]=3 123 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 CS12830 [1,0,0,0,0,0|1,2,0]=4 124 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 MC33256 [1,0,0,0,0,0|2,1,0]=4 125 B11R2.36 BrC1=CC2=NN=CN2C=C1 CS14341 [1,0,0,0,0,0|2,1,0]=4 126 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS22089 [1,0,0,0,0,0|2,1,0]=4 127 B11R2.36 BrC1=CC=C2C=NNC2=C1 CS18484 [1,0,0,0,0,0|1,1,0]=3 128 B11R2.36 BrC1=CC=C2C=NNC2=N1 CS16539 [1,0,0,0,0,0|2,1,0]=4 129 B11R2.36 BrC1=CC=C2NN=CC2=C1 CS15506 [1,0,0,0,0,0|2,1,0]=4 130 B11R2.36 BrC1=CN=C2C=NNC2=C1 CS14371 [1,0,0,0,0,0|2,1,0]=4 131 B11R2.36 Brc1ccc2c(c1)OCO2 CS19789 [1,0,0,0,0,0|2,1,0]=4 132 B11R2.36 CC1=CC2=C(C=CS2)C=C1 MC441147 [1,0,0,0,0,0|2,1,0]=4 133 B11R2.36 CC1=CC=C2C=CCC2=C1 MC446782 [1,0,0,0,0,0|3,0,0]=4 134 B11R2.36 CC1=CC=C2C=NNC2=N1 MC441899 [1,0,0,0,0,0|3,0,0]=4 135 B11R2.36 CC1=CC=C2NN=CC2=C1 MC425397 [1,0,0,0,0,0|3,0,0]=4 136 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 MC443515 [1,0,0,0,0,0|3,0,0]=4 137 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 MC31093 [1,0,0,0,0,0|2,0,0]=3 138 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 MC441158 [1,0,0,0,0,0|3,0,0]=4 139 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 CS19972 [1,0,0,0,0,0|3,0,0]=4 140 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 CS20641 [1,0,0,0,0,0|3,0,0]=4 141 B11R2.36 ClC1=CC2=C(C=C1)SC=N2 CS10346 [1,0,0,0,0,0|3,0,0]=4 142 B11R2.36 ClC1=CC2=C(C=CN2)C=N1 CS10681 [1,0,0,0,0,0|3,0,0]=4 143 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 MC441280 [1,0,0,0,0,0|1,0,0]=2 144 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 MC441268 [1,0,0,0,0,0|1,1,0]=3 145 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 CS14726 [1,0,0,0,0,0|2,0,0]=3 146 B11R2.36 ClC1=CC2=CON=C2C=C1 MC30332 [1,0,0,0,0,0|3,0,0]=4 147 B11R2.36 ClC1=CC2=NC=CN2C=C1 CS10808 [1,0,0,0,0,0|3,0,0]=4 148 B11R2.36 ClC1=CC=C2C=CNC2=C1 CS22097 [1,0,0,0,0,0|2,0,0]=3 149 B11R2.36 ClC1=CC=C2C=CNC2=N1 CS10660 [1,0,0,0,0,0|3,0,0]=4 150 B11R2.36 ClC1=CC=C2C=CSC2=N1 MC441320 [1,0,0,0,0,0|2,1,0]=4 151 B11R2.36 ClC1=CC=C2C=NNC2=C1 CS18428 [1,0,0,0,0,0|1,0,0]=2 152 B11R2.36 ClC1=CC=C2C=NNC2=N1 MC441203 [1,0,0,0,0,0|2,0,0]=3 153 B11R2.36 ClC1=CC=C2CCCC2=C1 MC106098 [1,0,0,0,0,0|2,0,1]=4 154 B11R2.36 ClC1=CC=C2CCNC2=C1 CS19407 [1,0,0,0,0,0|2,0,1]=4 155 B11R2.36 ClC1=CC=C2CNCC2=C1 CS15340 [1,0,0,0,0,0|1,0,2]=4 156 B11R2.36 ClC1=CC=C2CNCC2=C1 MC441088 [1,0,0,0,0,0|1,0,2]=4 157 B11R2.36 ClC1=CC=C2N=NNC2=N1 CS15865 [1,0,0,0,0,0|3,0,0]=4 158 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS22049 [1,0,0,0,0,0|3,0,0]=4 159 B11R2.36 ClC1=CC=C2NCCC2=C1 MC20079 [1,0,0,0,0,0|3,0,0]=4 160 B11R2.36 ClC1=CC=C2NN=CC2=C1 CS10312 [1,0,0,0,0,0|2,0,0]=3 161 B11R2.36 ClC1=CC=C2NN=CC2=N1 CS18556 [1,0,0,0,0,0|3,0,0]=4 162 B11R2.36 ClC1=CN=C2C=CNC2=C1 CS13065 [1,0,0,0,0,0|3,0,0]=4 163 B11R2.36 ClC1=CN=C2C=NNC2=C1 MC441845 [1,0,0,0,0,0|2,0,0]=3 164 B11R2.36 ClC1=CN=C2C=NNC2=N1 MC442346 [1,0,0,0,0,0|3,0,0]=4 165 B11R2.36 ClC1=CN=C2N=NNC2=C1 CS20696 [1,0,0,0,0,0|3,0,0]=4 166 B11R2.36 ClC1=CN=C2NN=CC2=C1 MC441380 [1,0,0,0,0,0|3,0,0]=4 167 B11R2.36 ClC1=NC=C2C=NNC2=N1 CS12633 [1,0,0,0,0,0|3,0,0]=4 168 B11R2.36 ClC1=NC=C2NN=CC2=C1 CS18469 [1,0,0,0,0,0|3,0,0]=4 169 B11R2.36 FC1=CC2=C(C=C1)CCO2 MC432264 [1,0,0,0,0,0|1,1,1]=4 170 B11R2.36 FC1=CC2=C(C=CS2)C=C1 MC113470 [1,0,0,0,0,0|1,2,0]=4 171 B11R2.36 FC1=CC=C2C=CNC2=C1 MC31140 [1,0,0,0,0,0|2,1,0]=4 172 B11R2.36 FC1=CC=C2C=NNC2=C1 CS18253 [1,0,0,0,0,0|1,1,0]=3 173 B11R2.36 FC1=CC=C2NN=CC2=C1 CS18254 [1,0,0,0,0,0|2,1,0]=4 174 B11R2.36 IC1=CC2=C(C=C1)OCO2 MC442800 [1,0,0,0,0,0|2,1,0]=4 175 B11R2.36 IC1=CC=C2C=CNC2=C1 CS13433 [1,0,0,0,0,0|2,1,0]=4 176 B11R2.36 IC1=CC=C2C=NNC2=C1 MC20851 [1,0,0,0,0,0|1,1,0]=3 177 B11R2.36 IC1=CC=C2NN=CC2=C1 CS10408 [1,0,0,0,0,0|2,1,0]=4 178 B11R2.36 NC1=CC2=C(C=C1)C=NO2 CS12165 [1,0,0,0,0,0|1,0,0]=2 179 B11R2.36 NC1=CC2=C(C=C1)N=CO2 CS20506 [1,0,0,0,0,0|3,0,0]=4 180 B11R2.36 NC1=CC2=C(C=C1)N=NS2 MC103134 [1,0,0,0,0,0|2,1,0]=4 181 B11R2.36 NC1=CC2=C(C=C1)OCO2 CS20315 [1,0,0,0,0,0|3,0,0]=4 182 B11R2.36 NC1=CC2=C(C=C1)ON=C2 CS14807 [1,0,0,0,0,0|3,0,0]=4 183 B11R2.36 NC1=CC2=C(C=CS2)C=C1 MC443212 [1,0,0,0,0,0|2,1,0]=4 184 B11R2.36 NC1=CC2=C(C=NN2)C=N1 MC116281 [1,0,0,0,0,0|3,0,0]=4 185 B11R2.36 NC1=CC=C2C=NNC2=C1 CS15642 [1,0,0,0,0,0|2,0,0]=3 186 B11R2.36 NC1=CC=C2C=NNC2=N1 MC121316 [1,0,0,0,0,0|3,0,0]=4 187 B11R2.36 NC1=CC=C2CN=NC2=C1 MC107021 [1,0,0,0,0,0|2,0,1]=4 188 B11R2.36 NC1=CC=C2NN=CC2=C1 MC444376 [1,0,0,0,0,0|3,0,0]=4 189 B11R2.36 NC1=CN=C2C=NNC2=C1 MC104324 [1,0,0,0,0,0|3,0,0]=4 190 B11R2.36 OC1=CC2=C(C=C1)C=NO2 CS12459 [1,0,0,0,0,0|1,0,0]=2 191 B11R2.36 OC1=CC2=C(C=C1)CCO2 CS16031 [1,0,0,0,0,0|2,0,1]=4 192 B11R2.36 OC1=CC2=C(C=CO2)C=C1 CS20605 [1,0,0,0,0,0|2,0,0]=3 193 B11R2.36 OC1=CC2=C(C=CS2)C=C1 MC441864 [1,0,0,0,0,0|2,1,0]=4 194 B11R2.36 OC1=CC=C2C=NNC2=C1 CS20712 [1,0,0,0,0,0|2,0,0]=3 195 B11R2.36 OC1=CC=C2NN=CC2=C1 CS20711 [1,0,0,0,0,0|3,0,0]=4 196 B13R2.662 COC1=NNC2=CC(Br)=CC=C21 MC104983 [0,1,0,0,0,0|1,1,0]=3 197 B13R2.662 COC1=NNC2=CC(N)=CC=C21 MC103815 [0,1,0,0,0,0|2,0,0]=3 198 B13R2.662 N#CC1=NNC2=CC(Br)=CC=C21 MC121296 [0,1,0,0,0,0|2,1,0]=4 199 B13R2.662 N#CC1=NNC2=CC(F)=CC=C21 MC443512 [0,1,0,0,0,0|2,1,0]=4 200 B13R2.662 O=CC1=CNC2=CC(Cl)=CC=C12 MC20417 [0,1,0,0,0,0|2,0,1]=4 201 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 MC20845 [0,1,0,0,0,0|2,0,1]=4 202 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 MC446648 [0,1,0,0,0,0|3,0,0]=4 203 B13R2.2130 COC1=CC=C2C(=C1)NN=C2Br MC106942 [0,1,0,0,0,0|3,0,0]=4 204 B13R2.2130 COC1=CC=C2C(=C1)NN=C2C CS13313 [0,1,0,0,0,0|3,0,0]=4 205 B13R2.2130 COC1=CC=C2C(=C1)NN=C2I CS12160 [0,1,0,0,0,0|3,0,0]=4 206 B13R2.2130 N#CC1=CC2=C(C=C1)C(N)=NO2 CS12239 [0,1,0,0,0,0|2,0,0]=3 207 B13R2.2130 N#CC1=CC=C2C(=C1)NN=C2N CS16893 [0,1,0,0,0,0|3,0,0]=4 208 B13R2.2130 NCC1=CC=C2C(=C1)NN=C2I MC107815 [0,1,0,0,0,0|3,0,0]=4 209 B13R2.2130 NCC1=CC=C2C(=C1)NN=C2N MC104298 [0,1,0,0,0,0|3,0,0]=4 210 B13R2.2130 O=CC1=CC=C2C(=C1)NN=C2I MC103757 [0,1,0,0,0,0|3,0,0]=4 211 B13R2.5180 CC1=NNC2=C(F)C(F)=CC=C12 MC441358 [0,1,0,0,0,0|2,1,0]=4 212 B13R2.5180 O=C1CCC2=C(Br)C(Cl)=CC=C12 MC121355 [0,1,0,0,0,0|2,0,1]=4 213 B13R2.5187 CC1=NN(C)C2=CC(Br)=CC=C21 MC444411 [0,1,0,0,0,0|2,1,0]=4 214 B13R2.5187 CC1=NN(C)C2=CC(N)=CC=C21 MC444072 [0,1,0,0,0,0|3,0,0]=4 215 B13R2.5187 CN1N=C(N)C2=CC=C(Br)C=C21 CS12557 [0,1,0,0,0,0|2,1,0]=4 216 B13R2.5187 CN1N=C(N)C2=CC=C(Cl)N=C21 MC441379 [0,1,0,0,0,0|3,0,0]=4 217 B13R2.5187 CN1N=C(N)C2=CC=C(O)C=C21 MC443704 [0,1,0,0,0,0|3,0,0]=4 218 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 MC20637 [0,1,0,0,0,0|2,0,1]=4 219 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O CS10616 [0,1,0,0,0,0|2,0,1]=4 220 B13R2.11634 CC1=NNC2=CC(F)=C(Br)C=C21 MC114040 [0,1,0,0,0,0|2,1,0]=4 221 B13R2.11634 FC1=C(Br)C=C2C(=C1)NN=C2I MC443487 [0,1,0,0,0,0|2,1,0]=4 222 B13R2.11634 FC1=C(F)C=C2C(=C1)NN=C2Br MC114067 [0,1,0,0,0,0|2,1,0]=4 223 B13R2.11634 O=C1CCC2=CC(Cl)=C(Br)C=C12 MC446738 [0,1,0,0,0,0|2,0,1]=4 224 B13R2.11634 O=C1CCC2=CC(Cl)=C(Cl)C=C12 CS14528 [0,1,0,0,0,0|2,0,1]=4 225 B13R2.11634 O=C1NCC2=CC(Cl)=C(I)C=C12 MC443653 [0,1,0,0,0,0|1,0,2]=4 226 B13R2.11634 OC1CCC2=CC(Cl)=C(Cl)C=C21 MC113673 [0,1,0,0,0,0|2,0,1]=4 227 B13R2.11642 CC1=C2C(=O)CCC2=CC(Cl)=C1 MC446743 [0,1,0,0,0,0|2,0,1]=4 228 B13R2.11642 CC1=NNC2=CC(Br)=CC(F)=C21 MC441359 [0,1,0,0,0,0|2,1,0]=4 229 B13R2.11642 CC1=NNC2=CC(N)=CC(F)=C21 MC102004 [0,1,0,0,0,0|3,0,0]=4 230 B13R2.11642 FC1=C2C(=CC(Br)=C1)NN=C2I MC114271 [0,1,0,0,0,0|2,1,0]=4 231 B13R2.11642 FC1=CC(Br)=C2C(=C1)NN=C2I MC114270 [0,1,0,0,0,0|2,1,0]=4 232 B13R2.11642 FC1=CC(F)=C2C(=C1)NN=C2Br CS16447 [0,1,0,0,0,0|2,1,0]=4 233 B13R2.11642 NC1=CC(Cl)=CC2=C1C(I)=NN2 MC114258 [0,1,0,0,0,0|2,0,0]=3 234 B13R2.11642 NC1=CC(F)=C2C(=C1)NN=C2Cl MC104219 [0,1,0,0,0,0|3,0,0]=4 235 B13R2.11642 NC1=CC(F)=C2C(=C1)NN=C2O MC104988 [0,1,0,0,0,0|2,0,0]=3 236 B13R2.11642 NC1=NNC2=CC(Br)=CC(Br)=C21 MC115600 [0,1,0,0,0,0|2,1,0]=4 237 B13R2.11642 O=C1CCC2=CC(Cl)=CC(O)=C12 MC446692 [0,1,0,0,0,0|2,0,1]=4 238 B13R2.11642 O=C1CCC2=CC(Cl)=CC(O)=C12 MC446784 [0,1,0,0,0,0|2,0,1]=4 239 B13R2.11642 OC1=NNC2=CC(F)=CC(Br)=C21 MC115269 [0,1,0,0,0,0|1,1,0]=3 240 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,0,1,0,0,0|2,0,1]=4 241 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,0,1,0,0,0|2,0,1]=4 242 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [0,0,1,0,0,0|2,0,1]=4 243 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [0,0,1,0,0,0|1,0,2]=4 244 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 MC428196 [0,0,1,0,0,0|1,1,0]=3 245 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 MC41822 [0,0,1,0,0,0|1,1,0]=3 246 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,0,1,0,0,0|2,0,1]=4 247 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [0,0,1,0,0,0|1,0,2]=4 248 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [0,0,1,0,0,0|1,1,1]=4 249 B11R1.24 ClC1=CC=CC(OCCBr)=C1 MC433477 [0,0,1,0,0,0|2,0,1]=4 250 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 CS22648 [0,0,1,0,0,0|1,1,1]=4 251 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 MC30022 [0,0,1,0,0,0|1,0,1]=3 252 B11R1.37 COC1=C(C=O)C=CC(Cl)=N1 MC432194 [0,0,1,0,0,0|2,0,1]=4 253 B11R1.37 COC1=C(C=O)C=CC(N)=C1 MC431889 [0,0,1,0,0,0|2,0,1]=4 254 B11R1.37 COC1=C(C=O)C=CC(O)=C1 MC442306 [0,0,1,0,0,0|2,0,1]=4 255 B11R1.37 COC1=C(CN)C=CC(Cl)=C1 MC107633 [0,0,1,0,0,0|2,0,1]=4 256 B11R1.37 COC1=C(CO)C=CC(Br)=C1 MC40687 [0,0,1,0,0,0|1,1,1]=4 257 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 MC443798 [0,0,1,0,0,0|3,0,0]=4 258 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 MC445716 [0,0,1,0,0,0|3,0,0]=4 259 B11R1.37 COC1=CC(F)=CC=C1C=O MC30305 [0,0,1,0,0,0|1,1,1]=4 260 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [0,0,1,0,0,0|2,0,1]=4 261 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [0,0,1,0,0,0|2,0,1]=4 262 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [0,0,1,0,0,0|1,1,1]=4 263 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [0,0,1,0,0,0|1,0,1]=3 264 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [0,0,1,0,0,0|1,1,1]=4 265 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [0,0,1,0,0,0|2,0,1]=4 266 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [0,0,1,0,0,0|2,0,1]=4 267 B11R1.166 CC(O)C1=C(Cl)C=C(Cl)C=C1 MC40730 [0,0,1,0,0,0|2,0,1]=4 268 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=C1 CS10504 [0,0,1,0,0,0|3,0,0]=4 269 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 CS15606 [0,0,1,0,0,0|2,1,0]=4 270 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 CS22749 [0,0,1,0,0,0|2,0,0]=3 271 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 CS14724 [0,0,1,0,0,0|3,0,0]=4 272 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 CS21999 [0,0,1,0,0,0|2,1,0]=4 273 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 CS18188 [0,0,1,0,0,0|3,0,0]=4 274 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 CS12971 [0,0,1,0,0,0|3,0,0]=4 275 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS21362 [0,0,1,0,0,0|3,0,0]=4 276 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [0,0,1,0,0,0|3,0,0]=4 277 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS21449 [0,0,1,0,0,0|3,0,0]=4 278 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [0,0,1,0,0,0|3,0,0]=4 279 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O MC425056 [0,0,1,0,0,0|3,0,0]=4 280 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 CS20842 [0,0,1,0,0,0|3,0,0]=4 281 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [0,0,1,0,0,0|3,0,0]=4 282 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 MC115738 [0,0,1,0,0,0|3,0,0]=4 283 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 CS20948 [0,0,1,0,0,0|2,0,0]=3 284 B11R1.166 CC1=NC=C(C(=O)O)C(O)=C1 CS20333 [0,0,1,0,0,0|3,0,0]=4 285 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 CS14625 [0,0,1,0,0,0|1,0,2]=4 286 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 CS20180 [0,0,1,0,0,0|2,1,0]=4 287 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 CS20207 [0,0,1,0,0,0|2,0,0]=3 288 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 CS14921 [0,0,1,0,0,0|3,0,0]=4 289 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS21809 [0,0,1,0,0,0|2,1,0]=4 290 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 CS21253 [0,0,1,0,0,0|2,1,0]=4 291 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 CS12851 [0,0,1,0,0,0|3,0,0]=4 292 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 CS10414 [0,0,1,0,0,0|3,0,0]=4 293 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O MC429964 [0,0,1,0,0,0|3,0,0]=4 294 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 CS20227 [0,0,1,0,0,0|3,0,0]=4 295 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 CS22593 [0,0,1,0,0,0|2,0,0]=3 296 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS21072 [0,0,1,0,0,0|2,1,0]=4 297 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 CS19824 [0,0,1,0,0,0|2,0,0]=3 298 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 CS21353 [0,0,1,0,0,0|2,1,0]=4 299 B11R1.166 O=C(O)C1=C(Br)C=C(I)C=C1 CS15275 [0,0,1,0,0,0|2,1,0]=4 300 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 CS10220 [0,0,1,0,0,0|2,1,0]=4 301 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 CS14611 [0,0,1,0,0,0|2,0,0]=3 302 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 MC40252 [0,0,1,0,0,0|2,1,0]=4 303 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 CS20109 [0,0,1,0,0,0|3,0,0]=4 304 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 CS21796 [0,0,1,0,0,0|3,0,0]=4 305 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 CS21987 [0,0,1,0,0,0|2,1,0]=4 306 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 MC40253 [0,0,1,0,0,0|2,0,0]=3 307 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 MC40267 [0,0,1,0,0,0|2,1,0]=4 308 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 CS21546 [0,0,1,0,0,0|2,1,0]=4 309 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 CS10370 [0,0,1,0,0,0|3,0,0]=4 310 B11R1.166 O=C(O)C1=C(F)C=C(S)C=C1 MC106336 [0,0,1,0,0,0|3,0,0]=4 311 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 CS17032 [0,0,1,0,0,0|3,0,0]=4 312 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 CS22743 [0,0,1,0,0,0|2,0,0]=3 313 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS14997 [0,0,1,0,0,0|2,1,0]=4 314 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 MC442268 [0,0,1,0,0,0|3,0,0]=4 315 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 MC30324 [0,0,1,0,0,0|1,1,0]=3 316 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 CS14628 [0,0,1,0,0,0|1,0,0]=2 317 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS14175 [0,0,1,0,0,0|1,1,0]=3 318 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 MC33215 [0,0,1,0,0,0|2,0,0]=3 319 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 CS15315 [0,0,1,0,0,0|2,0,0]=3 320 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br MC445336 [0,0,1,0,0,0|3,0,0]=4 321 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl CS15782 [0,0,1,0,0,0|3,0,0]=4 322 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl CS21897 [0,0,1,0,0,0|3,0,0]=4 323 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Cl)C=C1 CS10570 [0,0,1,0,0,0|2,0,1]=4 324 B11R1.166 OB(O)C1=C(Cl)C=C(Cl)C=C1 CS15602 [0,0,1,0,0,0|3,0,0]=4 325 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 MC20270 [0,0,1,0,0,0|3,0,0]=4 326 B11R1.166 OB(O)C1=C(O)C=C(Cl)C=C1 MC442026 [0,0,1,0,0,0|2,0,0]=3 327 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 MC441697 [0,0,1,0,0,0|2,1,0]=4 328 B13R2.3683 BrC1=CC=C2N=C(Br)N=CC2=C1 MC113203 [0,0,0,0,0,1|2,1,0]=4 329 B13R2.3683 BrC1=CC=C2N=C(I)N=CC2=C1 MC442986 [0,0,0,0,0,1|2,1,0]=4 330 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 CS10734 [0,0,0,0,0,1|3,0,0]=4 331 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2C=N1 MC444448 [0,0,0,0,0,1|2,1,0]=4 332 B13R2.3683 ClC1=CC=C2N=C(Cl)C=NC2=C1 MC428045 [0,0,0,0,0,1|3,0,0]=4 333 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=N1 MC425579 [0,0,0,0,0,1|2,1,0]=4 334 B13R2.3683 ClC1=NC=C2N=C(Cl)C=CC2=C1 CS20554 [0,0,0,0,0,1|3,0,0]=4 335 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 MC107029 [0,0,0,0,0,1|2,1,0]=4 336 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=N1 CS12647 [0,0,0,0,0,1|2,1,0]=4 337 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=N1 CS10636 [0,0,0,0,0,1|2,1,0]=4 338 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 CS13992 [0,0,0,0,0,1|2,0,1]=4 339 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 MC445396 [0,0,0,0,0,1|2,0,1]=4 340 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 MC442200 [0,0,0,0,0,1|1,1,1]=4 341 B13R2.3683 O=C1COC2=C(C=CC(Cl)=C2)N1 CS10801 [0,0,0,0,0,1|1,0,1]=3 342 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 MC442458 [0,0,0,0,0,1|1,1,1]=4 343 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 CS15735 [0,0,0,0,0,1|1,1,1]=4 344 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 MC442454 [0,0,0,0,0,1|2,0,1]=4 345 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 MC444421 [0,0,0,0,0,1|1,1,1]=4 346 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 CS13742 [0,0,0,0,0,1|2,1,0]=4 347 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 MC441106 [0,0,0,0,0,1|2,0,0]=3 348 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 MC441035 [0,0,0,0,0,1|2,1,0]=4 349 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 CS10985 [0,0,0,0,0,1|3,0,0]=4 350 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CS15541 [0,0,0,0,0,1|3,0,0]=4 351 B13R2.5179 ClC1=CC=C2C(=C1)C=CN=C2Br MC111222 [0,0,0,0,0,1|2,0,0]=3 352 B13R2.5179 ClC1=CC=C2C(=C1)C=CN=C2Cl CS18402 [0,0,0,0,0,1|2,0,0]=3 353 B13R2.5179 ClC1=CC=C2C(=C1)C=NN=C2Cl MC104024 [0,0,0,0,0,1|2,0,0]=3 354 B13R2.5179 ClC1=CC=C2C(=C1)N=CN=C2Cl CS18868 [0,0,0,0,0,1|2,0,0]=3 355 B13R2.5179 ClC1=CC=C2C(Br)=CC=NC2=C1 CS19437 [0,0,0,0,0,1|3,0,0]=4 356 B13R2.5179 ClC1=CC=C2C(Cl)=CC=NC2=C1 CS21354 [0,0,0,0,0,1|3,0,0]=4 357 B13R2.5179 ClC1=NC=C2C(=C1)C=CN=C2Cl MC102678 [0,0,0,0,0,1|3,0,0]=4 358 B13R2.5179 ClC1=NC=CC2=CC(Br)=CC=C21 CS18144 [0,0,0,0,0,1|2,1,0]=4 359 B13R2.5179 ClC1=NC=NC2=CC(Br)=CC=C21 CS10789 [0,0,0,0,0,1|2,1,0]=4 360 B13R2.5179 ClC1=NN=CC2=CC(Br)=CC=C21 MC102359 [0,0,0,0,0,1|2,1,0]=4 361 B13R2.5179 FC1=CC=C2C(=C1)N=CN=C2Cl MC425620 [0,0,0,0,0,1|2,1,0]=4 362 B13R2.5179 NC1=CC=C2C(=C1)C=CN=C2Cl CS16892 [0,0,0,0,0,1|3,0,0]=4 363 B13R2.5179 NC1=CC=C2C(=C1)C=CN=C2O MC33375 [0,0,0,0,0,1|2,0,0]=3 364 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 MC107756 [0,0,0,0,0,1|3,0,0]=4 365 B13R2.5179 NC1=NC=CC2=CC(Br)=CC=C21 CS17632 [0,0,0,0,0,1|2,1,0]=4 366 B13R2.5179 NC1=NC=CC2=CC(Cl)=CC=C21 MC443742 [0,0,0,0,0,1|2,0,0]=3 367 B13R2.5179 NC1=NC=NC2=CC(Br)=CC=C21 CS14265 [0,0,0,0,0,1|2,1,0]=4 368 B13R2.5179 O=C1C=COC2=CC(Br)=CC=C12 CS16488 [0,0,0,0,0,1|1,1,1]=4 369 B13R2.5179 O=C1CCCC2=CC(Cl)=CC=C12 CS18199 [0,0,0,0,0,1|2,0,1]=4 370 B13R2.5179 O=C1CCOC2=CC(Br)=CC=C12 CS10791 [0,0,0,0,0,1|1,1,1]=4 371 B13R2.5179 O=C1CCOC2=CC(Cl)=CC=C12 CS10805 [0,0,0,0,0,1|1,0,1]=3 372 B13R2.5179 O=C1CCOC2=CC(F)=CC=C12 CS13519 [0,0,0,0,0,1|1,1,1]=4 373 B13R2.5179 O=C1CCOC2=CC(O)=CC=C12 CS22849 [0,0,0,0,0,1|2,0,1]=4 374 B13R2.5179 O=C1N=CNC2=CC(Br)=CC=C12 CS10784 [0,0,0,0,0,1|1,1,1]=4 375 B13R2.5179 O=C1N=CNC2=CC(Cl)=CC=C12 MC425585 [0,0,0,0,0,1|1,0,1]=3 376 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 CS18170 [0,0,0,0,0,1|1,0,2]=4 377 B13R2.5179 O=C1NN=CC2=CC(Br)=CC=C12 CS12793 [0,0,0,0,0,1|1,1,1]=4 378 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl MC111225 [0,0,0,0,0,1|3,0,0]=4 379 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [0,0,0,0,0,1|3,0,0]=4 380 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 MC425086 [0,0,0,0,0,1|3,0,0]=4 381 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS16736 [0,0,0,0,0,1|2,1,0]=4 382 B13R2.5179 OC1=CC=CC2=CC(F)=CC=C12 MC431749 [0,0,0,0,0,1|2,1,0]=4 383 B13R2.5179 OC1=CC=NC2=CC(Br)=CC=C12 CS15357 [0,0,0,0,0,1|2,1,0]=4 384 B13R2.5179 OC1=CC=NC2=CC(F)=CC=C12 MC431988 [0,0,0,0,0,1|2,1,0]=4 385 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,0,1,0,0,0|1,0,1]=4 386 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,0,1,0,0,0|1,0,1]=4 387 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [1,0,1,0,0,0|2,0,0]=4 388 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [1,0,1,0,0,0|2,0,0]=4 389 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [1,0,1,0,0,0|1,0,1]=4 390 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [1,0,1,0,0,0|1,1,0]=4 391 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [1,0,1,0,0,0|1,0,0]=3 392 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [1,0,1,0,0,0|1,1,0]=4 393 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [1,0,1,0,0,0|2,0,0]=4 394 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 CS14439 [1,0,1,0,0,0|2,0,0]=4 395 B10R1.13 NC1=CC=C(B(O)O)C=C1 CS19513 [1,0,1,0,0,0|2,0,0]=4 396 B10R1.13 NC1=CC=C(B(O)O)C=C1 MC442888 [1,0,1,0,0,0|2,0,0]=4 397 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [1,0,1,0,0,0|1,0,1]=4 398 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [1,0,1,0,0,0|0,1,1]=4 399 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [1,0,1,0,0,0|0,0,1]=3 400 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [1,0,1,0,0,0|0,1,1]=4 401 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [1,0,1,0,0,0|0,1,1]=4 402 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,0,1,0,0,0|1,0,1]=4 403 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [1,0,1,0,0,0|1,0,1]=4 404 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [1,0,1,0,0,0|1,0,1]=4 405 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [1,0,1,0,0,0|0,0,2]=4 406 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS19222 [1,0,1,0,0,0|1,1,0]=4 407 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS19227 [1,0,1,0,0,0|1,0,0]=3 408 B10R1.13 OB(O)C1=CC=C(Cl)N=C1 CS17598 [1,0,1,0,0,0|2,0,0]=4 409 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS23000 [1,0,1,0,0,0|1,1,0]=4 410 B10R1.13 OB(O)C1=CC=C(I)C=C1 CS22011 [1,0,1,0,0,0|1,1,0]=4 411 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [1,0,1,0,0,0|2,0,0]=4 412 B10R1.13 OB(O)C1=CC=C(S)C=C1 MC20067 [1,0,1,0,0,0|2,0,0]=4 413 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 CS14803 [1,0,1,0,0,0|2,0,0]=4 414 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,0,1,0,0,0|1,0,1]=4 415 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,0,1,0,0,0|1,0,1]=4 416 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 CS20823 [1,0,1,0,0,0|1,0,1]=4 417 B10R1.25 CC1=CC(O)=C(C=O)C=C1 MC33188 [1,0,1,0,0,0|1,0,1]=4 418 B10R1.25 COC1=C(O)C=C(Cl)C=C1 MC442017 [1,0,1,0,0,0|2,0,0]=4 419 B10R1.25 N#CC1=C(O)C=C(Cl)C=C1 CS14584 [1,0,1,0,0,0|0,0,2]=4 420 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 CS17491 [1,0,1,0,0,0|0,0,2]=4 421 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 CS15142 [1,0,1,0,0,0|1,0,1]=4 422 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 MC33212 [1,0,1,0,0,0|1,0,1]=4 423 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 MC20030 [1,0,1,0,0,0|1,0,1]=4 424 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 CS20081 [1,0,1,0,0,0|0,1,1]=4 425 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 CS20105 [1,0,1,0,0,0|0,0,1]=3 426 B10R1.25 O=CC1=C(O)C=C(F)C=C1 CS20130 [1,0,1,0,0,0|0,1,1]=4 427 B10R1.25 O=CC1=C(O)C=C(I)C=C1 MC425567 [1,0,1,0,0,0|0,1,1]=4 428 B10R1.25 O=CC1=C(O)C=C(O)C=C1 CS19428 [1,0,1,0,0,0|1,0,1]=4 429 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 MC40693 [1,0,1,0,0,0|1,0,1]=4 430 B10R1.25 OCC1=C(O)C=C(Br)C=C1 CS10248 [1,0,1,0,0,0|0,1,1]=4 431 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 CS21371 [1,0,1,0,0,0|2,0,0]=4 432 B10R1.30 COC1=C(C)C=CC(Cl)=C1 MC33132 [1,0,1,0,0,0|1,0,1]=4 433 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 MC33073 [1,0,1,0,0,0|2,0,0]=4 434 B10R1.30 COC1=C(I)C=CC(Cl)=C1 MC20291 [1,0,1,0,0,0|2,0,0]=4 435 B10R1.30 COC1=C(N)C=CC(Cl)=C1 MC30210 [1,0,1,0,0,0|2,0,0]=4 436 B10R1.30 COC1=C(O)C=CC(Br)=C1 CS22682 [1,0,1,0,0,0|1,1,0]=4 437 B10R1.30 COC1=C(O)C=CC(C)=C1 CS16322 [1,0,1,0,0,0|2,0,0]=4 438 B10R1.30 COC1=C(O)C=CC(Cl)=C1 MC41171 [1,0,1,0,0,0|1,0,0]=3 439 B10R1.30 COC1=C(O)C=CC(F)=C1 MC41195 [1,0,1,0,0,0|1,1,0]=4 440 B10R1.30 COC1=C(O)C=CC(I)=C1 MC41200 [1,0,1,0,0,0|1,1,0]=4 441 B10R1.30 COC1=C(O)C=CC(N)=C1 MC41143 [1,0,1,0,0,0|2,0,0]=4 442 B10R1.30 COC1=C(O)C=CC(N)=C1 MC442300 [1,0,1,0,0,0|2,0,0]=4 443 B10R1.30 COC1=C(O)C=CC(O)=C1 MC33205 [1,0,1,0,0,0|2,0,0]=4 444 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 MC30046 [1,0,1,0,0,0|1,0,1]=4 445 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 CS20107 [1,0,1,0,0,0|2,0,0]=4 446 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,0,1,0,0,0|1,0,1]=4 447 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [1,0,1,0,0,0|2,0,0]=4 448 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [1,0,1,0,0,0|0,0,2]=4 449 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [1,0,1,0,0,0|2,0,0]=4 450 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [1,0,1,0,0,0|2,0,0]=4 451 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [1,0,1,0,0,0|2,0,0]=4 452 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [1,0,1,0,0,0|1,0,0]=3 453 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [1,0,1,0,0,0|2,0,0]=4 454 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [1,0,1,0,0,0|1,1,0]=4 455 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [1,0,1,0,0,0|2,0,0]=4 456 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [1,0,1,0,0,0|2,0,0]=4 457 B10R1.61 OB(O)C1=C(O)C=CC=C1 CS21880 [1,0,1,0,0,0|2,0,0]=4 458 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [2,0,0,0,0,0|2,0,0]=4 459 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [2,0,0,0,0,0|1,0,1]=4 460 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [2,0,0,0,0,0|2,0,0]=4 461 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [2,0,0,0,0,0|1,1,0]=4 462 B10R2.7 C1=CC2=C(C=N1)C=NN2 MC442794 [2,0,0,0,0,0|2,0,0]=4 463 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [2,0,0,0,0,0|2,0,0]=4 464 B10R2.7 C1=CC2=CN=CN2C=C1 CS17747 [2,0,0,0,0,0|2,0,0]=4 465 B10R2.7 C1=CC2=NN=CN2C=C1 MC33369 [2,0,0,0,0,0|2,0,0]=4 466 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [2,0,0,0,0,0|2,0,0]=4 467 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [2,0,0,0,0,0|2,0,0]=4 468 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [2,0,0,0,0,0|1,0,0]=3 469 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [2,0,0,0,0,0|1,0,0]=3 470 B10R2.7 C1=CN=C2C=NNC2=C1 MC442331 [2,0,0,0,0,0|2,0,0]=4 471 B10R2.7 C1=CN=C2NN=CC2=C1 CS18202 [2,0,0,0,0,0|2,0,0]=4 472 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [2,0,0,0,0,0|2,0,0]=4 473 B10R2.7 C1=NC=C2NN=CC2=C1 CS17034 [2,0,0,0,0,0|2,0,0]=4 474 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,1,1,0,0,0|1,0,1]=4 475 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,1,1,0,0,0|1,0,1]=4 476 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,1,1,0,0,0|1,0,1]=4 477 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,1,1,0,0,0|2,0,0]=4 478 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [0,1,1,0,0,0|2,0,0]=4 479 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [0,1,1,0,0,0|2,0,0]=4 480 B12R1.57 COC1=C(B(O)O)C=CC(Cl)=C1 MC442036 [0,1,1,0,0,0|2,0,0]=4 481 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 CS22649 [0,1,1,0,0,0|1,1,0]=4 482 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 MC40301 [0,1,1,0,0,0|2,0,0]=4 483 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 CS10785 [0,1,1,0,0,0|1,0,0]=3 484 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 MC441307 [0,1,1,0,0,0|2,0,0]=4 485 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 CS14268 [0,1,1,0,0,0|1,1,0]=4 486 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 MC442318 [0,1,1,0,0,0|2,0,0]=4 487 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O CS10679 [0,1,1,0,0,0|2,0,0]=4 488 B12R1.234 COC1=CC(Cl)=CC(F)=C1C=O MC429617 [0,1,1,0,0,0|1,0,1]=4 489 B12R1.232 CC(=O)C1=C(O)C=C(Cl)C(F)=C1 MC101890 [0,1,1,0,0,0|1,0,1]=4 490 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I MC433697 [0,1,1,0,0,0|2,0,0]=4 491 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 CS15021 [0,1,1,0,0,0|2,0,0]=4 492 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl MC433570 [0,1,1,0,0,0|2,0,0]=4 493 B12R1.232 NC1=CC(Cl)=C(Cl)C=C1C(=O)O MC20250 [0,1,1,0,0,0|2,0,0]=4 494 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=C1 CS19935 [0,1,1,0,0,0|2,0,0]=4 495 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 MC20018 [0,1,1,0,0,0|2,0,0]=4 496 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 CS10290 [0,1,1,0,0,0|2,0,0]=4 497 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 CS14091 [0,1,1,0,0,0|2,0,0]=4 498 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 MC30314 [0,1,1,0,0,0|2,0,0]=4 499 B12R1.232 O=C(O)C1=C(O)C=C(Cl)C(Cl)=C1 MC432263 [0,1,1,0,0,0|1,0,0]=3 500 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1Cl CS12720 [0,1,1,0,0,0|2,0,0]=4 501 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl CS21226 [0,1,1,0,0,0|2,0,0]=4 502 B12R1.893 O=C(O)C1=C(Cl)C(Br)=C(Cl)C=C1 CS17192 [0,1,1,0,0,0|2,0,0]=4 503 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 CS22731 [0,1,1,0,0,0|2,0,0]=4 504 B12R1.893 O=C(O)C1=C(O)C(F)=C(F)C=C1 MC40271 [0,1,1,0,0,0|1,1,0]=4 505 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 MC442962 [0,1,1,0,0,0|1,1,0]=4 506 B12R1.1000 CC1=CC(Cl)=CC(O)=C1B(O)O MC111152 [0,1,1,0,0,0|2,0,0]=4 507 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 MC442209 [0,1,1,0,0,0|2,0,0]=4 508 B12R1.1000 NC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 CS21237 [0,1,1,0,0,0|2,0,0]=4 509 B12R1.1000 O=C(O)C1=C(Br)C=C(Cl)C=C1F MC432416 [0,1,1,0,0,0|2,0,0]=4 510 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Cl MC433135 [0,1,1,0,0,0|2,0,0]=4 511 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1F MC20839 [0,1,1,0,0,0|2,0,0]=4 512 B12R1.1000 O=C(O)C1=C(F)C=C(Cl)C=C1F MC430334 [0,1,1,0,0,0|2,0,0]=4 513 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1O MC116450 [0,1,1,0,0,0|2,0,0]=4 514 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [1,1,0,0,0,0|1,0,0]=3 515 B12R2.1 N#CC1=NNC2=CC=CC=C21 CS18335 [1,1,0,0,0,0|2,0,0]=4 516 B12R2.1 NCC1=NNC2=CC=CC=C21 CS11089 [1,1,0,0,0,0|2,0,0]=4 517 B12R2.1 O=CC1=NNC2=CC=CC=C21 CS20713 [1,1,0,0,0,0|1,0,1]=4 518 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [1,1,0,0,0,0|2,0,0]=4 519 B12R2.1 OCC1=NNC2=CC=CC=C21 MC444218 [1,1,0,0,0,0|1,0,0]=3 520 B12R2.18 CC1=C(O)C2=NC=CC=C2O1 MC427139 [1,1,0,0,0,0|2,0,0]=4 521 B12R2.132 BrC1=CC=C2NN=C(Br)C2=C1 CS21960 [1,1,0,0,0,0|2,0,0]=4 522 B12R2.132 BrC1=CC=C2NN=C(I)C2=C1 MC441886 [1,1,0,0,0,0|2,0,0]=4 523 B12R2.132 CC1=CC2=C(C=C1)ON=C2N CS16622 [1,1,0,0,0,0|1,0,0]=3 524 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 MC441297 [1,1,0,0,0,0|2,0,0]=4 525 B12R2.132 CC1=COC2=C1C=C(F)C=C2 MC427320 [1,1,0,0,0,0|2,0,0]=4 526 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 CS18362 [1,1,0,0,0,0|2,0,0]=4 527 B12R2.132 CC1=NNC2=CC=C(Cl)C=C21 MC441351 [1,1,0,0,0,0|2,0,0]=4 528 B12R2.132 CC1=NNC2=CC=C(F)C=C21 MC441187 [1,1,0,0,0,0|2,0,0]=4 529 B12R2.132 CC1=NNC2=CC=C(I)C=C21 MC441185 [1,1,0,0,0,0|2,0,0]=4 530 B12R2.132 CC1=NNC2=CC=C(N)C=C21 CS22354 [1,1,0,0,0,0|2,0,0]=4 531 B12R2.132 CC1=NNC2=CC=C(O)C=C21 MC441356 [1,1,0,0,0,0|2,0,0]=4 532 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 CS16745 [1,1,0,0,0,0|1,0,0]=3 533 B12R2.132 ClC1=CC=C2NN=C(Br)C2=C1 MC441891 [1,1,0,0,0,0|2,0,0]=4 534 B12R2.132 ClC1=CC=C2NN=C(I)C2=C1 CS18257 [1,1,0,0,0,0|2,0,0]=4 535 B12R2.132 ClC1=NNC2=CC=C(Br)C=C21 MC441885 [1,1,0,0,0,0|2,0,0]=4 536 B12R2.132 FC1=CC2=C(C=C1)ON=C2Cl MC445698 [1,1,0,0,0,0|1,0,0]=3 537 B12R2.132 FC1=CC=C2NN=C(Br)C2=C1 MC441882 [1,1,0,0,0,0|2,0,0]=4 538 B12R2.132 FC1=CC=C2NN=C(I)C2=C1 CS19371 [1,1,0,0,0,0|2,0,0]=4 539 B12R2.132 FC1=NNC2=CC=C(Br)C=C21 MC103182 [1,1,0,0,0,0|2,0,0]=4 540 B12R2.132 IC1=CC=C2NN=C(I)C2=C1 MC114955 [1,1,0,0,0,0|2,0,0]=4 541 B12R2.132 NC1=CC=C2NN=C(Br)C2=C1 CS10213 [1,1,0,0,0,0|2,0,0]=4 542 B12R2.132 NC1=CC=C2NN=C(Cl)C2=C1 MC441896 [1,1,0,0,0,0|2,0,0]=4 543 B12R2.132 NC1=CC=C2NN=C(I)C2=C1 MC444380 [1,1,0,0,0,0|2,0,0]=4 544 B12R2.132 NC1=NNC2=CC=C(Br)C=C21 MC425722 [1,1,0,0,0,0|2,0,0]=4 545 B12R2.132 NC1=NNC2=CC=C(Cl)C=C21 CS13250 [1,1,0,0,0,0|2,0,0]=4 546 B12R2.132 NC1=NNC2=CC=C(F)C=C21 MC441373 [1,1,0,0,0,0|2,0,0]=4 547 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 CS18317 [1,1,0,0,0,0|1,0,0]=3 548 B12R2.132 NC1=NSC2=C1C=C(Br)C=C2 CS13228 [1,1,0,0,0,0|1,1,0]=4 549 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [1,1,0,0,0,0|1,0,1]=4 550 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [1,1,0,0,0,0|1,0,1]=4 551 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [1,1,0,0,0,0|1,0,1]=4 552 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [1,1,0,0,0,0|1,0,1]=4 553 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 CS15251 [1,1,0,0,0,0|0,0,2]=4 554 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 MC427277 [1,1,0,0,0,0|0,0,2]=4 555 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 CS16834 [1,1,0,0,0,0|0,0,2]=4 556 B12R2.132 OC1=NNC2=CC=C(Br)C=C21 CS10286 [1,1,0,0,0,0|1,0,0]=3 557 B12R2.132 On1nnc2ccc(Cl)cc21 MC439143 [1,1,0,0,0,0|2,0,0]=4 558 B12R2.196 BrC1=C2NN=C(I)C2=CC=C1 MC444449 [1,1,0,0,0,0|2,0,0]=4 559 B12R2.196 CC1=COC2=C1C=CC=C2Br MC441289 [1,1,0,0,0,0|2,0,0]=4 560 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 MC441182 [1,1,0,0,0,0|2,0,0]=4 561 B12R2.196 CC1=NNC2=C(F)C=CC=C12 MC441181 [1,1,0,0,0,0|2,0,0]=4 562 B12R2.196 CC1=NNC2=C(N)C=CC=C12 MC441785 [1,1,0,0,0,0|2,0,0]=4 563 B12R2.196 ClC1=C2NN=C(Br)C2=CC=C1 MC441892 [1,1,0,0,0,0|2,0,0]=4 564 B12R2.196 ClC1=C2NN=C(I)C2=CC=C1 MC441893 [1,1,0,0,0,0|2,0,0]=4 565 B12R2.196 ClC1=NNC2=C(Br)C=CC=C12 MC441883 [1,1,0,0,0,0|2,0,0]=4 566 B12R2.196 FC1=C2NN=C(Br)C2=CC=C1 CS13353 [1,1,0,0,0,0|2,0,0]=4 567 B12R2.196 FC1=C2NN=C(I)C2=CC=C1 MC441880 [1,1,0,0,0,0|2,0,0]=4 568 B12R2.196 NC1=C2NN=C(Cl)C2=CC=C1 MC444256 [1,1,0,0,0,0|2,0,0]=4 569 B12R2.196 NC1=C2NN=C(I)C2=CC=C1 MC444439 [1,1,0,0,0,0|2,0,0]=4 570 B12R2.196 NC1=NNC2=C(Br)C=CC=C12 MC441374 [1,1,0,0,0,0|2,0,0]=4 571 B12R2.196 NC1=NOC2=C1C=CC=C2F MC430947 [1,1,0,0,0,0|1,0,0]=3 572 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [1,1,0,0,0,0|1,0,1]=4 573 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [1,1,0,0,0,0|1,0,1]=4 574 B12R2.203 BrC1=C2C(=CC=C1)NN=C2I MC441887 [1,1,0,0,0,0|2,0,0]=4 575 B12R2.203 CC1=NNC2=C1C(N)=CC=C2 MC441202 [1,1,0,0,0,0|2,0,0]=4 576 B12R2.203 CC1=NNC2=C1C(O)=CC=C2 MC441352 [1,1,0,0,0,0|2,0,0]=4 577 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 CS16636 [1,1,0,0,0,0|2,0,0]=4 578 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 MC100876 [1,1,0,0,0,0|2,0,0]=4 579 B12R2.203 CC1=NNC2=CC=CC(F)=C21 MC441186 [1,1,0,0,0,0|2,0,0]=4 580 B12R2.203 ClC1=C2C(=CC=C1)NN=C2Br MC441889 [1,1,0,0,0,0|2,0,0]=4 581 B12R2.203 ClC1=C2C(=CC=C1)NN=C2I MC441890 [1,1,0,0,0,0|2,0,0]=4 582 B12R2.203 ClC1=NNC2=CC=CC(Br)=C21 MC441888 [1,1,0,0,0,0|2,0,0]=4 583 B12R2.203 FC1=C2C(=CC=C1)NN=C2Br CS16108 [1,1,0,0,0,0|2,0,0]=4 584 B12R2.203 FC1=C2C(=CC=C1)NN=C2I CS19104 [1,1,0,0,0,0|2,0,0]=4 585 B12R2.203 NC1=C2C(=CC=C1)NN=C2I MC444315 [1,1,0,0,0,0|2,0,0]=4 586 B12R2.203 NC1=CC=CC2=C1C(Br)=NN2 CS16904 [1,1,0,0,0,0|2,0,0]=4 587 B12R2.203 NC1=NNC2=CC=CC(Br)=C21 CS22064 [1,1,0,0,0,0|2,0,0]=4 588 B12R2.203 NC1=NNC2=CC=CC(Cl)=C21 CS12860 [1,1,0,0,0,0|2,0,0]=4 589 B12R2.203 NC1=NNC2=CC=CC(F)=C21 MC33230 [1,1,0,0,0,0|2,0,0]=4 590 B12R2.203 NC1=NNC2=CC=CC(I)=C21 MC441377 [1,1,0,0,0,0|2,0,0]=4 591 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [1,1,0,0,0,0|1,0,1]=4 592 B12R2.203 OC1=NNC2=CC=CC(Br)=C21 MC105625 [1,1,0,0,0,0|1,0,0]=3 593 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [1,1,0,0,0,0|2,0,0]=4 594 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [1,1,0,0,0,0|2,0,0]=4 595 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 MC441160 [1,1,0,0,0,0|2,0,0]=4 596 B12R2.44 N#CC1=CC=C2C=NNC2=C1 MC444141 [1,1,0,0,0,0|2,0,0]=4 597 B12R2.44 NCC1=CC=C2C=NNC2=C1 MC444408 [1,1,0,0,0,0|2,0,0]=4 598 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [1,1,0,0,0,0|2,0,0]=4 599 B12R2.44 O=CC1=CC=C2C=NNC2=C1 MC444140 [1,1,0,0,0,0|2,0,0]=4 600 B12R2.82 CC1=CC=C2C=NNC2=C1Br MC443355 [1,1,0,0,0,0|2,0,0]=4 601 B12R2.82 ClC1=C(Br)C=CC2=C1OC=C2 MC441282 [1,1,0,0,0,0|1,1,0]=4 602 B12R2.82 ClC1=CC=C2C=NNC2=C1Cl MC441193 [1,1,0,0,0,0|1,0,0]=3 603 B12R2.82 ClC1=CC=C2NN=CC2=C1Br MC441201 [1,1,0,0,0,0|2,0,0]=4 604 B12R2.82 FC1=C(Br)C2=C(C=CO2)C=C1 MC441156 [1,1,0,0,0,0|1,1,0]=4 605 B12R2.82 FC1=C(Br)C=CC2=C1OC=C2 MC441284 [1,1,0,0,0,0|1,1,0]=4 606 B12R2.82 FC1=CC=C2C=NNC2=C1F MC443477 [1,1,0,0,0,0|1,1,0]=4 607 B12R2.82 NC1=CC=C2C=NNC2=C1Cl MC441192 [1,1,0,0,0,0|2,0,0]=4 608 B12R2.100 CC1=C(Br)C=C2C=NNC2=C1 CS10294 [1,1,0,0,0,0|2,0,0]=4 609 B12R2.100 CC1=C(O)C=C2C=NNC2=C1 MC427384 [1,1,0,0,0,0|2,0,0]=4 610 B12R2.100 ClC1=C(Br)C=C2C=CNC2=C1 CS16116 [1,1,0,0,0,0|2,0,0]=4 611 B12R2.100 ClC1=C(Br)C=C2C=NNC2=C1 MC425700 [1,1,0,0,0,0|1,0,0]=3 612 B12R2.100 ClC1=C(Br)C=C2NN=CC2=C1 CS17929 [1,1,0,0,0,0|1,1,0]=4 613 B12R2.100 ClC1=C(Cl)C=C2NC=CC2=C1 CS12279 [1,1,0,0,0,0|2,0,0]=4 614 B12R2.100 ClC1=C(Cl)C=C2NN=CC2=C1 MC103968 [1,1,0,0,0,0|1,0,0]=3 615 B12R2.100 ClC1=CC2=C(C=C1Br)OCO2 CS16791 [1,1,0,0,0,0|2,0,0]=4 616 B12R2.100 FC1=C(Br)C=C2NN=CC2=C1 MC20850 [1,1,0,0,0,0|1,1,0]=4 617 B12R2.100 FC1=C(Cl)C=C2NN=CC2=C1 MC113005 [1,1,0,0,0,0|1,0,0]=3 618 B12R2.100 NC1=C(Br)C=C2NN=CC2=C1 MC444412 [1,1,0,0,0,0|1,1,0]=4 619 B12R2.100 NC1=C(Cl)C=C2NN=CC2=C1 MC444422 [1,1,0,0,0,0|1,0,0]=3 620 B12R2.100 NC1=C(F)C=C2NN=CC2=C1 MC115894 [1,1,0,0,0,0|1,1,0]=4 621 B12R2.100 NC1=C(N)C=C2NN=CC2=C1 MC111231 [1,1,0,0,0,0|2,0,0]=4 622 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 MC105155 [1,1,0,0,0,0|2,0,0]=4 623 B12R2.100 OC1=C(Cl)C=C2NN=CC2=C1 MC102171 [1,1,0,0,0,0|1,0,0]=3 624 B12R2.100 OC1=C(F)C=C2C=NNC2=C1 MC432082 [1,1,0,0,0,0|2,0,0]=4 625 B12R2.246 BrC1=CC(I)=C2C=NNC2=C1 MC104287 [1,1,0,0,0,0|1,1,0]=4 626 B12R2.246 CC1=C2C=NNC2=NC(Cl)=C1 MC110820 [1,1,0,0,0,0|2,0,0]=4 627 B12R2.246 CC1=CC(C)=C2C=NNC2=C1 MC107022 [1,1,0,0,0,0|2,0,0]=4 628 B12R2.246 ClC1=C2C=NNC2=CC(Br)=C1 CS10642 [1,1,0,0,0,0|1,1,0]=4 629 B12R2.246 ClC1=CC(Br)=C2C=NNC2=C1 CS22666 [1,1,0,0,0,0|1,0,0]=3 630 B12R2.246 ClC1=CC(Br)=C2NN=CC2=C1 MC441341 [1,1,0,0,0,0|2,0,0]=4 631 B12R2.246 ClC1=CC(Cl)=C2NN=CC2=C1 MC107023 [1,1,0,0,0,0|2,0,0]=4 632 B12R2.246 ClC1=CC(I)=C2C=NNC2=C1 CS15220 [1,1,0,0,0,0|1,0,0]=3 633 B12R2.246 ClC1=CC2=C(C=CO2)C(Cl)=C1 MC443313 [1,1,0,0,0,0|1,0,0]=3 634 B12R2.246 ClC1=CC2=C(C=NN2)C(Cl)=N1 MC100886 [1,1,0,0,0,0|2,0,0]=4 635 B12R2.246 ClC1=NC(Cl)=C2C=NOC2=N1 MC114033 [1,1,0,0,0,0|2,0,0]=4 636 B12R2.246 FC1=C2C=NNC2=CC(Br)=C1 CS10644 [1,1,0,0,0,0|1,1,0]=4 637 B12R2.246 FC1=C2C=NNC2=CC(I)=C1 MC432092 [1,1,0,0,0,0|1,1,0]=4 638 B12R2.246 FC1=CC(Br)=C2C=NNC2=C1 MC429570 [1,1,0,0,0,0|1,1,0]=4 639 B12R2.246 FC1=CC(F)=C2C=NNC2=C1 MC107255 [1,1,0,0,0,0|1,1,0]=4 640 B12R2.246 NC1=C2C=NNC2=CC(Br)=C1 MC105017 [1,1,0,0,0,0|1,1,0]=4 641 B12R2.246 NC1=C2C=NNC2=CC(Cl)=C1 MC107264 [1,1,0,0,0,0|1,0,0]=3 642 B12R2.246 NC1=C2C=NNC2=CC(I)=C1 MC105026 [1,1,0,0,0,0|1,1,0]=4 643 B12R2.246 NC1=CC(Br)=C2C=NNC2=C1 MC105018 [1,1,0,0,0,0|2,0,0]=4 644 B12R2.246 NC1=CC(Cl)=C2C=NNC2=C1 CS10606 [1,1,0,0,0,0|2,0,0]=4 645 B12R2.246 NC1=CC(Cl)=CC2=C1C=CN2 CS22575 [1,1,0,0,0,0|2,0,0]=4 646 B12R2.246 NC1=CC(F)=C2C=NNC2=C1 MC103477 [1,1,0,0,0,0|2,0,0]=4 647 B12R2.246 NC1=CC(I)=C2C=NNC2=C1 MC105027 [1,1,0,0,0,0|2,0,0]=4 648 B12R2.246 OC1=C2C=NNC2=CC(Br)=C1 MC105023 [1,1,0,0,0,0|1,1,0]=4 649 B12R2.246 OC1=CC(Br)=C2C=NNC2=C1 MC105024 [1,1,0,0,0,0|2,0,0]=4 650 B12R2.246 OC1=CC(Cl)=CC2=C1C=NN2 MC441200 [1,1,0,0,0,0|1,0,0]=3 651 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [1,1,0,0,0,0|2,0,0]=4 652 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 CS12813 [1,1,0,0,0,0|2,0,0]=4 653 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [1,1,0,0,0,0|2,0,0]=4 654 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [1,1,0,0,0,0|2,0,0]=4 655 B14R2.8235 CC1=NC(=O)C2=CC(Cl)=CC=C2N1 CS10497 [0,1,0,0,0,1|2,0,0]=4 656 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(Cl)=N1 CS22504 [0,1,0,0,0,1|2,0,0]=4 657 B14R2.8235 NC1=NC2=C(C=C(Cl)C=C2)[N+]([O-])=N1 MC113832 [0,1,0,0,0,1|2,0,0]=4 658 B14R2.8235 O=C1N=CC2=CC(Cl)=CC(Br)=C2N1 MC106891 [0,1,0,0,0,1|1,0,1]=4 659 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O CS10664 [0,1,0,0,0,1|2,0,0]=4 660 B14R2.1073 COC1=NC=CC2=CC(N)=CC=C21 MC116284 [0,1,0,0,0,1|2,0,0]=4 661 B14R2.8751 OC1=NN=C(O)C2=CC(Br)=CC=C21 CS14738 [0,1,0,0,0,1|1,1,0]=4 662 B14R2.29365 CC1=NC2=CC(Cl)=CC=C2C(Cl)=N1 CS11927 [0,1,0,0,0,1|2,0,0]=4 663 B14R2.29365 ClC1=CC=C2C(=C1)N=C(Cl)N=C2Cl CS21063 [0,1,0,0,0,1|2,0,0]=4 664 B14R2.29365 NC1=NC(Cl)=NC2=CC(Cl)=CC=C21 MC115289 [0,1,0,0,0,1|2,0,0]=4 665 B14R2.29365 NC1=NC2=CC(Br)=CC=C2C(O)=N1 MC442488 [0,1,0,0,0,1|1,1,0]=4 666 B14R2.300 O=C(O)C1=CNC2=CC(Cl)=CC=C21 CS10690 [0,2,0,0,0,0|2,0,0]=4 667 B14R2.300 O=C(O)C1=NNC2=CC(Br)=CC=C21 MC444413 [0,2,0,0,0,0|1,1,0]=4 668 B14R2.300 O=C(O)C1=NNC2=CC(Cl)=CC=C21 CS17928 [0,2,0,0,0,0|1,0,0]=3 669 B14R2.300 O=C(O)C1=NOC2=C1C=CC(Cl)=C2 MC113257 [0,2,0,0,0,0|0,0,0]=2 670 B14R2.12145 N#CC1=NNC2=CC(Cl)=C(Cl)C=C21 MC114089 [0,2,0,0,0,0|2,0,0]=4 671 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 CS21420 [0,0,1,1,0,0|2,0,0]=4 672 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS19112 [0,0,1,0,0,1|2,0,0]=4 673 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS10717 [0,0,1,0,0,1|2,0,0]=4 674 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 MC40156 [0,0,1,0,0,1|2,0,0]=4 675 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [0,0,1,0,0,1|1,1,0]=4