0 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 CS22136 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.18 CC1=C(I)C2=CC=CN=C2N1 MC102012 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CC1=C(N)N2C=CC=CC2=N1 CS21690 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CC1=C(O)C2=NC=CC=C2O1 MC427139 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.18 CN1C(=O)NC2=CC=CN=C21 MC427257 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.18 CN1N=C2C=CC=CC2=C1Br MC104938 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.18 NC1=C(Br)N=C2C=CC=CN21 MC106323 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.18 OC1=NN2C=CC=CC2=C1Br MC103122 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.1 BrC1=C2C=CC=CN2N=C1 CS17352 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 BrC1=CN=C2C=CC=CN12 MC442520 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 BrC1=CNC2=CC=CN=C12 CS13195 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 BrC1=CNC2=CN=CC=C12 CS18417 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 BrC1=CNC2=NC=CC=C12 MC427497 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [1,0,0,0,0,0|1,0,0]=2 20 B11R2.1 BrC1=CSC2=C1C=NC=C2 MC106813 [1,0,0,0,0,0|2,1,0]=4 21 B11R2.1 BrC1=CSC2=CC=CN=C12 MC103962 [1,0,0,0,0,0|2,1,0]=4 22 B11R2.1 BrC1=CSC2=NC=CC=C12 CS15651 [1,0,0,0,0,0|2,1,0]=4 23 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,0,0,0|1,0,0]=2 25 B11R2.1 CC1=CNC2=C1C=NC=C2 MC443768 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 CC1=CNC2=C1C=NC=N2 CS17951 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.1 CC1=CNC2=NC=CC=C12 CS22368 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,0,0,0,0,0|0,0,0]=1 30 B11R2.1 CC1=NNC2=C1C=NC=C2 MC441394 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.1 CC1=NNC2=CC=CN=C21 MC442333 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 CC1=NNC2=CN=CC=C21 CS15158 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 CC1=NNC2=NC=CC=C12 CS20725 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [1,0,0,0,0,0|1,0,0]=2 36 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.1 CN1C=CC2=CC=CN=C21 CS20755 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.1 CN1C=NC2=NC=CC=C21 MC105725 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [1,0,0,0,0,0|1,0,0]=2 41 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [1,0,0,0,0,0|2,0,0]=3 42 B11R2.1 IC1=CNC2=C1C=NC=C2 CS22326 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.1 IC1=CNC2=CC=CN=C12 CS15332 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.1 IC1=CNC2=CN=CC=C12 CS15083 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.1 IC1=CNC2=NC=CC=C12 MC444281 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [1,0,0,0,0,0|1,1,0]=3 47 B11R2.1 NC1=CNC2=C1C=NC=C2 MC111232 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.1 NC1=CNC2=C1C=NC=C2 MC111865 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.1 NC1=CNC2=CC=CN=C12 MC102979 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [1,0,0,0,0,0|1,1,0]=3 51 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [1,0,0,0,0,0|2,0,0]=3 53 B11R2.1 NC1=NOC2=CC=CN=C21 CS12630 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [1,0,0,0,0,0|2,1,0]=4 55 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [1,0,0,0,0,0|1,0,1]=3 58 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [1,0,0,0,0,0|2,0,1]=4 59 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [1,0,0,0,0,0|2,0,1]=4 60 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [1,0,0,0,0,0|1,1,1]=4 61 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [1,0,0,0,0,0|2,1,0]=4 64 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [1,0,0,0,0,0|2,1,0]=4 66 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [1,0,0,0,0,0|2,0,0]=3 68 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [1,0,0,0,0,0|2,0,0]=3 69 B11R2.10 BrC1=CN2C=CC=CC2=N1 CS12525 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 MC442524 [1,0,0,0,0,0|2,0,0]=3 72 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 CS14031 [1,0,0,0,0,0|2,1,0]=4 73 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [1,0,0,0,0,0|2,0,0]=3 74 B11R2.10 CC1=CC2=C(N=CN=C2)N1 MC444432 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [1,0,0,0,0,0|1,0,0]=2 76 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [1,0,0,0,0,0|1,0,0]=2 77 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [1,0,0,0,0,0|2,0,0]=3 78 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [1,0,0,0,0,0|2,0,0]=3 79 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [1,0,0,0,0,0|2,0,0]=3 80 B11R2.10 CC1=CN2C=CC=CC2=N1 CS21691 [1,0,0,0,0,0|2,0,0]=3 81 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [1,0,0,0,0,0|2,0,0]=3 82 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [1,0,0,0,0,0|1,0,0]=2 83 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [1,0,0,0,0,0|1,1,0]=3 84 B11R2.10 CC1=NC2=NC=CC=C2N1 CS21659 [1,0,0,0,0,0|3,0,0]=4 85 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [1,0,0,0,0,0|2,0,0]=3 86 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [1,0,0,0,0,0|1,0,2]=4 87 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [1,0,0,0,0,0|1,0,2]=4 88 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [1,0,0,0,0,0|2,0,0]=3 89 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [1,0,0,0,0,0|3,0,0]=4 90 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 MC31172 [1,0,0,0,0,0|2,0,0]=3 91 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 CS20002 [1,0,0,0,0,0|2,1,0]=4 92 B11R2.10 ClC1=NC2=CC=CN=C2O1 MC442529 [1,0,0,0,0,0|3,0,0]=4 93 B11R2.10 ClC1=NC2=NC=CC=C2O1 MC115944 [1,0,0,0,0,0|3,0,0]=4 94 B11R2.10 ClC1=NN2C=CC=CC2=C1 CS17263 [1,0,0,0,0,0|3,0,0]=4 95 B11R2.10 IC1=CC2=CC=CN=C2N1 CS15616 [1,0,0,0,0,0|3,0,0]=4 96 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [1,0,0,0,0,0|1,1,0]=3 97 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [1,0,0,0,0,0|3,0,0]=4 98 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [1,0,0,0,0,0|2,0,0]=3 99 B11R2.10 NC1=NC2=C(C=CC=C2)S1 MC41744 [1,0,0,0,0,0|2,1,0]=4 100 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS16592 [1,0,0,0,0,0|3,0,0]=4 101 B11R2.10 NC1=NC2=C(C=NC=C2)O1 MC443260 [1,0,0,0,0,0|3,0,0]=4 102 B11R2.10 NC1=NC2=CC=CN=C2O1 MC113797 [1,0,0,0,0,0|3,0,0]=4 103 B11R2.10 NC1=NC2=CC=CN=C2O1 MC442528 [1,0,0,0,0,0|3,0,0]=4 104 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [1,0,0,0,0,0|1,0,1]=3 105 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [1,0,0,0,0,0|2,0,1]=4 106 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [1,0,0,0,0,0|2,0,1]=4 107 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [1,0,0,0,0,0|2,0,1]=4 108 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [1,0,0,0,0,0|2,0,0]=3 109 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [1,0,0,0,0,0|3,0,0]=4 110 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [1,0,0,0,0,0|2,0,0]=3 111 B11R2.10 OC1=CN2C=CC=CC2=N1 CS15598 [1,0,0,0,0,0|3,0,0]=4 112 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [1,0,0,0,0,0|3,0,0]=4 113 B11R2.10 OC1=NN2C=CC=CC2=C1 MC106909 [1,0,0,0,0,0|3,0,0]=4 114 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [1,0,0,0,0,0|3,0,0]=4 115 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [1,0,0,0,0,0|2,0,0]=3 116 B13R2.45 CC1=C(C#N)SC2=C1C=CC=C2 CS12840 [0,1,0,0,0,0|0,1,1]=3 117 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 MC33348 [0,1,0,0,0,0|2,0,1]=4 118 B13R2.45 CN1C(CBr)=NC2=C1C=CC=C2 CS13411 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 MC425400 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.45 N#CC1=C(O)C2=C(C=CC=C2)S1 MC118157 [0,1,0,0,0,0|1,1,1]=4 121 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 CS10068 [0,1,0,0,0,0|1,0,1]=3 122 B13R2.135 CC1=C(C=O)C2=CC=CN=C2N1 CS14361 [0,1,0,0,0,0|2,0,1]=4 123 B13R2.135 CC1=C(C=O)N2C=CC=CC2=N1 MC441097 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 MC443450 [0,1,0,0,0,0|1,1,1]=4 125 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 MC425452 [0,1,0,0,0,0|2,0,1]=4 126 B13R2.359 CC1=Nc2ccccc2C1(C)C MC445122 [0,1,0,0,0,0|1,0,1]=3 127 B13R2.3028 CC1=C(C)C2=CC(Br)=CN=C2N1 MC111359 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.3028 CC1=C(C)N2C=C(Br)C=CC2=N1 MC441098 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CS10988 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS14604 [0,1,0,0,0,0|2,0,1]=4 131 B13R2.3028 CC1Cc2ccc(F)cc2C1=O MC30019 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.3028 CN1C(=O)NC2=C1C=C(N)C=C2 MC431669 [0,1,0,0,0,0|3,0,0]=4 133 B13R2.3028 CN1C(I)=CC2=CC=C(Cl)C=C21 MC114570 [0,1,0,0,0,0|3,0,0]=4 134 B13R2.3028 CN1CC2=CC=C(N)C=C2C1=O MC446650 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O CS22039 [0,1,0,0,0,0|3,0,0]=4 136 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O CS10615 [0,1,0,0,0,0|3,0,0]=4 137 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O CS22060 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.3085 CC1=C(I)N(C)C2=CC=CC=C21 MC114572 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 CS16681 [0,1,0,0,0,0|1,0,0]=2 140 B13R2.4825 CC1=C2C=CC=C(Br)C2=NN1C MC101935 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.4825 CN1CC2=C(N)C=CC=C2C1=O MC103468 [0,1,0,0,0,0|3,0,0]=4 142 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O CS13925 [0,1,0,0,0,0|3,0,0]=4 143 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O CS20590 [0,1,0,0,0,0|3,0,0]=4 144 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O CS10646 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.4856 CN1CC2=CC=CC(N)=C2C1=O MC104799 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O CS13924 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O CS22789 [0,1,0,0,0,0|3,0,0]=4 148 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS22839 [0,1,0,0,0,0|3,0,0]=4 149 B13R2.5190 CC1=C2C=CC(I)=CC2=NN1C MC101930 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C MC42307 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C MC42308 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.5190 CC1=CC2=NC(C)=C(Br)N2C=C1 MC102729 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 MC111737 [0,1,0,0,0,0|2,0,1]=4 154 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O MC446699 [0,1,0,0,0,0|2,0,1]=4 155 B13R2.5190 CN1CC2=CC(Br)=CC=C2C1=O CS12956 [0,1,0,0,0,0|3,0,0]=4 156 B13R2.5190 CN1CC2=CC(N)=CC=C2C1=O MC112990 [0,1,0,0,0,0|3,0,0]=4 157 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O CS15400 [0,1,0,0,0,0|3,0,0]=4 158 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O CS10616 [0,1,0,0,0,0|3,0,0]=4 159 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O CS10704 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,0,1,0,0,0|1,0,1]=3 161 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,0,1,0,0,0|2,0,1]=4 162 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,0,1,0,0,0|1,0,1]=3 163 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,0,1,0,0,0|1,0,1]=3 164 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [0,0,1,0,0,0|2,1,0]=4 165 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,0,1,0,0,0|2,0,1]=4 166 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,0,1,0,0,0|2,0,1]=4 167 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,0,1,0,0,0|2,0,1]=4 168 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,0,1,0,0,0|2,0,1]=4 169 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,0,1,0,0,0|2,0,1]=4 170 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,0,1,0,0,0|2,0,1]=4 171 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,0,1,0,0,0|2,0,1]=4 172 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,1,0,0,0|2,0,1]=4 173 B11R1.41 CCOC1=C(C#N)C=CC=C1 MC33181 [0,0,1,0,0,0|1,0,2]=4 174 B11R1.41 CCOC1=C(OC)C=CC=C1 MC433385 [0,0,1,0,0,0|1,0,1]=3 175 B11R1.41 CCOC1=CC=NC=C1C=O MC443446 [0,0,1,0,0,0|2,0,1]=4 176 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,0,1,0,0,0|2,0,1]=4 177 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,0,1,0,0,0|2,0,1]=4 178 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [0,0,1,0,0,0|1,0,2]=4 179 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,0,1,0,0,0|3,0,0]=4 180 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,0,1,0,0,0|2,1,0]=4 181 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,0,1,0,0,0|3,0,0]=4 182 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,0,1,0,0,0|3,0,0]=4 183 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,0,1,0,0,0|3,0,0]=4 184 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,0,1,0,0,0|3,0,0]=4 185 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [0,0,1,0,0,0|3,0,0]=4 186 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,0,1,0,0,0|2,1,0]=4 187 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [0,0,1,0,0,0|3,0,0]=4 188 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 CS11942 [0,0,1,0,0,0|3,0,0]=4 190 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 MC418479 [0,0,0,0,0,1|3,0,0]=4 191 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 CS14781 [0,0,0,0,0,1|3,0,0]=4 192 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 MC100339 [0,0,0,0,0,1|2,0,0]=3 193 B13R2.32 CC1=C(O)C2=CC=CC=C2C=C1 CS11396 [0,0,0,0,0,1|2,0,0]=3 194 B13R2.32 CC1=C2N=CC=CC2=CC=C1Br CS16280 [0,0,0,0,0,1|3,0,0]=4 195 B13R2.32 CN1C=CC2=CC=CC=C2C1=O CS16983 [0,0,0,0,0,1|3,0,0]=4 196 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 MC443371 [0,0,0,0,0,1|3,0,0]=4 197 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 MC442467 [0,0,0,0,0,1|3,0,0]=4 198 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 CS18266 [0,0,0,0,0,1|3,0,0]=4 199 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 CS12478 [0,0,0,0,0,1|3,0,0]=4 200 B13R2.32 NC1=C(I)C2=CC=CC=C2C=C1 MC432564 [0,0,0,0,0,1|3,0,0]=4 201 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 MC111623 [0,0,0,0,0,1|3,0,0]=4 202 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS20594 [0,0,0,0,0,1|3,0,0]=4 203 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS11263 [0,0,0,0,0,1|3,0,0]=4 204 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 MC443143 [0,0,0,0,0,1|3,0,0]=4 205 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 CS17705 [0,0,0,0,0,1|3,0,0]=4 206 B13R2.328 BrC1=CC(I)=CC2=CC=CC=C12 MC431929 [0,0,0,0,0,1|3,0,0]=4 207 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 CS12194 [0,0,0,0,0,1|3,0,0]=4 208 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 MC431970 [0,0,0,0,0,1|2,0,0]=3 209 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 MC440080 [0,0,0,0,0,1|2,0,0]=3 210 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 MC115947 [0,0,0,0,0,1|3,0,0]=4 211 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS10067 [0,0,0,0,0,1|2,0,0]=3 212 B13R2.328 CC1=CC2=CC=CC=C2C(=O)N1 MC33415 [0,0,0,0,0,1|2,0,0]=3 213 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 CS17170 [0,0,0,0,0,1|2,0,0]=3 214 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 MC33405 [0,0,0,0,0,1|2,0,0]=3 215 B13R2.328 CC1=NC(Cl)=NC2=CC=CC=C21 CS21451 [0,0,0,0,0,1|2,0,0]=3 216 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 CS21531 [0,0,0,0,0,1|2,0,0]=3 217 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 CS22654 [0,0,0,0,0,1|2,0,0]=3 218 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 MC113274 [0,0,0,0,0,1|1,0,0]=2 219 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=N1 CS12359 [0,0,0,0,0,1|2,0,0]=3 220 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [0,0,0,0,0,1|3,0,0]=4 221 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 CS10935 [0,0,0,0,0,1|3,0,0]=4 222 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 MC10229 [0,0,0,0,0,1|3,0,0]=4 223 B13R2.328 ClC1=NC2=CC=CC=C2C(Cl)=N1 CS19961 [0,0,0,0,0,1|3,0,0]=4 224 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS22591 [0,0,0,0,0,1|3,0,0]=4 225 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 MC442263 [0,0,0,0,0,1|3,0,0]=4 226 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 CS22546 [0,0,0,0,0,1|3,0,0]=4 227 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 CS17133 [0,0,0,0,0,1|3,0,0]=4 228 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 MC441080 [0,0,0,0,0,1|3,0,0]=4 229 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 CS21246 [0,0,0,0,0,1|3,0,0]=4 230 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 MC442487 [0,0,0,0,0,1|3,0,0]=4 231 B13R2.328 NC1=NC2=CC=CC=C2C(O)=N1 MC442491 [0,0,0,0,0,1|3,0,0]=4 232 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,0,0,0,0,1|3,0,0]=4 233 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [0,0,0,0,0,1|2,0,0]=3 234 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [0,0,0,0,0,1|3,0,0]=4 235 B13R2.328 O=C1NC(Cl)=NC2=CC=CC=C12 CS15421 [0,0,0,0,0,1|3,0,0]=4 236 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,0,0,0,0,1|3,0,0]=4 237 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 CS21445 [0,0,0,0,0,1|3,0,0]=4 238 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [0,0,0,0,0,1|3,0,0]=4 239 B13R2.369 BrC1=NC2=CC=CC=C2N=C1Br MC425763 [0,0,0,0,0,1|3,0,0]=4 240 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [0,0,0,0,0,1|3,0,0]=4 241 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS15838 [0,0,0,0,0,1|3,0,0]=4 242 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl MC434068 [0,0,0,0,0,1|3,0,0]=4 243 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,0,1,0,0,0|1,0,1]=4 245 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,0,1,0,0,0|0,0,2]=4 247 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,0,1,0,0,0|0,0,2]=4 248 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,0,1,0,0,0|1,0,1]=4 249 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,0,1,0,0,0|2,0,0]=4 250 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [1,0,1,0,0,0|2,0,0]=4 251 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,0,1,0,0,0|2,0,0]=4 252 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,1,0,0,0|1,0,1]=4 253 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,1,0,0,0|1,0,1]=4 254 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,1,0,0,0|0,0,1]=3 255 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,1,0,0,0|2,0,0]=4 256 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,1,0,0,0|2,0,0]=4 257 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,0,1,0,0,0|1,0,1]=4 258 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,0,1,0,0,0|1,0,1]=4 259 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,0,1,0,0,0|1,0,1]=4 260 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,0,1,0,0,0|1,0,1]=4 261 B10R1.20 C#CC1=C(OC)C=CC=C1 CS21618 [1,0,1,0,0,0|0,0,2]=4 262 B10R1.20 CCC1=C(C=O)C=CC=C1 MC20141 [1,0,1,0,0,0|1,0,1]=4 263 B10R1.20 CNC1=C(C=O)C=CC=C1 CS17054 [1,0,1,0,0,0|2,0,0]=4 264 B10R1.20 COC1=C(C#N)C=CC=C1 CS19247 [1,0,1,0,0,0|1,0,1]=4 265 B10R1.20 COC1=C(C=O)C=CC=N1 CS20317 [1,0,1,0,0,0|2,0,0]=4 266 B10R1.20 COC1=C(C=O)C=CN=C1 MC442707 [1,0,1,0,0,0|2,0,0]=4 267 B10R1.20 COC1=C(CCl)C=CC=C1 MC20247 [1,0,1,0,0,0|1,0,1]=4 268 B10R1.20 COC1=C(CN)C=CC=C1 CS15681 [1,0,1,0,0,0|1,0,1]=4 269 B10R1.20 COC1=C(NN)C=CC=C1 CS19579 [1,0,1,0,0,0|2,0,0]=4 270 B10R1.20 COC1=C(NN)C=CC=C1 MC433991 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.20 COC1=C(OC)C=CC=C1 CS12067 [1,0,1,0,0,0|1,0,0]=3 272 B10R1.20 COC1=CC=CN=C1OC CS14783 [1,0,1,0,0,0|2,0,0]=4 273 B10R1.20 COC1=CC=NC=C1C=O MC442745 [1,0,1,0,0,0|2,0,0]=4 274 B10R1.20 O=CC1=CC=CC=C1C=O MC41138 [1,0,1,0,0,0|2,0,0]=4 275 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [1,0,1,0,0,0|1,0,0]=3 276 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,0,1,0,0,0|2,0,0]=4 277 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,0,1,0,0,0|2,0,0]=4 279 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,0,1,0,0,0|2,0,0]=4 280 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,0,1,0,0,0|2,0,0]=4 281 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,0,1,0,0,0|1,0,0]=3 282 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [1,0,1,0,0,0|2,0,0]=4 283 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [1,0,1,0,0,0|2,0,0]=4 284 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [1,0,1,0,0,0|2,0,0]=4 285 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [1,0,1,0,0,0|1,0,1]=4 286 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [1,0,1,0,0,0|2,0,0]=4 287 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [1,0,1,0,0,0|2,0,0]=4 289 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [1,0,1,0,0,0|1,0,0]=3 290 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [1,0,1,0,0,0|2,0,0]=4 291 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [1,0,1,0,0,0|2,0,0]=4 292 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [1,0,1,0,0,0|2,0,0]=4 293 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [2,0,0,0,0,0|2,0,0]=4 294 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [2,0,0,0,0,0|1,0,0]=3 295 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [2,0,0,0,0,0|0,0,2]=4 296 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [2,0,0,0,0,0|1,0,1]=4 297 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [2,0,0,0,0,0|0,1,0]=3 298 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [2,0,0,0,0,0|1,1,0]=4 299 B10R2.7 C1=CC2=C(C=CN2)C=N1 CS20237 [2,0,0,0,0,0|2,0,0]=4 300 B10R2.7 C1=CC2=C(C=CS2)C=N1 MC441330 [2,0,0,0,0,0|1,1,0]=4 301 B10R2.7 C1=CC2=CC=CN2C=C1 MC441215 [2,0,0,0,0,0|2,0,0]=4 302 B10R2.7 C1=CC2=CC=NC=C2N1 CS20238 [2,0,0,0,0,0|2,0,0]=4 303 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [2,0,0,0,0,0|1,0,0]=3 304 B10R2.7 C1=CC2=CC=NC=C2S1 CS13198 [2,0,0,0,0,0|1,1,0]=4 305 B10R2.7 C1=CC2=CC=NN2C=C1 MC106678 [2,0,0,0,0,0|2,0,0]=4 306 B10R2.7 C1=CC2=NC=CN2C=C1 CS18927 [2,0,0,0,0,0|2,0,0]=4 307 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [2,0,0,0,0,0|1,0,0]=3 308 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [2,0,0,0,0,0|1,0,0]=3 309 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [2,0,0,0,0,0|2,0,0]=4 310 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [2,0,0,0,0,0|0,0,0]=2 311 B10R2.7 C1=CN=C2C=CNC2=C1 CS20236 [2,0,0,0,0,0|2,0,0]=4 312 B10R2.7 C1=CN=C2C=CSC2=C1 CS14375 [2,0,0,0,0,0|1,1,0]=4 313 B10R2.7 C1=CN=C2NC=CC2=C1 CS10447 [2,0,0,0,0,0|2,0,0]=4 314 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [2,0,0,0,0,0|1,0,0]=3 315 B10R2.7 C1=CN=C2SC=CC2=C1 CS14590 [2,0,0,0,0,0|1,1,0]=4 316 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,1,1,0,0,0|1,0,1]=4 317 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,1,1,0,0,0|2,0,0]=4 318 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,1,1,0,0,0|1,0,1]=4 319 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,1,0,0,0|1,0,1]=4 320 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 CS21673 [0,1,1,0,0,0|1,0,1]=4 321 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,1,1,0,0,0|2,0,0]=4 322 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 CS14817 [0,1,1,0,0,0|1,0,1]=4 323 B12R1.225 CC(C(=O)O)C1=CC(N)=CC=C1 MC102234 [0,1,1,0,0,0|1,0,1]=4 324 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [0,1,1,0,0,0|1,0,1]=4 325 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CS10020 [0,1,1,0,0,0|1,0,1]=4 326 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,1,1,0,0,0|1,0,1]=4 327 B12R1.478 CCC(C1=CC=CC=C1)=C(Br)Br MC107155 [0,1,1,0,0,0|2,0,0]=4 328 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,1,1,0,0,0|1,0,1]=4 329 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,1,1,0,0,0|1,0,1]=4 330 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,1,1,0,0,0|1,0,1]=4 331 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,1,1,0,0,0|1,0,1]=4 332 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105852 [0,1,1,0,0,0|1,0,1]=4 333 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105853 [0,1,1,0,0,0|1,0,1]=4 334 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 CS15837 [0,1,1,0,0,0|1,0,1]=4 335 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,1,1,0,0,0|0,0,2]=4 336 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,1,1,0,0,0|1,0,0]=3 337 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [0,1,1,0,0,0|2,0,0]=4 338 B12R1.121 COC1=C(OCCN)C=CC=C1 CS21224 [0,1,1,0,0,0|1,0,1]=4 339 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 CS13616 [0,1,1,0,0,0|1,0,1]=4 340 B12R1.1112 C=CC1=CC=CC(Br)=C1OCC MC112461 [0,1,1,0,0,0|0,0,2]=4 341 B12R1.1112 CCOC1=C(C=O)C=CC=C1Br MC103354 [0,1,1,0,0,0|1,0,1]=4 342 B12R1.24 COC(=O)C1=C(O)C(Br)=CC=C1 CS17379 [0,1,1,0,0,0|2,0,0]=4 343 B12R1.24 COC(=O)C1=C(O)C(Cl)=CC=C1 CS12991 [0,1,1,0,0,0|2,0,0]=4 344 B12R1.24 COC(=O)C1=C(O)C(F)=CC=C1 MC433675 [0,1,1,0,0,0|2,0,0]=4 345 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,1,1,0,0,0|1,0,1]=4 346 B12R1.354 CCC(=O)C1=C(O)C=CC(F)=C1 MC41283 [0,1,1,0,0,0|1,0,1]=4 347 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 CS11656 [0,1,1,0,0,0|2,0,0]=4 348 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=C1 MC427365 [0,1,1,0,0,0|2,0,0]=4 349 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 CS20958 [0,1,1,0,0,0|2,0,0]=4 350 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 MC433676 [0,1,1,0,0,0|2,0,0]=4 351 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 CS21027 [0,1,1,0,0,0|2,0,0]=4 352 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 CS11594 [0,1,1,0,0,0|2,0,0]=4 353 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1O CS11643 [0,1,1,0,0,0|2,0,0]=4 354 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O MC433674 [0,1,1,0,0,0|2,0,0]=4 355 B12R1.3441 COC(=O)C1=C(N)C=CC=C1O CS15549 [0,1,1,0,0,0|2,0,0]=4 356 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CS17544 [1,1,0,0,0,0|0,1,0]=3 357 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [1,1,0,0,0,0|2,0,0]=4 358 B12R2.1 ClCC1=CN=C2C=CC=CN12 MC100124 [1,1,0,0,0,0|2,0,0]=4 359 B12R2.1 N#CC1=CNC2=CC=CC=C12 CS21455 [1,1,0,0,0,0|1,0,1]=4 360 B12R2.1 NCC1=CN=C2C=CC=CN12 CS18027 [1,1,0,0,0,0|2,0,0]=4 361 B12R2.1 NCC1=CN=C2C=CC=CN12 MC100149 [1,1,0,0,0,0|2,0,0]=4 362 B12R2.1 NCC1=CNC2=C1C=NC=C2 MC111172 [1,1,0,0,0,0|2,0,0]=4 363 B12R2.1 NCC1=CNC2=CC=CC=C12 CS20093 [1,1,0,0,0,0|1,0,0]=3 364 B12R2.1 NCC1=CNC2=CC=CN=C12 MC111171 [1,1,0,0,0,0|2,0,0]=4 365 B12R2.1 NCC1=CNC2=CN=CC=C12 MC111170 [1,1,0,0,0,0|2,0,0]=4 366 B12R2.1 NCC1=CNC2=NC=CC=C12 MC112998 [1,1,0,0,0,0|2,0,0]=4 367 B12R2.1 NCC1=NNC2=CC=CC=C21 CS11089 [1,1,0,0,0,0|2,0,0]=4 368 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [1,1,0,0,0,0|1,0,1]=4 369 B12R2.1 O=CC1=COC2=NC=CC=C12 MC430546 [1,1,0,0,0,0|1,0,1]=4 370 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [1,1,0,0,0,0|0,1,1]=4 371 B12R2.1 OCC1=C2C=CC=CN2N=C1 MC113052 [1,1,0,0,0,0|2,0,0]=4 372 B12R2.1 OCC1=CN=C2C=CC=CN12 MC107766 [1,1,0,0,0,0|2,0,0]=4 373 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [1,1,0,0,0,0|1,0,0]=3 374 B12R2.1 OCC1=NNC2=CC=CC=C21 MC444218 [1,1,0,0,0,0|2,0,0]=4 375 B12R2.1 OCN1C=NC2=C1C=CC=C2 MC33419 [1,1,0,0,0,0|2,0,0]=4 376 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 MC442810 [1,1,0,0,0,0|2,0,0]=4 377 B12R2.132 CC1=CC2=C(C=C1)N=CN2C CS17127 [1,1,0,0,0,0|2,0,0]=4 378 B12R2.132 CC1=CC2=C(C=C1)ON=C2N CS16622 [1,1,0,0,0,0|2,0,0]=4 379 B12R2.132 CC1=CNC2=CC=C(O)C=C12 CS14814 [1,1,0,0,0,0|1,0,0]=3 380 B12R2.132 CC1=CNC2=NC=C(Cl)C=C12 MC103571 [1,1,0,0,0,0|2,0,0]=4 381 B12R2.132 CC1=CNC2=NC=C(N)C=C12 MC103424 [1,1,0,0,0,0|2,0,0]=4 382 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 MC441297 [1,1,0,0,0,0|0,0,0]=2 383 B12R2.132 CC1=COC2=C1C=C(F)C=C2 MC427320 [1,1,0,0,0,0|0,0,0]=2 384 B12R2.132 CC1=CSC2=C1C=C(Br)C=C2 MC100206 [1,1,0,0,0,0|0,1,0]=3 385 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MC441868 [1,1,0,0,0,0|0,1,0]=3 386 B12R2.132 CC1=CSC2=C1C=C(F)C=C2 MC441869 [1,1,0,0,0,0|0,1,0]=3 387 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 CS18362 [1,1,0,0,0,0|2,0,0]=4 388 B12R2.132 CC1=NNC2=CC=C(Cl)C=C21 MC441351 [1,1,0,0,0,0|2,0,0]=4 389 B12R2.132 CC1=NNC2=CC=C(F)C=C21 MC441187 [1,1,0,0,0,0|2,0,0]=4 390 B12R2.132 CC1=NNC2=CC=C(I)C=C21 MC441185 [1,1,0,0,0,0|2,0,0]=4 391 B12R2.132 CC1=NNC2=CC=C(N)C=C21 CS22354 [1,1,0,0,0,0|2,0,0]=4 392 B12R2.132 CC1=NNC2=CC=C(O)C=C21 MC441356 [1,1,0,0,0,0|2,0,0]=4 393 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 CS16745 [1,1,0,0,0,0|1,0,0]=3 394 B12R2.132 ClC1=CC2=C(C=C1)SC=C2Br MC113833 [1,1,0,0,0,0|1,1,0]=4 395 B12R2.132 ClC1=CC=C2NC=C(Br)C2=C1 MC20448 [1,1,0,0,0,0|2,0,0]=4 396 B12R2.132 FC1=CC2=C(C=C1)ON=C2Cl MC445698 [1,1,0,0,0,0|2,0,0]=4 397 B12R2.132 NC1=CC=C2NC=C(Cl)C2=C1 MC432159 [1,1,0,0,0,0|2,0,0]=4 398 B12R2.132 NC1=CNC2=CC=C(Br)C=C12 MC20498 [1,1,0,0,0,0|2,0,0]=4 399 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 CS18317 [1,1,0,0,0,0|2,0,0]=4 400 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [1,1,0,0,0,0|1,0,1]=4 401 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [1,1,0,0,0,0|1,0,1]=4 402 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [1,1,0,0,0,0|1,0,1]=4 403 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [1,1,0,0,0,0|1,0,1]=4 404 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 CS15251 [1,1,0,0,0,0|2,0,0]=4 405 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 MC427277 [1,1,0,0,0,0|2,0,0]=4 406 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 CS16834 [1,1,0,0,0,0|2,0,0]=4 407 B12R2.196 CC1=COC2=C1C=CC=C2Br MC441289 [1,1,0,0,0,0|0,0,0]=2 408 B12R2.196 CC1=CSC2=C1C=CC=C2Br MC441871 [1,1,0,0,0,0|0,1,0]=3 409 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 MC441182 [1,1,0,0,0,0|2,0,0]=4 410 B12R2.196 CC1=NNC2=C(F)C=CC=C12 MC441181 [1,1,0,0,0,0|2,0,0]=4 411 B12R2.196 CC1=NNC2=C(N)C=CC=C12 MC441785 [1,1,0,0,0,0|2,0,0]=4 412 B12R2.196 CN1C=CC2=C1C=CC=C2O CS13327 [1,1,0,0,0,0|2,0,0]=4 413 B12R2.196 CN1C=NC2=C1C=CC=C2Br CS17911 [1,1,0,0,0,0|2,0,0]=4 414 B12R2.196 CN1C=NC2=C1C=CC=C2N CS22542 [1,1,0,0,0,0|2,0,0]=4 415 B12R2.196 NC1=C2NC=C(Cl)C2=CC=C1 MC111125 [1,1,0,0,0,0|2,0,0]=4 416 B12R2.196 NC1=NOC2=C1C=CC=C2F MC430947 [1,1,0,0,0,0|2,0,0]=4 417 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [1,1,0,0,0,0|1,0,1]=4 418 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [1,1,0,0,0,0|1,0,1]=4 419 B12R2.203 CC1=CN=C2C=CC=C(Br)N12 MC100104 [1,1,0,0,0,0|2,0,0]=4 420 B12R2.203 CC1=CN=C2C=CC=C(Br)N12 MC115655 [1,1,0,0,0,0|2,0,0]=4 421 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 CS12569 [1,1,0,0,0,0|1,0,0]=3 422 B12R2.203 CC1=CNC2=NC=CC(Br)=C12 MC102008 [1,1,0,0,0,0|2,0,0]=4 423 B12R2.203 CC1=CNC2=NC=CC(Cl)=C12 CS12845 [1,1,0,0,0,0|2,0,0]=4 424 B12R2.203 CC1=CNC2=NC=CC(N)=C12 MC104442 [1,1,0,0,0,0|2,0,0]=4 425 B12R2.203 CC1=COC2=C1C(=O)NC=N2 CS18477 [1,1,0,0,0,0|2,0,0]=4 426 B12R2.203 CC1=COC2=C1C(Cl)=NC=N2 CS18241 [1,1,0,0,0,0|2,0,0]=4 427 B12R2.203 CC1=CSC2=C1C(Br)=CC=C2 MC441278 [1,1,0,0,0,0|0,1,0]=3 428 B12R2.203 CC1=CSC2=C1C(Cl)=CC=C2 MC441870 [1,1,0,0,0,0|0,1,0]=3 429 B12R2.203 CC1=NNC2=C1C(N)=CC=C2 MC441202 [1,1,0,0,0,0|2,0,0]=4 430 B12R2.203 CC1=NNC2=C1C(O)=CC=C2 MC441352 [1,1,0,0,0,0|2,0,0]=4 431 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 CS16636 [1,1,0,0,0,0|2,0,0]=4 432 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 MC100876 [1,1,0,0,0,0|2,0,0]=4 433 B12R2.203 CC1=NNC2=CC=CC(F)=C21 MC441186 [1,1,0,0,0,0|2,0,0]=4 434 B12R2.203 ClC1=NC=CC2=C1C(Br)=CO2 CS15815 [1,1,0,0,0,0|2,0,0]=4 435 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [1,1,0,0,0,0|1,0,1]=4 436 B12R2.612 CC1=C2C=CC(Br)=CC2=NN1 CS10638 [1,1,0,0,0,0|2,0,0]=4 437 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 MC115929 [1,1,0,0,0,0|2,0,0]=4 438 B12R2.612 CC1=CNC2=NC(Cl)=CC=C12 MC102009 [1,1,0,0,0,0|2,0,0]=4 439 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 MC441296 [1,1,0,0,0,0|0,0,0]=2 440 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 MC441272 [1,1,0,0,0,0|0,1,0]=3 441 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 MC441867 [1,1,0,0,0,0|0,1,0]=3 442 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 CS10639 [1,1,0,0,0,0|2,0,0]=4 443 B12R2.612 CC1=NNC2=CC(Cl)=CC=C21 MC441347 [1,1,0,0,0,0|2,0,0]=4 444 B12R2.612 CC1=NNC2=CC(F)=CC=C21 MC441188 [1,1,0,0,0,0|2,0,0]=4 445 B12R2.612 CC1=NNC2=CC(I)=CC=C21 MC441346 [1,1,0,0,0,0|2,0,0]=4 446 B12R2.612 CC1=NNC2=CC(N)=CC=C21 MC441348 [1,1,0,0,0,0|2,0,0]=4 447 B12R2.612 CC1=NNC2=CC(O)=CC=C21 MC441350 [1,1,0,0,0,0|2,0,0]=4 448 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 CS12249 [1,1,0,0,0,0|1,0,0]=3 449 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 CS10246 [1,1,0,0,0,0|2,0,0]=4 450 B12R2.612 CN1C=CC2=CC(O)=CC=C21 MC102986 [1,1,0,0,0,0|2,0,0]=4 451 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 MC442223 [1,1,0,0,0,0|2,0,0]=4 452 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 MC33533 [1,1,0,0,0,0|2,0,0]=4 453 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=NO2 CS15249 [1,1,0,0,0,0|2,0,0]=4 454 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 MC442243 [1,1,0,0,0,0|2,0,0]=4 455 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 MC115930 [1,1,0,0,0,0|2,0,0]=4 456 B12R2.612 FC1=CC=C2C(Br)=CNC2=C1 MC430126 [1,1,0,0,0,0|2,0,0]=4 457 B12R2.612 NC1=NOC2=C1C=CC(Br)=C2 CS10654 [1,1,0,0,0,0|2,0,0]=4 458 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [1,1,0,0,0,0|1,0,1]=4 459 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [1,1,0,0,0,0|1,0,1]=4 460 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [1,1,0,0,0,0|1,0,1]=4 461 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 CS16833 [1,1,0,0,0,0|2,0,0]=4 462 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 MC20600 [1,1,0,0,0,0|2,0,0]=4 463 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 MC441090 [1,1,0,0,0,0|2,0,0]=4 464 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [1,1,0,0,0,0|1,0,0]=3 465 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 CS20692 [1,1,0,0,0,0|1,1,0]=4 466 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [1,1,0,0,0,0|2,0,0]=4 467 B12R2.32 CSC1=CN2C=CC=CC2=C1 MC442361 [1,1,0,0,0,0|2,0,0]=4 468 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [1,1,0,0,0,0|1,0,0]=3 469 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 MC31173 [1,1,0,0,0,0|1,1,0]=4 470 B12R2.32 CSC1=NC2=NC=CC=C2O1 CS17165 [1,1,0,0,0,0|2,0,0]=4 471 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 CS20901 [1,1,0,0,0,0|2,0,0]=4 472 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [1,1,0,0,0,0|1,0,0]=3 473 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 CS20895 [1,1,0,0,0,0|1,1,0]=4 474 B12R2.32 ClCC1=NC2=CC=CN=C2O1 MC443743 [1,1,0,0,0,0|2,0,0]=4 475 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [1,1,0,0,0,0|0,0,1]=3 476 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [1,1,0,0,0,0|0,1,1]=4 477 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [1,1,0,0,0,0|1,0,1]=4 478 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [1,1,0,0,0,0|0,0,0]=2 479 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS14446 [1,1,0,0,0,0|2,0,0]=4 480 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS20888 [1,1,0,0,0,0|2,0,0]=4 481 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 MC425570 [1,1,0,0,0,0|2,0,0]=4 482 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [1,1,0,0,0,0|0,1,1]=4 483 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [1,1,0,0,0,0|1,0,1]=4 484 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [1,1,0,0,0,0|1,0,1]=4 485 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [1,1,0,0,0,0|1,0,0]=3 486 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [1,1,0,0,0,0|2,0,0]=4 487 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [1,1,0,0,0,0|0,0,2]=4 488 B12R2.95 CC1(C)OC2=C(C=CC=C2)O1 CS17049 [1,1,0,0,0,0|1,0,1]=4 489 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 CS14478 [1,1,0,0,0,0|1,0,0]=3 490 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 MC113261 [1,1,0,0,0,0|2,0,0]=4 491 B12R2.202 CC1=CC2=C(C=CN=C2Cl)S1 MC100152 [1,1,0,0,0,0|1,1,0]=4 492 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 MC104045 [1,1,0,0,0,0|2,0,0]=4 493 B12R2.202 CC1=CC2=C(Cl)N=CC=C2N1 MC107257 [1,1,0,0,0,0|2,0,0]=4 494 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 MC104046 [1,1,0,0,0,0|2,0,0]=4 495 B12R2.202 CC1=CC2=CC=NC(Cl)=C2N1 MC104572 [1,1,0,0,0,0|2,0,0]=4 496 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 MC104017 [1,1,0,0,0,0|1,0,0]=3 497 B12R2.202 CC1=CC2=NC=CC(Cl)=C2S1 MC101941 [1,1,0,0,0,0|1,1,0]=4 498 B12R2.202 CC1=CN2C(Br)=CC=CC2=N1 MC441093 [1,1,0,0,0,0|2,0,0]=4 499 B12R2.202 CC1=CN2C=CC=C(N)C2=N1 CS12224 [1,1,0,0,0,0|2,0,0]=4 500 B12R2.202 CC1=NC2=C(C=CC=C2Br)N1 CS14639 [1,1,0,0,0,0|2,0,0]=4 501 B12R2.202 CC1=NC2=C(C=CC=C2Br)O1 MC442517 [1,1,0,0,0,0|1,0,0]=3 502 B12R2.202 CC1=NC2=C(C=CC=C2Br)S1 MC427102 [1,1,0,0,0,0|1,1,0]=4 503 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 CS12799 [1,1,0,0,0,0|1,0,0]=3 504 B12R2.202 CC1=NC2=C(S1)C(Br)=CC=C2 CS17820 [1,1,0,0,0,0|1,1,0]=4 505 B12R2.202 CN1C=C2C=CC=C(Br)C2=N1 CS12326 [1,1,0,0,0,0|2,0,0]=4 506 B12R2.202 ClC1=C2OC(I)=CC2=NC=C1 MC104018 [1,1,0,0,0,0|2,0,0]=4 507 B12R2.202 NC1=CC2=C(C=CC=C2Br)S1 MC104026 [1,1,0,0,0,0|1,1,0]=4 508 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [1,1,0,0,0,0|2,0,0]=4 509 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [1,1,0,0,0,0|0,0,0]=2 510 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 MC425571 [1,1,0,0,0,0|2,0,0]=4 511 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 CS11036 [1,1,0,0,0,0|1,0,0]=3 512 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 MC441288 [1,1,0,0,0,0|0,0,0]=2 513 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 MC433913 [1,1,0,0,0,0|1,0,0]=3 514 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 MC425648 [1,1,0,0,0,0|2,0,0]=4 515 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 CS11005 [1,1,0,0,0,0|1,0,0]=3 516 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS21722 [1,1,0,0,0,0|1,0,0]=3 517 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 CS12813 [1,1,0,0,0,0|1,0,0]=3 518 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 MC103158 [1,1,0,0,0,0|1,0,0]=3 519 B12R2.606 CC1=CC2=NC(C)=CN2C=C1 MC102731 [1,1,0,0,0,0|2,0,0]=4 520 B12R2.606 CC1=CC2=NC(Cl)=CC=C2N1 MC105276 [1,1,0,0,0,0|2,0,0]=4 521 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 CS15359 [1,1,0,0,0,0|1,0,0]=3 522 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 CS10011 [1,1,0,0,0,0|1,0,0]=3 523 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 CS10632 [1,1,0,0,0,0|1,0,0]=3 524 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)S1 CS10630 [1,1,0,0,0,0|1,1,0]=4 525 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [1,1,0,0,0,0|1,0,0]=3 526 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 MC442521 [1,1,0,0,0,0|2,0,0]=4 527 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 MC425565 [1,1,0,0,0,0|2,0,0]=4 528 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [1,1,0,0,0,0|1,0,0]=3 529 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 MC427474 [1,1,0,0,0,0|1,1,0]=4 530 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 CS10270 [1,1,0,0,0,0|2,0,0]=4 531 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 MC442516 [1,1,0,0,0,0|1,0,0]=3 532 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 MC20465 [1,1,0,0,0,0|1,0,0]=3 533 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)S1 MC31005 [1,1,0,0,0,0|1,1,0]=4 534 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS12509 [1,1,0,0,0,0|2,0,0]=4 535 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS21670 [1,1,0,0,0,0|2,0,0]=4 536 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS16740 [1,1,0,0,0,0|1,0,0]=3 537 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 MC442527 [1,1,0,0,0,0|2,0,0]=4 538 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 CS13431 [1,1,0,0,0,0|2,0,0]=4 539 B12R2.606 Cc1nc2cc(Br)ccc2s1 CS10712 [1,1,0,0,0,0|1,1,0]=4 540 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [1,1,0,0,0,0|2,0,0]=4 541 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 MC31128 [1,1,0,0,0,0|2,0,0]=4 542 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 CS13138 [1,1,0,0,0,0|2,0,0]=4 543 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [1,1,0,0,0,0|2,0,0]=4 544 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [1,1,0,0,0,0|2,0,0]=4 545 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 MC443172 [1,1,0,0,0,0|2,0,0]=4 546 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 MC106736 [1,1,0,0,0,0|2,0,0]=4 547 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [1,1,0,0,0,0|2,0,0]=4 548 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [1,1,0,0,0,0|2,0,0]=4 549 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 CS10329 [1,1,0,0,0,0|2,0,0]=4 550 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)O1 CS10298 [1,1,0,0,0,0|2,0,0]=4 551 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 CS11559 [0,1,0,0,0,1|2,0,0]=4 552 B14R2.8188 CC1=NC2=CC=CC=C2C(C)=C1C MC107789 [0,1,0,0,0,1|1,0,0]=3 553 B14R2.1019 CC1=NC(CCl)=NC2=CC=CC=C21 MC31243 [0,1,0,0,0,1|1,0,0]=3 554 B14R2.1146 COC1=CC(N)=CC2=CC=CC=C21 MC437965 [0,1,0,0,0,1|2,0,0]=4 555 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2N1 CS22686 [0,1,0,0,0,1|2,0,0]=4 556 B14R2.8235 CC1=CC(=O)NC2=CC=C(Cl)C=C12 CS13605 [0,1,0,0,0,1|2,0,0]=4 557 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 MC440304 [0,1,0,0,0,1|1,0,0]=3 558 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(Br)C=C12 CS13245 [0,1,0,0,0,1|2,0,0]=4 559 B14R2.8235 CC1=CC=C2N=C(C)C=C(C)C2=C1 MC107790 [0,1,0,0,0,1|1,0,0]=3 560 B14R2.8235 CC1=NC(=O)C2=CC(Cl)=CC=C2N1 CS10497 [0,1,0,0,0,1|2,0,0]=4 561 B14R2.8235 CC1=NC(Cl)=NC2=CC=C(Br)C=C21 MC103982 [0,1,0,0,0,1|2,0,0]=4 562 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(=O)N1 CS10631 [0,1,0,0,0,1|2,0,0]=4 563 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(Cl)=N1 CS10643 [0,1,0,0,0,1|2,0,0]=4 564 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(Cl)=N1 CS22504 [0,1,0,0,0,1|2,0,0]=4 565 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 CS11356 [0,1,0,0,0,1|1,0,0]=3 566 B14R2.29365 CC1=CC(=O)OC2=CC(S)=CC=C12 MC443166 [0,1,0,0,0,1|1,0,0]=3 567 B14R2.29365 CC1=NC2=CC(Cl)=CC=C2C(Cl)=N1 CS11927 [0,1,0,0,0,1|2,0,0]=4 568 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C#N MC115955 [0,1,0,0,0,1|1,0,1]=4 569 B14R2.1128 COC1=NC2=CC=CC=C2N=C1C MC111428 [0,1,0,0,0,1|1,0,0]=3 570 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl CS21502 [0,1,0,0,0,1|2,0,0]=4 571 B14R2.44 CNCC1=C(Cl)C2=C(C=CC=C2)S1 MC115977 [0,2,0,0,0,0|1,1,0]=4 572 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,2,0,0,0,0|0,0,1]=3 573 B14R2.1060 CN1C(CO)=NC2=C1C=C(Cl)C=C2 MC33297 [0,2,0,0,0,0|2,0,0]=4 574 B14R2.1095 CN1C(CO)=NC2=C1C=CC(Cl)=C2 MC33298 [0,2,0,0,0,0|2,0,0]=4 575 B14R2.1199 CN1C(CO)=NC2=C1C(Cl)=CC=C2 MC33299 [0,2,0,0,0,0|2,0,0]=4 576 B14R2.517 CC1=C(CCN)C2=CC=CC=C2N1 CS16947 [0,2,0,0,0,0|1,0,0]=3 577 B14R2.517 CC1=C(CCN)C2=CC=CC=C2N1 MC427295 [0,2,0,0,0,0|1,0,0]=3 578 B14R2.517 CC1=CC2=CC=CC=C2N1CCN MC116290 [0,2,0,0,0,0|2,0,0]=4 579 B14R2.642 CC(=O)N1C(C)=NC2=C1C=CC=C2 MC33418 [0,2,0,0,0,0|2,0,0]=4 580 B14R2.4217 CC1=CC2=NC(C)=C(CO)N2C=C1 MC102730 [0,2,0,0,0,0|2,0,0]=4 581 B14R2.3274 CC1=C(C)C2=CC(CN)=CC=C2N1 MC431689 [0,2,0,0,0,0|1,0,0]=3 582 B14R2.9184 CC1=C(C)N2C=C(Br)C=C(Br)C2=N1 MC442518 [0,2,0,0,0,0|2,0,0]=4 583 B14R2.1815 CC1=C(C)N2C=CC(C=O)=CC2=N1 MC441096 [0,2,0,0,0,0|2,0,0]=4 584 B14R2.1815 CC1=C2C=CC(CO)=CC2=NN1C MC103974 [0,2,0,0,0,0|2,0,0]=4 585 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,0,1,1,0,0|0,0,2]=4 586 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,0,1,1,0,0|2,0,0]=4 587 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,0,1,1,0,0|1,0,1]=4 588 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,1,1,0,0|1,0,1]=4 589 B12R2.315 COC1=CC=CC2=C1OC=C2 CS21625 [0,0,1,1,0,0|1,0,1]=4 590 B12R2.315 O=CC1=CC=CC2=C1OCC2 MC442782 [0,0,1,1,0,0|1,0,1]=4 591 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CS11332 [0,0,1,1,0,0|1,0,1]=4 592 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,0,1,1,0,0|1,0,1]=4 593 B14R3.49 C1=CC2=C(C=C1)C3=C(CCC3)N2 CS13524 [0,1,0,1,0,0|1,0,0]=3 594 B14R3.49 C1=CC2=C(C=C1)N3CCNC3=N2 CS20706 [0,1,0,1,0,0|2,0,0]=4 595 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,0,1,0,0,1|1,0,1]=4 596 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 MC116462 [0,0,0,0,0,2|2,0,0]=4 597 B14R2.287 CC1=NNC(=O)C2=C(C=CC=C2)O1 MC116792 [0,0,0,0,0,2|1,0,0]=3