0 B11R2.1 BrC1=NN=C2C=NC=CN12 P18987 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 ClC1=NNC2=CC=CN=C21 24272 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 NC1=C2C=CC=CN2N=C1 C14653 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 NC1=CNC2=C1C=NC=C2 AC3430 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.1 N#CC1=C2C=CC=CN2C=N1 Y11384 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.1 N#CC1=NNC2=C1C=CN=C2 70895 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.1 OCC1=C2C=CC=CN2C=N1 P15497 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.132 BrC1=CN=C2NN=C(Br)C2=C1 79008 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.132 BrC1=NC=C2NN=C(Br)C2=C1 79005 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.132 CC1=CC2=C(N=C1)NN=C2I P14716 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.132 CC1=CC=C2NN=C(Br)C2=N1 C10883 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.132 CC1=NNC2=C1N=C(Br)C=C2 F51957 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.132 ClC1=CC=C2NN=C(Br)C2=N1 79010 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.132 ClC1=NC2=C(C=C1)NN=C2Cl Y13460 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.132 ClC1=NN=C2C=CC(Br)=CN12 P20759 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.132 NC1=NNC2=C1N=C(Cl)C=C2 91406 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13240 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13296 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y10762 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y14815 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [0,1,0,0,0,0|1,0,1]=3 27 B12R2.132 OC1=CC2=C(C=C1)NN=C2Br 83344 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.196 BrC1=CN=CC2=C1NN=C2I 79002 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.196 BrC1=NC=CC2=C1NN=C2I 79006 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.196 BrC1=NNC2=C(Br)C=NC=C12 78999 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.196 ClC1=C2NN=C(Br)C2=NC=C1 P13133 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.196 ClC1=CN=CC2=C1NN=C2I 79013 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.196 ClC1=NC=CC2=C1NN=C2Br P10724 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.196 ClC1=NC=CC2=C1NN=C2I 79016 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11238 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11251 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11266 [0,1,0,0,0,0|2,0,1]=4 38 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.203 BrC1=C2C(=CC=N1)NN=C2I 79004 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.203 BrC1=C2C(=CN=C1)NN=C2I 79007 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.203 ClC1=CC=CC2=NN=C(Br)N12 C76108 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N16517 [0,1,0,0,0,0|2,0,1]=4 43 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 Y14814 [0,1,0,0,0,0|2,0,1]=4 44 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11260 [0,1,0,0,0,0|2,0,1]=4 45 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 Y13416 [0,1,0,0,0,0|2,0,1]=4 46 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 59813 [0,1,0,0,0,0|2,0,1]=4 47 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11267 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11268 [0,1,0,0,0,0|2,0,1]=4 49 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,1,0,0,0,0|2,0,1]=4 50 B12R2.612 BrC1=NC2=C(C=C1)C(I)=NN2 C72437 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.612 BrC1=NC=C2C(=C1)NN=C2Br 79000 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,1,0,0,0,0|1,0,1]=3 53 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [0,1,0,0,0,0|2,0,1]=4 54 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P11527 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.612 CC1=NC=C2C=C(Br)C=CN21 D70563 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.612 ClC1=CC2=C(C=N1)C(Br)=NN2 79012 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.612 ClC1=CN=C2C(=C1)NN=C2Br 90668 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.612 FC1=CN2C=NC(I)=C2C=C1 84526 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.612 NC1=CC2=C(C=C1)B(O)OC2 P18085 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11241 [0,1,0,0,0,0|2,0,1]=4 61 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [0,1,0,0,0,0|2,0,1]=4 62 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [0,1,0,0,0,0|2,0,1]=4 64 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [0,1,0,0,0,0|1,0,2]=4 65 B12R2.612 OB1OCC2=C1C=CC(Cl)=C2 W19267 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,0,0,0|2,0,1]=4 67 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 D72990 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,0,1,0,0,0|2,0,1]=4 69 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,0,1,0,0,0|1,0,2]=4 70 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,0,1,0,0,0|2,1,0]=4 71 B12R2.24 ClC1=CC2=CC=CN=C2C=N1 87641 [0,0,0,0,0,1|3,0,0]=4 72 B12R2.24 FC1=CC2=CC=CC=C2C=N1 D82691 [0,0,0,0,0,1|2,0,0]=3 73 B12R2.24 NC1=CC2=CC=CN=C2C=N1 32379 [0,0,0,0,0,1|3,0,0]=4 74 B12R2.24 NC1=CC2=CN=CC=C2C=N1 H11216 [0,0,0,0,0,1|3,0,0]=4 75 B12R2.24 OC1=CC2=CN=CC=C2C=N1 F13344 [0,0,0,0,0,1|2,0,0]=3 76 B12R2.1081 NC1=CN=NC2=CC=CC=C12 97748 [0,0,0,0,0,1|2,0,0]=3 77 B12R2.1081 O=C1CCOC2=C1C=NC=C2 F53452 [0,0,0,0,0,1|2,0,1]=4 78 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,0,0,0,0,1|2,0,1]=4 79 B12R2.1081 O[C@H]1CCOC2=NC=CC=C21 AT21149 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,1,1,0,0,0|1,0,1]=4 81 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [0,1,1,0,0,0|1,0,1]=4 82 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [0,1,1,0,0,0|1,0,1]=4 83 B11R1.156 O=C(O)C1=C(F)C=CN=C1O C73448 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.156 OB(O)C1=C(O)C=CC=C1O 24193 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 38167 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [0,1,1,0,0,0|2,0,0]=4 88 B11R2.36 BrC1=CC2=CN=NN2C=C1 57010 [1,1,0,0,0,0|2,0,0]=4 89 B11R2.36 BrC1=CC2=NSC=C2C=C1 D84732 [1,1,0,0,0,0|2,0,0]=4 90 B11R2.36 BrC1=CN=C2C=COC2=C1 W19090 [1,1,0,0,0,0|2,0,0]=4 91 B11R2.36 CC1=CC2=CN=CN2C=C1 D80112 [1,1,0,0,0,0|2,0,0]=4 92 B11R2.36 ClC1=CN2C=NC=C2C=C1 84520 [1,1,0,0,0,0|2,0,0]=4 93 B11R2.36 ClC1=NC2=C(C=CO2)C=C1 D79572 [1,1,0,0,0,0|2,0,0]=4 94 B11R2.36 ClC1=NC=C2OC=CC2=C1 P19823 [1,1,0,0,0,0|2,0,0]=4 95 B11R2.36 FC1=NC2=C(C=C1)NN=C2 D97051 [1,1,0,0,0,0|2,0,0]=4 96 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [1,1,0,0,0,0|0,1,0]=3 97 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [1,1,0,0,0,0|1,1,0]=4 98 B11R2.36 NC1=CN=C2C=NNC2=C1 P12868 [1,1,0,0,0,0|2,0,0]=4 99 B11R2.36 NC1=CN=C2OC=CC2=C1 P11582 [1,1,0,0,0,0|2,0,0]=4 100 B11R2.36 OC1=CC2=C(C=C1)NN=N2 A12615 [1,1,0,0,0,0|2,0,0]=4 101 B11R2.36 OC1=CN=C2NN=CC2=C1 P16495 [1,1,0,0,0,0|2,0,0]=4 102 B11R2.106 BrC1=C2NN=CC2=NC=C1 P11923 [1,1,0,0,0,0|2,0,0]=4 103 B11R2.106 CC1=C2NN=CC2=CN=C1 79025 [1,1,0,0,0,0|2,0,0]=4 104 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [1,1,0,0,0,0|2,0,0]=4 105 B11R2.106 ClC1=C2NN=CC2=CN=C1 79009 [1,1,0,0,0,0|2,0,0]=4 106 B11R2.106 FC1=C2C=COC2=CC=C1 78779 [1,1,0,0,0,0|1,0,0]=3 107 B11R2.106 IC1=C2C=CNC2=CC=C1 78827 [1,1,0,0,0,0|2,0,0]=4 108 B11R2.106 IC1=C2C=COC2=NC=C1 P16093 [1,1,0,0,0,0|2,0,0]=4 109 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [1,1,0,0,0,0|1,0,1]=4 110 B11R2.106 NC1=C2CC=CC2=CC=C1 C14577 [1,1,0,0,0,0|2,0,0]=4 111 B11R2.106 NC1=C2OC=CC2=CC=N1 F30710 [1,1,0,0,0,0|2,0,0]=4 112 B11R2.106 NC1=C2OC=NC2=CC=C1 O11690 [1,1,0,0,0,0|2,0,0]=4 113 B11R2.106 NC1=C2ON=CC2=CC=C1 O11689 [1,1,0,0,0,0|0,0,0]=2 114 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [1,1,0,0,0,0|1,0,1]=4 115 B11R2.106 NC1=CC=CC2=CN=CN12 P12546 [1,1,0,0,0,0|2,0,0]=4 116 B11R2.106 O=C1NC=CC2=C1NN=C2 D74675 [1,1,0,0,0,0|2,0,0]=4 117 B11R2.106 OC1=CC=CC2=C1C=CO2 53817 [1,1,0,0,0,0|1,0,0]=3 118 B13R2.155 CC1=CC=C2C=NC(N)=CC2=C1 52988 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.155 NC1=CC=C2C=NC(Cl)=CC2=C1 D79802 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.155 OC1=CC=C2C=CC(F)=CC2=C1 N14580 [0,1,0,0,0,1|2,0,0]=4 121 B13R2.162 ClC1=C2C=C(Br)N=CC2=CC=C1 D72092 [0,1,0,0,0,1|2,0,0]=4 122 B13R2.162 ClC1=NC=C2C=CC=C(Br)C2=C1 96521 [0,1,0,0,0,1|2,0,0]=4 123 B13R2.162 NC1=C2C=C(Br)N=CC2=CC=C1 C72071 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.162 NC1=C2C=C(O)C=NC2=CC=C1 33255 [0,1,0,0,0,1|2,0,0]=4 125 B13R2.162 NC1=NC=C2C=CC=C(F)C2=C1 68515 [0,1,0,0,0,1|2,0,0]=4 126 B13R2.162 OC1=C2C=C(Cl)N=CC2=CC=C1 79086 [0,1,0,0,0,1|2,0,0]=4 127 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 D97229 [0,1,0,0,0,1|2,0,0]=4 128 B13R2.3683 BrC1=CC=C2C=C(Br)N=NC2=C1 F50936 [0,1,0,0,0,1|2,0,0]=4 129 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=C1 79254 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.3683 ClC1=CC=C2N=C(Cl)N=CC2=C1 83934 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.3683 NC1=NC=C2C=C(Cl)C=CC2=C1 68518 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.3683 OC1=CC=C2C=C(Cl)N=CC2=C1 79088 [0,1,0,0,0,1|2,0,0]=4 133 B13R2.3683 OC1=CC=C2N=C(Cl)N=CC2=C1 W17778 [0,1,0,0,0,1|2,0,0]=4 134 B13R2.5179 ClC1=C2C=NC(Br)=CC2=CC=C1 D79764 [0,1,0,0,0,1|2,0,0]=4 135 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=C1 68522 [0,1,0,0,0,1|2,0,0]=4 137 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [0,1,0,0,0,1|2,0,0]=4 138 B13R2.342 NC1=C2C=CC=C(F)C2=CN=C1 33322 [0,1,0,0,0,1|2,0,0]=4 139 B13R2.342 OC1=C2C=CC=C(Br)C2=CN=C1 K10061 [0,1,0,0,0,1|1,0,0]=3 140 B13R2.371 FC1=CN=C(Cl)C2=CC=CC=C12 73659 [0,1,0,0,0,1|2,0,0]=4 141 B13R2.4818 CC1=C2C(Br)=CC=CC2=CC=N1 D79824 [0,1,0,0,0,1|2,0,0]=4 142 B13R2.4818 FC1=C2C(=CC=C1)C=CN=C2Br 73655 [0,1,0,0,0,1|2,0,0]=4 143 B13R2.4818 FC1=C2C(Br)=CC=CC2=CN=C1 K10006 [0,1,0,0,0,1|2,0,0]=4 144 B13R2.4818 NC1=C2C(F)=CC=CC2=CC=N1 K10198 [0,1,0,0,0,1|2,0,0]=4 145 B13R2.4818 NC1=C2C(F)=CN=CC2=CC=C1 87036 [0,1,0,0,0,1|2,0,0]=4 146 B13R2.4818 O[C@H]1CCOC2=CC=CC(Cl)=C21 C11035 [0,1,0,0,0,1|1,0,1]=4 147 B13R2.9 O=CC1=NNC2=C(Br)C=CC=C12 F53400 [0,2,0,0,0,0|1,0,1]=4 148 B13R2.662 NCC1=NOC2=C1C=CC(Cl)=C2 28173 [0,2,0,0,0,0|1,0,0]=3 149 B13R2.2136 COC1=NNC2=C1C=C(N)C=N2 82012 [0,2,0,0,0,0|2,0,0]=4 150 B13R2.2931 CN1N=C(CBr)C2=C1C=CC=C2 36631 [0,2,0,0,0,0|2,0,0]=4 151 B13R2.3790 CC1=C(Br)C2=C(C=C1)NN=C2N 51611 [0,2,0,0,0,0|2,0,0]=4 152 B13R2.3790 NC1=NNC2=C1C(Cl)=C(F)C=C2 51642 [0,2,0,0,0,0|2,0,0]=4 153 B13R2.3790 O[C@H]1COC2=C1C(Br)=C(F)C=C2 C92691 [0,2,0,0,0,0|1,0,1]=4 154 B13R2.5187 CN1N=C(N)C2=C1C=C(F)C=C2 D79725 [0,2,0,0,0,0|2,0,0]=4 155 B13R2.11634 CC1=NNC2=CC(Br)=C(F)C=C21 P12751 [0,2,0,0,0,0|2,0,0]=4 156 B13R2.5180 O=C1NOC2=C1C=CC(F)=C2F W15602 [0,2,0,0,0,0|0,0,2]=4 157 B13R2.11642 CC1=CC(Cl)=C2C(=C1)NN=C2N 51628 [0,2,0,0,0,0|2,0,0]=4 158 B13R2.11642 CC1=NNC2=CC(Br)=CC(F)=C21 W14693 [0,2,0,0,0,0|2,0,0]=4 159 B13R2.2130 NCC1=CC2=C(C=C1)C(N)=NN2 P11903 [0,2,0,0,0,0|2,0,0]=4 160 B13R2.2130 O=CC1=CC2=C(C=C1)C(Cl)=NN2 78711 [0,2,0,0,0,0|2,0,0]=4