0 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [1,0,0,0,0,0|1,0,1]=3 13 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [0,1,0,0,0,0|0,0,2]=3 15 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [0,1,0,0,0,0|0,0,2]=3 19 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.27 COC(=O)C#CC1=CC=NC=C1 AC6823 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.27 NC(\C=C\C1=CC=CC=C1)=N/O W15444 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O W18318 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,1,0,0,0,0|1,0,2]=4 28 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,1,0,0,0,0|0,0,2]=3 31 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.107 N=C(N)NC(=N)C1=CC=CC=C1 W12776 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 N12985 [0,1,0,0,0,0|1,0,2]=4 35 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 50989 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,1,0,0,0,0|0,0,2]=3 38 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 V10202 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.125 O=C(O)CCN1C=CC=CC1=O O10863 [0,1,0,0,0,0|1,0,2]=4 40 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.226 CC(=O)NNC1=CC=CC(Cl)=C1 C14571 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,1,0,0,0,0|1,0,2]=4 47 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,1,0,0,0,0|1,0,2]=4 48 B12R1.226 O=C(O)CCC1=CC(Br)=CN=C1 F30870 [0,1,0,0,0,0|1,0,2]=4 49 B12R1.226 OB(O)\C=C\C1=CC=CC(F)=C1 H12067 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 T72496 [0,1,0,0,0,0|1,0,2]=4 51 B10R0.78 C=CCNC(=O)\C=C/C(=O)O E72400 [0,0,1,0,0,0|2,0,1]=4 52 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,0|1,0,2]=4 53 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [0,0,0,1,0,0|2,0,0]=3 55 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,1,0,0|2,0,1]=4 57 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [0,0,0,1,0,0|2,0,0]=3 58 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,1,0|2,0,0]=3 61 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,1,0|1,0,2]=4 62 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,1,0|1,0,2]=4 63 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,1,0|2,0,1]=4 64 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,1,0|1,0,2]=4 65 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,1,0|2,0,0]=3 66 B10R1.66 O=C(O)COC1=CSC=C1 AT16734 [0,0,0,0,1,0|2,0,1]=4 67 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [0,0,0,0,1,0|2,0,1]=4 68 B10R1.66 O=C(O)\C=C\C1=CNN=C1 28276 [0,0,0,0,1,0|2,0,0]=3 69 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,0,0,0,1|1,0,2]=4 70 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 AT25408 [0,0,0,0,0,1|0,0,2]=3 71 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [0,0,0,0,0,1|1,0,2]=4 72 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [0,0,0,0,0,1|1,0,2]=4 73 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [0,0,0,0,0,1|1,0,2]=4 74 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [1,1,0,0,0,0|0,0,1]=3 78 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,1,0,0,0,0|0,0,0]=2 81 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [1,1,0,0,0,0|0,0,2]=4 83 B11R1.24 O=CNCC1=CC=CC(F)=C1 Y10034 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 FD10704 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,1,0,0,0,0|0,0,2]=4 87 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 W12901 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,1,0|1,0,1]=4 92 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT10021 [0,1,0,0,1,0|1,0,1]=4 93 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 F15634 [0,1,0,0,1,0|1,0,1]=4 94 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,1,0,0,1,0|1,0,1]=4 95 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,1,0,0,1,0|1,0,1]=4 96 B11R1.36 [2H]C([2H])=C([2H])C1=CC=CC=C1 D99675 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,1,0|1,0,1]=4 99 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,1,0,0,1,0|1,0,1]=4 100 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 S12253 [0,1,0,0,1,0|1,0,1]=4 102 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 N10485 [0,1,0,0,1,0|1,0,1]=4 103 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y10709 [0,1,0,0,1,0|1,0,1]=4 104 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,1,0,0,1,0|1,0,1]=4 105 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)O1 F12977 [0,1,0,0,1,0|1,0,0]=3 106 B11R1.77 CC(=O)OC(C)=C1C=CC=C1 W17975 [0,1,0,0,1,0|2,0,0]=4 107 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 A50922 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10006 [0,1,0,0,0,1|0,0,2]=4 109 B13R1.149 NC1=CC=CC(CCCC(=O)O)=C1 C16710 [0,1,0,0,0,1|0,0,2]=4 110 B13R1.149 O=C(O)CCOC1=CC=CC(Br)=C1 F13496 [0,1,0,0,0,1|0,0,2]=4 111 B13R1.149 O=C(O)CNCC1=CC=CC(Cl)=C1 W19303 [0,1,0,0,0,1|0,0,2]=4 112 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 AC5730 [0,1,0,0,0,1|0,0,2]=4 113 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17094 [0,1,0,0,0,1|0,0,2]=4 114 B13R1.158 O=C(O)CNCC1=C(Cl)C=CC=C1 W15239 [0,1,0,0,0,1|0,0,2]=4 115 B13R1.158 O=C(O)CNCC1=C(F)C=CC=C1 W16594 [0,1,0,0,0,1|0,0,2]=4 116 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 C11682 [0,1,0,0,0,1|0,0,0]=2 117 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 F12019 [0,1,0,0,0,1|1,0,1]=4 118 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [0,1,0,0,0,1|0,0,1]=3 119 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 AT12827 [0,1,0,0,0,1|1,0,1]=4 120 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C12171 [0,1,0,0,0,1|0,0,2]=4 121 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O C16268 [0,1,0,0,0,1|0,0,2]=4 122 B13R1.718 COC(=O)NCCC1=CC=CC=C1 F15323 [0,1,0,0,0,1|0,0,2]=4 123 B13R1.3523 O=P(O)(O)C\C=C\C1=CC=CC=C1 T70296 [0,1,0,0,0,1|1,0,0]=3 124 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 F16131 [0,2,0,0,0,0|0,0,2]=4 125 B13R1.3 O=C(O)\C=C\C1=CC=C(CO)C=C1 44458 [0,2,0,0,0,0|0,0,0]=2 126 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 A12447 [0,2,0,0,0,0|0,0,2]=4 127 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 D87889 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.14 COC(=O)C#CC1=CC=C(Br)C=C1 AT20430 [0,2,0,0,0,0|0,0,2]=4 129 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 T72904 [0,2,0,0,0,0|0,0,2]=4 130 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,2,0,0,0,0|0,0,2]=4 131 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [0,2,0,0,0,0|1,0,1]=4 132 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50480 [0,2,0,0,0,0|0,0,2]=4 133 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [0,2,0,0,0,0|0,0,1]=3 134 B13R1.133 CC1=CC=C(N[C@@H](F)C(=O)O)C=C1 98130 [0,2,0,0,0,0|1,0,1]=4 135 B13R1.133 C[C@H](OC1=CC=C(Br)C=C1)C(=O)O A50593 [0,2,0,0,0,0|1,0,1]=4 136 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12225 [0,2,0,0,0,0|0,0,2]=4 137 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 57696 [0,2,0,0,0,0|0,0,1]=3 138 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 AC3378 [0,2,0,0,0,0|0,0,2]=4 139 B13R1.133 [15NH2][C@@H](CC1=CC=C(O)C=C1)C(=O)O 41413 [0,2,0,0,0,0|0,0,2]=4 140 B13R1.164 CC1=C(CCC(=O)O)C=CC(Br)=C1 F52885 [0,2,0,0,0,0|0,0,2]=4 141 B13R1.164 CC1=C(CCC(=O)O)C=CC(Cl)=C1 F52883 [0,2,0,0,0,0|0,0,2]=4 142 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 Y10252 [0,2,0,0,0,0|1,0,1]=4 143 B13R1.164 CC1=CC(C)=C(SCC(=O)O)C=C1 AT20937 [0,2,0,0,0,0|1,0,1]=4 144 B13R1.164 CC1=CC(Cl)=C(CCC(=O)O)C=C1 F52923 [0,2,0,0,0,0|0,0,2]=4 145 B13R1.164 O=C(O)CCC1=C(Br)C=C(Cl)C=C1 F52880 [0,2,0,0,0,0|0,0,2]=4 146 B13R1.164 O=C(O)CCC1=C(F)C=C(O)C=C1 F13493 [0,2,0,0,0,0|0,0,2]=4 147 B13R1.164 O=C(O)COC1=C(Cl)C=C(O)C=C1 CL4127 [0,2,0,0,0,0|1,0,1]=4 148 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 A12491 [0,2,0,0,0,0|1,0,1]=4 149 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(O)C=C1 75498 [0,2,0,0,0,0|0,0,0]=2 150 B13R1.164 O=C(O)\C=C\C1=C(O)C=C(O)C=C1 A12691 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.164 O=[N+]([O-])\C=C\C1=C(Br)C=C(Cl)C=C1 W11256 [0,2,0,0,0,0|1,0,1]=4 152 B13R1.164 O=[N+]([O-])\C=C\C1=C(Br)C=C(F)C=C1 F21000 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.511 CC1=C(Br)C=CC(CCC(=O)O)=C1 F52924 [0,2,0,0,0,0|0,0,2]=4 154 B13R1.511 CC1=C(Br)C=CC(\C=C\C(=O)O)=C1 AT20409 [0,2,0,0,0,0|0,0,0]=2 155 B13R1.511 O=C(O)CCC1=CC(Br)=C(Cl)C=C1 F52873 [0,2,0,0,0,0|0,0,2]=4 156 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 F52922 [0,2,0,0,0,0|0,0,2]=4 157 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Br)C=C1 F52872 [0,2,0,0,0,0|0,0,2]=4 158 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 F52870 [0,2,0,0,0,0|0,0,2]=4 159 B13R1.511 O=C(O)CCC1=CC(Cl)=C(O)C=C1 F52918 [0,2,0,0,0,0|0,0,2]=4 160 B13R1.511 O=C(O)CCC1=CC(F)=C(O)C=C1 F52917 [0,2,0,0,0,0|0,0,2]=4 161 B13R1.511 O=C(O)CCC1=CC(O)=C(Cl)C=C1 F52919 [0,2,0,0,0,0|0,0,2]=4 162 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 W19089 [0,2,0,0,0,0|1,0,1]=4 163 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [0,2,0,0,0,0|0,0,2]=4 164 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [0,2,0,0,0,0|0,0,2]=4 165 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [0,2,0,0,0,0|0,0,2]=4 166 B13R1.15 COC(=O)C#CC1=CC=CC(Br)=C1 AT20431 [0,2,0,0,0,0|0,0,2]=4 167 B13R1.15 COC(=O)\C=C\C1=NC(N)=CC=C1 D87540 [0,2,0,0,0,0|1,0,0]=3 168 B13R1.135 COC(=O)C(=O)NC1=CC=NC=C1 A51225 [0,2,0,0,0,0|2,0,0]=4 169 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [0,2,0,0,0,0|0,0,2]=4 170 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 W18708 [0,2,0,0,0,0|0,0,0]=2 171 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 N14313 [0,2,0,0,0,0|0,0,2]=4 172 B13R1.148 C[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 91423 [0,2,0,0,0,0|0,0,2]=4 173 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y11481 [0,2,0,0,0,0|0,0,2]=4 174 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,2,0,0,0,0|0,0,1]=3 175 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,2,0,0,0,0|0,0,1]=3 176 B13R1.148 O=C(O)[C@@H](O)CC1=CC(O)=CC=C1 AC5897 [0,2,0,0,0,0|0,0,2]=4 177 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(Br)=C1 AC5087 [0,2,0,0,0,0|0,0,2]=4 178 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 AC5720 [0,2,0,0,0,0|0,0,2]=4 179 B13R1.152 CC(C(=O)O)S(=O)C1=CC=CC=C1 E72366 [0,2,0,0,0,0|1,0,1]=4 180 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 H11503 [0,2,0,0,0,0|0,0,2]=4 181 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O F12982 [0,2,0,0,0,0|0,0,2]=4 182 B13R1.202 C[C@H](OC1=C(F)C=CC=C1)C(=O)O C77967 [0,2,0,0,0,0|1,0,1]=4 183 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51256 [0,2,0,0,0,0|0,0,2]=4 184 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51262 [0,2,0,0,0,0|0,0,2]=4 185 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51268 [0,2,0,0,0,0|0,0,2]=4 186 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O N12180 [0,2,0,0,0,0|0,0,2]=4 187 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [0,2,0,0,0,0|0,0,1]=3 188 B13R1.202 [2H]C1=C(C[C@H](N)C(=O)O)C=CC=C1 D97891 [0,2,0,0,0,0|0,0,2]=4 189 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O F10940 [0,2,0,0,0,0|0,0,2]=4 190 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 29553 [0,2,0,0,0,0|0,0,2]=4 191 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87874 [0,2,0,0,0,0|0,0,2]=4 192 B13R1.1073 [2H]C([2H])(CC1=CC=CC=C1)C(=O)O D98699 [0,2,0,0,0,0|0,0,2]=4 193 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,2,0,0,0,0|0,0,2]=4 194 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62470 [0,2,0,0,0,0|0,0,2]=4 195 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 D86847 [0,2,0,0,0,0|0,0,2]=4 196 B13R1.147 O=C(O)CC(=O)C1=CC=CC(Br)=C1 AB22200 [0,2,0,0,0,0|0,0,1]=3 197 B13R1.201 CC(=O)CC(=O)C1=C(C)C=CC=C1 78540 [0,2,0,0,0,0|1,0,1]=4 198 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 N13091 [0,2,0,0,0,0|0,0,2]=4 199 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 N10811 [0,2,0,0,0,0|0,0,2]=4 200 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 N12341 [0,2,0,0,0,0|0,0,2]=4 201 B13R1.352 NS(=O)(=O)\C=C(/Cl)C1=CC=CC=C1 C16170 [0,2,0,0,0,0|1,0,1]=4 202 B13R1.150 CC1=C(F)C=CC=C1CCC(=O)O F52892 [0,2,0,0,0,0|0,0,2]=4 203 B13R1.150 O=C(O)CCC1=C(O)C(O)=CC=C1 C78169 [0,2,0,0,0,0|0,0,2]=4 204 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1Cl 95973 [0,2,0,0,0,0|0,0,2]=4 205 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1F Y11513 [0,2,0,0,0,0|0,0,2]=4 206 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1I 93251 [0,2,0,0,0,0|0,0,2]=4 207 B13R1.150 O=C(O)CCC1=CC=CC(O)=C1Br F52920 [0,2,0,0,0,0|0,0,2]=4 208 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1Cl 95972 [0,2,0,0,0,0|0,0,0]=2 209 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1F 95993 [0,2,0,0,0,0|0,0,0]=2 210 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl C78035 [0,2,0,0,0,0|0,0,0]=2 211 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 F52899 [0,2,0,0,0,0|0,0,2]=4 212 B13R1.893 CC1=CC(CCC(=O)O)=C(F)C=C1 F52890 [0,2,0,0,0,0|0,0,2]=4 213 B13R1.893 CC1=CC(SCC(=O)O)=C(C)C=C1 AT20939 [0,2,0,0,0,0|1,0,1]=4 214 B13R1.893 O=C(O)CCC1=C(Br)C=CC(O)=C1 F52921 [0,2,0,0,0,0|0,0,2]=4 215 B13R1.893 O=C(O)CCC1=C(F)C=CC(F)=C1 F52863 [0,2,0,0,0,0|0,0,2]=4 216 B13R1.3787 CC1=CC=CC(C)=C1SCC(=O)O E72363 [0,2,0,0,0,0|1,0,1]=4 217 B13R1.643 O=CC1=CC=CC(CCC(=O)O)=C1 F10937 [0,2,0,0,0,0|0,0,2]=4 218 B13R1.3420 CC1=CC(Br)=CC(CCC(=O)O)=C1 F52886 [0,2,0,0,0,0|0,0,2]=4 219 B13R1.3420 O=C(O)C#CC1=CC(Cl)=CC(Cl)=C1 W15245 [0,2,0,0,0,0|0,0,2]=4 220 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Cl)=C1 F52882 [0,2,0,0,0,0|0,0,2]=4 221 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(F)=C1 F52879 [0,2,0,0,0,0|0,0,2]=4 222 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(F)=C1 F52875 [0,2,0,0,0,0|0,0,2]=4 223 B13R1.3420 O=C(O)COC1=CC(Cl)=CC(Cl)=C1 A50586 [0,2,0,0,0,0|1,0,1]=4 224 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [0,0,1,1,0,0|0,0,0]=2 225 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 O10788 [0,0,1,1,0,0|2,0,0]=4 226 B11R1.53 O=CC1=CC=CN=C1C(=O)O D87924 [0,0,1,1,0,0|2,0,0]=4 227 B11R1.266 C=CC1=CC=CC(C(C)=O)=C1 75088 [0,0,1,1,0,0|1,0,0]=3 228 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 CL9709 [0,0,1,1,0,0|2,0,0]=4 229 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 AT13148 [0,0,1,1,0,0|2,0,0]=4 230 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 AT13153 [0,0,1,1,0,0|2,0,0]=4 231 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [0,0,1,1,0,0|2,0,0]=4 232 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [0,0,1,1,0,0|2,0,0]=4 233 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [1,0,0,1,0,0|1,0,1]=4 234 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [1,0,0,1,0,0|2,0,0]=4 235 B11R2.1 OC1=CN=C2C=CC=CN12 F18394 [1,0,0,1,0,0|2,0,0]=4 236 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,1,0,0|1,0,0]=3 237 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,1,0,0|1,0,0]=3 238 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [1,0,0,1,0,0|2,0,0]=4 239 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [0,0,0,1,1,0|1,0,0]=3 240 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,0,0,1,1,0|2,0,0]=4 241 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,0,0,1,1,0|2,0,0]=4 242 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [0,0,0,1,1,0|2,0,0]=4 243 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,1,0|0,1,1]=4 244 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [0,0,0,1,1,0|2,0,0]=4 245 B13R2.10 BrC1=CC=C(C2=CN=CC=C2)O1 F51943 [0,0,0,1,0,1|2,0,0]=4 246 B13R2.10 OC1=CC(C2=CC=CC=C2)=NO1 AC5685 [0,0,0,1,0,1|2,0,0]=4 247 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 W10345 [0,0,0,1,0,1|2,0,0]=4 248 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 W16116 [0,0,0,1,0,1|1,0,0]=3 249 B13R2.72 NC(=O)C1=C2C=CC=CN2N=C1 F14286 [0,0,0,1,0,1|2,0,0]=4 250 B13R2.72 NC(=O)C1=COC2=C1C=CC=C2 AC7458 [0,0,0,1,0,1|1,0,0]=3 251 B13R2.72 NC(=O)C1=COC2=CC=CN=C21 F14121 [0,0,0,1,0,1|2,0,0]=4 252 B13R2.72 O=C(Cl)C1=CN=C2C=CC=CN12 F17999 [0,0,0,1,0,1|2,0,0]=4 253 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 F30599 [0,0,0,1,0,1|0,0,0]=2 254 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 30091 [0,0,0,1,0,1|1,0,0]=3 255 B13R2.72 O=C(O)C1=C2C=CC=CN2N=N1 AT24858 [0,0,0,1,0,1|2,0,0]=4 256 B13R2.72 O=C(O)C1=C2C=CC=NN2N=C1 L10192 [0,0,0,1,0,1|2,0,0]=4 257 B13R2.72 O=C(O)C1=C2N=CC=CN2C=N1 F18664 [0,0,0,1,0,1|2,0,0]=4 258 B13R2.72 O=C(O)C1=CC=C2C=CC=CN21 58576 [0,0,0,1,0,1|1,0,0]=3 259 B13R2.72 O=C(O)C1=NOC2=C1C=CC=N2 F14142 [0,0,0,1,0,1|2,0,0]=4 260 B13R2.72 O=C(O)[C@@H]1C=CC2=C1C=CC=C2 F15123 [0,0,0,1,0,1|0,0,0]=2 261 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 D78639 [0,0,0,1,0,1|0,0,2]=4 262 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 D88113 [0,0,0,1,0,1|0,0,2]=4 263 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,0,0,1,0,1|0,0,2]=4 264 B13R2.155 CC1=CC2=C(C=CC(=O)N2)N=C1 91722 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 O10697 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.155 CC1=CC=C2C=CC(O)=NC2=N1 AT15928 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.155 CC1=CC=C2N=CC(O)=CC2=C1 A10636 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.155 ClC1=CC=C2C=CC(Cl)=NC2=C1 80787 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.155 NC1=CC=C2N=CC(O)=CC2=C1 33324 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.155 NC1=NC=C2C=CC(O)=CC2=C1 68526 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 D83247 [0,1,0,1,0,0|0,0,0]=2 272 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 94712 [0,1,0,1,0,0|0,0,2]=4 273 B13R2.155 O=C1N=CC2=C(C=C(Br)C=C2)N1 F15807 [0,1,0,1,0,0|2,0,0]=4 274 B13R2.155 O=C1N=CC2=C(C=C(Cl)C=C2)N1 F15805 [0,1,0,1,0,0|2,0,0]=4 275 B13R2.155 O=C1N=CC2=C(C=C(F)C=C2)N1 F15808 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=N1 C73013 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.155 OC1=CC=C2C=CC(F)=NC2=N1 D74676 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=N1 K10107 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 80398 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.155 OC1=CC=C2N=CC(F)=CC2=N1 K10125 [0,1,0,1,0,0|2,0,0]=4 281 B13R2.4930 O=C(O)[C@@H]1CC2=C1C=C(F)C=C2 AT11819 [0,1,0,1,0,0|0,0,2]=4 282 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 71141 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.32 OC1=C(Cl)C2=CC=CC=C2N=C1 C15579 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.32 OC1=C(Cl)C2=NC=CC=C2C=C1 C14483 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.32 OC1=C(Cl)C=NC2=CC=CC=C21 93347 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.32 OC1=C(Cl)N=CC2=CC=CC=C21 CL1036 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 C11064 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.57 CSC1=NC2=CC=CC=C2C=C1 H11532 [0,1,0,1,0,0|1,1,0]=4 289 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 F21338 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.57 OCC1=CC2=NC=CC=C2C=C1 AT24124 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [0,1,0,1,0,0|2,0,0]=4 292 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [0,1,0,1,0,0|1,0,0]=3 293 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.369 OC1=NC2=CC=CN=C2C=C1Br F30271 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 F20741 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.435 C[C@H](O)C1=CC2=C(C=CC=C2)S1 71502 [0,1,0,1,0,0|1,0,1]=4 301 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [0,1,0,1,0,0|1,0,0]=3 302 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [0,1,0,1,0,0|1,0,0]=3 303 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 AT21741 [0,1,0,1,0,0|1,0,0]=3 304 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 F53481 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.435 O=[S@]([O-])C1=CC2=C(C=CC=C2)O1 F14144 [0,1,0,1,0,0|1,0,1]=4 306 B13R2.328 BrC1=CC2=CC=CC=C2C(I)=C1 AC3548 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 T71081 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 F11290 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.328 FC1=CC2=CC=CC=C2C(Br)=C1 E72054 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.328 NC1=C2C=CC=CC2=NC(=O)N1 25868 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.328 NC1=CC2=CC=CC=C2C(O)=C1 F50945 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 AT23422 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 D76212 [0,1,0,1,0,0|0,0,0]=2 314 B13R2.328 O=C1C=C(I)OC2=C1C=CC=C2 C91932 [0,1,0,1,0,0|1,0,0]=3 315 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)N1 O11237 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)O1 94800 [0,1,0,1,0,0|1,0,0]=3 317 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)S1 D73547 [0,1,0,1,0,0|1,1,0]=4 318 B13R2.12159 O=S1(=O)C=C(Br)C2=C1C=CC=C2 AC4677 [0,1,0,1,0,0|1,0,1]=4 319 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=N1 69653 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 AT13138 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=C1 D86133 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=N1 91506 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.5179 NC1=C2C=CC(Cl)=NC2=CC=C1 O10759 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.5179 O=C1C=C2C=CC=C(Br)C2=CN1 P16671 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 D76504 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [0,1,0,1,0,0|0,0,0]=2 327 B13R2.5179 OC1=NC=C2C(Br)=CC=CC2=C1 24374 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.5179 [O-][N+]1=C2C=CC(O)=CC2=CC=C1 AC9845 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.162 CC1=C2N=C(Br)C=CC2=CC=C1 94408 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.162 CC1=C2N=C(N)C=CC2=CC=C1 72104 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 97676 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.162 CC1=CC=C2C=CC=C(N)C2=C1 C16241 [0,1,0,1,0,0|2,0,0]=4 333 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=C1 W18103 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.162 FC1=CC=C2C=CC=C(Br)C2=N1 91504 [0,1,0,1,0,0|2,0,0]=4 335 B13R2.162 NC1=C2N=C(Br)C=CC2=CC=C1 E72018 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 AT10622 [0,1,0,1,0,0|2,0,0]=4 337 B13R2.162 O=C1N=CC2=CC=CC(Cl)=C2N1 F15812 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C73233 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.162 OC1=CN=C2C=CC=C(Cl)C2=C1 33283 [0,1,0,1,0,0|2,0,0]=4 340 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=C1 D78656 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 P10166 [0,1,0,1,0,0|1,0,0]=3 343 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 S11534 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 C72558 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [0,1,0,1,0,0|1,0,0]=3 346 B13R2.3683 O=C1N=CC2=C(C=CC(Cl)=C2)N1 F15803 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.3683 O=C1N=CC2=C(C=CC(F)=C2)N1 F15804 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 F18811 [0,1,0,1,0,0|1,0,0]=3 349 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,0,0,0,2,0|2,0,0]=4 351 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,0,0,0,2,0|1,0,1]=4 352 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,2,0|0,0,0]=2 353 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,0,0,0,2,0|2,0,0]=4 354 B13R1.337 O=C(O)\C=C\OCC1=CC=CC=C1 AC8498 [0,0,0,0,0,2|0,0,0]=2 355 B13R1.337 O=[N+]([O-])CC\C=C\C1=CC=CC=C1 F15310 [0,0,0,0,0,2|1,0,1]=4