0 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.53 C=C(C)C1=CC=CN=C1C#N D81130 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.53 CC(C)C1=CC=CN=C1CCl D80268 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.53 CC(C)C1=CC=CN=C1CO D83406 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.53 CCC1=C(B(O)O)C=CC=N1 FD10096 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 O11001 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 O10763 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.53 N#CC1=CC=CN=C1C(=O)O 38302 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.53 O=[N+]([O-])C1=C(CO)N=CC=C1 AC1084 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CBr D97360 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.20 COC1=CC=CN=C1C=O P10318 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.20 COC1=CC=CN=C1CBr O10505 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.20 COC1=CC=CN=C1CCl 60117 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.20 COC1=NC=CC=C1CN 37576 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.20 COC1=NC=CN=C1NN C74005 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.20 COC1=NC=CN=C1OC 21131 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [1,0,0,0,0,0|1,0,2]=4 57 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [1,0,0,0,0,0|2,0,0]=3 64 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 D71991 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.46 COC1=C(C(=O)O)N=C(Br)C=C1 C72022 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 D95188 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.57 CCC1=C(C(=O)O)C=CC(N)=C1 D70908 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 FD10660 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.57 COC1=C(C(=O)O)C=CC(C)=N1 W17747 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 C76053 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 F52096 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O 97690 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.57 COC1=CC(Br)=CN=C1C(C)=O O10302 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O P15419 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 70929 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 O11853 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.77 COC(=O)C1=CC=CN=C1CCl 84738 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.77 COC(=O)C1=NC=CC=C1C#N AC6324 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.77 COC(=O)C1=NC=CC=C1OC 27447 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O W18407 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O F13154 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.87 COC1=C(Cl)C=CN=C1C(=O)O F11124 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F13156 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=N1 P12498 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O D95040 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=N1 79702 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y10100 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12102 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12103 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.283 CC(=O)C1=C(CC#N)C=CC=C1 W16908 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.283 CCCC1=CC=CN=C1C(=O)O D93328 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.283 CCOC1=CC=CN=C1[N+](=O)[O-] A12807 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 52097 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 C75893 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O O10259 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O 25880 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.437 COC1=NC=CC(Cl)=C1C(=O)O C13695 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.437 COC1=NC=CC(F)=C1C(=O)O D93132 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [0,0,0,1,0,0|2,0,1]=4 100 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [0,0,0,1,0,0|2,0,1]=4 101 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [0,0,0,1,0,0|2,0,1]=4 103 B12R2.1081 N[C@H]1CCCC2=NC=CN=C21 O11320 [0,0,0,1,0,0|1,0,1]=3 104 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,0,0,1,0,0|3,0,0]=4 110 B10R1.39 CCC1=C(C(=O)O)C=NN1 O11424 [0,0,0,0,1,0|2,0,1]=4 111 B10R1.39 CCC1=C(C(=O)O)SC=N1 87849 [0,0,0,0,1,0|2,0,0]=3 112 B10R1.39 CCC1=NNC=C1[N+](=O)[O-] P19152 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.39 CCC1=NOC=C1C(=O)O AC1772 [0,0,0,0,1,0|2,0,0]=3 114 B10R1.39 CCN1C=CN=C1C(=O)O D86551 [0,0,0,0,1,0|2,0,0]=3 115 B10R1.39 COC1=C(C(=O)O)SC=C1 W12768 [0,0,0,0,1,0|3,0,0]=4 116 B10R1.39 COC1=NNC=C1C(=O)O P20920 [0,0,0,0,1,0|3,0,0]=4 117 B10R1.39 O=C(O)C1=C(CO)N=CN1 D79425 [0,0,0,0,1,0|2,0,1]=4 118 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 F18015 [0,0,0,0,0,1|3,0,0]=4 119 B12R1.75 CCC1=C(CC(=O)O)C=CC=C1 C15212 [0,0,0,0,0,1|3,0,0]=4 120 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 71805 [0,0,0,0,0,1|3,0,0]=4 121 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] 81711 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.15 C#CC1=NC=CN=C1C 79091 [2,0,0,0,0,0|0,0,2]=4 123 B9R1.15 C=CC1=CC=CN=C1C P11579 [2,0,0,0,0,0|1,0,1]=4 124 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.15 CC1=CC=CN=C1CN C72913 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.15 CC1=NC=CC=C1CN 72802 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.15 CC1=NC=CC=C1CN AB7634 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.15 CC1=NC=CN=C1C=O 30985 [2,0,0,0,0,0|0,0,0]=2 130 B9R1.15 CC1=NC=CN=C1CCl P11784 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.15 CC1=NC=CN=C1CN E70300 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.15 CC1=NC=CN=C1CN P19746 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.15 CC1=NC=CN=C1CO P10784 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.15 CC1=NC=CN=C1NN BL010270 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.15 CCC1=C(O)C=CC=N1 71246 [2,0,0,0,0,0|1,0,1]=4 137 B9R1.15 CCC1=CC=CN=C1Br D80252 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.15 CCC1=CC=CN=C1N 55791 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.15 CCC1=NC=CN=C1N RB3385 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.15 CCC1=NC=CNC1=O S12194 [2,0,0,0,0,0|0,0,1]=3 141 B9R1.15 CNC1=NC=CN=C1N 25161 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.15 COC1=NC=CC=C1C C73664 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.15 COC1=NC=CN=C1Br 27717 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.15 NC1=CC=CN=C1C=O 80155 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.15 NC1=NC=CN=C1C=O 27460 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.15 NCC1=NC=CN=C1N AB3037 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.15 O=CC1=NC=CN=C1Br P14054 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.15 OCC1=NC=CN=C1Cl 80497 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [2,0,0,0,0,0|1,0,1]=4 153 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [2,0,0,0,0,0|0,0,2]=4 154 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [2,0,0,0,0,0|2,0,0]=4 156 B11R1.37 CCC1=C(C=O)C=C(Br)C=C1 CL9497 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.37 CCC1=C(C=O)C=CC(Cl)=C1 CK2098 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.37 COC1=C(C=O)C=CC(Br)=N1 Y11346 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.37 COC1=C(C=O)C=CC(Br)=N1 Y11347 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.37 COC1=C(C=O)N=C(Br)C=C1 36281 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.37 COC1=CC(Br)=CN=C1C=O 97692 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.41 CCSC1=C(C=O)C=CC=C1 W12314 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.41 COC1=C(CCO)N=CC=C1 52931 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.265 COC1=NC=CC(Br)=C1C=O C71245 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.265 COC1=NC=CC(Cl)=C1C=O C71046 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Br 55290 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 72214 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.156 CC(=O)C1=C(N)C=CN=C1Cl D83525 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.166 NC(=O)C1=NC=C(Cl)N=C1Cl E10195 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 27765 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [1,1,0,0,0,0|0,0,0]=2 190 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=N1 81966 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.167 NC(=O)C1=C(N)N=CC(Cl)=N1 75746 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.167 NC(=O)C1=C(O)N=CC(Cl)=N1 83017 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl W18440 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 25111 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.49 CCC1=C(C(C)=O)SC(N)=N1 W17901 [0,1,0,0,1,0|1,0,0]=3 210 B11R1.49 CCC1=NN(C)C=C1C(=O)O 78518 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.59 COC(=O)C1=C(CBr)C=CS1 37508 [0,1,0,0,1,0|2,0,0]=4 212 B11R1.59 COC(=O)C1=C(CN)OC=C1 A11523 [0,1,0,0,1,0|2,0,0]=4 213 B11R1.59 COC(=O)C1=C(CO)NC=N1 N12728 [0,1,0,0,1,0|1,0,1]=4 214 B11R1.178 CC(C)N1N=CC=C1C(=O)O 32801 [0,1,0,0,1,0|2,0,0]=4 215 B13R1.380 CCOC1=C(NC(C)=O)C=CC=C1 D88214 [0,1,0,0,0,1|2,0,0]=4 216 B13R1.2209 CCC1=C(C(=O)OC)C=C(Br)C=C1 CL9462 [0,2,0,0,0,0|2,0,0]=4 217 B13R1.2209 CNC1=C(C(=O)OC)N=C(Br)C=N1 N13229 [0,2,0,0,0,0|1,0,0]=3 218 B13R1.2209 CNC1=CC=C(C)N=C1C(=O)OC D81457 [0,2,0,0,0,0|2,0,0]=4 219 B13R1.2209 COC(=O)C1=C(OC)C=CC(Cl)=N1 W18514 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.2209 COC(=O)C1=C(OC)N=CC(N)=C1 85043 [0,2,0,0,0,0|2,0,0]=4 221 B13R1.2209 COC(=O)C1=C(OC)N=CC(O)=C1 82672 [0,2,0,0,0,0|2,0,0]=4 222 B13R1.2065 CCC1=C(C(=O)OC)C=CC(N)=C1 C71769 [0,2,0,0,0,0|2,0,0]=4 223 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 C71051 [0,2,0,0,0,0|2,0,0]=4 224 B13R1.2065 COC(=O)C1=C(OC)N=C(Cl)C=C1 52594 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.2065 COC(=O)C1=C(OC)N=C(N)C=C1 52593 [0,2,0,0,0,0|2,0,0]=4 226 B13R1.2065 COC(=O)C1=NC=C(Br)C=C1CBr F30936 [0,2,0,0,0,0|2,0,0]=4 227 B13R1.2065 COC(=O)C1=NC=C(Br)C=C1OC P11335 [0,2,0,0,0,0|2,0,0]=4 228 B13R1.349 CC(=O)C1=C(C(F)(F)F)C=CC=N1 A10137 [0,2,0,0,0,0|2,0,0]=4 229 B13R1.349 CC(C)(C)C1=C(C(=O)O)C=CC=N1 W16377 [0,2,0,0,0,0|2,0,0]=4 230 B13R1.349 O=C(O)C1=NC=CN=C1C(F)(F)F F12197 [0,2,0,0,0,0|2,0,0]=4 231 B13R1.107 CCC1=C(C(=O)OC)C=CC=C1O C73537 [0,2,0,0,0,0|2,0,0]=4 232 B13R1.464 CCOC(=O)C1=C(CN)N=CC=C1 S11622 [0,2,0,0,0,0|2,0,0]=4 233 B13R1.464 CCOC(=O)C1=C(NC)N=CC=C1 AC2786 [0,2,0,0,0,0|2,0,0]=4 234 B13R1.464 CCOC(=O)C1=CC=CN=C1CCl 33609 [0,2,0,0,0,0|2,0,0]=4 235 B13R1.547 COC(=O)C1=C(C(C)C)C=CC=C1 AC7725 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11575 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11577 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.2357 COC(=O)C1=C(Cl)C=CN=C1OC C72030 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.572 CCCOC1=CC=CN=C1C(=O)O T71778 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,0,1,1,0,0|1,0,1]=4 241 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [1,0,0,1,0,0|2,0,0]=4 242 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [1,0,0,1,0,0|2,0,0]=4 243 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [1,0,0,1,0,0|2,0,0]=4 244 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [1,0,0,1,0,0|1,0,0]=3 245 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [1,0,0,1,0,0|1,0,0]=3 246 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [1,0,0,1,0,0|2,0,0]=4 247 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [1,0,0,1,0,0|2,0,0]=4 248 B11R2.106 O=C1CCCC2=C1C=NO2 A10532 [0,0,0,1,1,0|2,0,0]=4 249 B11R2.106 O=C1CCCC2=C1NN=C2 93799 [0,0,0,1,1,0|1,0,1]=4 250 B11R2.106 O=C1CCCC2=C1OC=C2 W11588 [0,0,0,1,1,0|1,0,0]=3 251 B11R2.106 O=C1CCCC2=C1SC=N2 C77218 [0,0,0,1,1,0|1,0,0]=3 252 B11R2.106 O=C1CCCC2=CC=NN12 56886 [0,0,0,1,1,0|1,0,0]=3 253 B11R2.106 O=C1CCCC2=CNC=C12 28051 [0,0,0,1,1,0|2,0,0]=4 254 B11R2.106 O=C1CCCN2N=CC=C12 C73751 [0,0,0,1,1,0|1,0,0]=3 255 B11R2.106 O=C1CCSC2=C1C=CS2 W17776 [0,0,0,1,1,0|2,0,0]=4 256 B11R2.106 O=C1NCCC2=C1C=CN2 P17387 [0,0,0,1,1,0|1,0,1]=4 257 B11R2.106 O=C1NCCC2=C1C=CS2 96995 [0,0,0,1,1,0|2,0,0]=4 258 B11R2.106 O=C1NCCC2=C1SC=C2 78515 [0,0,0,1,1,0|2,0,0]=4 259 B11R2.106 O=C1NCCN2N=CC=C12 N10554 [0,0,0,1,1,0|2,0,0]=4 260 B11R2.106 O=C1OCCC2=C1SC=C2 W19518 [0,0,0,1,1,0|2,0,0]=4 261 B13R2.72 CC(=O)C1=CNC2=NC=CN=C12 32836 [0,0,0,1,0,1|1,0,1]=4 262 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,0,0,1,0,1|1,0,0]=3 263 B13R2.162 O=C1CCCC2=C1C=C(I)C=C2 N14356 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.162 O=C1CCCC2=C1C=C(O)C=N2 F18586 [0,1,0,1,0,0|1,0,0]=3 265 B13R2.162 O=C1CCCC2=C1N=C(Cl)C=C2 50032 [0,1,0,1,0,0|1,0,0]=3 266 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 C72148 [0,1,0,1,0,0|1,0,0]=3 267 B13R2.162 O=C1CCNC2=NC=C(Br)C=C12 AT16221 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.162 O=C1NCCC2=NC=C(Br)C=C12 W14994 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(F)C=C2 AB22587 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 I10918 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.5179 CC1=NC2=C(C=C1)C(=O)CCN2 69296 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 FD10564 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.5179 O=C1CCCC2=CC(Br)=CN=C12 55100 [0,1,0,1,0,0|1,0,0]=3 274 B13R2.5179 O=C1CCNC2=C1C=CC(Br)=N2 50656 [0,1,0,1,0,0|2,0,0]=4 275 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=N2 71914 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 70927 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.342 CC1=CC=CC2=C1CCCC2=O N10511 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.342 O=C1CCCC2=C(I)C=CC=C12 F16988 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.5514 O=C(O)C1=NC=CC=C1C2CC2 C76896 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.4818 NC1=C2C(=O)CCCC2=CC=C1 W13328 [0,1,0,1,0,0|2,0,0]=4 281 B13R2.4818 O=C1CCCC2=CC=CC(Br)=C12 56817 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.4818 O=C1CCCC2=CC=CC(Cl)=C12 58275 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.4818 O=C1CCCC2=CC=CC(O)=C12 F15628 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.14 COC1=C(C=O)OC=C1 65862 [1,0,0,0,1,0|2,0,0]=4 285 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [1,0,0,0,1,0|1,0,0]=3 286 B9R1.41 CC(=O)C1=CNC=C1C W17613 [1,0,0,0,1,0|2,0,0]=4 287 B9R1.41 CC(=O)C1=NC=CN1C 38319 [1,0,0,0,1,0|1,0,0]=3 288 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [1,0,0,0,1,0|1,0,1]=4 289 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [1,0,0,0,1,0|2,0,0]=4 290 B9R1.41 CN1N=CC=C1C(N)=O D86182 [1,0,0,0,1,0|2,0,0]=4 291 B9R1.41 CN1N=CN=C1C(=O)O 72096 [1,0,0,0,1,0|2,0,0]=4