0 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.61 CC1=CC=CN=C1B(O)O C16742 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.61 N=C(N)C1=C(F)C=CC=N1 90259 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.61 NC(=O)C1=C(O)N=CN=C1 Y11131 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [1,0,0,0,0,0|0,0,2]=3 72 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.15 C#CC1=NC=CN=C1C 79091 [1,0,0,0,0,0|0,0,2]=3 83 B9R1.15 C=CC1=CC=CN=C1Br 83953 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.15 C=CC1=CC=CN=C1C P11579 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.15 CC1=CC=CN=C1CN C72913 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.15 CC1=NC=CC=C1CN 72802 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,0,0,0,0,0|0,0,0]=1 93 B9R1.15 CC1=NC=CN=C1CCl P11784 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.15 CC1=NC=CN=C1CN E70300 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.15 CC1=NC=CN=C1CN P19746 [1,0,0,0,0,0|1,0,1]=3 96 B9R1.15 CC1=NC=CN=C1CO P10784 [1,0,0,0,0,0|0,0,2]=3 97 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.15 CCC1=CC=CN=C1N 55791 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.15 CCC1=NC=CNC1=O S12194 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.15 CNC1=CC=CN=C1N 94808 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 CNC1=NC=CC=C1N 72351 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 CNC1=NC=CN=C1N 25161 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.15 COC1=NC=CC=C1C C73664 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.15 COC1=NC=CN=C1Br 27717 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 NC1=C(C=O)C=NC=N1 66183 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.15 NC1=CC=CN=C1C=O 80155 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.15 OCC1=NC=CN=C1Cl 80497 [1,0,0,0,0,0|1,0,2]=4 118 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.53 C=C(C)C1=CC=CN=C1C#N D81130 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.53 CC(C)C1=CC=CN=C1CCl D80268 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.53 CC(C)C1=CC=CN=C1CO D83406 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 O10763 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.53 N#CC1=CC=CN=C1C(=O)O 38302 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.53 O=[N+]([O-])C1=C(CO)N=CC=C1 AC1084 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CBr D97360 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.87 CC1=CC=CN=C1S(=O)(=O)O C73655 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.87 CC1=CC=CN=C1S(N)(=O)=O F16161 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.87 CS(=O)(=O)C1=C(Br)C=CC=N1 D80464 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.87 CS(=O)(=O)C1=C(N)N=CC=C1 W19350 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.87 CS(=O)(=O)C1=CC=CN=C1Cl 37543 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Br 55290 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 72214 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.156 CC(=O)C1=C(F)C=CC=C1N C76841 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.156 CC(=O)C1=C(N)C=CN=C1Cl D83525 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 H10306 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 57354 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 81867 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)Cl 30562 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.156 CC1=CC=NC(N)=C1C(=O)O H10318 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.156 CC1=NC=CC(Br)=C1[N+](=O)[O-] F18275 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.156 CC1=NC=CC(Cl)=C1[N+](=O)[O-] 72136 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.156 CC1=NC=CC(N)=C1[N+](=O)[O-] 25975 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.156 NC1=C(C(=O)O)C(Br)=NC=C1 O11151 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 86987 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O 36262 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Br D83260 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Cl 55292 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F 79053 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.156 O=C(O)C1=C(O)C=CN=C1Br D94451 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 72793 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 58503 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.166 CC(=O)C1=C(Cl)N=C(Cl)N=C1 85285 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=N1 CS1395 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.166 CC1=CC(Cl)=CN=C1[N+](=O)[O-] C71757 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.166 CC1=CN=C(C(N)=O)C(=O)N1 W17787 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br 24900 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 RB3269 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.166 NC(=O)C1=C(O)N=C(O)C=C1 95017 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.166 NC(=O)C1=CC=C(N)N=C1F F20207 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F D79818 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F D79885 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.166 NC(=O)C1=NC=C(Cl)N=C1Cl E10195 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.166 O=C(O)C1=NC=C(Cl)NC1=O W17937 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 27765 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,1,0,0,0,0|0,0,0]=1 226 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 W13512 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.167 CC1=NC=C(F)C=C1[N+](=O)[O-] D83273 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=N1 F30972 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=N1 81966 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.167 NC(=O)C1=C(N)N=CC(Cl)=N1 75746 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.167 NC(=O)C1=C(O)N=CC(Cl)=N1 83017 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl W18440 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 F31145 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 F31274 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 80162 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 O10988 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 85645 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.222 CC1=CC=CN=C1\C(N)=N\O W10706 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,0,0,0,0|3,0,0]=4 276 B11R2.1 BrC1=CNC2=NC=CN=C12 27776 [0,0,0,1,0,0|2,0,1]=4 277 B11R2.1 BrC1=CSC2=NC=CN=C12 26726 [0,0,0,1,0,0|2,0,1]=4 278 B11R2.1 BrC1=NNC2=NC=CN=C12 35398 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.1 BrC1=NSC2=NC=CN=C12 27743 [0,0,0,1,0,0|3,0,0]=4 280 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|3,0,0]=4 281 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.1 CC1=CNC2=CC=CN=C12 F13594 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [0,0,0,1,0,0|2,0,0]=3 284 B11R2.1 NC1=CSC2=NC=CN=C12 28037 [0,0,0,1,0,0|2,0,1]=4 285 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,0,0,1,0,0|2,0,1]=4 286 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,0,0,1,0,0|2,0,1]=4 287 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,0,0,1,0,0|2,0,1]=4 288 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,1,0,0|3,0,0]=4 289 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,1,0,0|3,0,0]=4 290 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|3,0,0]=4 291 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,1,0,0|2,0,0]=3 292 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,0,0,1,0,0|3,0,0]=4 293 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,1,0,0|2,0,0]=3 294 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,0,0,1,0,0|1,0,0]=2 295 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,0,0,1,0,0|1,0,0]=2 296 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,0,0,1,0,0|3,0,0]=4 297 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,0,0,1,0,0|3,0,0]=4 298 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,1,0,0|1,0,2]=4 299 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,1,0,0|1,0,2]=4 300 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,1,0,0|1,0,2]=4 301 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,1,0,0|1,0,2]=4 302 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,1,0,0|1,0,2]=4 303 B11R2.55 ClC1=NC=CN=C1C2CC2 96959 [0,0,0,1,0,0|2,0,1]=4 304 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,0,0,0,1,0|1,0,0]=2 305 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,0,0,0,1,0|3,0,0]=4 306 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,0,0,0,1,0|2,0,0]=3 307 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,0,0,0,1,0|1,0,0]=2 308 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,0,0,0,1,0|1,0,1]=3 309 B9R1.41 CC1=C(C(=O)O)N=NS1 71555 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.41 CC1=NNC=C1[C@H](C)O 72728 [0,0,0,0,1,0|1,0,2]=4 311 B9R1.41 CN1C=CN=C1C(=N)N 38078 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,0,0,0,1,0|2,0,0]=3 313 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,0,0,0,1,0|2,0,0]=3 314 B9R1.41 CN1N=CN=C1C(=O)O 72096 [0,0,0,0,1,0|2,0,0]=3 315 B9R1.41 CN1N=NC=C1C(=O)O 27409 [0,0,0,0,1,0|3,0,0]=4 316 B9R1.41 NC(=O)C1=C(N)NC=N1 C13072 [0,0,0,0,1,0|2,0,1]=4 317 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [0,0,0,0,1,0|3,0,0]=4 318 B9R1.41 NC(=O)C1=CNN=C1N S11494 [0,0,0,0,1,0|3,0,0]=4 319 B9R1.41 NC(=O)C1=NNC=C1Br 25218 [0,0,0,0,1,0|3,0,0]=4 320 B9R1.41 NC(=O)C1=NSN=C1N C76987 [0,0,0,0,1,0|3,0,0]=4 321 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,0,0,0,1,0|2,0,1]=4 322 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,0,0,0,1,0|3,0,0]=4 323 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,0,0,0,1,0|3,0,0]=4 324 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,0,0,0,1,0|2,0,1]=4 325 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,0,0,0,1,0|3,0,0]=4 326 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,0,0,0,1,0|3,0,0]=4 327 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,0,0,0,1,0|2,0,1]=4 328 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,0,0,0,1,0|3,0,0]=4 329 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,0,0,0,1,0|3,0,0]=4 330 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,0,0,0,1,0|3,0,0]=4 331 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,0,0,0,1,0|3,0,0]=4 332 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,0,0,0,0,1|3,0,0]=4 333 B11R1.86 CC1=NC=CN=C1OC(C)C T73088 [0,0,0,0,0,1|1,0,1]=3 334 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,0,0,0,0,1|3,0,0]=4 335 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,0,0,0,0,1|3,0,0]=4 336 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,0,0,0,0,1|3,0,0]=4 337 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,0,0,0,0,1|2,0,0]=3 338 B11R1.86 O=C([O-])CC1=C(Cl)C=CC=N1 27510 [0,0,0,0,0,1|3,0,0]=4 339 B11R1.86 O=C([O-])CC1=C(F)C=CC=N1 98377 [0,0,0,0,0,1|3,0,0]=4 340 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl P15537 [0,0,0,0,0,1|2,0,0]=3 341 B8R0.18 CC(=O)C(=NO)C(C)=O F17532 [1,0,1,0,0,0|2,0,0]=4 342 B8R1.2 BrCC1=NC=CN=C1 31757 [2,0,0,0,0,0|1,0,1]=4 343 B8R1.2 C#CC1=NC=CN=C1 P11646 [2,0,0,0,0,0|0,0,2]=4 344 B8R1.2 ClCC1=NC=CN=C1 37060 [2,0,0,0,0,0|1,0,1]=4 345 B8R1.2 NCC1=NC=CN=C1 67569 [2,0,0,0,0,0|1,0,1]=4 346 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.5 CC1=C(I)C=CC=N1 F19761 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.5 CC1=NC=CN=C1Br 26975 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.5 CC1=NCCN=C1C N13379 [2,0,0,0,0,0|0,0,2]=4 350 B8R1.5 CC1=NNC=NC1=O D79535 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.5 ClC1=NC=CN=C1Br C71707 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.5 ClC1=NC=CN=C1I AC1564 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.5 FC1=NC=CN=C1Br W17938 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.5 NC1=NC=CN=C1Br 27472 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.5 NC1=NC=CN=C1I 27241 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.5 OC1=NC=CN=C1Br A11981 [2,0,0,0,0,0|1,0,1]=4 357 B8R1.5 OC1=NC=CN=C1O C74124 [2,0,0,0,0,0|1,0,1]=4 358 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [1,1,0,0,0,0|0,0,0]=2 363 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.2 CC1=CC=NC(C=O)=C1Cl S10197 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.2 COC1=NC=CC(Br)=C1C C71404 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.2 COC1=NC=CC(I)=C1C 96428 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.2 O=CC1=NC=CC(Cl)=C1Br P19340 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.4 CCOC1=NC=CN=C1N 25986 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.20 COC1=CC=CN=C1C=O P10318 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.20 COC1=CC=CN=C1CBr O10505 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.20 COC1=CC=CN=C1CCl 60117 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.20 COC1=NC=CC=C1CN 37576 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.20 COC1=NC=CN=C1NN C74005 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.20 COC1=NC=CN=C1OC 21131 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.25 CC1=C(C#N)N=CC(Cl)=N1 BL010403 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.25 CC1=NC(N)=CN=C1C#N BL010402 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 COC1=NC=C(F)C=C1C C76918 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 NC1=CC(Br)=CN=C1C=O P13238 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 NC1=CC(F)=CN=C1C=O D83274 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 O=CC1=C(Br)C=C(Br)C=N1 W15435 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 O=CC1=C(Br)C=C(Cl)C=N1 BL010229 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 O=CC1=C(Br)C=C(F)C=N1 58153 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=N1 80307 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 26730 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 O=CC1=C(F)C=C(F)C=N1 F11044 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.25 O=CC1=C(F)N=C(Br)C=C1 74727 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.25 O=CC1=C(O)N=C(Br)C=C1 D80553 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 O=CC1=CC=C(Cl)N=C1Br C71249 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.25 O=CC1=CC=C(F)N=C1Cl F12185 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl H10986 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 CK2094 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.30 CC1=C(C=O)C=C(I)C=C1 F20710 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.30 CC1=CC=C(O)C(C=O)=N1 W11337 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 81874 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.30 CC1=NC(C=O)=C(F)C=C1 P17355 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.30 CC1=NC=C(Cl)C=C1C=O CL0290 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [1,1,0,0,0,0|0,0,1]=3 454 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.30 COC1=NC(C)=CN=C1N C77014 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.30 NC1=C(C=O)N=C(Br)C=N1 27388 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.30 NC1=C(C=O)N=C(Cl)C=N1 C77004 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.30 O=CC1=C(F)C=CC(Cl)=N1 C10107 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.30 O=CC1=CC(Cl)=CN=C1Br 79175 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.30 O=CC1=CC(F)=CN=C1Cl 85374 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl P13243 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.245 CC1=CC=CC(O)=C1C=O 50507 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.245 COC1=C(Br)C=CN=C1C A11666 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.245 O=CC1=C(Br)C=CN=C1Br C10771 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.245 O=CC1=C(Br)C=CN=C1Cl 55291 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.245 O=CC1=C(Cl)C=CN=C1F C71910 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.39 CCC1=C(C(=O)O)SC=N1 87849 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.39 CCC1=NOC=C1C(=O)O AC1772 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.39 CCN1C=CN=C1C(=O)O D86551 [0,1,0,0,1,0|2,0,0]=4 474 B10R1.39 COC1=C(C(=O)O)SC=C1 W12768 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.39 COC1=NNC=C1C(=O)O P20920 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.39 O=C(O)C1=C(CO)N=CN1 D79425 [0,1,0,0,1,0|1,0,1]=4 477 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,1,0,0,1,0|1,0,0]=3 480 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,1,0,0,1,0|1,0,0]=3 481 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 73926 [0,1,0,0,1,0|1,0,0]=3 482 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,1,0,0,1,0|1,0,0]=3 483 B10R1.59 CC(=O)C1=NN(C)C=C1Cl E70434 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.59 CC1=C(C(=O)O)C=C(Br)S1 W11336 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 27125 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 A11936 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 A11196 [0,1,0,0,1,0|2,0,0]=4 488 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 D73863 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 F16072 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,1,0|1,0,1]=4 492 B10R1.59 CC1=CN(C)N=C1C(=O)O 22968 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.59 CN1N=C(Br)C=C1C(=O)O C77500 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.59 CN1N=C(Cl)C=C1C(=O)O 66055 [0,1,0,0,1,0|2,0,0]=4 495 B10R1.149 COC(=O)C1=C(Br)NC=N1 A11887 [0,1,0,0,1,0|1,0,1]=4 496 B10R1.149 COC(=O)C1=C(C)C=CN1 38966 [0,1,0,0,1,0|0,0,1]=3 497 B10R1.149 COC(=O)C1=C(Cl)SC=N1 W17606 [0,1,0,0,1,0|2,0,0]=4 498 B10R1.149 COC(=O)C1=C(N)N=CS1 27542 [0,1,0,0,1,0|2,0,0]=4 499 B10R1.149 COC(=O)C1=C(N)SC=N1 F13785 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.149 COC(=O)C1=C(O)C=CN1 C10734 [0,1,0,0,1,0|1,0,1]=4 501 B10R1.149 COC(=O)C1=CN=NN1C 30682 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.149 COC(=O)C1=CNN=C1C 25283 [0,1,0,0,1,0|1,0,0]=3 503 B10R1.149 COC(=O)C1=NNC=C1I Y10747 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.149 COC(=O)C1=NNC=C1N 37584 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.149 COC(=O)C1=NON=C1N D94535 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.149 COC(=O)C1=NSC=C1I AT21163 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.149 COC(=O)C1=NSN=C1N 26444 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.192 CC1=C(C(=O)O)N(C)C=C1 W18312 [0,1,0,0,1,0|1,0,1]=4 509 B10R1.192 CC1=C(C(=O)O)N(C)C=N1 W10906 [0,1,0,0,1,0|1,0,1]=4 510 B10R1.192 CC1=C(C(=O)O)N(C)N=C1 F21495 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.192 CC1=NSC(I)=C1C(N)=O W17527 [0,1,0,0,1,0|2,0,0]=4 512 B10R1.192 CN1N=CC(N)=C1C(=O)O F53437 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.194 CC(=O)C1=CNC(Br)=C1C S10057 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.194 CC1=C(C(=O)O)N=CN1C C76569 [0,1,0,0,1,0|1,0,1]=4 515 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,1,0,0,1,0|2,0,0]=4 516 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 F18015 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 71805 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] 81711 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.233 CC(=O)NC1=C(C)N=C(Cl)N=C1 81281 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 D71991 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.46 COC1=C(C(=O)O)N=C(Br)C=C1 C72022 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 FD10660 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.57 COC1=C(C(=O)O)C=CC(C)=N1 W17747 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 C76053 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 F52096 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O 97690 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.57 COC1=CC(Br)=CN=C1C(C)=O O10302 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O P15419 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 70929 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 O11853 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.77 COC(=O)C1=CC=CN=C1CCl 84738 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.77 COC(=O)C1=NC=CC=C1C#N AC6324 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.77 COC(=O)C1=NC=CC=C1OC 27447 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O F13154 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.87 COC1=C(Cl)C=CN=C1C(=O)O F11124 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F13156 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=N1 P12498 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O D95040 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=N1 79702 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.283 CC(=O)C1=C(CC#N)C=CC=C1 W16908 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.283 CCCC1=CC=CN=C1C(=O)O D93328 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 C75893 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O O10259 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O 25880 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.437 COC1=NC=CC(Cl)=C1C(=O)O C13695 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.437 COC1=NC=CC(F)=C1C(=O)O D93132 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.1000 CC1=CC(Cl)=NC(C)=C1C(=O)O 84506 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.3441 COC(=O)C1=C(Cl)C=CN=C1Br 55289 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.3441 COC(=O)C1=C(Cl)C=CN=C1C P17403 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.3441 COC(=O)C1=C(N)C=CN=C1Cl 87438 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.3441 COC(=O)C1=C(N)N=CC=C1C D81973 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.3441 COC(=O)C1=C(O)C=CC=C1C C74722 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.24 CCC(=O)C1=CC=CC(F)=C1C W10818 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.24 COC(=O)C1=C(Cl)C(Cl)=CC=N1 W16398 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.24 COC(=O)C1=NC=CC(Br)=C1C W12069 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1C 36343 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1F C71146 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.24 COC(=O)C1=NC=C[N+]([O-])=C1N AC9148 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1C C11047 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.232 NC1=C(C(=O)O)N=C(Cl)C(Cl)=N1 26666 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.232 NC1=NC(N)=C(C(=O)O)N=C1Br Y11120 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.452 CC1=CC(C#N)=CN=C1C(=O)O 79221 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.452 COC1=CN=C(C(=O)O)C(N)=N1 55145 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.452 COC1=NC(C)=C(C(=O)O)C=C1 24363 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 D87870 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=N1 BL008119 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=N1 85649 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 F19913 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=C1 F16760 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 C71884 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 O11963 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.1703 COC(=O)C1=C(C)NC(=O)C=C1 32384 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=N1 BL010110 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=N1 BL010141 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 P12276 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 O11966 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=N1 55143 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br 27048 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Br Y11556 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl AC8698 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F 24406 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O 76668 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N F14180 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.1703 COC(=O)C1=NC=C(Cl)N=C1Cl 84757 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C S10377 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.1703 COC(=O)C1=NC=C(F)C=C1N 85648 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.1703 O=C(CCl)C1=C(Br)C=C(Cl)C=N1 BL010234 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.1703 O=C(CCl)C1=NC=C(Cl)C=C1F BL010227 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.354 CCC(=O)C1=C(C)C=CC(Cl)=C1 W17965 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=N1 N11759 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=N1 83150 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=N1 D80475 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 35162 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.354 COC(=O)C1=C(C)N=CC(Cl)=N1 N13187 [0,2,0,0,0,0|0,0,0]=2 595 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=N1 D70469 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=N1 D74444 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=N1 C71779 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.354 COC(=O)C1=C(F)C=CC(C)=N1 D79814 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=N1 Y10087 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=N1 36328 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.354 COC(=O)C1=C(N)N=CC(C)=C1 27205 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.354 COC(=O)C1=C(N)N=CC(I)=N1 26903 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.354 COC(=O)C1=C(O)N=CC(F)=N1 N13384 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Br P11748 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.354 COC(=O)C1=CC(C)=CN=C1Br F31227 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.354 COC(=O)C1=CC(F)=CN=C1Br D79790 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.354 COC(=O)C1=CC(F)=CN=C1C D83689 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.354 COC(=O)C1=CC(F)=CN=C1F N13221 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.354 COC(=O)C1=CC(N)=CN=C1Cl AB9601 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.354 COC(=O)C1=CC(O)=CN=C1Cl P16237 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.354 COC(=O)C1=NC(C)=CC=C1O C75887 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.354 COC(=O)C1=NC(C)=CN=C1N 78276 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.354 COC(=O)C1=NC(Cl)=CN=C1Cl W17935 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.354 COC(=O)C1=NC(F)=CN=C1F W10961 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.453 COC1=CN=C(N)C(C(=O)O)=N1 N11834 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 29844 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 P11140 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl I10105 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [0,2,0,0,0,0|1,0,0]=3 623 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|2,0,0]=4 624 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|2,0,0]=4 625 B10R2.7 C1=CN=C2CNCC2=N1 50637 [1,0,0,1,0,0|1,0,1]=4 626 B10R2.7 C1=CN=C2NN=CC2=N1 27786 [1,0,0,1,0,0|2,0,0]=4 627 B10R2.32 O=C1CCN2C=CN=C12 W18257 [0,0,0,1,1,0|1,0,0]=3 628 B12R2.24 CC1=NC2=NC=CN=C2C=C1 C72942 [0,0,0,1,0,1|1,0,1]=4 629 B12R2.24 O=C1C=CC2=NC=CN=C2N1 26897 [0,0,0,1,0,1|0,0,2]=4 630 B12R2.24 O=C1CCC2=C(C=NC=N2)C1 F52711 [0,0,0,1,0,1|2,0,0]=4 631 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,1,0,1|1,0,0]=3 632 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [0,0,0,1,0,1|2,0,0]=4 633 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,1,0,1|2,0,0]=4 634 B12R2.202 O=C1CC2=C(N1)C(Cl)=NC=C2 P16160 [0,0,0,1,0,1|2,0,0]=4 635 B12R2.1081 N[C@H]1CCCC2=NC=CN=C21 O11320 [0,1,0,1,0,0|1,0,1]=4 636 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,1,0,1,0,0|1,0,0]=3 637 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 D96489 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 83999 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 52917 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 O10970 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.1 O=CC1=CNC2=NC=CN=C12 37351 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.1 OCC1=CNC2=NC=CN=C12 C73833 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,1,0|1,0,0]=3 649 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,1,0|1,0,0]=3 650 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,1,0|1,0,0]=3 651 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,1,0|1,0,0]=3 652 B8R1.7 CC(=O)C1=CN=NS1 66662 [1,0,0,0,1,0|2,0,0]=4 653 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,1,0|1,0,0]=3 654 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,1,0|1,0,0]=3 655 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,1,0|1,0,0]=3 656 B8R1.7 NC(=O)C1=CC=NO1 F30843 [1,0,0,0,1,0|2,0,0]=4 657 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,0,0,0,1,0|2,0,0]=4 658 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,0,0,0,1,0|2,0,0]=4 659 B8R1.7 NC(=O)C1=COC=N1 35847 [1,0,0,0,1,0|2,0,0]=4 660 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,0,0,0,1,0|2,0,0]=4 661 B8R1.7 NC(=O)C1=NSC=C1 F14137 [1,0,0,0,1,0|2,0,0]=4 662 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [1,0,0,0,1,0|2,0,0]=4 663 B8R1.7 O=C(O)C1=CSN=C1 83094 [1,0,0,0,1,0|2,0,0]=4 664 B8R1.7 O=C(O)C1=NNN=C1 O10789 [1,0,0,0,1,0|2,0,0]=4 665 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [1,0,0,0,1,0|2,0,0]=4 666 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,1,0|2,0,0]=4 667 B8R1.7 O=C(O)C1=NSN=C1 F16493 [1,0,0,0,1,0|2,0,0]=4 668 B8R1.11 C=CC1=NC=CN1C D84862 [1,0,0,0,1,0|1,0,1]=4 669 B8R1.11 CC1=C(C=O)N=CS1 F12255 [1,0,0,0,1,0|1,0,0]=3 670 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [1,0,0,0,1,0|1,0,0]=3 671 B8R1.11 CC1=CON=C1C=O W10337 [1,0,0,0,1,0|1,0,0]=3 672 B8R1.11 CC1=CSC=C1C=O P16095 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.11 CCC1=C(C)N=CS1 60935 [1,0,0,0,1,0|1,0,1]=4 674 B8R1.11 CCC1=CNN=C1C AC8755 [1,0,0,0,1,0|1,0,1]=4 675 B8R1.11 CN1N=CN=C1C=O 97733 [1,0,0,0,1,0|1,0,0]=3 676 B8R1.11 CN1N=NC=C1C=O 92411 [1,0,0,0,1,0|2,0,0]=4 677 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [1,0,0,0,1,0|1,0,1]=4 678 B8R1.11 O=CC1=C(Br)N=CS1 88252 [1,0,0,0,1,0|2,0,0]=4 679 B8R1.11 O=CC1=C(Br)NC=N1 C75380 [1,0,0,0,1,0|1,0,1]=4 680 B8R1.11 O=CC1=C(Br)SC=C1 57105 [1,0,0,0,1,0|2,0,0]=4 681 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [1,0,0,0,1,0|2,0,0]=4 682 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [1,0,0,0,1,0|2,0,0]=4 683 B8R1.11 O=CC1=C(I)SC=C1 C73596 [1,0,0,0,1,0|2,0,0]=4 684 B8R1.11 O=CC1=NSC=C1Br AT21087 [1,0,0,0,1,0|2,0,0]=4 685 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,0,0,0,0,2|2,0,0]=4 686 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,0,0,0,0,2|2,0,0]=4 687 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,0,0,0,0,2|2,0,0]=4