0 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,0,0,0,0,0|1,0,1]=2 39 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,0,0,0,0,0|1,0,1]=2 40 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,0,0,0,0,0|1,0,2]=3 59 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,0,0,0,0,0|0,0,2]=2 61 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 O11358 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 37719 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.13 N=C(N)C1=NC=C(F)C=C1 38084 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.13 NC(=O)C1=CN=C(O)N=C1 F13438 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.13 NC(=O)C1=NC=C(N)C=N1 30495 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.13 NC1=CN=C([N+](=O)[O-])C=C1 26771 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.13 O=[N+]([O-])C1=CN=C(I)C=C1 T72219 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.13 OC1=CN=C(C(F)F)C=C1 D92853 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [1,0,0,0,0,0|1,0,2]=4 88 B9R1.1 C#CC1=CN=C(O)C=C1 O11429 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 COC1=NC=C(O)C=N1 C16680 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [1,0,0,0,0,0|1,1,1]=4 108 B9R1.1 N#CC1=NC=C(O)C=C1 24955 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [1,0,0,0,0,0|0,1,2]=4 119 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,0,0|1,0,1]=3 123 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,0,0|1,0,2]=4 132 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 30617 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12652 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12653 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y13029 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 C77133 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,1,0,0,0,0|0,0,2]=3 158 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,1,0,0,0,0|0,0,2]=3 159 B11R1.3 COC1=CN=C(C(=N)N)C=C1 66227 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [0,1,0,0,0,0|1,1,1]=4 167 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [0,1,0,0,0,0|1,1,1]=4 168 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [0,1,0,0,0,0|1,1,1]=4 169 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 50211 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 72478 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16907 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33613 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33618 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33808 [0,1,0,0,0,0|1,0,1]=3 175 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13986 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 F58592 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 73838 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 O12033 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 F30395 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.19 CC(C)(F)C1=CC=C(Br)C=C1 F51874 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 91218 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 W17967 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 20480 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 55666 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 63204 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 87616 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 91259 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C73216 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3396 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3405 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D83842 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F51928 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H11175 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P18527 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11121 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10985 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13813 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13814 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13829 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 38109 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 D70941 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 C75280 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC6545 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.19 CS(=O)(=O)C1=CN=C(Cl)C=C1 91182 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 P10314 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.19 CS(=O)(=O)C1=NC=C(O)C=C1 F51251 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W10955 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.19 NC1=CC=C(S(=O)(=O)F)C=C1 D72000 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 I12019 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.19 O=P(O)(O)C1=CC=C(O)C=C1 T72323 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.19 O=S(=O)(Cl)C1=CC=C(O)C=C1 F21306 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 FD13126 [0,1,0,0,0,0|2,1,0]=4 223 B11R1.19 OC1=CC=C([B-](F)(F)F)C=C1 65325 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,1,0,0,0,0|0,0,0]=1 229 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,1,0,0,0,0|0,0,0]=1 234 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,1,0,0,0,0|1,0,1]=3 236 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.21 CC(C)C1=CC(F)=C(Br)C=C1 D93757 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 F11367 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.21 CC(C)C1=CC(N)=C(N)C=C1 D78649 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y11738 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12483 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12484 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13421 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13422 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y10159 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y11763 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13629 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13905 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 F16970 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11029 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11059 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11531 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 F16962 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10261 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10483 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10896 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.21 CC1=C(Cl)C=CC([C@H](C)O)=C1 W19076 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 N10471 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y10777 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14522 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14600 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20091 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20093 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F16977 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 N14192 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 34381 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11247 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11248 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 W17226 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 F14410 [0,1,0,0,0,0|1,0,1]=3 278 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=N1 AC1635 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.21 CC1=C(S)C=CC([N+](=O)[O-])=C1 N16881 [0,1,0,0,0,0|2,1,0]=4 281 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.21 CN(C)C1=CC(N)=C(N)C=C1 F31304 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.21 CN1C=C(C(N)=O)C=CC1=O C76234 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.21 CN1C=CC(C(N)=O)=CC1=O P10284 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.21 C[C@H](Br)C1=CC(F)=C(F)C=C1 C77557 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 N10463 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 Y10442 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N10743 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 Y10815 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 I11039 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N10849 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y10524 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y10673 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 N10467 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 N10948 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 Y10300 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y11210 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y11211 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y12971 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 20137 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 F16865 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 N10497 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 73374 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y10166 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y10893 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.21 N=C(N)C1=CC(Br)=C(F)C=C1 BL001616 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.21 N=C(N)C1=CC(Cl)=C(Cl)C=C1 A12573 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 F21414 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 25512 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 P20972 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.21 NC(=O)C1=CC=C(F)C(Br)=N1 D79819 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.21 NC(=O)C1=CN=C(Br)C(Cl)=C1 W18383 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.21 NC1=C(S)C=C([N+](=O)[O-])C=C1 S11317 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)N=C1 22716 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.21 O=[N+]([O-])C1=CC(I)=C(Br)C=C1 W18337 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,1,0,0,0,0|1,0,1]=3 339 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,1,0,0,0,0|1,0,2]=4 369 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,0|0,1,0]=2 379 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,1,0,0,0,0|2,0,1]=4 381 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,1,0,0,0,0|1,0,1]=3 391 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [0,1,0,0,0,0|1,0,2]=4 392 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 26252 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.22 NNC(=S)C1=CC=C(Cl)C=C1 W10978 [0,1,0,0,0,0|2,1,0]=4 394 B11R1.22 NNC(=S)C1=CC=C(F)C=C1 W10976 [0,1,0,0,0,0|2,1,0]=4 395 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [0,1,0,0,0,0|1,0,1]=3 413 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [0,1,0,0,0,0|1,0,1]=3 414 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [0,1,0,0,0,0|1,0,1]=3 415 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [0,1,0,0,0,0|1,0,1]=3 417 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,0,0,0,0|0,0,0]=1 420 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,0|1,0,0]=2 423 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,1,0,0,0,0|1,0,2]=4 424 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 65916 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,1,0,0,0,0|0,0,0]=1 429 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.166 CC(=O)C1=C(Cl)N=C(Cl)N=C1 85285 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 F51191 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 A12536 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10861 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10895 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11476 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11477 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11919 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11920 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y12621 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.166 CC1=C([N+](=O)[O-])C=CC(I)=C1 D71992 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.166 CC1=C([N+](=O)[O-])C=CC(S)=C1 N16874 [0,1,0,0,0,0|2,1,0]=4 453 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81528 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20177 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 D81223 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 Y10218 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 Y10360 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 D80666 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 D81664 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 41021 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 41031 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 N10675 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 N10686 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 Y10648 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 Y11061 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N16827 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N16937 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N17056 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 N10465 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 RB3269 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.166 NC(=O)C1=C(O)N=C(O)C=C1 95017 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.166 NC(=O)C1=CC=C(N)N=C1F F20207 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F D79818 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F D79885 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.166 NC1=C([N+](=O)[O-])C=NC(O)=C1 26751 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(Br)C=C1 Y12426 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.166 O=[N+]([O-])C1=C(I)C=C(O)C=C1 23870 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 I12051 [0,1,0,0,0,0|2,0,1]=4 504 B11R2.34 NC1=CC=C(C2CC2)C=C1 26267 [0,0,0,1,0,0|2,0,1]=4 505 B11R2.34 NC1=CC=C(C2CC2)C=C1 33400 [0,0,0,1,0,0|2,0,1]=4 506 B11R2.34 OC1=NC=C(C2CC2)C=C1 C71515 [0,0,0,1,0,0|2,0,1]=4 507 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,0,0,0,1,0|3,0,0]=4 508 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,1,0|2,0,0]=3 509 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,0,0,0,1,0|2,0,0]=3 510 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,0,0,0,1,0|3,0,0]=4 511 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,0,0,0,1,0|3,0,0]=4 512 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,0,0,0,1,0|2,0,0]=3 513 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,0,0,0,1,0|3,0,0]=4 514 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,0,0,0,1,0|3,0,0]=4 515 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,0,1,0|3,0,0]=4 516 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,0,0,0,1,0|3,0,0]=4 517 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,0,1,0|3,0,0]=4 518 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,0,0,0,1,0|3,0,0]=4 519 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,0,0,0,1,0|3,0,0]=4 520 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,0,0,0,1,0|3,0,0]=4 521 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,0,0,0,1,0|3,0,0]=4 522 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,0,0,0,1,0|3,0,0]=4 523 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,0,0,0,1,0|2,0,1]=4 524 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,1,0|3,0,0]=4 525 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,1,0|3,0,0]=4 526 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,0,0,0,1,0|3,0,0]=4 527 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,0,0,0,1,0|3,0,0]=4 528 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,0,0,0,1,0|3,0,0]=4 529 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,0,0,0,1,0|3,0,0]=4 530 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,0,0,0,1,0|3,0,0]=4 531 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,0,0,0,1,0|3,0,0]=4 532 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,0,0,0,1,0|3,0,0]=4 533 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,0,0,0,1,0|3,0,0]=4 534 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,0,0,0,1,0|3,0,0]=4 535 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,0,0,0,1,0|3,0,0]=4 536 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,0,0,0,1,0|3,0,0]=4 537 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,0,0,0,1,0|3,0,0]=4 538 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,0,0,0,1,0|3,0,0]=4 539 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,0,0,0,1,0|3,0,0]=4 540 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,0,0,0,0,1|2,0,0]=3 541 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,0,0,0,0,1|1,0,0]=2 542 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 C12628 [0,0,0,0,0,1|3,0,0]=4 543 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,0,0,0,0,1|1,0,0]=2 544 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 F52718 [0,0,0,0,0,1|3,0,0]=4 545 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [0,0,0,0,0,1|2,0,1]=4 546 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [0,0,0,0,0,1|2,0,1]=4 547 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,0,0,0,0,1|2,0,1]=4 548 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,0,1|3,0,0]=4 549 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,0,0,0,0,1|2,0,1]=4 550 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,0,0,0,0,1|2,0,1]=4 551 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,0,0,0,0,1|2,0,1]=4 552 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,0,0,0,0,1|2,0,1]=4 553 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,0,0,0,0,1|2,0,1]=4 554 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,0,0,0,0,1|2,0,1]=4 555 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,0,0,0,0,1|1,0,1]=3 556 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,0,0,0,0,1|1,0,2]=4 557 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,0,0,0,0,1|3,0,0]=4 558 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,0,0,0,0,1|2,0,0]=3 559 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,0,0,0,0,1|3,0,0]=4 560 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,0,0,0,0,1|3,0,0]=4 561 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,0,0,0,0,1|3,0,0]=4 562 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,0,0,0,0,1|1,1,0]=3 563 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,0,0,0,0,1|3,0,0]=4 564 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,0,0,0,0,1|3,0,0]=4 565 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,0,0,0,0,1|3,0,0]=4 566 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,0,0,0,0,1|2,0,0]=3 567 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,1]=4 568 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 570 B8R1.3 CC1=CN=C(O)C=N1 84954 [2,0,0,0,0,0|2,0,0]=4 571 B8R1.3 CC1=NC=C(I)C=C1 C10582 [2,0,0,0,0,0|2,0,0]=4 572 B8R1.3 CC1=NC=C(O)C=N1 25911 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.3 NC1=CC=C(O)C=C1 C75965 [2,0,0,0,0,0|1,0,0]=3 574 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.3 SC1=CC=C(I)C=C1 F20637 [2,0,0,0,0,0|1,1,0]=4 576 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|0,0,1]=3 577 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|0,0,1]=3 580 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|0,0,1]=3 581 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [1,1,0,0,0,0|0,0,1]=3 587 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.25 C=CC1=C(Br)C=C(F)C=C1 S10822 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 CC1=CC(Br)=NC=C1C=O C77172 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [1,1,0,0,0,0|0,0,1]=3 603 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [1,1,0,0,0,0|0,0,1]=3 606 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [1,1,0,0,0,0|1,0,1]=4 608 B10R1.25 CNC1=C(Br)C=C(F)C=C1 71883 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.25 COC1=C(Cl)C=C(I)C=C1 F15482 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 CSC1=C(Br)C=C(F)C=C1 69928 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 Y11168 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 CSC1=C(F)C=C(N)C=C1 94984 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 N#CC1=C(Br)C=C(O)C=C1 AC6875 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.25 N#CC1=C(O)C=C(O)C=C1 C76016 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.25 NC1=C(C=O)C=CC(F)=C1 34566 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.25 NC1=CC(Br)=C(C=O)C=C1 C16178 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.25 NC1=CC(Br)=CN=C1C=O P13238 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 NC1=CC(Cl)=NC=C1C=O 22929 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 NC1=CC(F)=C(C=O)C=C1 AC6806 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.25 NC1=CC(F)=CN=C1C=O D83274 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 NC1=CC(N)=C(C=O)C=C1 C10737 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14725 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.25 O=CC1=C(Br)C=C(Br)C=N1 W15435 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 O=CC1=C(Br)C=C(Cl)C=N1 BL010229 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 O=CC1=C(Br)C=C(F)C=N1 58153 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 67919 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=N1 80307 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 26730 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 O=CC1=C(F)C=C(F)C=N1 F11044 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 O=CC1=C(F)N=C(Br)C=C1 74727 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 O=CC1=C(I)C=C(F)C=C1 CL9496 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.25 O=CC1=C(O)N=C(Br)C=C1 D80553 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.25 O=CC1=CC=C(Cl)N=C1Br C71249 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 O=CC1=CC=C(F)N=C1Cl F12185 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 O=CC1=CN=C(Br)C=C1Cl CL0319 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 OCC1=C(Br)C=C(O)C=C1 98273 [1,1,0,0,0,0|0,0,2]=4 639 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CL9122 [1,1,0,0,0,0|0,0,2]=4 640 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 C15264 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 S10073 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.176 C=CC1=CC(I)=C(O)C=C1 D94289 [1,1,0,0,0,0|0,0,1]=3 643 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.176 CC1=C(O)C=CC(C#N)=C1 O11240 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [1,1,0,0,0,0|0,0,2]=4 649 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.176 CN1C=C(C=O)C=CC1=O H11166 [1,1,0,0,0,0|1,0,1]=4 658 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [1,1,0,0,0,0|0,0,2]=4 662 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 A12705 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.176 O=CC1=CC(F)=C(I)C=C1 23742 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.176 O=CC1=CC(I)=C(F)C=C1 34606 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 34572 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.176 O=CC1=CC(O)=C(I)C=C1 62940 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 C14399 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 O11553 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 97698 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 C16801 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 32221 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [1,1,0,0,0,0|0,0,1]=3 676 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,1]=4 679 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|0,0,2]=4 680 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|0,0,2]=4 681 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [1,1,0,0,0,0|1,1,0]=4 687 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|0,0,2]=4 694 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 C15067 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,1,0,0,0,0|1,0,1]=4 722 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [1,1,0,0,0,0|1,0,1]=4 725 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [1,1,0,0,0,0|1,0,1]=4 728 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [1,1,0,0,0,0|1,0,1]=4 729 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [1,1,0,0,0,0|1,0,1]=4 731 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [1,1,0,0,0,0|0,0,2]=4 735 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [1,1,0,0,0,0|0,0,2]=4 736 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [1,1,0,0,0,0|0,0,2]=4 737 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,1,0,0,0,0|0,0,2]=4 738 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [1,1,0,0,0,0|0,0,0]=2 752 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [1,1,0,0,0,0|1,0,1]=4 764 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [1,1,0,0,0,0|0,0,2]=4 766 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [1,1,0,0,0,0|0,0,2]=4 767 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [1,1,0,0,0,0|1,0,1]=4 769 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [1,1,0,0,0,0|1,0,1]=4 770 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [1,1,0,0,0,0|1,0,1]=4 774 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [1,1,0,0,0,0|1,0,1]=4 776 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [1,1,0,0,0,0|1,0,1]=4 777 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [1,1,0,0,0,0|1,0,1]=4 778 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [1,1,0,0,0,0|1,0,1]=4 779 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [1,1,0,0,0,0|1,0,1]=4 784 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [1,1,0,0,0,0|0,0,2]=4 785 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [1,1,0,0,0,0|0,0,2]=4 786 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [1,1,0,0,0,0|0,0,2]=4 787 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [1,1,0,0,0,0|0,0,2]=4 788 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,1,0|2,0,0]=4 800 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,1,0|2,0,0]=4 801 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,1,0|2,0,0]=4 802 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,1,0|2,0,0]=4 803 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,1,0|2,0,0]=4 804 B10R1.14 COC(=O)C1=CC(O)=NN1 F30450 [0,1,0,0,1,0|2,0,0]=4 805 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,1,0,0,1,0|2,0,0]=4 806 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,1,0,0,1,0|2,0,0]=4 807 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,1,0,0,1,0|2,0,0]=4 808 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,1,0,0,1,0|2,0,0]=4 809 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,1,0|2,0,0]=4 810 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,1,0|2,0,0]=4 811 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,1,0|2,0,0]=4 812 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,1,0|2,0,0]=4 813 B10R1.14 COC(=O)C1=NNC(O)=C1 64189 [0,1,0,0,1,0|2,0,0]=4 814 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,1,0,0,1,0|2,0,0]=4 815 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,1,0,0,1,0|2,0,0]=4 816 B10R1.31 COC1=NOC(C(C)=O)=C1 98350 [0,1,0,0,1,0|2,0,0]=4 817 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,1,0,0,1,0|2,0,0]=4 818 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 O10303 [0,1,0,0,1,0|2,0,0]=4 819 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 C75701 [0,1,0,0,1,0|2,0,0]=4 820 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,1,0,0,1,0|2,0,0]=4 821 B10R1.194 CC(=O)C1=CNC(Br)=C1C S10057 [0,1,0,0,1,0|2,0,0]=4 822 B12R1.4 C#CC1=CN=C(NC(C)=O)C=C1 68736 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,1,0,0,0,1|1,0,0]=3 824 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,1,0,0,0,1|1,0,0]=3 825 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,1,0,0,0,1|1,0,0]=3 826 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,1,0,0,0,1|1,0,1]=4 827 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,1,0,0,0,1|0,0,0]=2 828 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,1,0,0,0,1|2,0,0]=4 829 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,1,0,0,0,1|2,0,0]=4 830 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,1,0,0,0,1|1,0,1]=4 832 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [0,1,0,0,0,1|0,0,0]=2 833 B12R1.19 CC(=O)NC1=CC(Br)=C(Cl)C=C1 W18000 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [0,1,0,0,0,1|0,0,0]=2 835 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [0,1,0,0,0,1|0,0,0]=2 836 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 24890 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.19 NC1=C(Br)C=C(CC(=O)O)C=C1 D78654 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A11218 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.19 NC1=C(N)C=C(CC(=O)O)C=C1 AB9013 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 CL9560 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,1,0,0,0,1|1,0,0]=3 843 B12R1.20 CC(=O)N(C)C1=CC=C(C)C=C1 D93545 [0,1,0,0,0,1|1,0,0]=3 844 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,1,0,0,0,1|1,0,1]=4 845 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,1,0,0,0,1|1,0,0]=3 849 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,1,0,0,0,1|1,0,0]=3 850 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,1,0,0,0,1|1,0,1]=4 851 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,1,0,0,0,1|2,0,0]=4 854 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,1,0,0,0,1|1,0,0]=3 860 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,1,0,0,0,1|1,0,0]=3 862 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,1,0,0,0,1|1,0,0]=3 863 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [0,1,0,0,0,1|1,0,1]=4 864 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,1,0,0,0,1|1,0,0]=3 866 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,1|1,0,0]=3 867 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,1,0,0,0,1|1,0,0]=3 868 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,1,0,0,0,1|0,0,0]=2 869 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 F19872 [0,1,0,0,0,1|1,1,0]=4 870 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F20087 [0,1,0,0,0,1|1,0,0]=3 874 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [0,1,0,0,0,1|1,0,1]=4 875 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [0,1,0,0,0,1|0,0,0]=2 876 B12R1.106 O=P([O-])([O-])OC1=CC=C(O)C=C1 C73842 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 C72216 [0,1,0,0,0,1|1,0,0]=3 878 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 N12745 [0,1,0,0,0,1|1,0,0]=3 879 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 71393 [0,1,0,0,0,1|1,0,0]=3 880 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 D96026 [0,1,0,0,0,1|1,0,0]=3 881 B12R1.233 CC1=C(CC(=O)O)C=CC(N)=C1 72069 [0,1,0,0,0,1|2,0,0]=4 882 B12R1.233 NC1=C(CC(=O)O)C=CC(Br)=C1 98287 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 CL8759 [0,1,0,0,0,1|1,0,0]=3 884 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 CL9173 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 F19828 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,2,0,0,0,0|1,0,1]=4 888 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,2,0,0,0,0|1,0,1]=4 890 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [0,2,0,0,0,0|0,0,0]=2 891 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 AB9723 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 87748 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 57139 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 94419 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 FD7395 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 68601 [0,2,0,0,0,0|1,0,1]=4 897 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 90186 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 P11291 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 F52806 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 RB3230 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [0,2,0,0,0,0|0,0,1]=3 902 B12R1.5 COC1=CC=C(C(=S)NN)C=C1 W10977 [0,2,0,0,0,0|1,1,0]=4 903 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.5 N#CC1=CC=C(C(=O)CO)C=C1 AC6010 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.6 C#CC1=CC=C(S(C)(=O)=O)C=C1 W10760 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 N11053 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.6 COC1=CC=C(P(=O)(O)O)C=C1 T72088 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.6 NS(=O)(=O)C1=CC=C(CO)C=C1 N16854 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 C72433 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 34118 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 C77389 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.48 CCC1=C(F)C=C(C(=O)O)C=C1 36886 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.48 CNC1=C(N)C=C(C(C)=O)C=C1 24155 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 C10744 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 P11632 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 N12277 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10287 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10288 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.48 COC1=COC(C(=O)O)=CC1=O A11938 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.48 COC1=NC=C(C(=O)O)C=C1C 72479 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 AB6375 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 95966 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 CL9384 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.48 O=C(O)C1=CC(F)=C(CBr)C=C1 C90464 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.48 O=C(O)C1=CC(F)=C(CO)C=C1 W10220 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.48 O=C(O)C1=CC(O)=C(CO)C=C1 D80533 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 AC1747 [0,2,0,0,0,0|1,0,1]=4 931 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 CL9202 [0,2,0,0,0,0|1,0,1]=4 932 B12R1.48 O=[N+]([O-])C1=CC(I)=C(CO)C=C1 W18242 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 D93345 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CL9094 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.113 CCOC1=CC=C(C(N)=S)C=C1 76923 [0,2,0,0,0,0|1,1,0]=4 936 B12R1.113 CCOC1=CC=C([C@H](C)O)C=C1 A12294 [0,2,0,0,0,0|0,0,2]=4 937 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 C77361 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 W15469 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 C75240 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20153 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=N1 C71589 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 D84331 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 C72515 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 31107 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 F31037 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10456 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10681 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.256 C[C@H](O)C1=CC=C(B(O)O)C=C1 33993 [0,2,0,0,0,0|0,0,2]=4 949 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 C77341 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 C71562 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.256 C[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 A12664 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.256 NC(=O)C1=NC=C(B(O)O)C=C1 FD10248 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 94898 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 C12929 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.256 O=C(O)C1=NC=C(B(O)O)C=C1 FD7237 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.452 CCC1=CC(F)=C(C(N)=O)C=C1 D79253 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.452 COC1=CC(C)=C(C(N)=O)C=C1 F15895 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [0,2,0,0,0,0|1,0,1]=4 959 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [0,2,0,0,0,0|1,0,1]=4 960 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [0,2,0,0,0,0|1,0,1]=4 961 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 O10984 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 75061 [0,2,0,0,0,0|0,0,0]=2 963 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11507 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11508 [0,2,0,0,0,0|1,0,1]=4 965 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y13370 [0,2,0,0,0,0|1,0,1]=4 966 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 S10425 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.452 COC1=CC(F)=C(C(=O)O)N=C1 80030 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10213 [0,2,0,0,0,0|1,0,1]=4 969 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10289 [0,2,0,0,0,0|1,0,1]=4 970 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y11913 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P11630 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 52087 [0,2,0,0,0,0|0,0,0]=2 973 B12R1.452 COC1=CC=C(C(=O)O)C(=O)N1 D80739 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.452 COC1=CC=C(C(=O)O)C(Br)=N1 O10693 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 89001 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 N17024 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.452 COC1=NC(C)=C(C(=O)O)C=C1 24363 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 F31118 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 75574 [0,2,0,0,0,0|1,1,0]=4 980 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 80126 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 CL9383 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 N10574 [0,2,0,0,0,0|1,0,1]=4 983 B12R1.452 O=CC1=CC(F)=C(C(=O)O)C=C1 D95103 [0,2,0,0,0,0|1,0,1]=4 984 B12R1.9 CC[S@](=N)(=O)C1=CC=C(Br)C=C1 W10956 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.9 CNS(=O)(=O)C1=CC=C(Cl)C=C1 S12303 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 D72514 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.9 COS(=O)(=O)C1=CC=C(Cl)C=C1 D93386 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.23 CC(C)(C)C1=CC(I)=C(O)C=C1 C74982 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.23 CC(C)(C)C1=CC(O)=C(O)C=C1 D77815 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.23 CC1=C(F)C=CC(S(C)(=O)=O)=C1 AC1328 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.23 CS(=O)(=O)C1=CC(Br)=C(F)C=C1 79749 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.23 CS(=O)(=O)C1=CC(F)=C(Br)C=C1 29976 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.23 CS(=O)(=O)C1=CC(N)=C(Br)C=C1 D82238 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 Y11305 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 34928 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 W17726 [0,2,0,0,0,0|1,0,0]=3 997 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 AT15468 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.56 CSC1=C(Cl)C=CC(C(=O)O)=C1 AR3416 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 CL9205 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 59544 [0,2,0,0,0,0|1,0,0]=3 1002 B12R1.56 N#CC1=CC(C(=O)O)=CN=C1O AC4208 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.232 CC(=O)C1=C(O)C=C(O)C(O)=C1 W17281 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.232 CC(=O)C1=CC(Br)=C(C)C=C1N 56175 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.232 CC(=O)C1=CC(Br)=C(F)C=C1O 58091 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.232 CC(=O)C1=CC(Br)=C(O)C=C1O Y13503 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1C C11047 [0,2,0,0,0,0|1,0,0]=3 1008 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1Cl W18042 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.232 CC(=O)C1=CC(Cl)=C(F)C=C1N AC1207 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.232 CC(=O)C1=CC(F)=C(Br)C=C1O W17159 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(O)=C1 W19041 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.232 CC1=C(F)C=C(C(=O)O)C(N)=C1 D78272 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.232 CC1=CC(Br)=C(N)C=C1C(=O)O 72855 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1N N10396 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1O AC5772 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.232 CC1=CC(C)=C(Br)C=C1C(=O)O N12774 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O N13250 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.232 CC1=CC(F)=C(Br)C=C1C(=O)O 79589 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1O 85911 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.232 NC1=C(C(=O)O)C=C(O)C(O)=C1 AB8031 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 34912 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O 34910 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.232 NC1=CC(Br)=C(F)C=C1C(=O)O 54728 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.232 NC1=CC(Br)=C(F)C=C1C(=O)O AC4169 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.232 NC1=CC(Cl)=C(F)C=C1C(=O)O CL9060 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.232 NC1=CC(F)=C(Cl)C=C1C(=O)O C74806 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.232 NC1=CC([N+](=O)[O-])=C(F)C=C1O D70008 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.232 O=C(O)C1=CC(Br)=C(Br)C=C1F AB10078 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1Cl W17792 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1F F14505 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.232 O=C(O)C1=CC(Br)=C(O)C=C1F W15314 [0,2,0,0,0,0|1,0,0]=3 1032 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1O 87142 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.232 O=C(O)C1=CC(Cl)=C(O)C=C1O 81000 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1O C73895 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1Cl C10866 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.367 CCC(=O)C1=CC(C)=C(F)C=C1 N14308 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.367 CCC(=O)C1=CC(F)=C(C)C=C1 N14054 [0,2,0,0,0,0|1,0,0]=3 1038 B12R1.367 CNC(=O)C1=CC(F)=C(N)C=C1 AB8036 [0,2,0,0,0,0|1,0,0]=3 1039 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=N1 D82594 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 89893 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 52415 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 27161 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 36387 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.367 COC(=O)C1=CC(Cl)=C(I)C=C1 71900 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 D74443 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 26246 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 D94492 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 27120 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=N1 D70929 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.367 COC(=O)C1=CC=C(N)C(Br)=N1 F30314 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=N1 A10575 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 C71741 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.367 COC(=O)C1=CN=C(Br)C(Cl)=C1 AT10809 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 W18451 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 C74015 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P14147 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 D71942 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 C72053 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 P13461 [0,2,0,0,0,0|1,0,0]=3 1060 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 O11955 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 P15512 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 27103 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.367 COC(=O)C1=NC(N)=C(Cl)C=C1 D80838 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 P10795 [0,2,0,0,0,0|1,0,0]=3 1065 B12R1.367 COC(=O)C1=NC=C(C)C(N)=C1 F18534 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 RB3263 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 CS1665 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 80144 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A11075 [0,2,0,0,0,0|0,0,0]=2 1070 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12589 [0,2,0,0,0,0|0,0,2]=4 1071 B12R1.367 O=C(CBr)C1=CC(F)=C(Cl)C=C1 D87891 [0,2,0,0,0,0|1,0,0]=3 1072 B12R1.367 O=C(CCl)C1=CC(F)=C(Br)C=C1 80196 [0,2,0,0,0,0|1,0,0]=3 1073 B12R1.893 CC(=O)C1=C(F)C(F)=C(Br)C=C1 95672 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.893 CC(=O)C1=CC=C(F)C(F)=C1Br 95669 [0,2,0,0,0,0|1,0,0]=3 1075 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1F F13685 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1N AC8749 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.893 CC1=C(C)C(C)=C(C(=O)O)C=C1 F11631 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.893 CC1=C(C)C(I)=C(C(=O)O)C=C1 87931 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 D95028 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1F A10576 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1N F16600 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F 24999 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.893 CC1=C(N)C(C)=C(C(=O)O)C=C1 93860 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C 34920 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.893 CC1=C(O)C=CC([N+](=O)[O-])=C1F AC1774 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.893 CC1=CC=C(C(=O)O)C(Cl)=C1Cl D86550 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.893 CC1=CC=C(C(=O)O)C(F)=C1I 55471 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1Br 54754 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.893 NC1=C(Br)C(Cl)=CC=C1C(=O)O Y13550 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O D80855 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.893 NC1=C(Cl)C(Cl)=CC=C1C(=O)O O10647 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.893 NC1=CC=C(C(=O)O)C(Cl)=C1F A10783 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 98179 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.893 O=C(O)C1=C(F)C(F)=C(I)C=C1 C75339 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.893 O=C(O)C1=C(O)C(F)=C(Br)C=C1 AT11230 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 53229 [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.893 O=C(O)C1=CC=C(Cl)C(Br)=C1Cl 36583 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F C10544 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.893 O=C(O)C1=CC=C(O)C(F)=C1F CK2226 [0,2,0,0,0,0|1,0,0]=3 1100 B12R1.893 O=C(O)C1=CC=C(O)C(O)=C1Cl F19892 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.893 O=[N+]([O-])C1=CC=C(O)C(Cl)=C1Cl F19867 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.893 O=[N+]([O-])C1=CC=C(O)C(Cl)=C1F AC1562 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.893 O=[N+]([O-])C1=CC=C(O)C(F)=C1Cl C13902 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.1005 CC(=O)C1=CC(Br)=C(N)C(Br)=C1 20787 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1N 34936 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 34977 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1C D94858 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N 34923 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br 55755 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1I C12877 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F 34916 [0,2,0,0,0,0|2,0,0]=4 1112 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 W17154 [0,2,0,0,0,0|1,0,0]=3 1113 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 CL9597 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 35062 [0,2,0,0,0,0|1,0,0]=3 1115 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,2,0,0,0,0|1,0,0]=3 1116 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|1,0,0]=3 1117 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [0,2,0,0,0,0|1,0,1]=4 1120 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [0,2,0,0,0,0|0,0,2]=4 1124 B12R1.1703 C=C(CO)C1=C(F)C=C(F)C=C1 D94514 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.1703 CC1=C(C(=O)NN)C=CC(Cl)=C1 D97392 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 D87870 [0,2,0,0,0,0|1,0,0]=3 1127 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 T70851 [0,2,0,0,0,0|1,0,0]=3 1128 B12R1.1703 CCC(=O)C1=C(F)C=C(Cl)C=C1 55949 [0,2,0,0,0,0|1,0,0]=3 1129 B12R1.1703 CCC(=O)C1=CN=C(Cl)C=C1Cl D79379 [0,2,0,0,0,0|2,0,0]=4 1130 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 75450 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 35420 [0,2,0,0,0,0|1,0,0]=3 1132 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=N1 BL008119 [0,2,0,0,0,0|2,0,0]=4 1133 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 F11974 [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=N1 85649 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.1703 COC(=O)C1=C(Br)C=C(O)C=C1 C90903 [0,2,0,0,0,0|0,0,0]=2 1136 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 D82510 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 F19913 [0,2,0,0,0,0|1,0,0]=3 1138 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=C1 F16760 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 C71884 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 O11963 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.1703 COC(=O)C1=C(C)NC(=O)C=C1 32384 [0,2,0,0,0,0|1,0,1]=4 1142 B12R1.1703 COC(=O)C1=C(Cl)C=C(C)C=C1 C90285 [0,2,0,0,0,0|1,0,0]=3 1143 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=N1 BL010110 [0,2,0,0,0,0|2,0,0]=4 1144 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=N1 BL010141 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)N=C1 C72055 [0,2,0,0,0,0|2,0,0]=4 1146 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 P12276 [0,2,0,0,0,0|1,0,0]=3 1147 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 O11966 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.1703 COC(=O)C1=C(I)C=C(C)C=C1 C90901 [0,2,0,0,0,0|1,0,0]=3 1149 B12R1.1703 COC(=O)C1=C(I)C=C(F)C=C1 W19258 [0,2,0,0,0,0|1,0,0]=3 1150 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 P18775 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br 27048 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Br Y11556 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl AC8698 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl 28017 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C 68238 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F 24406 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O 76668 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N F14180 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C S10377 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.1703 COC(=O)C1=NC=C(F)C=C1N 85648 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(O)C=C1 Y12208 [0,2,0,0,0,0|1,0,1]=4 1162 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(O)C=C1 Y12209 [0,2,0,0,0,0|1,0,1]=4 1163 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(F)C=C1 78988 [0,2,0,0,0,0|1,0,0]=3 1164 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 T70646 [0,2,0,0,0,0|0,0,0]=2 1165 B12R1.1703 O=C(CCl)C1=C(Br)C=C(Cl)C=N1 BL010234 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.1703 O=C(CCl)C1=C(F)C=C(Cl)C=C1 W16973 [0,2,0,0,0,0|1,0,0]=3 1167 B12R1.1703 O=C(CCl)C1=NC=C(Cl)C=C1F BL010227 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.1703 O=C(CO)C1=C(Cl)C=C(Cl)C=C1 AC4055 [0,2,0,0,0,0|1,0,0]=3 1169 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 D95188 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.57 CCC1=C(C(=O)O)C=CC(N)=C1 D70908 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.57 COC1=CC(Br)=CN=C1C(C)=O O10302 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.57 N#CC1=C(C(=O)O)C=CC(F)=C1 22725 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.57 NNC1=C(C(=O)O)C=CC(Br)=C1 Y14877 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.57 O=C(O)C1=C(CO)C=C(Br)C=C1 C76109 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.57 O=CC1=C(C(=O)O)C=CC(F)=C1 C71597 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.57 O=[N+]([O-])C1=C(CO)C=C(O)C=C1 TD1016 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.1000 CC(=O)C1=C(F)C=C(Br)C=C1O 80620 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.1000 CC(=O)C1=C(F)C=C(Cl)C=C1O C71371 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.1000 CC(=O)C1=C(F)C=C(F)C=C1N C73141 [0,2,0,0,0,0|1,0,0]=3 1180 B12R1.1000 CC1=CC(Br)=CC(Cl)=C1C(=O)O D86078 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.1000 CC1=CC(Br)=CC(F)=C1C(N)=O 90653 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.1000 CC1=CC(Cl)=CC(C)=C1C(=O)O N12990 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.1000 CC1=CC(Cl)=CC(Cl)=C1C(=O)O D96191 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.1000 CC1=CC(Cl)=CC(F)=C1C(=O)O 95590 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.1000 CC1=CC(F)=C(C(=O)O)C(F)=C1 22738 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.1000 CC1=CC(O)=CC(O)=C1C(=O)O C75284 [0,2,0,0,0,0|1,0,0]=3 1187 B12R1.1000 NC1=CC(Br)=CC(Br)=C1C(=O)O 25210 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.1000 NC1=CC(F)=C(C(=O)O)C(F)=C1 F14513 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.1000 O=C(O)C1=C(Cl)C=C(O)C=C1Cl C15827 [0,2,0,0,0,0|1,0,0]=3 1190 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1O AT11231 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1O 86984 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.1000 O=[N+]([O-])C1=C(F)C=C(O)C=C1F 21065 [0,2,0,0,0,0|2,0,0]=4 1193 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [1,0,0,1,0,0|1,0,1]=4 1194 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [1,0,0,1,0,0|1,0,1]=4 1195 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,0]=2 1196 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 27371 [0,0,0,1,0,1|2,0,0]=4 1197 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 33909 [0,0,0,1,0,1|2,0,0]=4 1198 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 P15438 [0,0,0,1,0,1|2,0,0]=4 1199 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 P11525 [0,0,0,1,0,1|2,0,0]=4 1200 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 F21500 [0,0,0,1,0,1|0,0,1]=3 1201 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [0,0,0,1,0,1|2,0,0]=4 1202 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 F15069 [0,0,0,1,0,1|1,1,0]=4 1203 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 W17343 [0,0,0,1,0,1|2,0,0]=4 1204 B12R2.606 CC1=NC2=C(C=CC(I)=C2)S1 68181 [0,0,0,1,0,1|2,0,0]=4 1205 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 78609 [0,0,0,1,0,1|2,0,0]=4 1206 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 C75100 [0,0,0,1,0,1|1,0,0]=3 1207 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 I10199 [0,0,0,1,0,1|1,0,0]=3 1208 B12R2.606 CN1C=C2C=C(O)C=CC2=N1 D83262 [0,0,0,1,0,1|2,0,0]=4 1209 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,0,0,1,0,1|1,0,0]=3 1210 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [0,0,0,1,0,1|1,0,0]=3 1211 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 AB8010 [0,0,0,1,0,1|1,1,0]=4 1212 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 C75402 [0,0,0,1,0,1|2,0,0]=4 1213 B12R2.606 NC1=NC2=C(C=CC(O)=C2)S1 P10163 [0,0,0,1,0,1|2,0,0]=4 1214 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,0,0,1,0,1|1,0,0]=3 1215 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,0,0,1,0,1|1,0,0]=3 1216 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,0,0,1,0,1|2,0,0]=4 1217 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,0,0,1,0,1|1,0,0]=3 1218 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 37498 [0,0,0,1,0,1|2,0,0]=4 1219 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 38150 [0,0,0,1,0,1|2,0,0]=4 1220 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 27366 [0,0,0,1,0,1|2,0,0]=4 1221 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 27626 [0,0,0,1,0,1|2,0,0]=4 1222 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 F18613 [0,0,0,1,0,1|2,0,0]=4 1223 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,0,0,1,0,1|2,0,0]=4 1224 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,0,0,1,0,1|2,0,0]=4 1225 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,0,0,1,0,1|2,0,0]=4 1226 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,0,0,1,0,1|1,0,0]=3 1227 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,0,0,1,0,1|1,0,0]=3 1228 B12R2.606 OC1=CC2=C(C=C1)N=C(S)N2 W18405 [0,0,0,1,0,1|1,1,0]=4 1229 B12R2.606 OC1=CC2=C(C=C1)SC(Cl)=N2 C72085 [0,0,0,1,0,1|2,0,0]=4 1230 B12R2.9 OCC1=CC=C(C2CC2)C=C1 51967 [0,1,0,1,0,0|1,0,1]=4 1231 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 67661 [0,1,0,1,0,0|2,0,0]=4 1232 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,1,0,0|1,0,0]=3 1233 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 66309 [0,1,0,1,0,0|2,0,0]=4 1234 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 50641 [0,1,0,1,0,0|2,0,0]=4 1235 B12R2.612 CC1=CNC2=C1C=CC(Cl)=C2 82345 [0,1,0,1,0,0|2,0,0]=4 1236 B12R2.612 CC1=CNC2=C1C=CC(F)=C2 D97643 [0,1,0,1,0,0|2,0,0]=4 1237 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 P11526 [0,1,0,1,0,0|2,0,0]=4 1238 B12R2.612 CC1=NNC2=C1C=CC(F)=C2 I11286 [0,1,0,1,0,0|2,0,0]=4 1239 B12R2.612 CC1=NNC2=C1C=CC(I)=C2 38777 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 F14443 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 26833 [0,1,0,1,0,0|2,0,0]=4 1242 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 20323 [0,1,0,1,0,0|2,0,0]=4 1243 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,1,0,0|1,0,1]=4 1244 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|1,0,0]=3 1245 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,1,0,0|2,0,0]=4 1246 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,1,0,0|1,0,0]=3 1247 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,1,0,1,0,0|1,0,0]=3 1248 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 83999 [0,1,0,1,0,0|2,0,0]=4 1249 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 52917 [0,1,0,1,0,0|2,0,0]=4 1250 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,1,0,1,0,0|2,0,0]=4 1251 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,1,0,1,0,0|2,0,0]=4 1252 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [0,1,0,1,0,0|2,0,0]=4 1253 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,1,0,1,0,0|1,0,1]=4 1254 B12R2.612 OC1=CC2=C(C=C1)C(Br)=NN2 F52085 [0,1,0,1,0,0|2,0,0]=4 1255 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,1,0|2,0,0]=4 1256 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,1,0|2,0,0]=4 1257 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,1,0|2,0,0]=4 1258 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,1,0|2,0,0]=4 1259 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,1,0|2,0,0]=4 1260 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,0,0,0,1,0|2,0,0]=4 1261 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,0,0,0,1,0|2,0,0]=4 1262 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,1,0|2,0,0]=4 1263 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,1,0|2,0,0]=4 1264 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,1,0|2,0,0]=4 1265 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,1,0|2,0,0]=4 1266 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,1,0|2,0,0]=4 1267 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,1,0|2,0,0]=4 1268 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,1,0|2,0,0]=4 1269 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,1,0|2,0,0]=4 1270 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,1,0|2,0,0]=4 1271 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,1,0|2,0,0]=4 1272 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,0,0,0,0,1|2,0,0]=4 1273 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,0,1|1,0,0]=3 1274 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,0,1|0,0,0]=2 1275 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,0,0,0,0,1|2,0,0]=4 1276 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,0,0,0,0,1|1,1,0]=4 1277 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,0,0,0,0,2|1,0,0]=3 1278 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,0,0,0,0,2|1,0,0]=3 1279 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,0,0,0,0,2|1,0,0]=3 1280 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,0,0,0,0,2|2,0,0]=4 1281 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,0,0,0,0,2|2,0,0]=4 1282 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,0,0,0,0,2|2,0,0]=4 1283 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,0,0,0,0,2|1,1,0]=4