0 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.166 CC(=O)C1=CNC(=O)N=C1C S10254 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 CC(=O)C1=NC=C(Cl)N=C1Cl 58574 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.166 CC(C)C1=C(Br)C=C(Cl)C=C1 F21471 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(C)C1=C(F)C=C(Br)C=C1 F52298 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 56645 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.166 CC1=CC(Br)=C(C(C)C)C=C1 AT26576 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14911 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14912 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14913 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 N12239 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81539 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81617 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [0,0,0,0,0,0|1,0,2]=3 22 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.166 CC1=CC(I)=NC=C1[N+](=O)[O-] 80259 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=N1 P19552 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.166 CC1=CC=C(C(C)C)C(N)=N1 AT11138 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.166 CC1=CN=C([N+](=O)[O-])C(O)=C1 C14891 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 C[C@H](Br)C1=C(F)C=C(F)C=C1 C77556 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 N12749 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 N13113 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 F16902 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11374 [0,0,0,0,0,0|2,0,2]=4 35 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11378 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.166 N=C(N)C1=C(Cl)C=C(Br)C=C1 D86997 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 92721 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 C14169 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.166 N=C(N)C1=C(F)C=C(O)C=C1 D87625 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.166 NC(=O)C1=C(N)N=C(F)C=C1 F20285 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.166 NC(=O)C1=NC=C(Br)C=C1Cl AC3839 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.25 CC1=C(C#N)C=CC(S)=C1 AT20986 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 53823 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,0,0,0,0,0|1,0,2]=4 77 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,0,0,0,0,0|1,0,2]=4 80 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,0,0,0,0,0|1,0,2]=4 81 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.25 CNC1=CN=C(Br)C=C1C 96211 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.25 CNC1=CN=C(Cl)C=C1C 96215 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.25 COC1=NC=C(C)C=C1N D74381 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.25 O=CC1=C(Cl)C=C(F)C=N1 BL010213 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,0,0,0,0,0|1,0,1]=3 113 B10R1.61 CC1=C(P(Cl)Cl)C=CC=C1 AC9855 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [1,0,0,0,0,0|2,0,0]=3 123 B12R1.57 CC(=O)C1=C(C#N)C=C(F)C=C1 F13350 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.57 CC1=CC(CBr)=C([N+](=O)[O-])C=C1 C13541 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.57 CC1=CC(CO)=C(B(O)O)C=C1 D71435 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.57 CCC1=C(C(C)=O)C=CC(O)=C1 D88175 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.57 CNC1=C(C(=O)O)C=CC(Br)=C1 D87579 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.57 CNC1=C(C(=O)O)C=CC(Cl)=C1 C15968 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.57 CNC1=C(C(=O)O)C=CC(F)=C1 S11455 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.57 CNC1=CC(Cl)=NC=C1C(=O)O AT15547 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 AT19378 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.57 COC1=C(C(=O)O)C=NC(C)=N1 AT18392 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=N1 N13947 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 W17789 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.57 COC1=C(C(N)=O)C=CC(N)=C1 92906 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.57 COC1=C([C@H](C)N)C=CC(F)=C1 N13112 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.57 CSC1=C(B(O)O)C=CC(C)=C1 D71761 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.57 CSC1=C(C(=O)O)C=CC(Br)=C1 AT10168 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.57 CSC1=C([N+](=O)[O-])C=CC(F)=C1 AT23031 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.57 NC1=CC(CO)=C([N+](=O)[O-])C=C1 O10122 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.57 NCC1=C([N+](=O)[O-])C=CC(Cl)=C1 N13016 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.57 NCC1=C([N+](=O)[O-])C=CC(F)=C1 N12921 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.57 O=[N+]([O-])C1=C(CCl)C=C(F)C=C1 P17856 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.126 CC1=C(S(C)(=O)=O)C=CC(F)=N1 AT23710 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.126 CC1=C(S(N)(=O)=O)C=CC(N)=C1 AT23139 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.126 CC1=CC(Br)=C(S(=O)(=O)Cl)C=C1 AT13513 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.126 CC1=CC(Cl)=C(S(=O)(=O)Cl)C=C1 C15981 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.126 CS(=O)(=O)C1=C(F)C=C(O)C=C1 94986 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.232 CC(=O)C1=CC(Cl)=C(Br)C=C1F AT21947 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.232 CC(=O)C1=CC(Cl)=C(F)C=C1O P18161 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.232 CC(=O)C1=CC(Cl)=C(O)C=C1O AT18320 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.232 CC(=O)C1=CC(F)=C(Br)C=C1F 34098 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.232 CC(=O)C1=CC(F)=C(O)C=C1O AT18317 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.232 CC1=C(Br)C=C(N)C(C(=O)O)=C1 AT14637 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.232 CC1=C(F)C=C(C(=O)O)C(Cl)=N1 92225 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.232 CC1=C(F)C=C(N)C(C(=O)O)=C1 Y11640 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.232 CC1=C(F)C=C([N+](=O)[O-])C(N)=C1 22784 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.232 CC1=C(F)C=C([N+](=O)[O-])C(O)=C1 55943 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1Br E10199 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.232 CC1=CC(Br)=C([N+](=O)[O-])C=C1Br C74097 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1N 97574 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1N 53489 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.232 CC1=CC(C)=C(F)C=C1[N+](=O)[O-] N12936 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.232 CC1=CC(Cl)=C(Br)C=C1C(=O)O W19669 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1O O10736 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.232 CC1=CC(Cl)=C(I)C=C1C(=O)O AT12520 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.232 CC1=CC(Cl)=C(O)C=C1[N+](=O)[O-] 55545 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.232 CC1=CC(F)=C(O)C=C1[N+](=O)[O-] 89269 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.232 CC1=CC(F)=C([N+](=O)[O-])C=C1O AC3261 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.232 CN1C=C(Br)C(C(=O)O)=CC1=O D73951 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.232 NC(=O)C1=CC(F)=C(Cl)C=C1F E72180 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.232 NC(=O)C1=CC(F)=C(F)C=C1F C78638 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.232 NC1=C(Cl)C=C(C(=O)O)C(O)=C1 AC5568 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.232 NC1=CC(F)=C(O)C=C1C(=O)O 83942 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.232 O=C(O)C1=C(I)C=C(Br)C(Cl)=C1 70146 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.232 O=C(O)C1=CC(Br)=C(Br)C=C1Br 70145 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl F53436 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1O AT11228 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1O AT11227 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.452 CC(=O)C1=C(Cl)C=C(C#N)C=C1 52167 [0,1,0,0,0,0|1,0,1]=3 181 B12R1.452 CC1=C(B(O)O)C=CC(CO)=C1 D71505 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.452 CC1=C([N+](=O)[O-])C=CC(CO)=N1 AC3948 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.452 CC1=CC(C#N)=CN=C1C(=O)[O-] A12221 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.452 CC1=CC(C#N)=CN=C1C(=O)[O-] W11692 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.452 CCC1=CC(C)=C([N+](=O)[O-])C=C1 W19433 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.452 CCC1=CC(O)=C([N+](=O)[O-])C=C1 F13833 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.452 COC1=CC(Br)=C(C(C)C)C=C1 E71918 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.452 COC1=CC(F)=C(C(=O)O)C=N1 N17087 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 P10295 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 F15890 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.452 COC1=NC(C)=C(C(=O)O)C=N1 AT18400 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 Y10543 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.452 C[C@H](N)C1=C(F)C=C(CO)C=C1 N14658 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.452 N#CC1=CC(F)=C(C(=O)Cl)C=C1 58517 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.452 NCC1=CC(Br)=C([N+](=O)[O-])C=C1 O10076 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.452 O=C(O)C1=C(F)C=C(CBr)C=C1 D95479 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.452 O=CC1=CC(Br)=C(C(=O)O)C=C1 R10022 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.452 O=[N+]([O-])C1=C(Cl)C=C(CO)C=C1 A50673 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.893 CC(=O)C1=C(C)C(C)=C(O)C=C1 95925 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.893 CC(=O)C1=C(Cl)C(C)=C(F)C=C1 AT15825 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.893 CC1=C(Br)C(C)=C(C(=O)O)C=N1 AC9442 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1F AT11325 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.893 CC1=C(C)C(C)=C(C(=O)O)C=N1 F53832 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.893 CC1=C(C)C(Cl)=C([N+](=O)[O-])C=C1 AC6291 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.893 CC1=C([N+](=O)[O-])C=CC(F)=C1N AT24270 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.893 CC1=C([N+](=O)[O-])C=CC(N)=C1N AC4697 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.893 CC1=C([N+](=O)[O-])C=CC(O)=C1Br AT25585 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.893 CC1=CC=C(C(=O)O)C(C)=C1Cl D86545 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1F 97753 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.893 CC1=CC=C([N+](=O)[O-])C(C)=C1Cl C90909 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.893 CC1=CC=C([N+](=O)[O-])C(C)=C1I AC9811 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.893 CC1=CC=C([N+](=O)[O-])C(Cl)=C1Cl D96303 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.893 CC1=CC=C([N+](=O)[O-])C(Cl)=C1N AT15699 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.893 CC1=CC=C([N+](=O)[O-])C(F)=C1Br C90914 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.893 CC1=NC=C(C(=O)O)C(I)=C1Br F18390 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1F 53899 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.893 O=C(O)C1=C(F)C(O)=C(Br)C=C1 AT11234 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1F D86538 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Br 93548 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.893 O=C(O)C1=CC=C(F)C(O)=C1Br AT11238 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.893 O=C([O-])C1=CC=C(F)C(F)=C1F CK2200 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.1000 CC(=O)C1=C(Br)C=C(Br)C=C1O 93704 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.1000 CC(=O)C1=C(Br)C=C(F)C=C1Br 94049 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.1000 CC(=O)C1=C(Cl)C=C(Br)C=C1F 88210 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.1000 CC(=O)C1=C(Cl)C=C(Cl)N=C1Cl F13137 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.1000 CC(=O)C1=C(F)C=C(I)C=C1F 93672 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.1000 CC(=O)C1=C(F)C=C(O)C=C1F AC4047 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.1000 CC1=CC(Br)=CC(C)=C1N(C)C 76906 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.1000 CC1=CC(C)=C(C(=O)[O-])C(C)=C1 D89560 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 E71773 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.1000 CC1=CC(C)=NC(N)=C1C(N)=O AT23977 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.1000 CC1=CC(C)=NC(N)=C1[N+](=O)[O-] D75047 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 93339 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=N1 C75632 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.1000 CC1=CC(Cl)=CC(I)=C1C(=O)O 55380 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.1000 CC1=CC(F)=C([N+](=O)[O-])C(C)=C1 AT24272 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.1000 CC1=CC(F)=CC(Br)=C1[N+](=O)[O-] C90820 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.1000 CC1=CC(F)=CC(F)=C1C(=O)O 97410 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.1000 CC1=CC(F)=CC(I)=C1C(=O)O 55384 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.1000 CC1=CC(N)=CC(C)=C1[N+](=O)[O-] AC8335 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(=O)N1 D75290 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 95585 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.1000 CC1=NC(O)=CC(O)=C1C(=O)O F20291 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.1000 NC(=O)C1=C(Br)C=C(Br)C=C1F F17851 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.1000 NC(=O)C1=C(F)C=C(N)C=C1F 92903 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.1000 NC(=O)C1=C(F)C=C(N)C=C1F 92904 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.1000 NC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 51298 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.1000 NC1=CC(F)=CC(Cl)=C1C(=O)O E72075 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1F F18335 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.1000 O=C(O)C1=C(Br)C=C(Cl)C=C1F AT10675 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.1000 O=C(O)C1=C(Br)C=C(F)C=C1Cl AT10674 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.1000 O=C(O)C1=C(Cl)C=C(I)C=C1Cl CS2697 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 93673 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13753 [0,1,0,0,0,0|1,0,1]=3 255 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13754 [0,1,0,0,0,0|1,0,1]=3 256 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13755 [0,1,0,0,0,0|1,0,1]=3 257 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13768 [0,1,0,0,0,0|1,0,1]=3 258 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13769 [0,1,0,0,0,0|1,0,1]=3 259 B12R1.1703 CC1=CC(C)=C([C@@H](O)CN)C=C1 C77862 [0,1,0,0,0,0|0,0,2]=3 260 B12R1.1703 CC1=CC(C)=C(\C(N)=N\O)C=C1 92953 [0,1,0,0,0,0|1,0,1]=3 261 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13631 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13632 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13633 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.1703 CC1=CC(Cl)=C(\C(N)=N\O)C=C1 92955 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13557 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13558 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13559 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.1703 CC1=CC(F)=C(\C(N)=N\O)C=C1 92956 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.1703 CCC(=O)C1=C(Br)C=C(Br)C=C1 N14094 [0,1,0,0,0,0|2,0,0]=3 270 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,1,0,0,0,0|0,0,0]=1 271 B12R1.1703 CCC(=O)C1=C(C)C=C(O)C=C1 91379 [0,1,0,0,0,0|1,0,0]=2 272 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 98264 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.1703 CCC(=O)C1=C(Cl)C=C(C)C=C1 N14082 [0,1,0,0,0,0|1,0,0]=2 274 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,1,0,0,0,0|1,0,0]=2 275 B12R1.1703 CCC(=O)C1=C(O)C=C(Cl)C=C1 98266 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 N12160 [0,1,0,0,0,0|1,0,1]=3 277 B12R1.1703 CC[C@H](O)C1=C(C)C=C(C)C=C1 N14425 [0,1,0,0,0,0|0,0,2]=3 278 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 92895 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.1703 COC(=O)C1=C(C)OC(=O)C=C1 C16199 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 D74278 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.1703 COC(=O)C1=C(S)C=C(Cl)C=C1 AT20785 [0,1,0,0,0,0|2,0,0]=3 282 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Br F17566 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.1703 C\C(=N/O)C1=C([Pd+])C=C(O)C=C1 T70903 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.1703 O=C(CBr)C1=C(Br)C=C(Cl)C=C1 96292 [0,1,0,0,0,0|2,0,0]=3 285 B12R1.1703 O=C(CBr)C1=NC=C(Cl)C=C1Cl A10726 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(F)C=N1 BL010220 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.1703 O=C(CCl)C1=C(O)C=C(F)C=C1 AC4164 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.1703 O=C(CO)C1=C(Cl)C=C(Br)C=C1 AC4519 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.1703 O=C(CO)C1=C(F)C=C(Br)C=C1 AC4523 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.1703 O=C(CO)C1=C(F)C=C(F)C=C1 AC4317 [0,1,0,0,0,0|2,0,0]=3 291 B12R1.1703 O=C(NO)C1=C(Br)C=C(Cl)C=C1 96293 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 75347 [0,1,0,0,0,0|2,0,1]=4 293 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,0,0,1,0,0|1,0,0]=2 294 B12R2.612 CC1=CC2=C(C=C1)C(Br)=NN2 P10511 [0,0,0,1,0,0|3,0,0]=4 295 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NN2 C16594 [0,0,0,1,0,0|3,0,0]=4 296 B12R2.612 CC1=CC2=C(C=C1)C(N)=NN2 90926 [0,0,0,1,0,0|3,0,0]=4 297 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,0,0,1,0,0|1,0,1]=3 298 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N11326 [0,0,0,1,0,0|2,0,1]=4 299 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16521 [0,0,0,1,0,0|2,0,1]=4 300 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16523 [0,0,0,1,0,0|2,0,1]=4 301 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [0,0,0,1,0,0|3,0,0]=4 302 B12R2.612 CC1=NSC2=C1C=CC(Br)=C2 E72372 [0,0,0,1,0,0|3,0,0]=4 303 B12R2.612 CC1=NSC2=C1C=CC(N)=C2 E72373 [0,0,0,1,0,0|3,0,0]=4 304 B12R2.612 ClC1=CC2=C(C=C1)[C@@H](Br)CC2 AT21847 [0,0,0,1,0,0|2,0,1]=4 305 B12R2.612 Cl[C@H]1CCC2=C1C=CC(Br)=C2 O11349 [0,0,0,1,0,0|2,0,1]=4 306 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 69968 [0,0,0,1,0,0|2,0,1]=4 307 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F16940 [0,0,0,1,0,0|2,0,1]=4 308 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11252 [0,0,0,1,0,0|2,0,1]=4 309 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,0,0,1,0,0|2,0,0]=3 310 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,0,0,1,0,0|1,0,0]=2 311 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [0,0,0,1,0,0|2,0,1]=4 312 B12R2.612 O=C1ONC2=C1C=CC(Br)=C2 D78660 [0,0,0,1,0,0|3,0,0]=4 313 B12R2.1317 CC1=CC(C)=C(C2CC2)C=C1 AC9569 [0,0,0,1,0,0|1,0,1]=3 314 B10R1.59 CC(=O)C1=C(C)NC(=O)N1 F18115 [0,0,0,0,1,0|3,0,0]=4 315 B10R1.59 CC(=O)C1=CC(N)=CN1C 97921 [0,0,0,0,1,0|2,0,0]=3 316 B10R1.59 CC(=O)C1=NN(C)C=C1C AT13574 [0,0,0,0,1,0|2,0,0]=3 317 B10R1.59 CC(=O)C1=NN(C)C=C1N W12223 [0,0,0,0,1,0|3,0,0]=4 318 B10R1.59 CC1=CC(C(=O)O)=C(Br)S1 92997 [0,0,0,0,1,0|3,0,0]=4 319 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,0,0,0,1,0|2,0,0]=3 320 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,0,0,0,1,0|2,0,0]=3 321 B10R1.59 CC1=CN(C)C=C1C(=O)O AT10393 [0,0,0,0,1,0|2,0,0]=3 322 B10R1.59 CC1=CN(C)N=C1C(=O)O AT14198 [0,0,0,0,1,0|3,0,0]=4 323 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 AT15391 [0,0,0,0,1,0|3,0,0]=4 324 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 AT21448 [0,0,0,0,1,0|3,0,0]=4 325 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 71437 [0,0,0,0,1,0|2,0,0]=3 326 B10R1.194 CC1=C(C)C(C(=O)O)=NN1 O11128 [0,0,0,0,1,0|3,0,0]=4 327 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,0,0,0,1,0|2,0,0]=3 328 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [0,0,0,0,1,0|3,0,0]=4 329 B12R1.233 C=C(C)OC1=C(C)C=C(Cl)C=C1 H11070 [0,0,0,0,0,1|2,0,0]=3 330 B12R1.233 CC(=O)CC1=C(Cl)C=C(F)C=C1 F30166 [0,0,0,0,0,1|2,0,0]=3 331 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,0,0,0,0,1|2,0,0]=3 332 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 C13349 [0,0,0,0,0,1|1,0,0]=2 333 B12R1.233 CC(=O)NC1=C(C)C=C(C)N=C1 F17997 [0,0,0,0,0,1|1,0,0]=2 334 B12R1.233 CC(=O)NC1=C(I)C=C(F)C=C1 AT19905 [0,0,0,0,0,1|2,0,0]=3 335 B12R1.233 CC(=O)NC1=CC=C(Cl)N=C1I F51674 [0,0,0,0,0,1|3,0,0]=4 336 B12R1.233 CC(=O)NC1=CN=C(Br)C=C1C F18384 [0,0,0,0,0,1|2,0,0]=3 337 B12R1.233 CC(=O)NC1=CN=C(Cl)C=C1C D87663 [0,0,0,0,0,1|2,0,0]=3 338 B12R1.233 CC(=O)OC1=C(F)C=C(Br)C=C1 AT14688 [0,0,0,0,0,1|2,0,0]=3 339 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [2,0,0,0,0,0|1,0,0]=3 344 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [2,0,0,0,0,0|1,0,1]=4 345 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [2,0,0,0,0,0|0,0,1]=3 346 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [2,0,0,0,0,0|1,0,1]=4 347 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.15 CCC1=CC=CN=C1C 75814 [2,0,0,0,0,0|1,0,1]=4 349 B9R1.15 COC1=C(C)C=NC=C1 D74380 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.15 O=CC1=CNC=CC1=O O11278 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [2,0,0,0,0,0|1,1,0]=4 359 B9R1.69 CC1=CC(Br)=COC1=O E71746 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [2,0,0,0,0,0|1,1,0]=4 361 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [2,0,0,0,0,0|2,0,0]=4 365 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [1,1,0,0,0,0|0,0,0]=2 366 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [1,1,0,0,0,0|1,1,0]=4 368 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [1,1,0,0,0,0|0,0,2]=4 376 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [1,1,0,0,0,0|0,0,2]=4 377 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 F13271 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 95895 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT17933 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C14784 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F52062 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 FD1163 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O10169 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10983 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13714 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13756 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15718 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15764 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15884 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15911 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16530 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16531 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [1,1,0,0,0,0|0,0,2]=4 404 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11249 [1,1,0,0,0,0|1,0,1]=4 405 B11R1.21 CC1=C(O)C=C([C@H](C)N)C=C1 N14772 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [1,1,0,0,0,0|0,0,0]=2 411 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [1,1,0,0,0,0|0,0,0]=2 412 B11R1.22 CC1=CC=C(C(=S)NN)C=C1 W10974 [1,1,0,0,0,0|1,1,0]=4 413 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [1,1,0,0,0,0|1,0,1]=4 417 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [1,1,0,0,0,0|0,0,2]=4 420 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.22 CC1=CN=C(C(=O)CBr)N=C1 F50744 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.22 CC1=CN=C(\C(C)=N\O)C=C1 AB10298 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.37 C=CC1=C(OC)C=C(Br)C=C1 88322 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.37 CNC1=CC(Cl)=NC=C1C=O AT15841 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.37 COC1=C(CN)C=C(F)C=C1 N12248 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.37 O=CC1=C(CBr)C=C(Br)C=C1 F20272 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.81 O=CCC1=C(Cl)C=C(Cl)C=C1 C15524 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.277 CC1=C(Br)C=C(C=O)C(O)=C1 W17313 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.277 CC1=C(Br)C=C(O)C(C=O)=C1 W17315 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.277 CC1=CC(Br)=C(C=O)C=C1O D87700 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.277 CC1=CC(C=O)=C(Cl)C=C1Cl 90157 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.277 CC1=CC(C=O)=C(Cl)C=C1F 97117 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.277 CC1=CC(Cl)=C(C)C=C1C=O 34577 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.277 CC1=CC(N=O)=C(C)C=C1O F20968 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.277 CCC1=CC(N)=C(C)C=C1C C14445 [1,1,0,0,0,0|0,0,1]=3 454 B11R1.277 COC1=C(C)C=C(N)C(C)=C1 CL9499 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.277 COC1=CC(I)=C(C)C=C1Cl F14415 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.277 NC1=CC(Br)=C(Br)C=C1C=O C14965 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.277 NC1=CC(Br)=C(F)C=C1C=O 97217 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.277 NC1=CC(Cl)=C(Br)C=C1C=O F15867 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.277 O=CC1=C(Br)C=C(F)C(O)=C1 95031 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.277 O=CC1=CC(Br)=C(F)C=C1Br C90911 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.277 O=CC1=CC(Cl)=C(F)C=C1O 97451 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.277 O=CC1=CC(Cl)=C(O)C=C1Cl F17590 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.277 O=CC1=CC(I)=C(F)C=C1F AT26754 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.277 O=CC1=CC(I)=C(O)C=C1O C14564 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.278 CC1=C(Br)C=CC(C=O)=C1C 97129 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.278 CC1=C(C=O)C=CC(F)=C1Br D96244 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.278 CC1=C(Cl)C=CC(C=O)=C1N F15853 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.278 CC1=CC=C(C=O)C(F)=C1Cl 55485 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.278 CC1=CC=C(C=O)C(F)=C1I 55467 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.278 O=CC1=C(F)C(Cl)=C(Br)C=C1 AT13421 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.278 O=CC1=C(F)C(F)=C(Cl)C=C1 CL9240 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.278 O=CC1=CC=C(Cl)C(F)=C1Br 93550 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.278 O=CC1=CC=C(F)C(Cl)=C1Cl 97120 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.279 COC1=CC(C)=C(NN)C=C1 D87953 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.279 COC1=NC(N)=C(C=O)C=C1 66190 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.279 CSC1=C(C)C=C(CN)C=C1 AT20988 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.279 O=CC1=CC(Br)=C(C=O)C=C1 AB10136 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.464 CC1=CC(O)=C(CN)C(C)=C1 D87611 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.464 COC1=C(O)C=C(Br)C=C1C AT22245 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.464 O=CC1=C(Br)C=C(Cl)C=C1O 53836 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.464 O=CC1=C(Cl)C=C(I)C=C1Cl 93331 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.53 C=C(Br)C1=C(OC)C=CC=C1 F18312 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.53 CC(C)C1=C(CCl)C=CC=C1 E72192 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.53 CCC1=C(C(C)=O)C=CN=C1 CL0371 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.53 CCC1=C(C(N)=S)C=CC=C1 F13433 [1,1,0,0,0,0|1,1,0]=4 491 B11R1.53 COC1=C(C(N)=O)C=CC=N1 D87306 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.53 COC1=CC=CN=C1C(N)=O D87880 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.53 CSC1=C(C(=O)O)N=CC=C1 AT16224 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 Y13010 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.53 N#CC1=C(C(=O)Cl)C=CC=C1 D87858 [1,1,0,0,0,0|1,0,1]=4 496 B11R1.53 N#CC1=C(C(N)=O)C=CC=C1 T70416 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.53 O=C(O)C1=NC=CC=C1CO D77137 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.53 O=C([O-])C1=NC=CC=C1CO AT20000 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.87 C[S@](=N)(=O)C1=C(Br)C=CC=C1 AT11347 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.87 C[S@](=N)(=O)C1=C(Cl)C=CC=C1 AT11351 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.87 C[S@](=N)(=O)C1=C(F)C=CC=C1 AT11350 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N C75622 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.156 CC(=O)C1=C(Br)C=CN=C1Cl 55294 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.156 CC1=CC=CC(Br)=C1C(N)=O F13400 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N AT12995 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.156 CC1=CC=CC(Cl)=C1C(=N)N F13421 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.156 CC1=CC=CC(I)=C1C(=O)O 81915 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.156 CC1=CN=CC(Br)=C1C(=O)O 51801 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.156 CC1=CN=CC(N)=C1C(=O)O W11192 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O C16695 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.156 NC(=O)C1=C(Br)C=CC=C1N AC2939 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.156 NC(=O)C1=C(F)C=CC=C1O C13392 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.156 NC1=CC=CC(O)=C1C(=O)O 26442 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.156 O=C(Cl)C1=C(I)C=CC=C1Cl F20996 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.159 C=C(C)C1=C(N)C(C)=CC=C1 F18673 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.159 CC(=O)C1=C(C)C(N)=CC=C1 O10268 [1,1,0,0,0,0|0,0,0]=2 517 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 C76227 [1,1,0,0,0,0|0,0,0]=2 518 B11R1.159 CC(=O)C1=C(F)C(Cl)=NC=C1 AT26683 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.159 CC(=O)C1=CC=CC(O)=C1F AT11003 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 93043 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.159 CC1=C(O)C=CN=C1C(=O)O C11063 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl D87582 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.159 CC1=CC=CC(C(N)=O)=C1O AC4144 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.159 CC1=CC=CC([C@H](C)N)=C1C N12727 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 F12396 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.159 NC(=O)C1=CC=CC(S)=C1Cl 92372 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [1,1,0,0,0,0|0,0,0]=2 532 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N13305 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1F AT18807 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1N 92761 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.167 CC1=C(C(=N)N)C=C(F)C=C1 S11570 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.167 CC1=C(C(=O)Cl)C=C(Br)C=C1 C15328 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N12153 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.167 O=C(Cl)C1=C(F)C=CC(Br)=C1 F17494 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 AC5820 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [1,1,0,0,0,0|0,0,0]=2 546 B11R1.222 CC1=C([C@@H](N)CF)C=CC=C1 N14610 [1,1,0,0,0,0|1,0,1]=4 547 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13426 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13427 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13428 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13449 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13450 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13451 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [1,1,0,0,0,0|0,0,2]=4 564 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N12531 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W12757 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.222 O=C(CBr)C1=C(Cl)C=NC=C1 D88108 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.222 O=C(CBr)C1=NC=CC=C1F F13389 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.222 O=C(CF)C1=CC=CN=C1F AT10155 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.50 CC1=C(C(=O)O)OC(CO)=C1 AT17171 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.50 CCC1=NC(C)=C(C(C)=O)S1 AT14683 [0,1,0,0,1,0|2,0,0]=4 582 B11R1.50 CSC1=CC(C(=O)O)=C(C)O1 AT17304 [0,1,0,0,1,0|2,0,0]=4 583 B11R1.50 CSC1=CC(C)=C(C(=O)O)O1 AT17283 [0,1,0,0,1,0|2,0,0]=4 584 B11R1.225 CC1=CC(C(=O)CO)=C(C)S1 AC4311 [0,1,0,0,1,0|1,0,0]=3 585 B11R1.225 CC1=NC(C)=C(C(=O)CO)S1 AC3257 [0,1,0,0,1,0|2,0,0]=4 586 B11R1.225 COC(=O)C1=C(C)OC(C)=N1 84741 [0,1,0,0,1,0|2,0,0]=4 587 B11R1.225 COC(=O)C1=NN(C)C=C1C AT24707 [0,1,0,0,1,0|2,0,0]=4 588 B11R1.673 CC1=C(Br)C(C(=O)O)=C(C)O1 D86964 [0,1,0,0,1,0|2,0,0]=4 589 B11R1.673 CC1=C(C)C(C(=O)O)=C(C)O1 AT17504 [0,1,0,0,1,0|2,0,0]=4 590 B11R1.865 COC(=O)C1=C(C)C(Br)=CN1 O11932 [0,1,0,0,1,0|2,0,0]=4 591 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 O11895 [0,1,0,0,1,0|1,0,0]=3 592 B11R1.865 COC(=O)C1=CC=C(N)N1C F18362 [0,1,0,0,1,0|2,0,0]=4 593 B13R1.51 COC1=C(NC(C)=O)C=CC(N)=C1 W10052 [0,1,0,0,0,1|1,0,0]=3 594 B13R1.163 CC(=O)N(C)C1=C(C)C=C(Br)C=C1 96865 [0,1,0,0,0,1|1,0,0]=3 595 B13R1.163 CC(=O)[C@H](N)C1=C(C)C=C(C)C=C1 N16004 [0,1,0,0,0,1|0,0,0]=2 596 B13R1.163 CC(=O)[C@H](N)C1=C(C)C=C(Cl)C=C1 N16202 [0,1,0,0,0,1|1,0,0]=3 597 B13R1.163 CC(=O)[C@H](N)C1=C(C)C=C(F)C=C1 N16251 [0,1,0,0,0,1|1,0,0]=3 598 B13R1.163 CC(=O)[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N15804 [0,1,0,0,0,1|2,0,0]=4 599 B13R1.163 CC(=O)[C@H](N)C1=C(F)C=C(C)C=C1 N16265 [0,1,0,0,0,1|1,0,0]=3 600 B13R1.163 CC(=O)[C@H](N)C1=C(F)C=C(Cl)C=C1 N15778 [0,1,0,0,0,1|2,0,0]=4 601 B13R1.163 CC1=C([C@@H](N)C(=O)O)C=CC(F)=C1 41023 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.163 CC1=C([C@@H](N)C(=O)O)C=CC(F)=C1 41024 [0,1,0,0,0,1|2,0,0]=4 603 B13R1.163 CC1=C([C@@H](N)C(=O)O)C=CC(F)=C1 N10907 [0,1,0,0,0,1|2,0,0]=4 604 B13R1.163 CC1=CC(C)=C(C(=O)C(C)C)C=C1 N14103 [0,1,0,0,0,1|1,0,1]=4 605 B13R1.163 CC1=CC(C)=C(C(N)C(C)O)C=C1 N16003 [0,1,0,0,0,1|0,0,2]=4 606 B13R1.163 CC1=CC(C)=C([C@@H](N)C(=O)O)C=C1 N10887 [0,1,0,0,0,1|1,0,0]=3 607 B13R1.163 CC1=CC(C)=C([C@@H](N)C(C)O)C=C1 N16002 [0,1,0,0,0,1|0,0,2]=4 608 B13R1.163 CC1=CC(C)=C([C@@H](N)[C@@H](C)O)C=C1 N15999 [0,1,0,0,0,1|0,0,2]=4 609 B13R1.163 CC1=CC(C)=C([C@@H](N)[C@@H](C)O)C=C1 N16001 [0,1,0,0,0,1|0,0,2]=4 610 B13R1.163 CC1=CC(C)=C([C@@H](N)[C@H](C)O)C=C1 N16000 [0,1,0,0,0,1|0,0,2]=4 611 B13R1.163 CC1=CC(F)=C([C@@H](N)C(=O)O)C=C1 N10906 [0,1,0,0,0,1|2,0,0]=4 612 B13R1.653 COC1=CC(C)=C(CC(C)=O)C=C1 70274 [0,1,0,0,0,1|0,0,0]=2 613 B13R1.876 CC(=O)NC1=C(Br)C=C(C)C(C)=C1 F12612 [0,1,0,0,0,1|1,0,0]=3 614 B13R1.876 CC(=O)NC1=C(Br)C=C(C)C(F)=C1 E72200 [0,1,0,0,0,1|1,0,0]=3 615 B13R1.876 CC(=O)NC1=CC(Cl)=C(Cl)C=C1C F18460 [0,1,0,0,0,1|1,0,0]=3 616 B13R1.2679 CC1=C(NC(=O)CCl)C=CC(Br)=C1 N16796 [0,1,0,0,0,1|1,0,0]=3 617 B13R1.2679 CC1=C(NC(=O)CCl)C=CC(Cl)=C1 F50777 [0,1,0,0,0,1|1,0,0]=3 618 B13R1.2679 CCC(=O)CC1=C(Cl)C=C(Cl)C=C1 N12604 [0,1,0,0,0,1|2,0,0]=4 619 B13R1.2679 CCC(=O)CC1=C(F)C=C(F)C=C1 N14562 [0,1,0,0,0,1|2,0,0]=4 620 B13R1.2679 CCC(=O)OC1=C(Cl)C=C(Br)C=C1 22825 [0,1,0,0,0,1|2,0,0]=4 621 B13R1.2679 COC(=O)CC1=C(Br)C=C(C)C=C1 D88154 [0,1,0,0,0,1|1,0,0]=3 622 B13R1.2808 CC(=O)CC1=C(Cl)C=C(Cl)C=C1Cl W19668 [0,1,0,0,0,1|2,0,0]=4 623 B13R1.3528 CC(=O)NC1=C(C)C(C)=C(Br)C=C1 78686 [0,1,0,0,0,1|1,0,0]=3 624 B13R1.3528 CC(=O)NC1=CC=C(F)C(F)=C1F 36955 [0,1,0,0,0,1|2,0,0]=4 625 B13R1.99 COC1=C([N+](=O)[O-])C=CC(SC)=C1 W15354 [0,2,0,0,0,0|2,0,0]=4 626 B13R1.99 COC1=CC(OC)=C(C(=N)N)C=C1 BL002353 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.99 COC1=CC(OC)=C([C@H](C)N)C=C1 N13101 [0,2,0,0,0,0|1,0,1]=4 628 B13R1.165 CC(=O)C1=C([N+](=O)[O-])C=C(F)C=C1 22767 [0,2,0,0,0,0|2,0,0]=4 629 B13R1.315 COC1=CC(Br)=CC(Br)=C1C(C)=O 93705 [0,2,0,0,0,0|1,0,0]=3 630 B13R1.315 COC1=CC(Br)=CC(F)=C1C(C)=O C91591 [0,2,0,0,0,0|1,0,0]=3 631 B13R1.315 COC1=CC(Cl)=CC(F)=C1C(C)=O I12067 [0,2,0,0,0,0|1,0,0]=3 632 B13R1.315 CSC1=C(C(=O)O)C(F)=CC(Br)=C1 94657 [0,2,0,0,0,0|2,0,0]=4 633 B13R1.356 CCSC1=C(C(=O)O)N=CC(C)=C1 F50906 [0,2,0,0,0,0|2,0,0]=4 634 B13R1.2065 CCC1=C(C(=O)OC)C=CC(F)=C1 E72108 [0,2,0,0,0,0|1,0,0]=3 635 B13R1.2065 CNC(=O)C1=C(OC)N=C(Br)C=C1 C92975 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.2065 CNC1=CC(Cl)=NC=C1C(=O)OC AT20081 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.2065 COC(=O)C1=C(CCl)C=C(Br)C=C1 AT18695 [0,2,0,0,0,0|1,0,0]=3 638 B13R1.2065 COC(=O)C1=C(OC)N=C(C)C=C1 AC9086 [0,2,0,0,0,0|1,0,0]=3 639 B13R1.2065 COC(=O)C1=CN=C(Br)C=C1OC C91419 [0,2,0,0,0,0|2,0,0]=4 640 B13R1.2065 N#CC1=C(C(=O)CBr)C=CC(F)=C1 F13301 [0,2,0,0,0,0|1,0,1]=4 641 B13R1.2398 COC1=C([N+](=O)[O-])C=C(N)C(C)=C1 D88092 [0,2,0,0,0,0|2,0,0]=4 642 B13R1.2398 COC1=CC(C)=C(Cl)C=C1[N+](=O)[O-] 58346 [0,2,0,0,0,0|2,0,0]=4 643 B13R1.2398 COC1=CC(F)=C(Cl)C=C1C(=O)O AT12549 [0,2,0,0,0,0|2,0,0]=4 644 B13R1.2398 COC1=NC(C)=C(F)C=C1C(=O)O 92223 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.2809 CC1=CC(C)=C(S(=O)(=O)[O-])C(C)=C1 96120 [0,2,0,0,0,0|2,0,0]=4 646 B13R1.651 CC1=CC(C)=C(C(=O)O)C=C1C=O 81020 [0,2,0,0,0,0|1,0,0]=3 647 B13R1.651 COC1=C(F)C=C(N)C(C(C)=O)=C1 34091 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(O)=C1 F13801 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.652 COC1=C(Br)C=C(C(C)=O)C(F)=C1 F50473 [0,2,0,0,0,0|1,0,0]=3 650 B13R1.652 COC1=C(Cl)C=C(C(=O)O)C(Cl)=C1 O10610 [0,2,0,0,0,0|2,0,0]=4 651 B13R1.1807 CNC(=O)C1=CC(F)=C(Cl)C=C1F 68933 [0,2,0,0,0,0|2,0,0]=4 652 B13R1.1807 CNC(=O)C1=CC(F)=C(F)C=C1F C77799 [0,2,0,0,0,0|2,0,0]=4 653 B13R1.1807 COC(=O)C1=C(Br)C=C(C)C(Br)=C1 E10200 [0,2,0,0,0,0|1,0,0]=3 654 B13R1.1807 COC(=O)C1=C(Br)C=C(C)C(O)=C1 95529 [0,2,0,0,0,0|1,0,0]=3 655 B13R1.1807 COC(=O)C1=C(F)C=C(N)C(N)=C1 W19189 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.1807 COC(=O)C1=C(I)C=C(F)C(F)=C1 C90847 [0,2,0,0,0,0|2,0,0]=4 657 B13R1.1807 COC(=O)C1=CC(Br)=C(O)C=C1F AT11218 [0,2,0,0,0,0|2,0,0]=4 658 B13R1.1807 COC(=O)C1=CC(Br)=C(O)C=C1F C90681 [0,2,0,0,0,0|2,0,0]=4 659 B13R1.1807 COC(=O)C1=CC(Cl)=C(Br)C=C1F AT21950 [0,2,0,0,0,0|2,0,0]=4 660 B13R1.1807 COC(=O)C1=CC(Cl)=C(C)C=C1O AT11635 [0,2,0,0,0,0|1,0,0]=3 661 B13R1.1807 COC(=O)C1=CC(Cl)=C(C)N=C1O 82668 [0,2,0,0,0,0|2,0,0]=4 662 B13R1.1807 COC(=O)C1=CC(I)=C(C)C=C1O AT20704 [0,2,0,0,0,0|1,0,0]=3 663 B13R1.1807 COC(=O)C1=CC(I)=C(F)C=C1C AT25996 [0,2,0,0,0,0|1,0,0]=3 664 B13R1.1807 COC(=O)C1=CC(O)=C(F)C=C1N 84743 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.1807 COC(=O)C1=NC(C)=C(C)N=C1C F15309 [0,2,0,0,0,0|2,0,0]=4 666 B13R1.1807 O=C(CO)C1=CC(F)=C(Cl)C=C1Cl AC4497 [0,2,0,0,0,0|2,0,0]=4 667 B13R1.2812 CC1=C(C(=O)O)C(F)=CC(F)=C1F 35204 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.2812 CC1=CC(F)=C(C(=O)O)C(C)=C1N 93864 [0,2,0,0,0,0|1,0,0]=3 669 B13R1.2812 CC1=CC(O)=C(C)C(O)=C1C(=O)O D83817 [0,2,0,0,0,0|2,0,0]=4 670 B13R1.95 COC(=O)C1=C(F)C=C(OC)N=C1 97684 [0,2,0,0,0,0|2,0,0]=4 671 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13756 [0,2,0,0,0,0|1,0,1]=4 672 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13757 [0,2,0,0,0,0|1,0,1]=4 673 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13758 [0,2,0,0,0,0|1,0,1]=4 674 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13763 [0,2,0,0,0,0|1,0,1]=4 675 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13764 [0,2,0,0,0,0|1,0,1]=4 676 B13R1.95 COC1=CC(Cl)=C(C(=O)CO)C=C1 AC4001 [0,2,0,0,0,0|1,0,0]=3 677 B13R1.120 CC(=O)C1=C(Br)C=C([N+](=O)[O-])C=C1 87784 [0,2,0,0,0,0|2,0,0]=4 678 B13R1.120 CC(=O)C1=C(Cl)C=C(C(=O)O)C=C1 D96197 [0,2,0,0,0,0|1,0,1]=4 679 B13R1.120 CC(=O)C1=C(F)C=C([N+](=O)[O-])C=C1 75542 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.120 CC(=O)C1=CC(Br)=C(C(=O)O)C=C1 F20191 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.120 CC(C)C1=CC(O)=C(C(=O)O)C=C1 D86023 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.120 CC1=C(C(=O)Cl)C=CC([N+](=O)[O-])=C1 C13383 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.120 CC1=C([N+](=O)[O-])C=CC(C(F)F)=C1 D96310 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.120 O=C(O)C1=C(F)C=C(C(F)F)C=C1 AT12883 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.385 NCCC1=CC(O)=C(C(=O)O)C=C1 52042 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.428 CC1=CC(C=O)=CC(C)=C1C(=O)O D86543 [0,2,0,0,0,0|1,0,1]=4 687 B13R1.428 COC1=CC(Br)=C(C(=O)O)C(F)=C1 AT25791 [0,2,0,0,0,0|2,0,0]=4 688 B13R1.428 COC1=CC(Br)=C([N+](=O)[O-])C(C)=C1 C90754 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.3096 CC(=O)C1=C(C)C(C)=C(C#N)C=C1 95927 [0,2,0,0,0,0|0,0,1]=3 690 B13R1.3096 COC1=C(C)C(C)=C(C(C)=O)C=C1 95924 [0,2,0,0,0,0|0,0,0]=2 691 B13R1.3096 COC1=C(F)C(C)=C([N+](=O)[O-])C=C1 D96240 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.3096 COC1=CC=C(C(=O)O)C(F)=C1Cl AT22407 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.3096 COC1=CC=C(C(=O)O)C(N)=C1Br 94831 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.3096 COC1=CC=C(C(=O)O)C(N)=C1Cl 94828 [0,2,0,0,0,0|2,0,0]=4 695 B13R1.3096 COC1=CC=C(C(=O)O)C(N)=C1F 94821 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.1808 COC(=O)C1=C(C)C(N)=C(F)C=C1 AT14744 [0,2,0,0,0,0|1,0,0]=3 697 B13R1.1808 COC(=O)C1=C(C)C(O)=C(C)C=C1 CL9618 [0,2,0,0,0,0|0,0,0]=2 698 B13R1.1808 COC(=O)C1=C(F)C(F)=C(Cl)C=C1 22773 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.1808 COC(=O)C1=C(F)C(O)=C(Br)C=C1 AT11224 [0,2,0,0,0,0|2,0,0]=4 700 B13R1.1808 COC(=O)C1=C(N)C(C)=C(Br)C=C1 AT23490 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.1808 COC(=O)C1=C(N)C(C)=C(F)C=C1 AT14738 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.1808 COC(=O)C1=C(O)C(F)=C(Br)C=C1 AT11220 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.1808 COC(=O)C1=CC=C(C)C(Cl)=C1Cl D96202 [0,2,0,0,0,0|1,0,0]=3 704 B13R1.1808 COC(=O)C1=CC=C(C)C(F)=C1N 97754 [0,2,0,0,0,0|1,0,0]=3 705 B13R1.1808 COC(=O)C1=CC=C(Cl)C(Br)=C1Cl O11903 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.1808 COC(=O)C1=CC=C(F)C(Cl)=C1F N12165 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.1808 COC(=O)C1=CC=C(F)C(F)=C1Br C90826 [0,2,0,0,0,0|2,0,0]=4 708 B13R1.1808 COC(=O)C1=CC=C(F)C(O)=C1F C15214 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.1808 COC(=O)C1=CC=C(N)C(I)=C1Cl SC5027 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.4656 CC1=CC(C)=C(C(=O)C=O)C(C)=C1 23918 [0,2,0,0,0,0|0,0,1]=3 711 B13R1.4656 CC1=CC(C)=C([C@@H](N)CN)C(C)=C1 N13821 [0,2,0,0,0,0|1,0,1]=4 712 B13R1.4656 CC1=CC(C)=C([C@@H](N)CN)C(C)=C1 N13822 [0,2,0,0,0,0|1,0,1]=4 713 B13R1.4656 CC1=CC(C)=C([C@@H](N)CN)C(C)=C1 N13823 [0,2,0,0,0,0|1,0,1]=4 714 B13R1.4656 CC1=CC(C)=C([C@@H](N)CN)C(C)=C1 N13824 [0,2,0,0,0,0|1,0,1]=4 715 B13R1.4656 CC1=CC(C)=C([C@@H](N)CN)C(C)=C1 N13825 [0,2,0,0,0,0|1,0,1]=4 716 B13R1.4656 COC(=O)C1=C(Br)C=C(Br)C=C1N D96208 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.4656 COC(=O)C1=C(Cl)C=C(Cl)C=C1C D96205 [0,2,0,0,0,0|1,0,0]=3 718 B13R1.4656 COC(=O)C1=C(Cl)C=C(Cl)C=C1Cl AT26659 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.4656 COC(=O)C1=C(F)C=C(F)C=C1C 97417 [0,2,0,0,0,0|1,0,0]=3 720 B13R1.4656 COC(=O)C1=C(I)C=C(Cl)C=C1C 55382 [0,2,0,0,0,0|1,0,0]=3 721 B13R1.4656 COC(=O)C1=C(I)C=C(F)C=C1C 55386 [0,2,0,0,0,0|1,0,0]=3 722 B13R1.4656 COC(=O)C1=C(O)C=C(O)N=C1C C93235 [0,2,0,0,0,0|2,0,0]=4 723 B13R1.4656 O=C(CBr)C1=C(F)C=C(Br)C=C1F CL9571 [0,2,0,0,0,0|2,0,0]=4 724 B13R1.1511 CC1=CC(C)=C(C(=O)CC#N)C=C1 C78291 [0,2,0,0,0,0|0,0,0]=2 725 B13R1.1511 CCCC(=O)C1=C(C)C=C(C)C=C1 N14101 [0,2,0,0,0,0|0,0,0]=2 726 B13R1.1511 CCCC(=O)C1=C(F)C=C(Br)C=C1 N12188 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.1511 CCCC(=O)C1=C(F)C=C(Cl)C=C1 N14024 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.1511 CCCC(=O)C1=C(F)C=C(F)C=C1 N14021 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(C)C=C1 N11167 [0,2,0,0,0,0|1,0,1]=4 730 B13R1.1511 CCOC(=O)C1=C(C)N=C(O)C=C1 79921 [0,2,0,0,0,0|2,0,0]=4 731 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(I)C=C1 D75552 [0,2,0,0,0,0|2,0,0]=4 732 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1C AT10580 [0,2,0,0,0,0|2,0,0]=4 733 B13R1.1511 N#CCC(=O)C1=C(F)C=C(F)C=C1 W10646 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,0,1,1,0,0|0,0,2]=4 735 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [1,0,0,1,0,0|1,0,1]=4 736 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [1,0,0,1,0,0|1,0,1]=4 737 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [1,0,0,1,0,0|1,0,1]=4 738 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [1,0,0,1,0,0|1,0,1]=4 739 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [1,0,0,1,0,0|1,0,1]=4 740 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,1,0,0|2,0,0]=4 741 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [1,0,0,1,0,0|1,0,1]=4 742 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [1,0,0,1,0,0|1,0,1]=4 743 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [1,0,0,1,0,0|1,0,1]=4 744 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [1,0,0,1,0,0|2,0,0]=4 745 B11R2.55 CC1=C(C2CC2)C=CC=C1 AC9736 [1,0,0,1,0,0|1,0,1]=4 746 B11R2.60 O=C1CCC2=C(Br)NC=C12 F12550 [0,0,0,1,1,0|2,0,0]=4 747 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CO2 AC6060 [0,0,0,1,0,1|1,0,0]=3 748 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [0,0,0,1,0,1|1,0,1]=4 749 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)OC2 AC7323 [0,0,0,1,0,1|2,0,0]=4 750 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 25433 [0,0,0,1,0,1|2,0,0]=4 751 B13R2.3683 O=C1NC2=C(C=C(F)C=C2)CO1 AC4756 [0,0,0,1,0,1|2,0,0]=4 752 B13R2.3683 O=C1NC2=C(C=C(I)C=C2)CO1 AC5099 [0,0,0,1,0,1|2,0,0]=4 753 B13R2.5397 CC1=C2OC(=O)NC2=CC(Cl)=C1 53494 [0,0,0,1,0,1|2,0,0]=4 754 B13R2.5397 CC1=CC2=C(N=C(Cl)S2)C(C)=C1 F15173 [0,0,0,1,0,1|1,1,0]=4 755 B13R2.5179 C=C1CCOC2=C1C=CC(Br)=C2 94705 [0,1,0,1,0,0|2,0,0]=4 756 B13R2.5179 CC1=CC2=C(C=C1)C(=O)C=CO2 C91052 [0,1,0,1,0,0|0,0,2]=4 757 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCS2 N16679 [0,1,0,1,0,0|0,0,0]=2 758 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](O)CCO2 N14459 [0,1,0,1,0,0|0,0,2]=4 759 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 Y10649 [0,1,0,1,0,0|1,0,0]=3 760 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 CS1458 [0,1,0,1,0,0|1,0,0]=3 761 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 Y10680 [0,1,0,1,0,0|1,0,0]=3 762 B13R2.5179 O=C1CCNC2=C1C=CC(F)=C2 N12843 [0,1,0,1,0,0|1,0,0]=3 763 B13R2.5187 CC1=CN(C)C2=C1C=CC(Br)=C2 D87087 [0,1,0,1,0,0|2,0,0]=4 764 B13R2.5187 O=C1CC(=O)C2=C1C=CC(Br)=C2 D86839 [0,1,0,1,0,0|1,0,1]=4 765 B13R2.11634 CC1=C(Br)C=C2C(=C1)CC[C@@H]2N Y12694 [0,1,0,1,0,0|1,0,1]=4 766 B13R2.11634 CC1=C(Br)C=C2C(=C1)CC[C@@H]2N Y12695 [0,1,0,1,0,0|1,0,1]=4 767 B13R2.11634 CC1=C(Br)C=C2C(=C1)CC[C@@H]2N Y12807 [0,1,0,1,0,0|1,0,1]=4 768 B13R2.11634 CC1=C(Br)C=C2C(=O)OCC2=C1 C91273 [0,1,0,1,0,0|1,0,0]=3 769 B13R2.11634 CC1=C(Cl)C=C2CCC(=O)C2=C1 F52802 [0,1,0,1,0,0|1,0,0]=3 770 B13R2.11634 CC1=C(F)C=C2C(=O)CCC2=C1 F52767 [0,1,0,1,0,0|0,0,0]=2 771 B13R2.11634 CC1=C(F)C=C2CCC(=O)C2=C1 F52770 [0,1,0,1,0,0|1,0,0]=3 772 B13R2.11634 CC1=CC2=C(C=C1O)C(=O)CC2 F52796 [0,1,0,1,0,0|0,0,0]=2 773 B13R2.2130 C=CC1=CC2=C(C=C1)C(=O)OC2 S10783 [0,1,0,1,0,0|1,0,1]=4 774 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 D78694 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 N10955 [0,1,0,1,0,0|1,0,1]=4 776 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 N11042 [0,1,0,1,0,0|1,0,1]=4 777 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](O)CC2 N14435 [0,1,0,1,0,0|0,0,2]=4 778 B13R2.2130 COC1=CN=C2C(=O)NCC2=C1 F52600 [0,1,0,1,0,0|2,0,0]=4 779 B13R2.2130 CSC1=CC2=C(C=C1)C(=O)CC2 79916 [0,1,0,1,0,0|0,0,0]=2 780 B13R2.2130 N#CC1=CN=C2C(=O)CCC2=C1 85964 [0,1,0,1,0,0|1,0,1]=4 781 B13R2.5180 CC1=C(C)C2=C(C=C1)C(=O)CC2 F52789 [0,1,0,1,0,0|0,0,0]=2 782 B13R2.5180 CC1=C(F)C2=C(C=C1)C(=O)CC2 F52768 [0,1,0,1,0,0|0,0,0]=2 783 B13R2.5180 CC1=C(F)C=CC2=C1CCC2=O F52766 [0,1,0,1,0,0|1,0,0]=3 784 B13R2.5180 CC1=C(N)C2=C(C=C1)C(=O)NC2 W10057 [0,1,0,1,0,0|1,0,0]=3 785 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2I 93252 [0,1,0,1,0,0|1,0,0]=3 786 B13R2.5180 O=C1CSC2=C1C=CC(Cl)=C2Cl 93567 [0,1,0,1,0,0|2,0,0]=4 787 B13R2.11642 CC1=C2C(=O)CCC2=CC(Cl)=C1 F52803 [0,1,0,1,0,0|1,0,0]=3 788 B13R2.11642 CC1=C2C(=O)CCC2=CC(F)=C1 F52771 [0,1,0,1,0,0|1,0,0]=3 789 B13R2.11642 CC1=C2C(=O)OCC2=CC(O)=C1 S10279 [0,1,0,1,0,0|1,0,0]=3 790 B13R2.11642 CC1=CC(F)=C2C(=O)CCC2=C1 C14522 [0,1,0,1,0,0|0,0,0]=2 791 B13R2.11642 O=C1CCC2=CC(Cl)=CC(Br)=C12 F52758 [0,1,0,1,0,0|1,0,0]=3 792 B13R2.11642 O=C1NCC2=CC(F)=CC(F)=C12 D71998 [0,1,0,1,0,0|2,0,0]=4 793 B13R2.11642 O=C1OCC2=CC(Br)=CC(F)=C12 O11384 [0,1,0,1,0,0|2,0,0]=4 794 B13R2.662 CC1=CC2=C(C=C1)C(CO)=CN2 71545 [0,1,0,1,0,0|2,0,0]=4 795 B13R2.5190 CC1=CC2=C(C=C1)C(=O)[C@@H](C)C2 N14232 [0,1,0,1,0,0|0,0,0]=2 796 B13R2.5190 CN1NC2=C(C=CC(Br)=C2)C1=O 93768 [0,1,0,1,0,0|2,0,0]=4 797 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O N13213 [0,1,0,1,0,0|1,0,0]=3 798 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [1,0,0,0,1,0|2,0,0]=4 799 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [1,0,0,0,1,0|2,0,0]=4 800 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [1,0,0,0,1,0|2,0,0]=4 801 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [1,0,0,0,1,0|2,0,0]=4 802 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [1,0,0,0,1,0|2,0,0]=4 803 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [1,0,0,0,1,0|1,0,0]=3 804 B9R1.22 CC1=NC(C=O)=C(C)O1 S11308 [1,0,0,0,1,0|2,0,0]=4 805 B9R1.22 CC1=NC(C=O)=C(C)S1 AT15238 [1,0,0,0,1,0|2,0,0]=4 806 B9R1.22 CN1C=C(Br)C=C1C=O AT16228 [1,0,0,0,1,0|2,0,0]=4 807 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [1,0,0,0,1,0|1,0,0]=3 808 B9R1.132 CC1=C(C)C(C=O)=NN1 AT15956 [1,0,0,0,1,0|2,0,0]=4 809 B9R1.132 CC1=CN=C(C=O)N1C AT15705 [1,0,0,0,1,0|2,0,0]=4 810 B9R1.132 CN1C(Cl)=CC=C1C=O AT16174 [1,0,0,0,1,0|2,0,0]=4 811 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [1,0,0,0,1,0|2,0,0]=4 812 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [1,0,0,0,1,0|2,0,0]=4 813 B9R1.41 CC1=CNC=C1C(=O)O 71038 [1,0,0,0,1,0|2,0,0]=4 814 B9R1.41 CC1=COC=C1C(=O)O 72440 [1,0,0,0,1,0|2,0,0]=4 815 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [1,0,0,0,1,0|2,0,0]=4 816 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [1,0,0,0,0,1|2,0,0]=4 817 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [1,0,0,0,0,1|1,0,1]=4 818 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [1,0,0,0,0,1|2,0,0]=4 819 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [1,0,0,0,0,1|2,0,0]=4 820 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [1,0,0,0,0,1|2,0,0]=4 821 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [1,0,0,0,0,1|1,0,0]=3 822 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [1,0,0,0,0,1|2,0,0]=4 823 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [1,0,0,0,0,1|2,0,0]=4 824 B11R1.86 CC(=O)NC1=NN=CC=C1C AC7622 [1,0,0,0,0,1|2,0,0]=4 825 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [1,0,0,0,0,1|1,0,0]=3 826 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 81280 [1,0,0,0,0,1|1,1,0]=4 827 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [1,0,0,0,0,1|1,0,1]=4 828 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 90618 [0,0,0,0,1,1|1,0,0]=3 829 B11R1.74 CC(=O)C1=CC(F)=CC(O)=C1 C90880 [0,0,0,0,1,1|2,0,0]=4 830 B11R1.74 CC1=CC(Br)=NC(C(=O)O)=C1 H11547 [0,0,0,0,1,1|2,0,0]=4 831 B11R1.74 CC1=CC(C(N)=O)=CC(C)=N1 F12421 [0,0,0,0,1,1|2,0,0]=4 832 B11R1.74 CC1=CC(C)=CC([C@H](C)N)=C1 N12241 [0,0,0,0,1,1|1,0,1]=4 833 B13R1.164 CC1=C(CCC(=O)O)C=CC(Br)=C1 F52885 [0,0,0,0,0,2|2,0,0]=4 834 B13R1.164 CC1=C(CCC(=O)O)C=CC(Cl)=C1 F52883 [0,0,0,0,0,2|2,0,0]=4 835 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 Y10252 [0,0,0,0,0,2|2,0,0]=4 836 B13R1.164 CC1=CC(C)=C(SCC(=O)O)C=C1 AT20937 [0,0,0,0,0,2|1,0,0]=3 837 B13R1.164 CC1=CC(Cl)=C(CCC(=O)O)C=C1 F52923 [0,0,0,0,0,2|2,0,0]=4