0 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 CC1=CN=C(C(=O)O)C=C1 23539 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC1=NC=C(B(O)O)C=C1 T72065 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 C[C@H](Cl)C1=CC=C(Br)C=C1 W15990 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 61144 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 N11998 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10878 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 D90991 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 F13696 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 34960 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 D87634 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 O=C(O)C1=CN=C(S)C=C1 N12019 [0,0,0,0,0,0|1,1,0]=2 16 B10R1.13 O=C1C=CC(C(=O)O)=CN1 P10104 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.13 O=C1C=CC([N+](=O)[O-])=CN1 78873 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 O=C1C=NC(C(=O)[O-])=CN1 C12925 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 O=C1CC=C(C(=O)O)N=N1 O11625 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 AT20605 [0,0,0,0,0,0|2,1,1]=4 21 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 D82516 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 OB(O)C1=CC=C(S)C=C1 64291 [0,0,0,0,0,0|1,1,1]=3 23 B9R1.1 BC1=CC=C(OC)C=C1 F10893 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 C=CC1=CC=C(Cl)C=C1 W15543 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 CC1=CC=C(CS)C=C1 D91373 [1,0,0,0,0,0|1,1,1]=4 26 B9R1.1 CC1=CC=C(NN)C=C1 W10666 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [1,0,0,0,0,0|1,1,1]=4 28 B9R1.1 CSC1=CC=C(C)C=C1 D91411 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 FC1=CC=C(CS)C=C1 AT13678 [1,0,0,0,0,0|1,1,1]=4 30 B9R1.1 NCC1=CC=C(F)C=C1 D90701 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.1 NCC1=CC=C(O)C=C1 A10196 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.1 NNC1=CC=C(Cl)C=C1 O10106 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 O=CC1=CN=C(O)C=C1 BL005396 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.1 SCC1=CC=C(Br)C=C1 A12220 [1,0,0,0,0,0|1,1,1]=4 35 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 N=C(N)C1=CC=NC=C1 I11702 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 O=C(Cl)C1=CN=CN=C1 S11745 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 O=C([O-])C1=NC=CC=C1 D91960 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.3 C=CC1=CC=C(C(C)=O)C=C1 E72714 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.3 CC(C)C1=CC=C(CO)C=C1 D97386 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.3 COC1=CC=C(C(N)=S)C=C1 A10489 [0,1,0,0,0,0|1,1,0]=3 46 B11R1.3 COC1=CC=C([S@](C)=O)C=C1 W16290 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.3 COC1=NC=C(B(O)O)C=C1 AT14954 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.3 N#CC1=CC=C(C(=N)N)C=C1 AC1944 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.3 N#[N+]C1=CC=C([N+](=O)[O-])C=C1 H11331 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 D82190 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15424 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.3 O=[N+]([O-])C1=CC=C(CS)C=C1 AT13681 [0,1,0,0,0,0|1,1,1]=4 53 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 D86508 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11130 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15971 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15972 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.19 NC1=CC=C(S(=O)(=O)[O-])C=C1 29608 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.19 NC1=CC=C([As](=O)([O-])O)C=C1 D88275 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.19 O=S(=O)(Cl)C1=CC=C(Br)C=C1 85876 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.19 O=[As](O)(O)C1=CC=C(O)C=C1 D90814 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.21 CC1=C(N)C=C(B(O)O)C=C1 D71308 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.21 NC(=S)C1=CC(F)=C(F)C=C1 W12700 [0,1,0,0,0,0|2,1,0]=4 63 B11R1.21 NC1=C(N)C=C([N+](=O)[O-])C=C1 D88565 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 CK2206 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 D75733 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 O11408 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(I)C=C1 S10427 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.22 C=C[C@H](O)C1=CC=C(F)C=C1 D87378 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 T70701 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 W10700 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.22 CN(C=O)C1=CC=C(Cl)C=C1 D86504 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 D86930 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.22 COC(=O)C1=CNC(=N)N=C1 W16683 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.22 COC(=O)C1=CNC(=O)C=C1 AB9697 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.22 COC(=O)C1=CNC(=O)C=N1 W16685 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 44467 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.22 C\C(=N\O)C1=CC=C(Cl)C=C1 C13043 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 D90902 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 79799 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 AR2879 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 82089 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.22 N\C(=N\O)C1=CC=C(Br)C=C1 31138 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 N10778 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 23340 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 75255 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.22 OC[C@H](Cl)C1=CC=C(Cl)C=C1 58244 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.22 O[C@@H](CCl)C1=CC=C(F)C=C1 D97158 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 65909 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.22 O\N=C(/Cl)C1=CC=C(F)C=C1 C58117 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.22 [CH2]C1=CC=C(C(=O)OC)C=C1 D77411 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 O11609 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.166 N=C(N)C1=C(Cl)C=C(Cl)C=C1 24189 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.166 NC(=O)C1=C(Br)C=C(F)C=C1 FD10659 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D90092 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.166 NC1=CC(N)=C([N+](=O)[O-])C=C1 D89594 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl F17508 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1 36897 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 79334 [0,1,0,0,0,0|1,0,1]=3 102 B11R2.34 ClC1=CC=C([C@@H]2CO2)C=C1 58242 [0,0,0,1,0,0|2,0,1]=4 103 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 V10033 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.35 CC1=CC=C(C(=O)Cl)S1 AT16715 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.35 NC1=NC=C(C(=O)O)O1 AT18681 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.35 O=C(O)C1=CN=C(Cl)O1 F53663 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.35 O=C(O)C1=CN=C(S)N1 Y10788 [0,0,0,0,1,0|2,1,0]=4 108 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,0,0,0,0,1|1,0,0]=2 109 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 D88481 [0,0,0,0,0,1|1,1,0]=3 110 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 78670 [0,0,0,0,0,1|3,0,0]=4 111 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 T71190 [0,0,0,0,0,1|3,0,0]=4 112 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 AC5981 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.20 N=C(N)NC1=CC=C(Br)C=C1 D95501 [0,0,0,0,0,1|3,0,0]=4 114 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 A10506 [0,0,0,0,0,1|2,1,0]=4 115 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 S10930 [0,0,0,0,0,1|2,0,0]=3 116 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 28966 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 O10485 [0,0,0,0,0,1|2,0,0]=3 118 B11R1.20 S=C(Cl)OC1=CC=C(Cl)C=C1 T71479 [0,0,0,0,0,1|2,1,0]=4 119 B8R1.2 C#CC1=CC=CC=C1 D90456 [2,0,0,0,0,0|1,0,1]=4 120 B8R1.2 C=CC1=NC=CC=C1 91716 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|1,0,1]=4 122 B8R1.2 NNC1=CC=CC=C1 D91920 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.3 NC1=CC=C(F)C=C1 D78529 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.3 NC1=CC=C(N)C=C1 D92210 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.3 NC1=CN=C(O)C=C1 A11653 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.3 NC1=NC=C(O)C=C1 F16234 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.3 OC1=CN=C(O)C=C1 O12060 [2,0,0,0,0,0|1,0,0]=3 128 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 O=C=NC1=CC=C(Br)C=C1 D88673 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.3 C=CC1=CC=C(CN)C=C1 CK2398 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.25 CC1=CC(F)=NC=C1C=O C14505 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.25 COC1=C(Cl)C=C(O)C=C1 D82682 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.25 NC1=CC(Cl)=C(CO)C=C1 A50711 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 93736 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.15 COC(=N)C1=NC=CC=C1 77277 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.15 C\C(=N\O)C1=CN=CC=C1 31313 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 CL4120 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 AR3950 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 D88593 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.28 O[B-](O)(O)C1=CC=CC=C1 D92266 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.61 NC(=O)C1=CC=CN=C1F 26317 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.61 NC(=O)C1=NC=CC=C1O D90953 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 V10037 [1,1,0,0,0,0|1,1,0]=4 151 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 A10483 [1,1,0,0,0,0|1,1,0]=4 152 B10R1.61 NC(=S)C1=C(F)C=CC=C1 A10480 [1,1,0,0,0,0|1,1,0]=4 153 B10R1.61 NC(=S)C1=C(O)C=CC=C1 A10504 [1,1,0,0,0,0|1,1,0]=4 154 B10R1.61 NC1=C(C(=O)O)C=CN=C1 O10944 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 D91640 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.61 NC1=CC=CN=C1C(=O)O O10945 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 I10233 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 CL0204 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.61 O=C(O)C1=C(F)C=CC=N1 AC3521 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.61 O=C(O)C1=CC=CN=C1S F14851 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.61 O=C(O)C1=NC=CNC1=O FD9125 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [1,1,0,0,0,0|0,0,1]=3 163 B10R1.61 O=C([O-])C1=C([S-])C=CC=C1 H10793 [1,1,0,0,0,0|0,0,1]=3 164 B10R1.113 C=C(C)C1=CC=CC(I)=C1 D86695 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.113 CC1=CC=CC(C(=N)N)=C1 I11458 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 C91518 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.113 N=C(N)C1=CC(N)=CC=C1 F13532 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.113 N=C(N)C1=CC(N)=CC=C1 H11407 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 D87873 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.113 NC(=S)C1=CC(F)=CC=C1 W12701 [1,1,0,0,0,0|1,1,0]=4 171 B10R1.113 NC(=S)C1=CC(O)=CC=C1 A10505 [1,1,0,0,0,0|1,1,0]=4 172 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 A10478 [1,1,0,0,0,0|1,1,0]=4 173 B10R1.113 NC1=CC(C(=O)O)=NC=C1 AC1887 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.113 NC1=CC=CC(C(=O)[O-])=C1 D88239 [1,1,0,0,0,0|0,0,1]=3 175 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 D91195 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 D90821 [1,1,0,0,0,0|0,0,1]=3 177 B10R1.113 O=C([O-])C1=CC=CC(F)=C1 CK1073 [1,1,0,0,0,0|0,0,1]=3 178 B10R1.14 COC(=O)C1=CC(C)=CS1 H10305 [0,1,0,0,1,0|2,0,0]=4 179 B10R1.31 CCC1=CC=C(C(=O)O)S1 AT16403 [0,1,0,0,1,0|2,0,0]=4 180 B10R1.31 COC1=NOC(C(=O)O)=C1 71637 [0,1,0,0,1,0|2,0,0]=4 181 B10R1.59 CC1=CC(C(=O)O)=C(C)S1 AT16778 [0,1,0,0,1,0|2,0,0]=4 182 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 71272 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.4 CNC1=CC=C(NC(C)=O)C=C1 D80930 [0,1,0,0,0,1|2,0,0]=4 184 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 71303 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 D97658 [0,1,0,0,0,1|1,0,0]=3 186 B12R1.4 CSC1=CC=C(NC(C)=O)C=C1 L10171 [0,1,0,0,0,1|1,1,0]=4 187 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 D72888 [0,1,0,0,0,1|1,0,0]=3 188 B12R1.19 CC(=O)NC1=CC(F)=C(Br)C=C1 36302 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.19 CC(=O)NC1=CC(F)=C(F)C=C1 75671 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.19 CC(=O)NC1=CC(O)=C(Cl)C=C1 E72215 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.19 NC1=C(Cl)C=C(CC(=O)O)C=C1 98290 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 W16664 [0,1,0,0,0,1|1,0,0]=3 193 B12R1.49 C=CC(=O)NC1=CC=C(Br)C=C1 N11714 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.49 C=CC(=O)NC1=CC=C(F)C=C1 N11717 [0,1,0,0,0,1|2,0,0]=4 195 B12R1.106 O=P(O)(O)CC1=CC=C(O)C=C1 T73053 [0,1,0,0,0,1|1,0,0]=3 196 B12R1.233 CC1=CC(=O)N(CC(=O)O)C=C1 AT19235 [0,1,0,0,0,1|2,0,0]=4 197 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 D87833 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.233 O=C(Cl)OC1=C(F)C=C(F)C=C1 AC6073 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.5 CC[C@H](O)C1=CC=C(OC)C=C1 N12428 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.5 CC[N+]1=CC=C(C(=O)OC)C=C1 D90496 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.5 COC(=O)C1=NC=C(CN)C=C1 57135 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 W17814 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 T72571 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.6 COC1=CC=C(P(=O)(Cl)Cl)C=C1 T72387 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.48 COC1=C(C)N=C(C(=O)O)C=N1 D85767 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.48 COC1=C(Cl)C=C(C(N)=O)C=C1 C90320 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.113 CCCC1=CC=C(C(=O)Cl)C=C1 F20464 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 CK2248 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.113 O=[N+]([O-])C1=CC=C(\C=N\O)C=C1 D91719 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.256 NC(=O)C1=CC=C(C(N)=O)C=C1 D92284 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 20023 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.256 O=C(Cl)C1=CC=C(B(O)O)C=C1 53724 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.452 COC1=CC(Br)=C(C(C)=O)C=C1 AC1208 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.452 COC1=CC(Br)=C(C(N)=O)C=C1 C15655 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.23 CS(=O)(=O)C1=CC(F)=C(O)C=C1 94982 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.56 COC1=C(O)C=CC(C(N)=S)=C1 76954 [0,2,0,0,0,0|1,1,0]=4 217 B12R1.232 CC(=O)C1=C(Br)C=C(F)C(F)=C1 95670 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.232 CC(=O)C1=C(O)C=C(C)C(C)=C1 S10961 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1F CL9108 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.232 CC(=O)C1=CC(F)=C(F)C=C1O D96253 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.232 CC1=C(I)C=C(C(=O)O)C(O)=C1 35161 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1F D77050 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.232 O=C(Cl)C1=CC(F)=C(Cl)C=C1F 34999 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.232 O=C(O)C1=CC(Br)=C(O)C=C1Br CL9194 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.232 O=C(O)C1=CC(Cl)=C(O)C=C1F 98180 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 W17012 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.367 CC1=C(F)C=C(\C(N)=N\O)C=C1 93025 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.367 CC1=C(O)C=CC(C(=O)CBr)=C1 C15775 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 BL005619 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 D86968 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.367 NCC(=O)C1=CC(Cl)=C(Cl)C=C1 93654 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12631 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.367 NNC(=O)C1=CC(Cl)=C(Cl)C=C1 D95417 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.893 CC(=O)C1=CC=C(O)C(F)=C1F C90908 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1I E71782 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.893 O=C(O)C1=CC=C(F)C(O)=C1F 35061 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1F CL8894 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.1005 CC1=CC(B(O)O)=CC(C)=C1O D71539 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1F W18456 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.1005 NC1=C(I)C=C(C(=O)O)C=C1I I10167 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(O)C(F)=C1 FD10741 [0,2,0,0,0,0|1,0,1]=4 242 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 91787 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.16 CCOC(=O)C1=NN=C(O)C=C1 78700 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 70046 [0,2,0,0,0,0|1,0,1]=4 245 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 C74644 [0,2,0,0,0,0|0,0,0]=2 246 B12R1.16 O=CNC(=O)C1=CC=C(Cl)C=C1 E72630 [0,2,0,0,0,0|1,0,1]=4 247 B12R1.1703 CC1=C(\C(N)=N\O)C=CC(Cl)=C1 72357 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 67274 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.1703 O=C(CBr)C1=C(O)C=C(F)C=C1 F13712 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.57 CC(=O)C1=C(C#N)C=C(Cl)C=C1 E72189 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.57 CC1=CC(C#N)=C(C(=O)O)C=C1 CL9373 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.1000 CC1=CC(Br)=CC(I)=C1C(=O)O E72101 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.1000 CC1=CC(C)=NC(N)=C1C(=O)O AT10443 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.1000 CC1=CC(C)=NC(O)=C1C(=O)O 84024 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.1000 CC1=CC(I)=C(C(=O)O)C(I)=C1 AT18570 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(O)=C1 D90113 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.1000 O=C(Cl)C1=C(F)C=C(Br)C=C1F C15861 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.1000 O=C(Cl)C1=C(F)C=C(F)C=C1F CK1092 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.1000 O=C(O)C1=C(Br)C=C(F)C=C1Br 94047 [0,2,0,0,0,0|1,0,0]=3 260 B12R2.606 FC1=CC2=C(C=C1)N=C(S)O2 AC4312 [0,0,0,1,0,1|1,1,0]=4 261 B12R2.606 NC1=CC2=C(C=C1)N=C(S)O2 51516 [0,0,0,1,0,1|1,1,0]=4 262 B12R2.606 NC1=NC2=C(C=C(F)C=C2)O1 P11628 [0,0,0,1,0,1|2,0,0]=4 263 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 S11541 [0,0,0,1,0,1|1,0,0]=3 264 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 D78645 [0,0,0,1,0,1|1,0,0]=3 265 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)O1 C15388 [0,0,0,1,0,1|1,1,0]=4 266 B12R2.612 CC1=NOC2=C1C=CC(Cl)=C2 D71901 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.612 NC1=NOC2=C1C=CC(Cl)=C2 68246 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.7 CC(=O)C1=CCC=C1 77833 [1,0,0,0,1,0|1,0,1]=4 269 B8R1.7 O=C(Cl)C1=CSC=C1 AT17064 [1,0,0,0,1,0|2,0,0]=4 270 B8R1.7 O=C(O)C1=CC=NN1 W10252 [1,0,0,0,1,0|2,0,0]=4 271 B8R1.7 O=C(O)C1=CN=CN1 VT1381 [1,0,0,0,1,0|2,0,0]=4 272 B8R1.7 O=C([O-])C1=CC=CS1 D80257 [1,0,0,0,1,0|1,0,1]=4 273 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [1,0,0,0,0,1|1,0,1]=4 274 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 D78576 [0,0,0,0,0,2|2,0,0]=4 275 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 D78577 [0,0,0,0,0,2|2,0,0]=4 276 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 F20951 [0,0,0,0,0,2|2,0,0]=4 277 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 CL8805 [0,0,0,0,0,2|1,0,0]=3 278 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 D97320 [0,0,0,0,0,2|2,0,0]=4 279 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 F16048 [0,0,0,0,0,2|1,0,0]=3 280 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 D89302 [0,0,0,0,0,2|2,0,0]=4 281 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 CL8804 [0,0,0,0,0,2|1,0,0]=3 282 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 31261 [0,0,0,0,0,2|1,0,0]=3 283 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [0,0,0,0,0,2|0,0,0]=2 284 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 AT20944 [0,0,0,0,0,2|1,0,0]=3