0 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(N)C1=CC=NC=C1 17007 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(N)C1=CN=CC=C1 17106 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 CC(N)C1=NC=CC=C1 17105 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 CN(C)C1=CC=NC=C1 00120 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 CN(C)C1=CC=NC=C1 30845 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 CN(C)C1=CC=NC=C1 30846 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 N=C(N)C1=CN=CN=C1 19496 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.6 N=C(N)C1=NC=CC=N1 31276 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 NC(=O)C1=NC=CN=C1 22211 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 NC(=S)C1=CN=CN=C1 18224 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.6 O=C(Cl)C1=CC=CN=C1 06993 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 O=C(O)C1CC=CCC1 22460 [0,0,0,0,0,0|0,0,4]=4 32 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,0,0,0,0,0|0,0,1]=1 33 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,0,0,0,0,0|0,0,1]=1 34 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 28277 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,0,0,0,0,0|1,0,1]=2 36 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,0,0,0,0,0|1,0,1]=2 37 B9R1.6 OB(O)C1=CC=CC=N1 31151 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.6 OB(O)C1=CC=NC=C1 29071 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 OB(O)C1=CN=CC=C1 28849 [0,0,0,0,0,0|2,0,1]=3 40 B8R1.2 BrCC1=CC=CC=C1 00332 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.2 C#CC1=CC=CC=C1 24540 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.2 CC[N+]1=CC=CC=C1 31419 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 CNC1=CN=CC=C1 18208 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 COC1=CC=CC=C1 02045 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 COC1=CC=NC=C1 28387 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 COC1=NC=CC=C1 27017 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 ClCC1=CC=CN=C1 06928 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 ClCC1=CC=NC=C1 06929 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 ClCC1=NC=CC=C1 06927 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 N#CC1=CC=CC=C1 27352 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.2 N#CC1=CC=NC=C1 27057 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 NCC1=CC=CC=C1 29916 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.2 NCC1=CC=CN=C1 27056 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 NCC1=CC=NC=C1 27066 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.2 NCC1=CC=NC=C1 28201 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 NNC1=CC=CC=C1 02348 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 O=CC1=CC=NC=C1 07252 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 O=CC1=CN=CN=C1 17090 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 O=CC1=NC=CC=C1 02023 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.2 O=CC1=NC=CN=C1 17542 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 OCC1=CC=CC=C1 00371 [1,0,0,0,0,0|0,0,1]=2 62 B8R1.2 OCC1=CC=CN=C1 27054 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.2 OCC1=CC=CN=N1 26187 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 OCC1=CC=NC=C1 12966 [1,0,0,0,0,0|1,0,1]=3 65 B8R1.2 OCC1=CN=CN=C1 26173 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 28727 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 17580 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [0,1,0,0,0,0|1,0,1]=3 79 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [0,1,0,0,0,0|1,0,1]=3 80 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.13 CC1=NC=C(C(N)=O)C=C1 27040 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 28858 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 28295 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 27009 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [0,1,0,0,0,0|1,1,0]=3 97 B10R1.13 NC1=CC=C(B(O)O)C=C1 26157 [0,1,0,0,0,0|1,0,1]=3 98 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,1,0,0,0,0|0,0,0]=1 99 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,1,0,0,0,0|0,0,1]=2 100 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 14327 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.13 NC1=CC=C([N+](=O)[O-])N=C1 26143 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 NC1=CN=C(C(=O)O)C=N1 19075 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 27035 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.13 NC1=NN=C(C(=O)O)C=C1 19168 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 27696 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,1,0,0,0,0|0,0,0]=1 110 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,1,0,0,0,0|0,0,0]=1 112 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 18713 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,1,0,0,0,0|0,0,1]=2 120 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=N1 28673 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 31760 [0,1,0,0,0,0|1,0,1]=3 123 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.13 O=[N+]([O-])C1=CC=[N+]([O-])C=C1 26995 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 27000 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 25556 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 24872 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 24841 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 28119 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.13 OB(O)C1=CC=C(Br)C=C1 26800 [0,1,0,0,0,0|1,0,1]=3 131 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 27554 [0,1,0,0,0,0|1,0,1]=3 132 B10R1.13 OB(O)C1=CC=C(F)C=C1 27553 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.13 OB(O)C1=CC=C(O)C=C1 31431 [0,1,0,0,0,0|1,0,1]=3 134 B10R1.13 OB(O)C1=CN=C(Br)C=C1 16994 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 16980 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.13 OB(O)C1=CN=C(F)C=C1 28736 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [0,1,0,0,0,0|0,0,0]=1 142 B10R1.15 COC(=O)C1=CC=CN=C1 27049 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.15 COC(=O)C1=CC=NC=C1 27058 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.15 COC(=O)C1=CC=NC=N1 24031 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.15 COC(=O)C1=NC=CC=C1 27538 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.15 NNC(=O)C1=CC=NC=C1 24518 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.15 NNC(=O)C1=CC=NC=N1 19495 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.15 NNC(=O)C1=CN=CC=N1 18219 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.15 N\C(=N/O)C1=CC=CC=N1 31357 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.15 N\C(=N/O)C1=CC=NC=C1 31360 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.15 N\C(=N\O)C1=CN=CC=C1 29137 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [0,1,0,0,0,0|0,0,2]=3 164 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [0,1,0,0,0,0|1,0,1]=3 165 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [0,1,0,0,0,0|1,0,1]=3 166 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 30377 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.28 O=S(=O)(Cl)C1=CC=CC=N1 17377 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.61 CC(=O)C1=C(N)C=CC=N1 17575 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.61 CC(=O)C1=CC=CN=C1Br 18013 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.61 CC(=O)C1=CC=CN=C1Cl 28803 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.61 CC(=O)C1=CC=CN=C1N 17315 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.61 CC1=C(B(O)O)C=CC=C1 24607 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.61 CC1=C(C(=O)O)C=CN=C1 17262 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 29254 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.61 CC1=CN=CC=C1[N+](=O)[O-] 28846 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] 18735 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.61 NC(=O)C1=C(N)C=CC=N1 18868 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 NC(=O)C1=C(N)C=NC=C1 26244 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.61 NC(=O)C1=CN=CC=C1N 26283 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [0,1,0,0,0,0|1,1,0]=3 190 B10R1.61 NC1=C([N+](=O)[O-])N=CC=C1 27636 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.61 NC1=CC=CN=C1C(=O)O 17022 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.61 NC1=CC=NC=C1C(=O)O 16977 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.61 NC1=CC=NC=C1[N+](=O)[O-] 28118 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.61 NC1=CN=CC=C1C(=O)O 16979 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.61 NC1=CN=NC=C1C(=O)O 20373 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.61 NC1=NC=CC=C1C(=O)O 27030 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.61 NC1=NC=NC=C1C(=O)O 17477 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 NC1=NN=CC=C1C(=O)O 18020 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.61 NC1=NN=CN=C1C(=O)O 20477 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 28502 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18059 [0,1,0,0,0,0|1,0,0]=2 202 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 31560 [0,1,0,0,0,0|0,0,0]=1 203 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 28530 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 27926 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 17679 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.61 O=C(O)C1=C(F)C=CC=C1 30015 [0,1,0,0,0,0|0,0,0]=1 207 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [0,1,0,0,0,0|0,0,0]=1 208 B10R1.61 O=C(O)C1=C(I)C=CC=N1 28576 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [0,1,0,0,0,0|0,0,0]=1 210 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [0,1,0,0,0,0|0,0,0]=1 211 B10R1.61 O=C(O)C1=C(S)C=CC=C1 24480 [0,1,0,0,0,0|0,0,0]=1 212 B10R1.61 O=C(O)C1=CC=CN=C1Cl 31902 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.61 O=C(O)C1=CC=CN=C1F 27581 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.61 O=C(O)C1=CC=NC=C1Br 17194 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.61 O=C(O)C1=CC=NC=C1I 26142 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [0,1,0,0,0,0|0,0,1]=2 218 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 27094 [0,1,0,0,0,0|1,0,1]=3 219 B10R1.61 O=[N+]([O-])C1=C(Br)C=NC=C1 28665 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 27099 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=N1 29070 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 27931 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.61 O=[N+]([O-])C1=C(O)C=NC=C1 28868 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br 28444 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Cl 27003 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O 28451 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.61 O=[N+]([O-])C1=CC=NC=C1Cl 28351 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.61 O=[N+]([O-])C1=CC=NC=C1F 24016 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.61 O=[N+]([O-])C1=CN=CC=C1Cl 28642 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Br 28445 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Cl 28350 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.61 O=[N+]([O-])C1=NC=CC=C1F 28854 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O 27015 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.61 OB(O)C1=C(Cl)N=CC=C1 28689 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.61 OB(O)C1=C(F)N=CC=C1 28818 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.61 OB(O)C1=CC=CC=C1Br 31066 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.61 OB(O)C1=CC=CC=C1Br 31430 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 28669 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 29041 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 28308 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.113 CC1=CC([N+](=O)[O-])=CC=N1 28698 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.113 CC1=CC([N+](=O)[O-])=NC=C1 28857 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [0,1,0,0,0,0|0,0,0]=1 252 B10R1.113 CC1=CC=NC(B(O)O)=C1 17489 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.113 CC1=NC(B(O)O)=CC=C1 17516 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 CC1=NC([N+](=O)[O-])=CC=C1 28863 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.113 NC(=O)C1=CC(N)=NC=C1 28791 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 26992 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 26110 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.113 NC1=CC(B(O)O)=CC=C1 27141 [0,1,0,0,0,0|1,0,1]=3 269 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [0,1,0,0,0,0|0,0,0]=1 270 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.113 NC1=CC([N+](=O)[O-])=CN=C1 19141 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.113 NC1=NC(C(=O)O)=CC=N1 26235 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.113 NC1=NC([N+](=O)[O-])=CC=C1 19235 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 18075 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [0,1,0,0,0,0|0,0,0]=1 279 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [0,1,0,0,0,0|0,0,0]=1 281 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [0,1,0,0,0,0|1,0,0]=2 283 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 18712 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [0,1,0,0,0,0|1,0,0]=2 286 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [0,1,0,0,0,0|1,0,0]=2 287 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [0,1,0,0,0,0|1,0,0]=2 288 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [0,1,0,0,0,0|1,0,0]=2 289 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 27497 [0,1,0,0,0,0|1,0,1]=3 290 B10R1.113 O=[N+]([O-])C1=CC(F)=NC=C1 28836 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 27106 [0,1,0,0,0,0|1,0,1]=3 292 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 21241 [0,1,0,0,0,0|1,0,1]=3 293 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 26183 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.113 O=[N+]([O-])C1=CC=NC(Br)=C1 28779 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.113 O=[N+]([O-])C1=CC=NC(Cl)=C1 26078 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.113 O=[N+]([O-])C1=CN=CC(Br)=C1 28864 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.113 O=[N+]([O-])C1=NC(Br)=CC=C1 28248 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 31440 [0,1,0,0,0,0|1,0,1]=3 299 B10R1.113 OB(O)C1=CC(F)=CC=C1 31441 [0,1,0,0,0,0|1,0,1]=3 300 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31067 [0,1,0,0,0,0|1,0,1]=3 301 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31433 [0,1,0,0,0,0|1,0,1]=3 302 B10R1.113 OB(O)C1=CC=NC(F)=C1 26181 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.113 OB(O)C1=CN=CC(Br)=C1 28658 [0,1,0,0,0,0|2,0,1]=4 304 B8R1.7 CC(=O)C1=CC=CO1 29786 [0,0,0,0,1,0|2,0,0]=3 305 B8R1.7 CC(=O)C1=CSC=C1 26949 [0,0,0,0,1,0|2,0,0]=3 306 B8R1.7 CC(=O)C1=NC=CS1 24493 [0,0,0,0,1,0|3,0,0]=4 307 B8R1.7 CC(=O)N1C=CN=C1 02273 [0,0,0,0,1,0|3,0,0]=4 308 B8R1.7 NC(=O)C1=CN=CO1 20849 [0,0,0,0,1,0|3,0,0]=4 309 B8R1.7 NC(=O)C1=CN=CS1 26207 [0,0,0,0,1,0|3,0,0]=4 310 B8R1.7 NC(=O)C1=CSC=N1 20877 [0,0,0,0,1,0|3,0,0]=4 311 B8R1.7 NC(=O)C1=NC=CO1 20846 [0,0,0,0,1,0|3,0,0]=4 312 B8R1.7 O=C(O)C1=CC=CN1 24486 [0,0,0,0,1,0|1,0,0]=2 313 B8R1.7 O=C(O)C1=CC=CO1 31538 [0,0,0,0,1,0|1,0,0]=2 314 B8R1.7 O=C(O)C1=CC=NN1 17336 [0,0,0,0,1,0|2,0,0]=3 315 B8R1.7 O=C(O)C1=CN=CO1 17808 [0,0,0,0,1,0|2,0,0]=3 316 B8R1.7 O=C(O)C1=CN=CS1 17129 [0,0,0,0,1,0|2,0,0]=3 317 B8R1.7 O=C(O)C1=CNC=N1 29769 [0,0,0,0,1,0|2,0,0]=3 318 B8R1.7 O=C(O)C1=COC=C1 26942 [0,0,0,0,1,0|1,0,0]=2 319 B8R1.7 O=C(O)C1=COC=N1 17539 [0,0,0,0,1,0|2,0,0]=3 320 B8R1.7 O=C(O)C1=CON=C1 18200 [0,0,0,0,1,0|2,0,0]=3 321 B8R1.7 O=C(O)C1=CSC=C1 16738 [0,0,0,0,1,0|1,0,0]=2 322 B8R1.7 O=C(O)C1=CSC=C1 26948 [0,0,0,0,1,0|1,0,0]=2 323 B8R1.7 O=C(O)C1=CSC=N1 17027 [0,0,0,0,1,0|2,0,0]=3 324 B8R1.7 O=C(O)C1=NC=CO1 19468 [0,0,0,0,1,0|2,0,0]=3 325 B8R1.7 O=C(O)C1=NC=CS1 17814 [0,0,0,0,1,0|2,0,0]=3 326 B8R1.7 O=C(O)C1=NNC=N1 16998 [0,0,0,0,1,0|3,0,0]=4 327 B8R1.7 O=C(O)C1=NOC=C1 17364 [0,0,0,0,1,0|2,0,0]=3 328 B8R1.7 O=C(O)C1=NSN=C1 17570 [0,0,0,0,1,0|3,0,0]=4 329 B8R1.7 O=C(O)C1C=CCN1 07036 [0,0,0,0,1,0|1,0,2]=4 330 B8R1.7 O=C(O)[C@@H]1C=CCN1 02563 [0,0,0,0,1,0|1,0,2]=4 331 B8R1.7 O=[N+]([O-])C1=CC=CS1 24987 [0,0,0,0,1,0|2,0,1]=4 332 B8R1.7 OB(O)C1=CSC=C1 28088 [0,0,0,0,1,0|2,0,1]=4 333 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [0,0,0,0,0,1|2,0,0]=3 334 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,0,0,0,0,1|2,0,0]=3 335 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [0,0,0,0,0,1|1,0,0]=2 336 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [0,0,0,0,0,1|2,0,0]=3 337 B10R1.18 NC(=S)NC1=NC=CC=C1 24854 [0,0,0,0,0,1|2,1,0]=4 338 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [0,0,0,0,0,1|1,0,0]=2 339 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [0,0,0,0,0,1|1,0,0]=2 340 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [0,0,0,0,0,1|1,1,0]=3 341 B7R0.4 C\C=C\C=C\C(=O)O 01526 [1,0,1,0,0,0|0,0,1]=3 342 B7R0.4 C\C=C\C=C\C(=O)[O-] 22224 [1,0,1,0,0,0|0,0,2]=4 343 B7R1.3 BrC1=CC=CN=C1 27044 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.3 BrC1=CC=CN=C1 29560 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.3 BrC1=CC=NC=C1 28252 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.3 BrC1=NC=CC=C1 30363 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.3 CC1=CC=CC=C1 01740 [2,0,0,0,0,0|0,0,1]=3 348 B7R1.3 CC1=CC=CC=C1 30234 [2,0,0,0,0,0|0,0,1]=3 349 B7R1.3 CC1=CC=CN=C1 27052 [2,0,0,0,0,0|1,0,1]=4 350 B7R1.3 CC1=CC=NC=C1 29179 [2,0,0,0,0,0|1,0,1]=4 351 B7R1.3 CC1=NC=CC=C1 27038 [2,0,0,0,0,0|1,0,1]=4 352 B7R1.3 ClC1=CC=CN=C1 27046 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.3 ClC1=CC=NC=C1 27337 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.3 ClC1=NC=CC=C1 32073 [2,0,0,0,0,0|2,0,0]=4 355 B7R1.3 FC1=CC=CN=C1 27045 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 FC1=NC=CC=C1 27001 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 IC1=CC=CC=N1 30769 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.3 IC1=CC=CN=C1 22280 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 NC1=CC=NC=C1 27983 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.3 NC1=NC=CC=C1 27027 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.3 O=C1C=CNC=N1 27537 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 OC1=CC=CN=C1 02324 [2,0,0,0,0,0|1,0,0]=3 363 B7R1.3 OC1=NC=CC=C1 02323 [2,0,0,0,0,0|1,0,0]=3 364 B7R1.3 OC1=NC=CC=N1 28592 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 SC1=NC=CC=C1 12993 [2,0,0,0,0,0|1,1,0]=4 366 B7R1.3 [O-][N+]1=CC=CC=C1 26988 [2,0,0,0,0,0|1,0,1]=4 367 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [2,0,0,0,0,0|0,1,0]=3 368 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [1,1,0,0,0,0|1,0,1]=4 369 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.1 CC1=CC=C(CO)C=C1 15163 [1,1,0,0,0,0|0,0,1]=3 372 B9R1.1 CC1=CN=C(C=O)C=N1 26660 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.1 CNC1=CC=C(O)C=C1 32029 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 COC1=CC=C(Br)C=C1 30359 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 COC1=CC=C(C)C=C1 27173 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.1 COC1=CC=C(F)C=C1 30024 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 NC1=CC=C(CO)C=C1 29757 [1,1,0,0,0,0|0,0,1]=3 379 B9R1.1 NCC1=CC=C(O)C=C1 17203 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 NNC1=CC=C(F)C=C1 31299 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [1,1,0,0,0,0|0,0,0]=2 383 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [1,1,0,0,0,0|0,0,0]=2 384 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [1,1,0,0,0,0|0,0,0]=2 385 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [1,1,0,0,0,0|0,0,0]=2 386 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [1,1,0,0,0,0|0,0,0]=2 387 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [1,1,0,0,0,0|0,0,0]=2 388 B9R1.1 O=CC1=CN=C(Br)C=C1 31251 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.1 O=CC1=CN=C(Cl)C=C1 31273 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [1,1,0,0,0,0|0,0,1]=3 391 B9R1.1 OCC1=CC=C(F)C=C1 30025 [1,1,0,0,0,0|0,0,1]=3 392 B9R1.1 OCC1=CC=C(O)C=C1 00198 [1,1,0,0,0,0|0,0,1]=3 393 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [1,1,0,0,0,0|1,0,1]=4 394 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.2 C#CC1=CC=CC(N)=C1 27389 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.2 CCC1=CC=CC(O)=C1 26816 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.2 CCC1=CC=CC(O)=C1 29553 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.2 COC1=CC=CC(Br)=C1 21480 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.2 COC1=CC=CC(F)=C1 30017 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.2 COC1=CC=CC(O)=C1 00432 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.2 N#CC1=CC=CC(N)=C1 27142 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.2 NCC1=CC(I)=CC=C1 28182 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.2 NCC1=CC=CC(I)=C1 27339 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [1,1,0,0,0,0|0,0,0]=2 410 B9R1.2 O=CC1=CC(Br)=NC=C1 28825 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [1,1,0,0,0,0|0,0,0]=2 412 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [1,1,0,0,0,0|0,0,0]=2 413 B9R1.2 O=CC1=CC(F)=NC=C1 26194 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [1,1,0,0,0,0|0,0,0]=2 415 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.2 O=CC1=CC=CC(Br)=N1 16982 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.2 OCC1=CC(F)=CC=C1 31155 [1,1,0,0,0,0|0,0,1]=3 418 B9R1.2 OCC1=NC(Br)=CC=C1 24708 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.8 CCCC1=CC=CC=C1 27219 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.8 CCCC1=CC=CC=C1 29530 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.8 CCOC1=CC=CC=C1 30856 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.8 CNCC1=CC=CC=C1 23236 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.8 COCC1=CC=CN=C1 29457 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.8 COCC1=CC=NC=C1 29392 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.8 COCC1=NC=CC=C1 27516 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.8 NCCC1=CC=CC=C1 21747 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.8 NOCC1=CC=CC=C1 02279 [1,1,0,0,0,0|0,0,1]=3 428 B9R1.8 OCCC1=CC=CC=C1 01623 [1,1,0,0,0,0|0,0,1]=3 429 B9R1.8 ONCC1=CC=CC=C1 31261 [1,1,0,0,0,0|0,0,1]=3 430 B9R1.8 O\N=C\C1=NC=CC=C1 00944 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.8 O\N=C\C1=NC=CC=C1 28129 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,1,0,0,0,0|0,1,1]=4 433 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.15 CC1=NC=CN=C1C=O 26658 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 CCC1=C(O)C=CC=C1 26809 [1,1,0,0,0,0|1,0,1]=4 436 B9R1.15 COC1=C(Br)C=CC=C1 30420 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.15 COC1=C(F)C=CC=C1 30023 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.15 COC1=C(I)C=CC=C1 26768 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.15 NC1=C(C=O)C=CC=N1 28552 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.15 NC1=C(C=O)C=CN=C1 17082 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.15 NC1=C(CO)C=CC=N1 17074 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.15 NC1=CC=NC=C1C=O 17064 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.15 NC1=CC=NC=C1C=O 18057 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.15 NC1=CN=CC=C1CO 17398 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.15 NC1=NC=CC=C1C=O 17970 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [1,1,0,0,0,0|0,0,0]=2 450 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [1,1,0,0,0,0|0,0,0]=2 451 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [1,1,0,0,0,0|0,0,0]=2 452 B9R1.15 O=CC1=CN=CC=C1Cl 28845 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.15 O=CC1=NC=CN=C1Cl 20124 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [1,1,0,0,0,0|0,0,1]=3 455 B9R1.15 OCC1=C(F)C=CC=C1 31154 [1,1,0,0,0,0|0,0,1]=3 456 B9R1.15 OCC1=CC=CN=C1Cl 17223 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.15 OCC1=NC=CC=C1O 27043 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.11 COC(=O)C1=CC=CN1 28422 [0,1,0,0,1,0|1,0,0]=3 459 B9R1.11 COC(=O)C1=CN=CS1 26172 [0,1,0,0,1,0|2,0,0]=4 460 B9R1.11 COC(=O)C1=COC=C1 28925 [0,1,0,0,1,0|1,0,0]=3 461 B9R1.11 NNC(=O)C1=CC=CS1 02877 [0,1,0,0,1,0|2,0,0]=4 462 B9R1.11 O=C(O[Cu])C1=CC=CS1 31864 [0,1,0,0,1,0|1,0,0]=3 463 B9R1.35 CC(=O)C1=CC=C(Br)S1 27378 [0,1,0,0,1,0|2,0,0]=4 464 B9R1.35 CC1=CC(C(=O)O)=NO1 25497 [0,1,0,0,1,0|2,0,0]=4 465 B9R1.35 CC1=NC(C(=O)O)=CS1 17250 [0,1,0,0,1,0|2,0,0]=4 466 B9R1.35 CC1=NNC(C(=O)O)=C1 24692 [0,1,0,0,1,0|2,0,0]=4 467 B9R1.35 CN1C=CC(C(=O)O)=N1 17051 [0,1,0,0,1,0|2,0,0]=4 468 B9R1.35 NC1=NC(C(=O)O)=CS1 17055 [0,1,0,0,1,0|2,0,0]=4 469 B9R1.35 O=C(O)C1=CC=C(Br)S1 27864 [0,1,0,0,1,0|1,0,0]=3 470 B9R1.35 O=C(O)C1=CC=C(Cl)S1 27602 [0,1,0,0,1,0|1,0,0]=3 471 B9R1.35 O=C(O)C1=CN=C(Br)S1 24728 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.35 O=C(O)C1=CSC(Br)=C1 30711 [0,1,0,0,1,0|1,0,0]=3 473 B9R1.35 O=C(O)C1=CSC(Br)=N1 24727 [0,1,0,0,1,0|2,0,0]=4 474 B9R1.35 O=C1C=C(C(=O)O)CC1 24056 [0,1,0,0,1,0|0,0,2]=4 475 B9R1.35 O=C1NC=C(C(=O)O)N1 17662 [0,1,0,0,1,0|2,0,0]=4 476 B9R1.41 CC1=C(C(=O)O)C=NO1 25805 [0,1,0,0,1,0|2,0,0]=4 477 B9R1.41 CC1=C(C(=O)O)N=CO1 26237 [0,1,0,0,1,0|2,0,0]=4 478 B9R1.41 CC1=C(C(=O)O)N=CS1 19136 [0,1,0,0,1,0|2,0,0]=4 479 B9R1.41 CC1=C(C(=O)O)SC=N1 25977 [0,1,0,0,1,0|2,0,0]=4 480 B9R1.41 CC1=NNC=C1C(=O)O 24720 [0,1,0,0,1,0|2,0,0]=4 481 B9R1.41 CC1=NOC=C1C(=O)O 17198 [0,1,0,0,1,0|2,0,0]=4 482 B9R1.41 CN1C=CN=C1C(=O)O 11564 [0,1,0,0,1,0|2,0,0]=4 483 B9R1.41 CN1N=CC=C1C(=O)O 17033 [0,1,0,0,1,0|2,0,0]=4 484 B9R1.41 NC1=NNC=C1C(=O)O 30826 [0,1,0,0,1,0|2,0,0]=4 485 B9R1.41 O=C(O)C1=C(Br)C=CS1 27708 [0,1,0,0,1,0|1,0,0]=3 486 B9R1.41 O=C(O)C1=C(Br)SC=C1 30710 [0,1,0,0,1,0|1,0,0]=3 487 B9R1.41 O=C(O)C1=CSC=C1Br 17701 [0,1,0,0,1,0|1,0,0]=3 488 B9R1.41 O=C(O)C1=NNC=C1Br 26138 [0,1,0,0,1,0|2,0,0]=4 489 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [0,1,0,0,0,1|1,0,0]=3 490 B11R1.20 CC(=O)NC1=CC=C(Br)C=N1 25899 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.20 CC(=O)NC1=CC=C(F)C=N1 28895 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,1,0,0,0,1|0,0,0]=2 493 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 20841 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 24846 [0,1,0,0,0,1|1,1,0]=4 495 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 24847 [0,1,0,0,0,1|1,1,0]=4 496 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 24848 [0,1,0,0,0,1|1,1,0]=4 497 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 02881 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,1,0,0,0,1|0,0,0]=2 499 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,1,0,0,0,1|0,0,0]=2 500 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,1,0,0,0,1|0,0,0]=2 501 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,1,0,0,0,1|0,0,0]=2 502 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,1,0,0,0,1|0,0,0]=2 503 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [0,1,0,0,0,1|1,0,0]=3 504 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 24586 [0,1,0,0,0,1|0,0,0]=2 505 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 24585 [0,1,0,0,0,1|0,0,0]=2 506 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [0,1,0,0,0,1|1,0,0]=3 508 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 03537 [0,1,0,0,0,1|0,0,0]=2 510 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 11938 [0,1,0,0,0,1|0,0,2]=4 511 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 01317 [0,1,0,0,0,1|0,0,0]=2 512 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [0,1,0,0,0,1|0,0,0]=2 513 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [0,1,0,0,0,1|0,0,0]=2 514 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [0,1,0,0,0,1|0,0,0]=2 515 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [0,1,0,0,0,1|0,0,0]=2 516 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,1,0,0,0,1|0,0,0]=2 517 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,1,0,0,0,1|1,0,1]=4 518 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,1,0,0,0,1|1,0,1]=4 519 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,1,0,0,0,1|1,0,1]=4 520 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 27093 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [0,1,0,0,0,1|1,1,0]=4 525 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 20803 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 20806 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 24851 [0,1,0,0,0,1|1,1,0]=4 528 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [0,1,0,0,0,1|0,0,0]=2 529 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [0,1,0,0,0,1|0,0,0]=2 530 B11R1.86 O=C(O)CN1C=CC=NC1=O 25013 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 30864 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 27900 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 24850 [0,1,0,0,0,1|1,1,0]=4 534 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [0,1,0,0,0,1|1,0,0]=3 535 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,1,0,0,0,1|0,0,0]=2 536 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,1,0,0,0,1|0,0,0]=2 537 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 30439 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.509 O=P([O-])([O-])OC1=CC=CC=C1 01487 [0,1,0,0,0,1|1,0,1]=4 539 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 23234 [0,1,0,0,0,1|1,0,1]=4 540 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 00632 [0,1,0,0,0,1|1,0,1]=4 541 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 18069 [0,2,0,0,0,0|0,0,0]=2 542 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 04906 [0,2,0,0,0,0|0,0,0]=2 543 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 22537 [0,2,0,0,0,0|0,0,0]=2 544 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 18068 [0,2,0,0,0,0|1,1,0]=4 545 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 31346 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.3 COC1=CC=C(B(O)O)C=C1 27556 [0,2,0,0,0,0|1,0,1]=4 547 B11R1.3 COC1=CC=C(C(=N)N)C=C1 19012 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.3 COC1=CC=C(C(=O)O)C=C1 30356 [0,2,0,0,0,0|0,0,0]=2 549 B11R1.3 COC1=CC=C(C(=O)O)N=N1 26301 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.3 COC1=CC=C(C(C)=O)C=C1 30355 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.3 COC1=CC=C(C(N)=S)C=C1 25691 [0,2,0,0,0,0|1,1,0]=4 552 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 30859 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 28497 [0,2,0,0,0,0|1,0,1]=4 554 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 31257 [0,2,0,0,0,0|1,0,1]=4 555 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 14307 [0,2,0,0,0,0|0,0,0]=2 556 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 21971 [0,2,0,0,0,0|1,0,1]=4 557 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 28787 [0,2,0,0,0,0|1,0,0]=3 558 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 30427 [0,2,0,0,0,0|0,0,0]=2 559 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 02318 [0,2,0,0,0,0|0,0,0]=2 560 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 21608 [0,2,0,0,0,0|0,0,0]=2 561 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 31437 [0,2,0,0,0,0|1,0,1]=4 562 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 27092 [0,2,0,0,0,0|0,0,0]=2 563 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 24528 [0,2,0,0,0,0|1,0,1]=4 564 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 01493 [0,2,0,0,0,0|1,0,1]=4 565 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 00836 [0,2,0,0,0,0|1,0,1]=4 566 B11R1.3 OCC1=CC=C(B(O)O)C=C1 16612 [0,2,0,0,0,0|1,0,1]=4 567 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 00490 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 02359 [0,2,0,0,0,0|1,0,0]=3 569 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 30097 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 31232 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 31532 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 01278 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 30007 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 31284 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 31288 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 27501 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 27503 [0,2,0,0,0,0|1,0,1]=4 578 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 27565 [0,2,0,0,0,0|1,0,1]=4 579 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 27672 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 00277 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 22234 [0,2,0,0,0,0|1,0,1]=4 582 B11R1.19 O=S(=O)([O-])C1=CC=C(I)C=C1 23783 [0,2,0,0,0,0|1,0,1]=4 583 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 26808 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 30403 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 24169 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 29418 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.21 CC(=O)C1=CC=C(C)C(Br)=C1 28652 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 27105 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 26089 [0,2,0,0,0,0|0,0,0]=2 590 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 26836 [0,2,0,0,0,0|0,0,0]=2 591 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 27650 [0,2,0,0,0,0|0,0,0]=2 592 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 27654 [0,2,0,0,0,0|0,0,0]=2 593 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 27242 [0,2,0,0,0,0|0,0,0]=2 594 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 27690 [0,2,0,0,0,0|1,0,1]=4 595 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 27138 [0,2,0,0,0,0|0,0,0]=2 596 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 27137 [0,2,0,0,0,0|0,0,0]=2 597 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 27136 [0,2,0,0,0,0|1,0,1]=4 598 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 26832 [0,2,0,0,0,0|0,0,0]=2 599 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 28602 [0,2,0,0,0,0|0,0,0]=2 600 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 18853 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.21 CC1=CC=C(C(=N)N)C=C1I 29274 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.21 N=C(N)C1=CC(Cl)=C(F)C=C1 20118 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 20243 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 20109 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 20081 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 31573 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 28729 [0,2,0,0,0,0|0,0,0]=2 608 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 29313 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 28357 [0,2,0,0,0,0|0,0,0]=2 610 B11R1.21 NC1=C(Cl)C=C([N+](=O)[O-])C=C1 29929 [0,2,0,0,0,0|1,0,1]=4 611 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 31569 [0,2,0,0,0,0|0,0,0]=2 612 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 24532 [0,2,0,0,0,0|0,0,0]=2 613 B11R1.21 O=C(O)C1=CC(Br)=C(O)C=C1 29089 [0,2,0,0,0,0|0,0,0]=2 614 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 29094 [0,2,0,0,0,0|0,0,0]=2 615 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 26840 [0,2,0,0,0,0|0,0,0]=2 616 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 21881 [0,2,0,0,0,0|0,0,0]=2 617 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 17497 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 27836 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 27720 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.21 OB(O)C1=CC=C(Cl)C(Cl)=C1 28466 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.22 CC1=CC=C(C(=O)C#N)C=C1 19478 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 25958 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.22 CC1=CC=C(C(O)CN)C=C1 23754 [0,2,0,0,0,0|1,0,1]=4 625 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 26760 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 24955 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 30432 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 28838 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.22 COC(=O)C1=CC=C(F)C=C1 30021 [0,2,0,0,0,0|0,0,0]=2 631 B11R1.22 COC(=O)C1=CC=C(I)C=C1 27404 [0,2,0,0,0,0|0,0,0]=2 632 B11R1.22 COC(=O)C1=CN=C(C)C=C1 30854 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 27477 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.22 COC(=O)C1=COC(=O)C=C1 27235 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.22 N#CC(=O)C1=CC=C(Cl)C=C1 18293 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 18296 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 28481 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 23683 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.22 NCC(O)C1=CC=C(F)C=C1 23414 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.22 NCC(O)C1=CC=C(O)C=C1 30438 [0,2,0,0,0,0|1,0,1]=4 641 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 24950 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 27125 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 24437 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 26759 [0,2,0,0,0,0|1,0,0]=3 645 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 27587 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 30340 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23039 [0,2,0,0,0,0|0,0,1]=3 648 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 23040 [0,2,0,0,0,0|0,0,1]=3 649 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29048 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 26815 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 26753 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 30402 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 24972 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 26813 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.166 CC(=O)C1=CC=C(Br)C=C1C 29316 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.166 CC(=O)C1=CC=C(C)C=C1O 24914 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 23951 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=C1 28643 [0,2,0,0,0,0|1,0,1]=4 659 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 27653 [0,2,0,0,0,0|0,0,0]=2 660 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 17475 [0,2,0,0,0,0|0,0,0]=2 661 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 28616 [0,2,0,0,0,0|0,0,0]=2 662 B11R1.166 CC1=C(C(=O)O)N=CC(Br)=C1 26218 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Br)=C1 27974 [0,2,0,0,0,0|1,0,1]=4 664 B11R1.166 CC1=C([N+](=O)[O-])C=CC(F)=C1 21868 [0,2,0,0,0,0|1,0,1]=4 665 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 17346 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 21902 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 26826 [0,2,0,0,0,0|0,0,0]=2 668 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 28741 [0,2,0,0,0,0|1,0,1]=4 669 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 21264 [0,2,0,0,0,0|1,0,1]=4 670 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 29221 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 29907 [0,2,0,0,0,0|0,0,0]=2 672 B11R1.166 CC1=CC(O)=CC=C1B(O)O 26171 [0,2,0,0,0,0|1,0,1]=4 673 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 19944 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 18665 [0,2,0,0,0,0|1,0,0]=3 675 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 20241 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 19941 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 20267 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 20006 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.166 N=C(N)C1=CC=C(F)C=C1F 19942 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 21237 [0,2,0,0,0,0|0,0,0]=2 681 B11R1.166 NC1=CC(Br)=C([N+](=O)[O-])C=C1 29056 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 31570 [0,2,0,0,0,0|0,0,0]=2 683 B11R1.166 NC1=CC(Cl)=C([N+](=O)[O-])C=C1 27889 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O 21851 [0,2,0,0,0,0|0,0,0]=2 685 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 24633 [0,2,0,0,0,0|0,0,0]=2 686 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 02102 [0,2,0,0,0,0|0,0,0]=2 687 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 29881 [0,2,0,0,0,0|0,0,1]=3 688 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 28942 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 27590 [0,2,0,0,0,0|0,0,0]=2 690 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 31563 [0,2,0,0,0,0|0,0,0]=2 691 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 23268 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 31153 [0,2,0,0,0,0|0,0,0]=2 693 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 28404 [0,2,0,0,0,0|0,0,0]=2 694 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 24579 [0,2,0,0,0,0|0,0,0]=2 695 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl 28905 [0,2,0,0,0,0|0,0,0]=2 696 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(Cl)C=C1 19991 [0,2,0,0,0,0|1,0,1]=4 697 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 17478 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 31976 [0,2,0,0,0,0|1,0,1]=4 699 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1I 29335 [0,2,0,0,0,0|1,0,1]=4 700 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 31443 [0,2,0,0,0,0|1,0,1]=4 701 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl 27366 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 29493 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.7 CC(O)(CN)C1=CC=CC=C1 19753 [0,2,0,0,0,0|1,0,1]=4 704 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 27505 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 27122 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.12 COC(OC)C1=CC=CC=C1 27180 [0,2,0,0,0,0|0,0,2]=4 707 B11R1.16 CCOC(=N)C1=CC=NC=C1 26199 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.16 CCOC(=O)C1=CC=CN=C1 27050 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.16 CCOC(=O)C1=CC=NC=C1 27059 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.16 CCOC(=O)C1=NC=CC=C1 27024 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.16 CCOC(=O)C1=NC=CN=C1 28399 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.16 N#CCC(=O)C1=CC=CC=C1 24454 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.16 N#CCC(=O)C1=CC=NC=C1 18927 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.16 N#C\C=C(/Cl)C1=CC=CC=C1 24975 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.16 O=C(CCCl)C1=CC=CC=C1 26765 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.16 O=C(OCCl)C1=CC=CC=C1 19364 [0,2,0,0,0,0|0,0,0]=2 721 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 26801 [0,2,0,0,0,0|0,0,0]=2 722 B11R1.23 CC1=CC=CC(C(=O)C#N)=C1 19476 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.23 COC(=O)C1=CC(N)=NC=C1 28826 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 28926 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 28103 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.23 COC(=O)C1=CC=CC(N)=N1 28236 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 25549 [0,2,0,0,0,0|1,0,0]=3 729 B11R1.23 COC(=O)C1=CN=CC(N)=C1 18099 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.23 COC(=O)C1=NC(C)=CC=C1 28924 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.23 N#CC(=O)C1=CC(Br)=CC=C1 18270 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.23 N#CC(=O)C1=CC=CC(Cl)=C1 17824 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.23 NCC(O)C1=CC=CC(O)=C1 32497 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 25032 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 27875 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 24427 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [0,2,0,0,0,0|1,0,1]=4 739 B11R1.222 CC1=CC=CC=C1C(=O)C#N 19477 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.222 COC(=O)C1=C(I)C=CC=C1 30029 [0,2,0,0,0,0|0,0,0]=2 741 B11R1.222 COC(=O)C1=C(N)C=NC=C1 17257 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.222 COC(=O)C1=CC=CN=C1N 17330 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.222 COC(=O)C1=NC=CN=C1N 24553 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.222 N#CC(=O)C1=C(F)C=CC=C1 18246 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Cl 28420 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.87 NC1=CC=CC=C1S(N)(=O)=O 17078 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 28137 [0,2,0,0,0,0|1,0,1]=4 749 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CC=C1 27701 [0,2,0,0,0,0|1,0,1]=4 750 B11R1.155 CS(=O)(=O)C1=CC=CC(Br)=C1 28719 [0,2,0,0,0,0|1,0,1]=4 751 B11R1.155 O=S(=O)(O)C1=CC(I)=CC=C1 23850 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.53 COC1=C(B(O)O)C=CC=C1 30879 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.53 COC1=C(B(O)O)C=CC=C1 31432 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.53 COC1=C(C(=O)O)C=CC=C1 24458 [0,2,0,0,0,0|0,0,0]=2 755 B11R1.53 COC1=CC=CC=C1C(=N)N 18733 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 27898 [0,2,0,0,0,0|0,0,0]=2 757 B11R1.53 O=CC1=C([N+](=O)[O-])C=CC=C1 04896 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.53 O=CC1=CC=CC=C1B(O)O 31895 [0,2,0,0,0,0|1,0,1]=4 759 B11R1.53 O=[N+]([O-])C1=C(SCl)C=CC=C1 02335 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 21959 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.156 CC1=C(C(=O)O)C(Br)=CC=C1 28489 [0,2,0,0,0,0|0,0,0]=2 762 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O 27647 [0,2,0,0,0,0|0,0,0]=2 763 B11R1.156 CC1=CC=CC(N)=C1C(=O)O 27148 [0,2,0,0,0,0|0,0,0]=2 764 B11R1.156 CC1=CC=CC(O)=C1[N+](=O)[O-] 21541 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.156 CC1=NC=CC(C)=C1C(=O)O 17376 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl 19946 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 20013 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O 21260 [0,2,0,0,0,0|0,0,0]=2 769 B11R1.156 NC1=CC=CC(F)=C1C(=O)O 24600 [0,2,0,0,0,0|0,0,0]=2 770 B11R1.156 O=C(O)C1=C(Br)C=NC=C1Br 29124 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.156 O=C(O)C1=C(F)C=NC=C1F 28886 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.156 O=[N+]([O-])C1=C(O)C=CC=C1O 27101 [0,2,0,0,0,0|1,0,1]=4 773 B11R1.159 CC(=O)C1=CC=CC(F)=C1O 24402 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.159 CC(=O)C1=CC=NC(Cl)=C1N 17875 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 27861 [0,2,0,0,0,0|0,0,0]=2 776 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O 26118 [0,2,0,0,0,0|0,0,0]=2 777 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 27721 [0,2,0,0,0,0|0,0,0]=2 778 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 28377 [0,2,0,0,0,0|0,0,0]=2 779 B11R1.159 CC1=C(Cl)C(C(=O)O)=CC=C1 27865 [0,2,0,0,0,0|0,0,0]=2 780 B11R1.159 CC1=C(I)C([N+](=O)[O-])=CC=C1 27899 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.159 CC1=C(I)C=CC=C1C(=O)O 28302 [0,2,0,0,0,0|0,0,0]=2 782 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 27140 [0,2,0,0,0,0|0,0,0]=2 783 B11R1.159 CC1=C(N)C([N+](=O)[O-])=CC=C1 27139 [0,2,0,0,0,0|1,0,1]=4 784 B11R1.159 CC1=C(N)C=CC=C1C(=O)O 27829 [0,2,0,0,0,0|0,0,0]=2 785 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1Br 27230 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1F 21805 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.159 CC1=CC=CC(C(=O)O)=C1O 26822 [0,2,0,0,0,0|0,0,0]=2 788 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1Br 27956 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1Cl 27959 [0,2,0,0,0,0|1,0,1]=4 790 B11R1.159 N=C(N)C1=CC=CC(F)=C1F 19931 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 27240 [0,2,0,0,0,0|0,0,0]=2 792 B11R1.159 NC1=C(O)C=CC=C1[N+](=O)[O-] 27253 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 28171 [0,2,0,0,0,0|0,0,0]=2 794 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 29440 [0,2,0,0,0,0|0,0,0]=2 795 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 31152 [0,2,0,0,0,0|0,0,0]=2 796 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 31181 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 26011 [0,2,0,0,0,0|1,0,0]=3 798 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 24651 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 24864 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O 26010 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 28928 [0,2,0,0,0,0|0,0,0]=2 802 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 29214 [0,2,0,0,0,0|0,0,0]=2 803 B11R1.167 CC1=C([N+](=O)[O-])C=C(N)C=C1 21926 [0,2,0,0,0,0|1,0,1]=4 804 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 27152 [0,2,0,0,0,0|0,0,0]=2 805 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 27862 [0,2,0,0,0,0|0,0,0]=2 806 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O 28296 [0,2,0,0,0,0|0,0,0]=2 807 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] 29872 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 27651 [0,2,0,0,0,0|0,0,0]=2 809 B11R1.167 CC1=CC=C(Cl)C=C1[N+](=O)[O-] 21236 [0,2,0,0,0,0|1,0,1]=4 810 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 20401 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.167 CC1=CC=C(F)C=C1[N+](=O)[O-] 21963 [0,2,0,0,0,0|1,0,1]=4 812 B11R1.167 CC1=CC=C(I)C=C1C(=O)O 31957 [0,2,0,0,0,0|0,0,0]=2 813 B11R1.167 CC1=CC=C(O)C=C1[N+](=O)[O-] 22020 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 24025 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 20393 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.167 N=C(N)C1=CC(Br)=CC=C1F 20383 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 21240 [0,2,0,0,0,0|0,0,0]=2 818 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 27149 [0,2,0,0,0,0|0,0,0]=2 819 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 29523 [0,2,0,0,0,0|0,0,0]=2 820 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 21254 [0,2,0,0,0,0|0,0,0]=2 821 B11R1.167 NC1=C([N+](=O)[O-])C=C(Br)C=C1 31975 [0,2,0,0,0,0|1,0,1]=4 822 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 31571 [0,2,0,0,0,0|0,0,0]=2 823 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 19066 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 31581 [0,2,0,0,0,0|0,0,0]=2 825 B11R1.167 NC1=CC=C(F)C=C1C(=O)O 24582 [0,2,0,0,0,0|0,0,0]=2 826 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O 28970 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 19068 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 27368 [0,2,0,0,0,0|0,0,0]=2 829 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 28998 [0,2,0,0,0,0|0,0,0]=2 830 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 28107 [0,2,0,0,0,0|0,0,0]=2 831 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 28820 [0,2,0,0,0,0|0,0,0]=2 832 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 26824 [0,2,0,0,0,0|0,0,0]=2 833 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 26825 [0,2,0,0,0,0|0,0,0]=2 834 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I 31946 [0,2,0,0,0,0|0,0,0]=2 835 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F 31169 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 28344 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl 28676 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br 27859 [0,2,0,0,0,0|0,0,0]=2 839 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl 31744 [0,2,0,0,0,0|0,0,0]=2 840 B11R1.167 O=C(O)C1=CC(O)=CC=C1I 28288 [0,2,0,0,0,0|0,0,0]=2 841 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br 29173 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(Br)=C1 27095 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 27852 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 27644 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 21232 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=N1 25714 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 25552 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 25692 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.74 CC1=CC(C)=CC(B(O)O)=C1 31069 [0,2,0,0,0,0|1,0,1]=4 850 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 21256 [0,2,0,0,0,0|0,0,0]=2 851 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 25553 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 18856 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 28229 [0,2,0,0,0,0|0,0,0]=2 854 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 27695 [0,2,0,0,0,0|0,0,0]=2 855 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 28173 [0,2,0,0,0,0|0,0,0]=2 856 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 28999 [0,2,0,0,0,0|0,0,0]=2 857 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 18890 [0,2,0,0,0,0|0,0,0]=2 858 B11R1.74 OB(O)C1=CC(Br)=CC(Br)=C1 31068 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 18900 [0,2,0,0,0,0|0,0,0]=2 860 B11R1.266 COC1=CC(C(=N)N)=CC=C1 20141 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.266 COC1=CC(C(=O)O)=CC=N1 28871 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.266 COC1=CC=CC(B(O)O)=C1 28125 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.266 COC1=CC=CC(C(C)=O)=C1 30858 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.266 N#CC1=CC(C(=O)Cl)=CC=C1 29943 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 27455 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 05410 [0,2,0,0,0,0|0,0,0]=2 867 B11R1.266 N#CC1=CC=CC([N+](=O)[O-])=C1 24124 [0,2,0,0,0,0|1,0,1]=4 868 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 07165 [0,2,0,0,0,0|0,0,0]=2 869 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 28733 [0,2,0,0,0,0|0,0,0]=2 870 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 28927 [0,2,0,0,0,0|0,0,0]=2 871 B11R1.266 O=CC1=CC=CC(B(O)O)=C1 28123 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.266 OCC1=CC=CC(B(O)O)=C1 16575 [0,2,0,0,0,0|1,0,1]=4 873 B9R1.5 O=C1C=CC=CC=C1O 31100 [0,0,1,1,0,0|2,0,0]=4 874 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 28637 [0,0,0,1,0,1|1,1,0]=4 875 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [0,0,0,1,0,1|2,0,0]=4 876 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 31112 [0,0,0,1,0,1|2,0,0]=4 877 B11R2.10 NC1=NC2=C(C=CC=C2)N1 26960 [0,0,0,1,0,1|2,0,0]=4 878 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [0,0,0,1,0,1|1,0,0]=3 879 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [0,0,0,1,0,1|1,0,0]=3 880 B11R2.10 O=C1NC2=C(C=CC=C2)N1 32064 [0,0,0,1,0,1|1,0,0]=3 881 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [0,0,0,1,0,1|1,0,1]=4 882 B11R2.10 S=C1NC2=C(C=CC=C2)N1 28342 [0,0,0,1,0,1|1,1,0]=4 883 B11R2.10 SC1=NC2=C(C=CC=C2)O1 24502 [0,0,0,1,0,1|0,1,0]=3 884 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [0,1,0,1,0,0|2,0,0]=4 885 B11R2.1 NC1=NNC2=C1C=CC=C2 23261 [0,1,0,1,0,0|2,0,0]=4 886 B11R2.1 NC1COC2=CC=CC=C21 17963 [0,1,0,1,0,0|1,0,1]=4 887 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [0,1,0,1,0,0|1,0,0]=3 888 B11R2.1 O=C1CCC2=C1C=CC=N2 20461 [0,1,0,1,0,0|2,0,0]=4 889 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [0,1,0,1,0,0|1,0,0]=3 890 B11R2.1 O=C1NN=C2C=CC=CN12 32071 [0,1,0,1,0,0|2,0,0]=4 891 B11R2.1 O=C1NSC2=C1C=CC=C2 31729 [0,1,0,1,0,0|0,1,0]=3 892 B11R2.1 ON1N=NC2=C1C=CC=C2 24755 [0,1,0,1,0,0|2,0,0]=4 893 B11R2.1 ON1N=NC2=C1C=CC=C2 29819 [0,1,0,1,0,0|2,0,0]=4 894 B7R1.1 O=CC1=CC=CO1 32011 [1,0,0,0,1,0|1,0,0]=3 895 B7R1.1 O=CC1=CC=CS1 26946 [1,0,0,0,1,0|1,0,0]=3 896 B7R1.1 O=CC1=CN=CO1 19473 [1,0,0,0,1,0|2,0,0]=4 897 B7R1.1 O=CC1=CN=CS1 24726 [1,0,0,0,1,0|2,0,0]=4 898 B7R1.1 O=CC1=CNC=N1 28139 [1,0,0,0,1,0|2,0,0]=4 899 B7R1.1 O=CC1=CNN=C1 17608 [1,0,0,0,1,0|2,0,0]=4 900 B7R1.1 O=CC1=COC=N1 19470 [1,0,0,0,1,0|2,0,0]=4 901 B7R1.1 O=CC1=CON=C1 17796 [1,0,0,0,1,0|2,0,0]=4 902 B7R1.1 O=CC1=CSC=N1 17392 [1,0,0,0,1,0|2,0,0]=4 903 B7R1.1 O=CC1=NC=CN1 29496 [1,0,0,0,1,0|2,0,0]=4 904 B7R1.1 O=CC1=NC=CO1 19466 [1,0,0,0,1,0|2,0,0]=4 905 B7R1.1 O=CC1=NC=CS1 24611 [1,0,0,0,1,0|2,0,0]=4 906 B7R1.1 O=CC1=NNC=C1 17422 [1,0,0,0,1,0|2,0,0]=4 907 B7R1.1 O=CC1=NOC=C1 17795 [1,0,0,0,1,0|2,0,0]=4 908 B7R1.1 O=CN1C=CN=C1 29216 [1,0,0,0,1,0|2,0,0]=4 909 B7R1.1 OCC1=CC=CS1 14033 [1,0,0,0,1,0|1,0,1]=4 910 B7R1.1 OCC1=COC=C1 26943 [1,0,0,0,1,0|1,0,1]=4 911 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,0,0,0,0,2|1,0,0]=3 912 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,0,0,0,0,2|1,0,0]=3 913 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,0,0,0,0,2|1,0,0]=3 914 B11R1.91 O=C(O)C#CC1=CC=CC=C1 22061 [0,0,0,0,0,2|0,0,0]=2 915 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,0,0,0,0,2|0,0,0]=2 916 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,0,0,0,0,2|0,0,0]=2 917 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 01532 [0,0,0,0,0,2|0,0,0]=2 918 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 27055 [0,0,0,0,0,2|1,0,0]=3 919 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 28730 [0,0,0,0,0,2|1,0,0]=3 920 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28144 [0,0,0,0,0,2|1,0,0]=3 921 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,0,0,0,0,2|0,0,1]=3