0 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)NC1=CC=CN=C1 032565 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 CC(=O)NC1=CC=NC=C1 235412 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.18 N=C(O)NC1=CC=CC=C1 364335 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.18 NC(=O)NC1=NC=CC=C1 023876 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [0,0,0,0,0,0|1,1,0]=2 19 B10R1.18 NC(=S)NC1=CC=CC=C1 358215 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.18 NC(=S)NC1=CC=CC=N1 018986 [0,0,0,0,0,0|3,1,0]=4 21 B10R1.18 NC(=S)NC1=CC=CN=C1 018987 [0,0,0,0,0,0|3,1,0]=4 22 B10R1.18 NC(=S)NC1=CC=NC=C1 017258 [0,0,0,0,0,0|3,1,0]=4 23 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.18 O=C(Cl)SC1=CC=CC=C1 015276 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.18 O=C(O)CC1=CC=CN=C1 066081 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.18 O=C(O)CC1=CC=CN=C1 076680 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.18 O=C(O)CC1=CC=NC=C1 001787 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.18 O=C(O)CC1=CN=CN=C1 077681 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 180385 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.18 S=C(Cl)OC1=CC=CC=C1 046963 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.18 S=C(Cl)SC1=CC=CC=C1 239805 [0,0,0,0,0,0|2,1,0]=3 34 B9R1.8 BrCCC1=CC=CC=C1 019261 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 Br\C=C\C1=CC=CC=C1 049835 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 C#CCC1=CC=CC=C1 080054 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.8 C=CCC1=CC=CC=C1 005425 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 C=CC[N+]1=CC=CC=C1 181022 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 C=CSC1=CC=CC=C1 008052 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CC#CC1=CC=CC=C1 166000 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.8 CCCC1=CC=CC=C1 095067 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 CCCC1=CC=NC=C1 235894 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 CCCC1=NC=CC=C1 242850 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 CCNC1=CC=CC=C1 216665 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 CCOC1=CC=CC=C1 098890 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 CCSC1=CC=CC=C1 001759 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 CNCC1=CC=CC=C1 020695 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 CNCC1=CC=NC=C1 046176 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 CSCC1=CC=CC=C1 099640 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 ClCCC1=CC=CC=C1 208883 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 ICCC1=CC=CC=C1 001087 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 N#CCC1=NC=CC=C1 047908 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 N#C[Se]C1=CC=CC=C1 005429 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 NCCC1=CC=CC=C1 046873 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 NCCC1=CC=CN=C1 010689 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 NCCC1=CC=CN=C1 033239 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 NCCC1=CC=CN=C1 065473 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 NCCC1=CC=NC=C1 010690 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 NCCC1=NC=CC=C1 013702 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 NNCC1=CC=CC=C1 036859 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 NOCC1=CC=CC=C1 036957 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 O=C=NC1=CC=CC=C1 165700 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 O=CCC1=CC=CC=C1 098878 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.8 O=CNC1=CC=CC=C1 239406 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 O=CNC1=NC=CC=C1 474802 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 O=S=NC1=CC=CC=C1 341767 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 OCCC1=CC=CC=C1 222397 [1,0,0,0,0,0|0,0,1]=2 73 B9R1.8 OCCC1=CC=CN=C1 017523 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.8 OCCC1=CC=NC=C1 228335 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.8 OCCC1=NC=CC=C1 223718 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.8 ONCC1=CC=CC=C1 091512 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.8 ONCC1=CC=CC=C1 238633 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.8 O\N=C\C1=CN=CC=C1 180049 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 O\N=C\C1=NC=CC=C1 180048 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 O\N=C\C1=NC=CC=C1 227229 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 S=C=NC1=CC=CC=C1 358191 [1,0,0,0,0,0|1,1,1]=4 82 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 022868 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 002534 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 009228 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 154805 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 003844 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 224669 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 005037 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 358280 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 040640 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 047898 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 003918 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.20 CC(=O)SC1=CC=C(Br)C=C1 103481 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 014710 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 001394 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.20 CC1=CC=C(CC(N)=O)C=C1 103194 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 018865 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 018863 [0,1,0,0,0,0|2,1,0]=4 101 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 229794 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.20 NC(=O)CC1=CC=C(Cl)N=C1 387895 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 475850 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.20 NC(=O)CC1=CC=C(I)C=C1 103474 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 018320 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 018451 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 337180 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 036720 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 021352 [0,1,0,0,0,0|1,1,0]=3 110 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 010660 [0,1,0,0,0,0|2,1,0]=4 111 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 018449 [0,1,0,0,0,0|2,1,0]=4 112 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 005417 [0,1,0,0,0,0|2,1,0]=4 113 B11R1.20 NC(=S)NC1=CC=C(I)C=C1 018751 [0,1,0,0,0,0|2,1,0]=4 114 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 018733 [0,1,0,0,0,0|2,1,0]=4 115 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 067962 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 043462 [0,1,0,0,0,0|0,0,0]=1 117 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 014714 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 342030 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 009229 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 240235 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 001227 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 046149 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 040291 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 001294 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 038713 [0,1,0,0,0,0|0,0,0]=1 126 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 003630 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 494205 [0,1,0,0,0,0|0,0,0]=1 128 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 092296 [0,1,0,0,0,0|0,0,1]=2 129 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 242623 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 154800 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 093725 [0,1,0,0,0,0|0,0,0]=1 132 B11R1.36 CC(C)C(O)C1=CC=CC=C1 242324 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 034471 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 093739 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 M03223 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 M03226 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 024966 [0,1,0,0,0,0|0,0,1]=2 140 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 036983 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [0,1,0,0,0,0|0,0,0]=1 144 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 103518 [0,1,0,0,0,0|0,0,1]=2 145 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.40 C=CC(=O)OC1=CC=CC=C1 461814 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [0,1,0,0,0,0|2,1,0]=4 152 B11R1.40 COC(=O)CC1=NC=CC=C1 092468 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 531267 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.40 NNC(=O)NC1=CC=CC=C1 358181 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.40 NNC(=S)NC1=CC=CC=C1 011215 [0,1,0,0,0,0|2,1,0]=4 156 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.40 N\C(CC1=NC=CC=C1)=N/O 098169 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.40 O=C(CBr)NC1=CC=CC=C1 080331 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.40 O=C(CBr)OC1=CC=CC=C1 235583 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.40 O=C(CCl)NC1=CC=CC=C1 307343 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 321306 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 006173 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.86 CC(=O)NC1=CC=CC=C1O 242846 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 001393 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 357821 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.86 CC1=CC=CC=C1CC(=O)Cl 014708 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.86 CC1=CC=CC=C1NC(N)=S 018861 [0,1,0,0,0,0|2,1,0]=4 172 B11R1.86 CN(C)CC1=C(O)C=CC=C1 103436 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 357832 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.86 NC(=O)CC1=C(F)C=CC=C1 357591 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.86 NC(=O)CC1=CC=CC=C1Br 323620 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 018450 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.86 NC(=O)NC1=CC=CC=C1Br 233581 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.86 NC(=O)NC1=CC=CC=C1F 340791 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 018447 [0,1,0,0,0,0|2,1,0]=4 180 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 009242 [0,1,0,0,0,0|2,1,0]=4 181 B11R1.86 O=C(Cl)CC1=C(Br)C=CC=C1 038304 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.86 O=C(Cl)CC1=CC=CC=C1Cl 246436 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.86 O=C(Cl)CC1=CC=CC=C1F 038271 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 001133 [0,1,0,0,0,0|0,0,0]=1 185 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 046145 [0,1,0,0,0,0|0,0,0]=1 186 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 001292 [0,1,0,0,0,0|0,0,0]=1 187 B11R1.86 O=C(O)CC1=CC=CC=C1I 079511 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.86 O=C(O)CC1=CC=CC=C1O 044950 [0,1,0,0,0,0|0,0,0]=1 189 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 306942 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 037377 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 094704 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.157 CC(=O)NC1=CC(C)=CC=N1 032647 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 006174 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 118101 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 079660 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 003917 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 224315 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.157 CC1=CC(CC(=O)Cl)=CC=C1 014709 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.157 CC1=CC(NC(N)=O)=CC=C1 018864 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.157 CC1=CC(NC(N)=S)=CC=C1 018862 [0,1,0,0,0,0|2,1,0]=4 201 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 001325 [0,1,0,0,0,0|0,0,0]=1 202 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 325398 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 047554 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.157 NC(=O)NC1=CC(Br)=CC=C1 068039 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.157 NC(=S)NC1=CC(Cl)=CC=C1 018448 [0,1,0,0,0,0|2,1,0]=4 206 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 006348 [0,1,0,0,0,0|2,1,0]=4 207 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 018318 [0,1,0,0,0,0|2,1,0]=4 208 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 043387 [0,1,0,0,0,0|0,0,0]=1 209 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 402704 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 402742 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 038272 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 001134 [0,1,0,0,0,0|0,0,0]=1 213 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 046146 [0,1,0,0,0,0|0,0,0]=1 214 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 001293 [0,1,0,0,0,0|0,0,0]=1 215 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 079029 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.509 CC(C)(C)CC1=CC=CC=C1 242566 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.509 CC(C)(O)CC1=CC=CC=C1 461052 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 003687 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 092068 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 005321 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 019289 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094171 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094988 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097679 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097803 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 235646 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 S00950 [0,1,0,0,0,0|2,1,0]=4 228 B11R1.509 FC(F)(F)CC1=CC=CC=C1 094976 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 235521 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 095121 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 003668 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 002462 [0,1,0,0,0,0|1,0,1]=3 233 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 390375 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 078866 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 046526 [0,0,0,1,0,0|1,0,1]=3 236 B11R2.10 BrC1=CC2=CC=CC=C2S1 221706 [0,0,0,1,0,0|1,1,1]=4 237 B11R2.10 CC1=CC2=C(C=CC=C2)C1 222644 [0,0,0,1,0,0|2,0,0]=3 238 B11R2.10 CC1=CC2=C(C=CC=C2)S1 013664 [0,0,0,1,0,0|1,1,1]=4 239 B11R2.10 CC1=CC2=CC=CC=C2N1 003402 [0,0,0,1,0,0|2,0,1]=4 240 B11R2.10 CC1=NC2=CC=CC=C2N1 002989 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.10 CC1=NC2=CC=CC=C2S1 222061 [0,0,0,1,0,0|2,1,0]=4 242 B11R2.10 CC1CC2=C(C=CC=C2)N1 221619 [0,0,0,1,0,0|2,0,1]=4 243 B11R2.10 ClC1=NC2=CC=CC=C2N1 010656 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.10 ClC1=NC2=CC=CC=C2O1 078922 [0,0,0,1,0,0|2,0,0]=3 245 B11R2.10 ClC1=NC2=CC=CC=C2S1 013472 [0,0,0,1,0,0|2,1,0]=4 246 B11R2.10 NC1=NC2=C(C=CC=C2)O1 043838 [0,0,0,1,0,0|2,0,0]=3 247 B11R2.10 NC1=NC2=CC=CC=C2N1 064965 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.10 NC1=NC2=CC=CC=C2S1 078504 [0,0,0,1,0,0|2,1,0]=4 249 B11R2.10 NC1CC2=C(C=CC=C2)C1 046718 [0,0,0,1,0,0|2,0,1]=4 250 B11R2.10 NC1CC2=C(C=CC=C2)C1 048090 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.10 O=C1CC2=C(C=CC=C2)C1 045209 [0,0,0,1,0,0|1,0,0]=2 252 B11R2.10 O=C1CC2=C(C=CC=C2)N1 093498 [0,0,0,1,0,0|1,0,0]=2 253 B11R2.10 O=C1CC2=CC=CC=C2O1 208814 [0,0,0,1,0,0|0,0,0]=1 254 B11R2.10 O=C1CC2=CC=CN=C2N1 079352 [0,0,0,1,0,0|2,0,0]=3 255 B11R2.10 O=C1CN2C=CC=CC2=N1 180933 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.10 O=C1NC2=CC=CC=C2O1 077983 [0,0,0,1,0,0|1,0,0]=2 257 B11R2.10 O=C1NC2=CC=CC=C2S1 009676 [0,0,0,1,0,0|1,1,0]=3 258 B11R2.10 OC1=NC2=CC=CC=C2N1 002990 [0,0,0,1,0,0|2,0,0]=3 259 B11R2.10 OC1CC2=C(C=CC=C2)C1 216695 [0,0,0,1,0,0|1,0,1]=3 260 B11R2.10 S=C1NC2=CC=CC=C2S1 362022 [0,0,0,1,0,0|1,2,0]=4 261 B11R2.10 SC1=NC2=C(C=CC=C2)O1 040166 [0,0,0,1,0,0|1,1,0]=3 262 B11R2.10 SC1=NC2=C(C=CC=C2)S1 024775 [0,0,0,1,0,0|1,2,0]=4 263 B11R2.10 SC1=NC2=CC=CC=C2N1 068818 [0,0,0,1,0,0|2,1,0]=4 264 B9R1.6 BrC(Br)C1=CC=CC=C1 243023 [0,0,0,0,1,0|2,0,1]=4 265 B9R1.6 C=C(C)C1=CC=CC=C1 245708 [0,0,0,0,1,0|2,0,0]=3 266 B9R1.6 CC(=O)C1=CC=CC=C1 043319 [0,0,0,0,1,0|1,0,0]=2 267 B9R1.6 CC(=O)C1=CC=CN=C1 032763 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.6 CC(=O)C1=CC=NC=C1 033067 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.6 CC(=O)C1=NC=CC=C1 044389 [0,0,0,0,1,0|2,0,0]=3 270 B9R1.6 CC(=O)C1=NC=CN=C1 002741 [0,0,0,0,1,0|3,0,0]=4 271 B9R1.6 CC(Br)C1=CC=CC=C1 001003 [0,0,0,0,1,0|2,0,1]=4 272 B9R1.6 CC(C)C1=CC=CC=C1 094649 [0,0,0,0,1,0|2,0,1]=4 273 B9R1.6 CC(N)C1=CC=CC=C1 208695 [0,0,0,0,1,0|2,0,1]=4 274 B9R1.6 CC(O)C1=CC=CC=C1 098924 [0,0,0,0,1,0|1,0,1]=3 275 B9R1.6 CC(O)C1=CC=CN=C1 094012 [0,0,0,0,1,0|2,0,1]=4 276 B9R1.6 CC(O)C1=NC=CC=C1 088389 [0,0,0,0,1,0|2,0,1]=4 277 B9R1.6 CN(C)C1=CC=CC=C1 098810 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.6 CS(=O)C1=CC=CC=C1 180124 [0,0,0,0,1,0|2,0,0]=3 279 B9R1.6 C[C@@H](N)C1=CC=CC=C1 037431 [0,0,0,0,1,0|2,0,1]=4 280 B9R1.6 C[C@@H](O)C1=CC=CC=C1 222634 [0,0,0,0,1,0|1,0,1]=3 281 B9R1.6 C[C@H](N)C1=CC=CC=C1 037432 [0,0,0,0,1,0|2,0,1]=4 282 B9R1.6 C[SiH](C)C1=CC=CC=C1 S13425 [0,0,0,0,1,0|2,1,0]=4 283 B9R1.6 C[SiH](Cl)C1=CC=CC=C1 S13525 [0,0,0,0,1,0|2,1,0]=4 284 B9R1.6 ClP(Cl)C1=CC=CC=C1 223201 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.6 Cl[SiH](Cl)C1=CC=CC=C1 S13350 [0,0,0,0,1,0|2,1,0]=4 286 B9R1.6 FC(F)C1=CC=CC=C1 035819 [0,0,0,0,1,0|2,0,1]=4 287 B9R1.6 N=C(N)C1=CC=CC=C1 044622 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.6 N=C(N)C1=CC=CC=C1 067951 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.6 N=C(N)C1=CC=CC=C1 099104 [0,0,0,0,1,0|2,0,0]=3 290 B9R1.6 N=C(N)C1=CC=CC=C1 102340 [0,0,0,0,1,0|2,0,0]=3 291 B9R1.6 N=C(N)C1=CC=CC=N1 044914 [0,0,0,0,1,0|3,0,0]=4 292 B9R1.6 N=C(N)C1=CC=CN=C1 068345 [0,0,0,0,1,0|3,0,0]=4 293 B9R1.6 N=C(N)C1=CC=NC=C1 209227 [0,0,0,0,1,0|3,0,0]=4 294 B9R1.6 NC(=O)C1=CC=CC=C1 099462 [0,0,0,0,1,0|1,0,0]=2 295 B9R1.6 NC(=O)C1=CC=NC=C1 079012 [0,0,0,0,1,0|2,0,0]=3 296 B9R1.6 NC(=O)C1=CN=CC=C1 239905 [0,0,0,0,1,0|2,0,0]=3 297 B9R1.6 NC(=O)C1=NC=CC=C1 235663 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.6 NC(=O)C1=NC=CN=C1 068696 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.6 NC(=S)C1=CC=CC=C1 067940 [0,0,0,0,1,0|1,1,0]=3 300 B9R1.6 NC(=S)C1=CC=CN=C1 021345 [0,0,0,0,1,0|2,1,0]=4 301 B9R1.6 NC(=S)C1=CC=NC=C1 021346 [0,0,0,0,1,0|2,1,0]=4 302 B9R1.6 NC(=S)C1=NC=CC=C1 021344 [0,0,0,0,1,0|2,1,0]=4 303 B9R1.6 O=C(Cl)C1=CC=CC=C1 097787 [0,0,0,0,1,0|1,0,0]=2 304 B9R1.6 O=C(Cl)C1=CC=CC=C1 102565 [0,0,0,0,1,0|1,0,0]=2 305 B9R1.6 O=C(Cl)C1=CC=CN=C1 053251 [0,0,0,0,1,0|2,0,0]=3 306 B9R1.6 O=C(Cl)C1=CC=NC=C1 066672 [0,0,0,0,1,0|2,0,0]=3 307 B9R1.6 O=C(Cl)C1=NC=CC=C1 166500 [0,0,0,0,1,0|2,0,0]=3 308 B9R1.6 O=C(O)C1=CC=CC=C1 102544 [0,0,0,0,1,0|0,0,0]=1 309 B9R1.6 O=C(O)C1=CC=CC=C1 237766 [0,0,0,0,1,0|0,0,0]=1 310 B9R1.6 O=C(O)C1=CC=CN=C1 106451 [0,0,0,0,1,0|1,0,0]=2 311 B9R1.6 O=C(O)C1=CC=NC=C1 045226 [0,0,0,0,1,0|1,0,0]=2 312 B9R1.6 O=C(O)C1=CC=NN=C1 023601 [0,0,0,0,1,0|2,0,0]=3 313 B9R1.6 O=C(O)C1=CN=CC=C1 214893 [0,0,0,0,1,0|1,0,0]=2 314 B9R1.6 O=C(O)C1=CN=CN=C1 023569 [0,0,0,0,1,0|2,0,0]=3 315 B9R1.6 O=C(O)C1=NC=CC=C1 043385 [0,0,0,0,1,0|1,0,0]=2 316 B9R1.6 O=C(O)C1=NC=CC=N1 043596 [0,0,0,0,1,0|2,0,0]=3 317 B9R1.6 O=C(O)C1=NC=CN=C1 066244 [0,0,0,0,1,0|2,0,0]=3 318 B9R1.6 O=C(O)C1=NC=NC=C1 066253 [0,0,0,0,1,0|2,0,0]=3 319 B9R1.6 O=C(O)C1=NN=CC=C1 047653 [0,0,0,0,1,0|2,0,0]=3 320 B9R1.6 O=C([O-])C1=CC=CC=C1 094455 [0,0,0,0,1,0|0,0,1]=2 321 B9R1.6 O=C([O-])C1=CC=CC=C1 095369 [0,0,0,0,1,0|0,0,1]=2 322 B9R1.6 O=C([O-])C1=CC=CC=C1 099144 [0,0,0,0,1,0|0,0,1]=2 323 B9R1.6 O=C([O-])C1=CC=CC=C1 239403 [0,0,0,0,1,0|0,0,1]=2 324 B9R1.6 O=C([O-])C1=CN=CC=C1 245943 [0,0,0,0,1,0|1,0,1]=3 325 B9R1.6 O=S([O-])C1=CC=CC=C1 003814 [0,0,0,0,1,0|1,0,1]=3 326 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 094600 [0,0,0,0,1,0|1,0,1]=3 327 B9R1.6 O=[PH](O)C1=CC=CC=C1 003643 [0,0,0,0,1,0|1,0,0]=2 328 B9R1.6 O=[Se](O)C1=CC=CC=C1 005551 [0,0,0,0,1,0|1,0,0]=2 329 B9R1.6 OB(O)C1=CC=CC=C1 019491 [0,0,0,0,1,0|1,0,1]=3 330 B9R1.6 OB(O)C1=CC=CN=C1 010819 [0,0,0,0,1,0|2,0,1]=4 331 B9R1.6 OB(O)C1=CC=NC=C1 010820 [0,0,0,0,1,0|2,0,1]=4 332 B9R1.6 OB(O)C1=CC=NC=C1 017173 [0,0,0,0,1,0|2,0,1]=4 333 B9R1.13 CC(=O)NC1=CC=CS1 093044 [0,0,0,0,1,0|3,0,0]=4 334 B9R1.13 O=C(Cl)CC1=CC=CS1 003050 [0,0,0,0,1,0|2,0,0]=3 335 B9R1.13 O=C(O)CC1=CC=CS1 044684 [0,0,0,0,1,0|1,0,0]=2 336 B9R1.13 O=C(O)CC1=CSC=C1 079138 [0,0,0,0,1,0|1,0,0]=2 337 B9R1.13 O=C(O)CN1C=CC=C1 310772 [0,0,0,0,1,0|1,0,0]=2 338 B9R1.13 O=C(O)CN1C=CN=C1 021292 [0,0,0,0,1,0|2,0,0]=3 339 B9R1.13 O=C(O)CN1C=NC=N1 058860 [0,0,0,0,1,0|3,0,0]=4 340 B9R1.13 O=C(O)CN1C=NC=N1 180292 [0,0,0,0,1,0|3,0,0]=4 341 B9R1.13 O=C([O-])CC1=CNC=N1 104396 [0,0,0,0,1,0|2,0,1]=4 342 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [0,0,0,0,0,1|2,0,0]=3 343 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [0,0,0,0,0,1|1,0,0]=2 344 B11R1.91 CC(=O)NCC1=CC=NC=C1 032566 [0,0,0,0,0,1|2,0,0]=3 345 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [0,0,0,0,0,1|1,0,1]=3 346 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [0,0,0,0,0,1|1,0,1]=3 347 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [0,0,0,0,0,1|2,0,1]=4 348 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [0,0,0,0,0,1|2,0,1]=4 349 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [0,0,0,0,0,1|1,0,1]=3 350 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [0,0,0,0,0,1|1,0,1]=3 351 B11R1.91 N=C(N)COC1=CC=CC=C1 017231 [0,0,0,0,0,1|2,0,0]=3 352 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [0,0,0,0,0,1|2,0,0]=3 353 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [0,0,0,0,0,1|1,0,0]=2 354 B11R1.91 NC(=O)COC1=CC=CC=C1 001028 [0,0,0,0,0,1|1,0,0]=2 355 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [0,0,0,0,0,1|1,0,0]=2 356 B11R1.91 NC(=O)NCC1=CN=CC=C1 352454 [0,0,0,0,0,1|2,0,0]=3 357 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [0,0,0,0,0,1|1,0,0]=2 358 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [0,0,0,0,0,1|1,0,1]=3 359 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [0,0,0,0,0,1|1,1,0]=3 360 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [0,0,0,0,0,1|2,0,0]=3 361 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [0,0,0,0,0,1|1,0,0]=2 362 B11R1.91 O=C(Cl)COC1=CC=CC=C1 099217 [0,0,0,0,0,1|1,0,0]=2 363 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 106076 [0,0,0,0,0,1|1,0,0]=2 364 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M02865 [0,0,0,0,0,1|1,0,0]=2 365 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [0,0,0,0,0,1|1,0,1]=3 366 B11R1.91 O=C(O)C#CC1=CC=CC=C1 046965 [0,0,0,0,0,1|0,0,1]=2 367 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [0,0,0,0,0,1|0,0,0]=1 368 B11R1.91 O=C(O)CCC1=CC=CC=N1 075030 [0,0,0,0,0,1|1,0,0]=2 369 B11R1.91 O=C(O)CCC1=CC=CN=C1 065995 [0,0,0,0,0,1|1,0,0]=2 370 B11R1.91 O=C(O)CCC1=CC=NC=C1 027685 [0,0,0,0,0,1|1,0,0]=2 371 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [0,0,0,0,0,1|0,0,0]=1 372 B11R1.91 O=C(O)COC1=CC=CC=C1 222559 [0,0,0,0,0,1|0,0,0]=1 373 B11R1.91 O=C(O)CSC1=CC=CC=C1 001321 [0,0,0,0,0,1|0,0,0]=1 374 B11R1.91 O=C(O)CSC1=CC=NC=C1 358269 [0,0,0,0,0,1|1,0,0]=2 375 B11R1.91 O=C(O)CSC1=NC=CC=N1 013703 [0,0,0,0,0,1|2,0,0]=3 376 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [0,0,0,0,0,1|0,0,1]=2 377 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [0,0,0,0,0,1|1,0,1]=3 378 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [0,0,0,0,0,1|1,0,1]=3 379 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 009847 [0,0,0,0,0,1|1,0,1]=3 380 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [0,0,0,0,0,1|0,0,1]=2 381 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 239114 [0,0,0,0,0,1|1,0,2]=4 382 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 303994 [0,0,0,0,0,1|1,0,2]=4 383 B8R1.2 BrCC1=CC=CC=C1 003666 [2,0,0,0,0,0|1,0,0]=3 384 B8R1.2 BrCC1=CC=CN=C1 214585 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.2 BrCC1=CC=NC=C1 067829 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 BrCC1=NC=CC=C1 067831 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.2 C#CC1=CC=CC=C1 003009 [2,0,0,0,0,0|0,0,2]=4 390 B8R1.2 C=CC1=CC=CC=C1 520455 [2,0,0,0,0,0|0,0,1]=3 391 B8R1.2 CCC1=CC=CC=C1 094632 [2,0,0,0,0,0|0,0,1]=3 392 B8R1.2 CCC1=CC=CC=N1 098941 [2,0,0,0,0,0|1,0,1]=4 393 B8R1.2 CCC1=CC=CN=C1 242838 [2,0,0,0,0,0|1,0,1]=4 394 B8R1.2 CCC1=CC=NC=C1 319885 [2,0,0,0,0,0|1,0,1]=4 395 B8R1.2 CC[N+]1=CC=CC=C1 046807 [2,0,0,0,0,0|1,0,1]=4 396 B8R1.2 CNC1=CC=CC=C1 094625 [2,0,0,0,0,0|1,0,1]=4 397 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|1,0,1]=4 398 B8R1.2 CSC1=CC=CC=C1 002945 [2,0,0,0,0,0|1,0,1]=4 399 B8R1.2 ClCC1=CC=CC=C1 106800 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.2 ClCC1=CC=CC=N1 026180 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.2 ClCC1=CC=CN=C1 043884 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.2 ClCC1=CC=NC=C1 050512 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.2 N#CC1=CC=CC=C1 035786 [2,0,0,0,0,0|1,0,1]=4 406 B8R1.2 N#CC1=CC=CC=C1 102548 [2,0,0,0,0,0|1,0,1]=4 407 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|1,0,0]=3 408 B8R1.2 NCC1=CC=CC=C1 241882 [2,0,0,0,0,0|1,0,0]=3 409 B8R1.2 NCC1=CC=CN=C1 078185 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.2 NCC1=CC=NC=C1 065475 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.2 NCC1=NC=CC=C1 009750 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.2 NNC1=CC=CC=C1 079470 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 NNC1=CC=CC=C1 098902 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.2 O=CC1=CC=CN=C1 065202 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.2 O=CC1=CC=NC=C1 091501 [2,0,0,0,0,0|1,0,0]=3 416 B8R1.2 O=CC1=CN=CN=C1 023582 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 O=CC1=NC=CC=C1 065201 [2,0,0,0,0,0|1,0,0]=3 418 B8R1.2 O=NC1=CC=CC=C1 106182 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.2 OCC1=CC=CC=C1 094986 [2,0,0,0,0,0|0,0,0]=2 420 B8R1.2 OCC1=CC=CC=C1 105725 [2,0,0,0,0,0|0,0,0]=2 421 B8R1.2 OCC1=CC=CN=C1 208628 [2,0,0,0,0,0|1,0,0]=3 422 B8R1.2 OCC1=CC=CN=N1 045003 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 OCC1=CC=NC=C1 078602 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.2 OCC1=NC=CC=C1 043374 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.2 OCC1=NC=CC=N1 067743 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 SCC1=CC=CC=C1 098994 [2,0,0,0,0,0|0,1,0]=3 427 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [2,0,0,0,0,0|1,0,1]=4 428 B8R1.2 [O-]CC1=CC=CC=C1 105697 [2,0,0,0,0,0|0,0,1]=3 429 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [1,1,0,0,0,0|0,0,1]=3 432 B10R1.1 CC1=CC=C(N=C=O)C=C1 099850 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.1 CC1=CC=C(NC=O)C=C1 180098 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.1 CC1=CC=C(\C=N\O)C=C1 300271 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.1 N#CCC1=CC=C(Br)C=C1 BR1112 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.1 N#CCC1=CC=C(Cl)C=C1 079011 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.1 N#CCC1=CC=C(F)C=C1 001189 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.1 N#CCC1=CC=C(I)C=C1 149501 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [1,1,0,0,0,0|0,0,1]=3 450 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.1 O=C=NC1=CC=C(Br)C=C1 046917 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 403156 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.1 O=C=NC1=CC=C(F)C=C1 002336 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.1 O=C=NC1=CC=C(I)C=C1 149800 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [1,1,0,0,0,0|0,0,1]=3 463 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [1,1,0,0,0,0|0,0,1]=3 464 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [1,1,0,0,0,0|0,0,1]=3 465 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [1,1,0,0,0,0|0,0,1]=3 466 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [1,1,0,0,0,0|0,0,1]=3 467 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 217622 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.1 O\N=C\C1=CC=C(F)C=C1 011169 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 [NH3+]OCC1=CC=C(F)C=C1 010009 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.4 CC1=C(N=C=O)C=CC=C1 403155 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.4 CC1=CC=CC=C1CCO 243106 [1,1,0,0,0,0|0,0,1]=3 475 B10R1.4 CC1=CC=CC=C1NC=O 180097 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.4 CC1=CC=CN=C1CCO 032581 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.4 CNCC1=CC=CC=C1F 077128 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.4 COCC1=CC=CC=C1Br 233857 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.4 N#CCC1=C(Br)C=CC=C1 001135 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.4 N#CCC1=C(F)C=CC=C1 001187 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.4 N#CCC1=CC=CC=C1Cl 225964 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.4 N#CCC1=CC=CC=C1N 208802 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.4 NCCC1=CC=CC=C1Br 067221 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.4 NNCC1=C(F)C=CC=C1 070628 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.4 O=C=NC1=C(Br)C=CC=C1 046915 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 046923 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.4 O=C=NC1=C(F)C=CC=C1 002334 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.4 O=C=NC1=CC=CC=C1I 013613 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.4 O=CNC1=C(Br)C=CC=C1 530777 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [1,1,0,0,0,0|0,0,1]=3 493 B10R1.4 OCCC1=CC=CC=C1Br 210426 [1,1,0,0,0,0|0,0,1]=3 494 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [1,1,0,0,0,0|0,0,1]=3 495 B10R1.4 OCCC1=CC=CC=C1O 215704 [1,1,0,0,0,0|0,0,1]=3 496 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.10 CC1=CC(CC#N)=CC=C1 092558 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [1,1,0,0,0,0|0,0,1]=3 500 B10R1.10 CC1=CC=CC(N=C=O)=C1 046957 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.10 CNCC1=CC=CC(F)=C1 077129 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.10 ClC1=CC=CC(CCBr)=C1 020894 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.10 N#CCC1=CC(Br)=CC=C1 001136 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.10 N#CCC1=CC(F)=CC=C1 001188 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.10 N#CCC1=CC=CC(Cl)=C1 078843 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.10 O=C=NC1=CC(Br)=CC=C1 046916 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 094703 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.10 O=C=NC1=CC(F)=CC=C1 002335 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.10 O=C=NC1=CC(I)=CC=C1 104022 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [1,1,0,0,0,0|0,0,1]=3 518 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [1,1,0,0,0,0|0,0,1]=3 519 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [1,1,0,0,0,0|0,0,1]=3 520 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [1,1,0,0,0,0|0,0,1]=3 521 B10R1.10 [NH3+]OCC1=CC(F)=CC=C1 010010 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.15 CC(C#N)C1=CC=CC=C1 001059 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.15 CN(C=O)C1=CC=CC=C1 208822 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.15 N#CC(O)C1=CC=CC=C1 403371 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 324116 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [1,1,0,0,0,0|0,0,1]=3 536 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [1,1,0,0,0,0|0,0,1]=3 540 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [1,1,0,0,0,0|0,0,1]=3 541 B10R1.15 N\C(=N/O)C1=CC=CC=C1 067963 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.15 N\C(=N/O)C1=CC=CC=C1 097873 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.15 N\C(=N\O)C1=CC=CC=C1 106200 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.15 O=C(CO)C1=CC=CC=C1 219236 [1,1,0,0,0,0|0,0,2]=4 545 B10R1.15 O=C(NO)C1=CC=CC=C1 317419 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.15 O=CC(=O)C1=CC=CC=C1 454875 [1,1,0,0,0,0|0,0,1]=3 547 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.17 BrCCCC1=CC=CC=C1 113800 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.17 BrCCOC1=CC=CC=C1 210427 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.17 BrCCSC1=CC=CC=C1 003535 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.17 C#CCCC1=CC=CC=C1 062967 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [1,1,0,0,0,0|0,0,0]=2 553 B10R1.17 C=CCCC1=CC=CC=C1 342184 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.17 C=CCOC1=CC=CC=C1 242682 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.17 C=CCSC1=CC=CC=C1 003665 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.17 CCCCC1=CC=CC=C1 240933 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.17 CCCNC1=CC=CC=C1 324115 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.17 CCCSC1=CC=CC=C1 094618 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.17 CCNCC1=CC=CC=C1 239060 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.17 CCOCC1=CC=CC=C1 240434 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.17 CCSCC1=CC=CC=C1 094637 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.17 CNCCC1=CC=CC=C1 046956 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.17 ClCCCC1=CC=CC=C1 320132 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.17 ClCCSC1=CC=CC=C1 003536 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.17 ClCOCC1=CC=CC=C1 106900 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.17 ICCOC1=CC=CC=C1 313818 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.17 N#CCCC1=CC=CC=C1 337065 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.17 N#CCOC1=CC=CC=C1 239898 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.17 N#CCSC1=CC=CC=C1 003773 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.17 NCCCC1=CC=CC=C1 008890 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.17 NCCNC1=CC=CC=C1 320056 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.17 NCCOC1=CC=CC=C1 078737 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [1,1,0,0,0,0|0,0,1]=3 574 B10R1.17 O=CCCC1=CC=CC=C1 237467 [1,1,0,0,0,0|0,0,0]=2 575 B10R1.17 O=CNCC1=CC=CN=C1 032579 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.17 O=COCC1=CC=CC=C1 240742 [1,1,0,0,0,0|0,0,0]=2 577 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [1,1,0,0,0,0|0,0,1]=3 578 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [1,1,0,0,0,0|0,0,1]=3 579 B10R1.17 OCC#CC1=CC=CC=C1 166200 [1,1,0,0,0,0|0,0,2]=4 580 B10R1.17 OCCCC1=CC=CC=C1 241187 [1,1,0,0,0,0|0,0,1]=3 581 B10R1.17 OCCCC1=CC=CN=C1 032639 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.17 OCCCC1=CC=NC=C1 093367 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.17 OCCCC1=NC=CC=C1 234266 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.17 OCCNC1=CC=CC=C1 240954 [1,1,0,0,0,0|0,0,1]=3 585 B10R1.17 OCCNC1=CC=NC=C1 034928 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.17 OCCNC1=NC=CC=C1 034929 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.17 OCCNC1=NC=CC=C1 061534 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.17 OCCOC1=CC=CC=C1 005091 [1,1,0,0,0,0|0,0,1]=3 589 B10R1.17 OCCSC1=CC=CC=C1 003534 [1,1,0,0,0,0|0,0,1]=3 590 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [1,1,0,0,0,0|0,0,1]=3 591 B10R1.17 S=C=NCC1=CC=CC=C1 002504 [1,1,0,0,0,0|0,1,1]=4 592 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 342017 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.13 C=C(C)C1=CC=C(F)C=C1 002236 [0,1,0,0,1,0|2,0,0]=4 594 B10R1.13 C=C(C)C1=CC=C(O)C=C1 242991 [0,1,0,0,1,0|2,0,0]=4 595 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 002964 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 068433 [0,1,0,0,1,0|2,0,0]=4 597 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [0,1,0,0,1,0|1,0,0]=3 598 B10R1.13 CC(=O)C1=CC=C(C)N=C1 024495 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 003111 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 046158 [0,1,0,0,1,0|2,0,0]=4 601 B10R1.13 CC(=O)C1=CC=C(F)C=C1 001621 [0,1,0,0,1,0|1,0,0]=3 602 B10R1.13 CC(=O)C1=CC=C(I)C=C1 003065 [0,1,0,0,1,0|1,0,0]=3 603 B10R1.13 CC(=O)C1=CC=C(I)C=C1 147401 [0,1,0,0,1,0|1,0,0]=3 604 B10R1.13 CC(=O)C1=CC=C(N)C=C1 009865 [0,1,0,0,1,0|1,0,0]=3 605 B10R1.13 CC(=O)C1=CC=C(O)C=C1 097596 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.13 CC(=O)C1=NC=C(O)C=C1 242217 [0,1,0,0,1,0|2,0,0]=4 607 B10R1.13 CC(O)C1=CC=C(Br)C=C1 001129 [0,1,0,0,1,0|1,0,1]=4 608 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 002971 [0,1,0,0,1,0|1,0,1]=4 609 B10R1.13 CC(O)C1=CC=C(F)C=C1 001295 [0,1,0,0,1,0|1,0,1]=4 610 B10R1.13 CC1=CC=C(B(O)O)C=C1 010854 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.13 CC1=CC=C(C(=N)N)C=C1 017242 [0,1,0,0,1,0|2,0,0]=4 612 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 099143 [0,1,0,0,1,0|1,0,0]=3 613 B10R1.13 CC1=CC=C(C(=O)O)C=C1 094627 [0,1,0,0,1,0|0,0,0]=2 614 B10R1.13 CC1=CC=C(C(=O)O)C=N1 043432 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [0,1,0,0,1,0|1,0,1]=4 616 B10R1.13 CC1=CC=C(C(N)=O)C=C1 032746 [0,1,0,0,1,0|1,0,0]=3 617 B10R1.13 CC1=CC=C(C(N)=S)C=C1 021339 [0,1,0,0,1,0|1,1,0]=4 618 B10R1.13 CC1=CC=C(S(=O)O)C=C1 080223 [0,1,0,0,1,0|1,0,0]=3 619 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 227797 [0,1,0,0,1,0|1,0,1]=4 620 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 241128 [0,1,0,0,1,0|1,0,1]=4 621 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 050080 [0,1,0,0,1,0|2,0,0]=4 622 B10R1.13 CC1=CN=C(C(=O)O)C=N1 019499 [0,1,0,0,1,0|2,0,0]=4 623 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 049070 [0,1,0,0,1,0|2,0,0]=4 624 B10R1.13 N=C(N)C1=CC=C(F)C=C1 061506 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.13 N=C(N)C1=CC=C(N)C=C1 092316 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.13 N=C(N)C1=CC=C(O)C=C1 023564 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 044652 [0,1,0,0,1,0|1,0,0]=3 628 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 240110 [0,1,0,0,1,0|1,0,0]=3 629 B10R1.13 NC(=O)C1=CC=C(F)C=C1 006181 [0,1,0,0,1,0|1,0,0]=3 630 B10R1.13 NC(=O)C1=CC=C(I)C=C1 235780 [0,1,0,0,1,0|1,0,0]=3 631 B10R1.13 NC(=O)C1=CC=C(N)C=C1 018168 [0,1,0,0,1,0|1,0,0]=3 632 B10R1.13 NC(=O)C1=CC=C(N)N=C1 064856 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.13 NC(=O)C1=CC=C(O)C=C1 002826 [0,1,0,0,1,0|1,0,0]=3 634 B10R1.13 NC(=O)C1=CC=[N+]([O-])C=C1 180115 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 021311 [0,1,0,0,1,0|1,1,0]=4 636 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 021318 [0,1,0,0,1,0|1,1,0]=4 637 B10R1.13 NC(=S)C1=CC=C(F)C=C1 021324 [0,1,0,0,1,0|1,1,0]=4 638 B10R1.13 NC(=S)C1=CC=C(N)C=C1 021309 [0,1,0,0,1,0|1,1,0]=4 639 B10R1.13 NC(=S)C1=CC=C(O)C=C1 021328 [0,1,0,0,1,0|1,1,0]=4 640 B10R1.13 NC(=S)C1=CC=C(O)C=C1 097900 [0,1,0,0,1,0|1,1,0]=4 641 B10R1.13 NC1=CC=C(B(O)O)C=C1 046297 [0,1,0,0,1,0|1,0,1]=4 642 B10R1.13 NC1=CC=C(C(=O)O)C=C1 046699 [0,1,0,0,1,0|0,0,0]=2 643 B10R1.13 NC1=CC=C(C(=O)O)C=N1 010692 [0,1,0,0,1,0|1,0,0]=3 644 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 094623 [0,1,0,0,1,0|1,0,1]=4 645 B10R1.13 NC1=CN=C(C(=O)O)C=C1 048138 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.13 NC1=NC=C(C(=O)O)N=C1 076096 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.13 NC1=NC=C(C(=O)O)N=C1 104630 [0,1,0,0,1,0|2,0,0]=4 648 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 013058 [0,1,0,0,1,0|1,0,0]=3 649 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 094475 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 066669 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 001636 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 467163 [0,1,0,0,1,0|1,0,0]=3 653 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 109801 [0,1,0,0,1,0|0,0,0]=2 654 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 023530 [0,1,0,0,1,0|1,0,0]=3 655 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 079616 [0,1,0,0,1,0|0,0,0]=2 656 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 003433 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 066261 [0,1,0,0,1,0|2,0,0]=4 658 B10R1.13 O=C(O)C1=CC=C(F)C=C1 001711 [0,1,0,0,1,0|0,0,0]=2 659 B10R1.13 O=C(O)C1=CC=C(I)C=C1 005464 [0,1,0,0,1,0|0,0,0]=2 660 B10R1.13 O=C(O)C1=CC=C(O)C=C1 094430 [0,1,0,0,1,0|0,0,0]=2 661 B10R1.13 O=C(O)C1=CC=C(O)N=C1 009265 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.13 O=C(O)C1=CC=C(S)C=C1 013962 [0,1,0,0,1,0|0,0,0]=2 663 B10R1.13 O=C(O)C1=CC=C(S)N=C1 104418 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 065973 [0,1,0,0,1,0|1,0,0]=3 665 B10R1.13 O=C(O)C1=CN=C(F)C=C1 019469 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.13 O=C(O)C1=CN=C(O)C=N1 037360 [0,1,0,0,1,0|2,0,0]=4 667 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 033053 [0,1,0,0,1,0|1,0,0]=3 668 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 076094 [0,1,0,0,1,0|2,0,0]=4 669 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 035856 [0,1,0,0,1,0|1,0,0]=3 670 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 049782 [0,1,0,0,1,0|2,0,0]=4 671 B10R1.13 O=C(O)C1=NC=C(F)C=C1 042887 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.13 O=C(O)C1=NC=C(O)C=C1 066001 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 012755 [0,1,0,0,1,0|0,0,1]=3 674 B10R1.13 O=C1C=CC(C(=O)O)=NN1 028551 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.13 O=S([O-])C1=CC=C(Cl)C=C1 005929 [0,1,0,0,1,0|1,0,1]=4 676 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 005945 [0,1,0,0,1,0|1,0,1]=4 677 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 078591 [0,1,0,0,1,0|1,0,1]=4 678 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 240926 [0,1,0,0,1,0|1,0,1]=4 679 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 002698 [0,1,0,0,1,0|1,0,1]=4 680 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 211968 [0,1,0,0,1,0|1,0,1]=4 681 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 097791 [0,1,0,0,1,0|1,0,1]=4 682 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 019486 [0,1,0,0,1,0|1,0,1]=4 683 B10R1.13 O=[N+]([O-])C1=CC=C([O-])C=C1 242860 [0,1,0,0,1,0|1,0,1]=4 684 B10R1.13 OB(O)C1=CC=C(Br)C=C1 010981 [0,1,0,0,1,0|1,0,1]=4 685 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 010986 [0,1,0,0,1,0|1,0,1]=4 686 B10R1.13 OB(O)C1=CC=C(F)C=C1 006182 [0,1,0,0,1,0|1,0,1]=4 687 B10R1.13 OB(O)C1=CC=C(I)C=C1 011042 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.13 OB(O)C1=CC=C(O)C=C1 078611 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.13 OB(O)C1=CC=C(S)C=C1 092799 [0,1,0,0,1,0|1,0,1]=4 690 B10R1.28 CC(C)(O)C1=CC=CC=C1 493347 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 001313 [0,1,0,0,1,0|1,0,1]=4 692 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 093324 [0,1,0,0,1,0|1,0,1]=4 693 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 105943 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 306851 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 046725 [0,1,0,0,1,0|1,0,1]=4 696 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 046724 [0,1,0,0,1,0|1,0,0]=3 697 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 242250 [0,1,0,0,1,0|1,0,0]=3 698 B10R1.28 O=S(=O)(O)C1=CC=CC=N1 434335 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 035873 [0,1,0,0,1,0|1,0,0]=3 700 B10R1.61 CC(=O)C1=C(F)C=CC=C1 001616 [0,1,0,0,1,0|1,0,0]=3 701 B10R1.61 CC(=O)C1=CC=CC=C1Cl 003397 [0,1,0,0,1,0|1,0,0]=3 702 B10R1.61 CC(=O)C1=CC=CC=C1I 075032 [0,1,0,0,1,0|1,0,0]=3 703 B10R1.61 CC(=O)C1=CC=CC=C1N 076856 [0,1,0,0,1,0|1,0,0]=3 704 B10R1.61 CC(=O)C1=CC=CC=C1O 078584 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.61 CC(=O)C1=CC=CN=C1Cl 044180 [0,1,0,0,1,0|2,0,0]=4 706 B10R1.61 CC(=O)C1=CC=CN=C1F 233395 [0,1,0,0,1,0|2,0,0]=4 707 B10R1.61 CC(O)C1=C(Br)C=CC=C1 094463 [0,1,0,0,1,0|1,0,1]=4 708 B10R1.61 CC(O)C1=C(F)C=CC=C1 006337 [0,1,0,0,1,0|1,0,1]=4 709 B10R1.61 CC1=C(B(O)O)C=CC=C1 002464 [0,1,0,0,1,0|1,0,1]=4 710 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 387693 [0,1,0,0,1,0|1,0,0]=3 711 B10R1.61 CC1=C(C(=O)O)C=CC=N1 043686 [0,1,0,0,1,0|1,0,0]=3 712 B10R1.61 CC1=C(C(N)=O)C=CC=C1 341826 [0,1,0,0,1,0|1,0,0]=3 713 B10R1.61 CC1=C(C(N)=S)C=CC=C1 021341 [0,1,0,0,1,0|1,1,0]=4 714 B10R1.61 CC1=C(C(N)=S)C=CC=C1 097832 [0,1,0,0,1,0|1,1,0]=4 715 B10R1.61 CC1=CC=CC=C1C(=O)O 242818 [0,1,0,0,1,0|0,0,0]=2 716 B10R1.61 CC1=CC=CC=C1[N+](=O)[O-] 241126 [0,1,0,0,1,0|1,0,1]=4 717 B10R1.61 CC1=CC=CN=C1C(=O)O 009287 [0,1,0,0,1,0|1,0,0]=3 718 B10R1.61 CC1=CC=NC=C1C(=O)O 066091 [0,1,0,0,1,0|1,0,0]=3 719 B10R1.61 CC1=NC=CN=C1C(=O)O 076663 [0,1,0,0,1,0|2,0,0]=4 720 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 001052 [0,1,0,0,1,0|1,0,0]=3 721 B10R1.61 NC(=O)C1=C(Cl)N=CC=C1 009758 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.61 NC(=O)C1=C(F)C=CC=C1 002696 [0,1,0,0,1,0|1,0,0]=3 723 B10R1.61 NC(=O)C1=C(N)C=CC=C1 018166 [0,1,0,0,1,0|1,0,0]=3 724 B10R1.61 NC(=O)C1=C(N)C=CN=C1 077299 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.61 NC(=O)C1=CC=CC=C1Cl 018355 [0,1,0,0,1,0|1,0,0]=3 726 B10R1.61 NC(=O)C1=CC=CC=C1I 242099 [0,1,0,0,1,0|1,0,0]=3 727 B10R1.61 NC(=O)C1=CC=CC=C1O 091532 [0,1,0,0,1,0|1,0,0]=3 728 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 021313 [0,1,0,0,1,0|1,1,0]=4 729 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 021317 [0,1,0,0,1,0|1,1,0]=4 730 B10R1.61 NC(=S)C1=C(N)C=CC=C1 021307 [0,1,0,0,1,0|1,1,0]=4 731 B10R1.61 NC1=C(C(=O)O)C=CN=C1 017211 [0,1,0,0,1,0|1,0,0]=3 732 B10R1.61 NC1=C(C(=O)O)C=NC=C1 024507 [0,1,0,0,1,0|1,0,0]=3 733 B10R1.61 NC1=C(C(=O)O)C=NC=N1 017338 [0,1,0,0,1,0|2,0,0]=4 734 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 003515 [0,1,0,0,1,0|1,0,1]=4 735 B10R1.61 NC1=CC=CC=C1B(O)O 036738 [0,1,0,0,1,0|1,0,1]=4 736 B10R1.61 NC1=CC=CN=C1C(=O)O 046510 [0,1,0,0,1,0|1,0,0]=3 737 B10R1.61 NC1=NC=CC=C1C(=O)O 033046 [0,1,0,0,1,0|1,0,0]=3 738 B10R1.61 NC1=NC=CN=C1C(=O)O 046147 [0,1,0,0,1,0|2,0,0]=4 739 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 001051 [0,1,0,0,1,0|1,0,0]=3 740 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 033704 [0,1,0,0,1,0|1,0,0]=3 741 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 001420 [0,1,0,0,1,0|1,0,0]=3 742 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 044618 [0,1,0,0,1,0|1,0,0]=3 743 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 003019 [0,1,0,0,1,0|0,0,0]=2 744 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 013136 [0,1,0,0,1,0|1,0,0]=3 745 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 043643 [0,1,0,0,1,0|1,0,0]=3 746 B10R1.61 O=C(O)C1=C(F)C=CC=C1 001700 [0,1,0,0,1,0|0,0,0]=2 747 B10R1.61 O=C(O)C1=C(F)C=NC=C1 010728 [0,1,0,0,1,0|1,0,0]=3 748 B10R1.61 O=C(O)C1=C(S)C=CC=C1 051239 [0,1,0,0,1,0|0,0,0]=2 749 B10R1.61 O=C(O)C1=CC=CC=C1Cl 209204 [0,1,0,0,1,0|0,0,0]=2 750 B10R1.61 O=C(O)C1=CC=CC=C1I 079522 [0,1,0,0,1,0|0,0,0]=2 751 B10R1.61 O=C(O)C1=CC=CC=C1O 065853 [0,1,0,0,1,0|0,0,0]=2 752 B10R1.61 O=C(O)C1=CC=CC=C1O 102073 [0,1,0,0,1,0|0,0,0]=2 753 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] 099201 [0,1,0,0,1,0|1,0,0]=3 754 B10R1.61 O=C(O)C1=CC=CN=C1Br 033056 [0,1,0,0,1,0|1,0,0]=3 755 B10R1.61 O=C(O)C1=CC=CN=C1Cl 010748 [0,1,0,0,1,0|1,0,0]=3 756 B10R1.61 O=C(O)C1=CC=CN=C1F 005467 [0,1,0,0,1,0|1,0,0]=3 757 B10R1.61 O=C(O)C1=CC=CN=C1O 009264 [0,1,0,0,1,0|1,0,0]=3 758 B10R1.61 O=C(O)C1=CC=CN=C1S 066075 [0,1,0,0,1,0|1,0,0]=3 759 B10R1.61 O=C(O)C1=CC=NC=C1Br 045000 [0,1,0,0,1,0|1,0,0]=3 760 B10R1.61 O=C(O)C1=CN=CC=C1O 065976 [0,1,0,0,1,0|1,0,0]=3 761 B10R1.61 O=C(O)C1=CN=CN=C1O 214644 [0,1,0,0,1,0|2,0,0]=4 762 B10R1.61 O=C(O)C1=NC=CC=C1Br 012713 [0,1,0,0,1,0|1,0,0]=3 763 B10R1.61 O=C(O)C1=NC=CC=C1Cl 010712 [0,1,0,0,1,0|1,0,0]=3 764 B10R1.61 O=C(O)C1=NC=CC=C1F 032521 [0,1,0,0,1,0|1,0,0]=3 765 B10R1.61 O=C(O)C1=NC=CC=C1O 046828 [0,1,0,0,1,0|1,0,0]=3 766 B10R1.61 O=C(O)C1=NC=CN=C1Cl 040204 [0,1,0,0,1,0|2,0,0]=4 767 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 012754 [0,1,0,0,1,0|0,0,1]=3 768 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 002709 [0,1,0,0,1,0|1,0,1]=4 769 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 098995 [0,1,0,0,1,0|1,0,1]=4 770 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 001674 [0,1,0,0,1,0|1,0,1]=4 771 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 001037 [0,1,0,0,1,0|1,0,1]=4 772 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O 222309 [0,1,0,0,1,0|1,0,1]=4 773 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 010984 [0,1,0,0,1,0|1,0,1]=4 774 B10R1.61 OB(O)C1=C(F)C=CC=C1 008162 [0,1,0,0,1,0|1,0,1]=4 775 B10R1.61 OB(O)C1=C(O)C=CC=C1 033136 [0,1,0,0,1,0|1,0,1]=4 776 B10R1.61 OB(O)C1=CC=CC=C1Br 045258 [0,1,0,0,1,0|1,0,1]=4 777 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 008816 [0,1,0,0,1,0|1,0,0]=3 778 B10R1.113 CC(=O)C1=CC(C)=CC=C1 349312 [0,1,0,0,1,0|1,0,0]=3 779 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 024871 [0,1,0,0,1,0|1,0,0]=3 780 B10R1.113 CC(=O)C1=CC(F)=CC=C1 001467 [0,1,0,0,1,0|1,0,0]=3 781 B10R1.113 CC(=O)C1=CC(I)=CC=C1 147400 [0,1,0,0,1,0|1,0,0]=3 782 B10R1.113 CC(=O)C1=CC(N)=CC=C1 001722 [0,1,0,0,1,0|1,0,0]=3 783 B10R1.113 CC(=O)C1=CC=CC(O)=C1 078748 [0,1,0,0,1,0|1,0,0]=3 784 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 300933 [0,1,0,0,1,0|2,0,0]=4 785 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 077437 [0,1,0,0,1,0|2,0,0]=4 786 B10R1.113 CC(=O)C1=NC(C)=CC=C1 215987 [0,1,0,0,1,0|2,0,0]=4 787 B10R1.113 CC(=O)C1=NC=CC(C)=C1 068379 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 047445 [0,1,0,0,1,0|2,0,0]=4 789 B10R1.113 CC(O)C1=CC(Br)=CC=C1 003550 [0,1,0,0,1,0|1,0,1]=4 790 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 353644 [0,1,0,0,1,0|1,0,1]=4 791 B10R1.113 CC(O)C1=CC(F)=CC=C1 006338 [0,1,0,0,1,0|1,0,1]=4 792 B10R1.113 CC1=CC(B(O)O)=CC=C1 010853 [0,1,0,0,1,0|1,0,1]=4 793 B10R1.113 CC1=CC(C(=O)Cl)=CC=C1 095026 [0,1,0,0,1,0|1,0,0]=3 794 B10R1.113 CC1=CC(C(=O)O)=CC=C1 242869 [0,1,0,0,1,0|0,0,0]=2 795 B10R1.113 CC1=CC(C(=O)O)=CC=N1 045782 [0,1,0,0,1,0|1,0,0]=3 796 B10R1.113 CC1=CC(C(N)=O)=CC=C1 324085 [0,1,0,0,1,0|1,0,0]=3 797 B10R1.113 CC1=CC=CC(C(=O)O)=N1 011322 [0,1,0,0,1,0|1,0,0]=3 798 B10R1.113 CC1=CC=CC(C(C)O)=C1 033735 [0,1,0,0,1,0|1,0,1]=4 799 B10R1.113 CC1=CC=CC(C(N)=S)=C1 021340 [0,1,0,0,1,0|1,1,0]=4 800 B10R1.113 CC1=CC=CC(C(N)=S)=C1 097831 [0,1,0,0,1,0|1,1,0]=4 801 B10R1.113 CC1=CC=CC([N+](=O)[O-])=C1 208843 [0,1,0,0,1,0|1,0,1]=4 802 B10R1.113 CC1=CN=CC(C(=O)O)=C1 024697 [0,1,0,0,1,0|1,0,0]=3 803 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 103760 [0,1,0,0,1,0|2,0,0]=4 804 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 181849 [0,1,0,0,1,0|2,0,0]=4 805 B10R1.113 N=C(N)C1=CC(N)=CC=C1 540016 [0,1,0,0,1,0|2,0,0]=4 806 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 036153 [0,1,0,0,1,0|1,0,0]=3 807 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 068498 [0,1,0,0,1,0|2,0,0]=4 808 B10R1.113 NC(=O)C1=CC(F)=CC=C1 006180 [0,1,0,0,1,0|1,0,0]=3 809 B10R1.113 NC(=O)C1=CC(I)=CC=C1 036159 [0,1,0,0,1,0|1,0,0]=3 810 B10R1.113 NC(=O)C1=CC(N)=CC=C1 018167 [0,1,0,0,1,0|1,0,0]=3 811 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 018356 [0,1,0,0,1,0|1,0,0]=3 812 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 024703 [0,1,0,0,1,0|2,0,0]=4 813 B10R1.113 NC(=O)C1=CC=NC(Cl)=C1 017099 [0,1,0,0,1,0|2,0,0]=4 814 B10R1.113 NC(=O)C1=NC(F)=CC=C1 013003 [0,1,0,0,1,0|2,0,0]=4 815 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 068535 [0,1,0,0,1,0|2,0,0]=4 816 B10R1.113 NC(=S)C1=CC(Br)=CC=C1 021312 [0,1,0,0,1,0|1,1,0]=4 817 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 021322 [0,1,0,0,1,0|1,1,0]=4 818 B10R1.113 NC(=S)C1=CC(F)=CC=C1 021325 [0,1,0,0,1,0|1,1,0]=4 819 B10R1.113 NC(=S)C1=CC(N)=CC=C1 021308 [0,1,0,0,1,0|1,1,0]=4 820 B10R1.113 NC1=CC(C(=O)O)=CC=C1 078487 [0,1,0,0,1,0|0,0,0]=2 821 B10R1.113 NC1=CC(C(=O)O)=CC=N1 045247 [0,1,0,0,1,0|1,0,0]=3 822 B10R1.113 NC1=CC(C(=O)O)=NC=C1 066080 [0,1,0,0,1,0|1,0,0]=3 823 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 094473 [0,1,0,0,1,0|1,0,1]=4 824 B10R1.113 NC1=CC=CC(B(O)O)=C1 021277 [0,1,0,0,1,0|1,0,1]=4 825 B10R1.113 NC1=CC=CC(B(O)O)=C1 065558 [0,1,0,0,1,0|1,0,1]=4 826 B10R1.113 NC1=CC=CC(B(O)O)=C1 M02697 [0,1,0,0,1,0|1,0,1]=4 827 B10R1.113 NC1=CN=CC(C(=O)O)=C1 024647 [0,1,0,0,1,0|1,0,0]=3 828 B10R1.113 NC1=NC(C(=O)O)=CC=C1 033257 [0,1,0,0,1,0|1,0,0]=3 829 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 024397 [0,1,0,0,1,0|1,0,0]=3 830 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 066675 [0,1,0,0,1,0|2,0,0]=4 831 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 098670 [0,1,0,0,1,0|1,0,0]=3 832 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 001641 [0,1,0,0,1,0|1,0,0]=3 833 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 014704 [0,1,0,0,1,0|1,0,0]=3 834 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=C1 017100 [0,1,0,0,1,0|2,0,0]=4 835 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 109800 [0,1,0,0,1,0|0,0,0]=2 836 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 009061 [0,1,0,0,1,0|1,0,0]=3 837 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 024767 [0,1,0,0,1,0|1,0,0]=3 838 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 043669 [0,1,0,0,1,0|1,0,0]=3 839 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 010413 [0,1,0,0,1,0|1,0,0]=3 840 B10R1.113 O=C(O)C1=CC(F)=CC=C1 002167 [0,1,0,0,1,0|0,0,0]=2 841 B10R1.113 O=C(O)C1=CC(F)=NC=C1 005468 [0,1,0,0,1,0|1,0,0]=3 842 B10R1.113 O=C(O)C1=CC(I)=CC=C1 147800 [0,1,0,0,1,0|0,0,0]=2 843 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 078545 [0,1,0,0,1,0|0,0,0]=2 844 B10R1.113 O=C(O)C1=CC=CC(F)=N1 005466 [0,1,0,0,1,0|1,0,0]=3 845 B10R1.113 O=C(O)C1=CC=CC(O)=C1 208854 [0,1,0,0,1,0|0,0,0]=2 846 B10R1.113 O=C(O)C1=CC=CC(O)=N1 045246 [0,1,0,0,1,0|1,0,0]=3 847 B10R1.113 O=C(O)C1=CC=NC(O)=C1 043645 [0,1,0,0,1,0|1,0,0]=3 848 B10R1.113 O=C(O)C1=CN=CC(F)=C1 035868 [0,1,0,0,1,0|1,0,0]=3 849 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 021278 [0,1,0,0,1,0|1,0,0]=3 850 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 013139 [0,1,0,0,1,0|1,0,0]=3 851 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 062993 [0,1,0,0,1,0|2,0,0]=4 852 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 036988 [0,1,0,0,1,0|1,0,0]=3 853 B10R1.113 O=C(O)C1=NC=CC(O)=C1 093182 [0,1,0,0,1,0|1,0,0]=3 854 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 077265 [0,1,0,0,1,0|2,0,0]=4 855 B10R1.113 O=C(O)C1=NC=NC(O)=C1 076404 [0,1,0,0,1,0|2,0,0]=4 856 B10R1.113 O=S([O-])C1=CC=CC(Cl)=C1 045928 [0,1,0,0,1,0|1,0,1]=4 857 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CC=C1 242821 [0,1,0,0,1,0|1,0,1]=4 858 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 001678 [0,1,0,0,1,0|1,0,1]=4 859 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 002716 [0,1,0,0,1,0|1,0,1]=4 860 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 024562 [0,1,0,0,1,0|1,0,1]=4 861 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 010985 [0,1,0,0,1,0|1,0,1]=4 862 B10R1.113 OB(O)C1=CC(I)=CC=C1 011041 [0,1,0,0,1,0|1,0,1]=4 863 B10R1.113 OB(O)C1=CC(O)=CC=C1 024329 [0,1,0,0,1,0|1,0,1]=4 864 B10R1.113 OB(O)C1=CC=CC(Br)=C1 016107 [0,1,0,0,1,0|1,0,1]=4 865 B10R1.113 OB(O)C1=CC=CC(F)=C1 010996 [0,1,0,0,1,0|1,0,1]=4 866 B10R1.113 OB(O)C1=CC=CC(S)=C1 334272 [0,1,0,0,1,0|1,0,1]=4 867 B10R1.23 NC(C(=O)O)C1=CSC=C1 447389 [0,1,0,0,1,0|1,0,0]=3 868 B10R1.27 COC(=O)CC1=CC=CS1 011193 [0,1,0,0,1,0|1,0,0]=3 869 B10R1.27 N\C(CC1=CC=CS1)=N/O 098017 [0,1,0,0,1,0|2,0,0]=4 870 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [0,1,0,0,0,1|1,0,0]=3 871 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [0,1,0,0,0,1|1,0,0]=3 872 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [0,1,0,0,0,1|1,0,0]=3 873 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [0,1,0,0,0,1|1,0,0]=3 874 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [0,1,0,0,0,1|0,0,0]=2 875 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 018822 [0,1,0,0,0,1|1,1,0]=4 876 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 106072 [0,1,0,0,0,1|1,0,0]=3 877 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 042198 [0,1,0,0,0,1|0,0,0]=2 878 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [0,1,0,0,0,1|0,0,1]=3 879 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [0,1,0,0,0,1|1,0,0]=3 880 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 106325 [0,1,0,0,0,1|1,0,0]=3 881 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 106307 [0,1,0,0,0,1|1,0,0]=3 882 B12R1.21 NC(=S)NCC1=CC=C(Cl)C=C1 018363 [0,1,0,0,0,1|1,1,0]=4 883 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [0,1,0,0,0,1|0,0,0]=2 884 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [0,1,0,0,0,1|0,0,1]=3 885 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [0,1,0,0,0,1|0,0,1]=3 886 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [0,1,0,0,0,1|0,0,1]=3 887 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [0,1,0,0,0,1|1,0,0]=3 888 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 014744 [0,1,0,0,0,1|1,0,1]=4 889 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [0,1,0,0,0,1|0,0,0]=2 890 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [0,1,0,0,0,1|0,0,0]=2 891 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [0,1,0,0,0,1|0,0,0]=2 892 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [0,1,0,0,0,1|0,0,0]=2 893 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [0,1,0,0,0,1|0,0,0]=2 894 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 216660 [0,1,0,0,0,1|0,0,0]=2 895 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 006318 [0,1,0,0,0,1|0,0,0]=2 896 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [0,1,0,0,0,1|0,0,0]=2 897 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 033382 [0,1,0,0,0,1|0,0,0]=2 898 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 006343 [0,1,0,0,0,1|0,0,0]=2 899 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [0,1,0,0,0,1|0,0,1]=3 900 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [0,1,0,0,0,1|0,0,1]=3 901 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [0,1,0,0,0,1|0,0,1]=3 902 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [0,1,0,0,0,1|0,0,1]=3 903 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [0,1,0,0,0,1|0,0,1]=3 904 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 242828 [0,1,0,0,0,1|1,0,0]=3 905 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [0,1,0,0,0,1|1,0,0]=3 906 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [0,1,0,0,0,1|1,1,0]=4 907 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [0,1,0,0,0,1|0,0,0]=2 908 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [0,1,0,0,0,1|0,0,0]=2 909 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [0,1,0,0,0,1|0,0,0]=2 910 B12R1.27 COC(=O)CSC1=NC=CC=C1 097692 [0,1,0,0,0,1|1,0,0]=3 911 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [0,1,0,0,0,1|0,0,1]=3 912 B12R1.27 NCC(=O)OCC1=CC=CC=C1 038264 [0,1,0,0,0,1|1,0,0]=3 913 B12R1.27 NCC(=O)OCC1=CC=CC=C1 M03020 [0,1,0,0,0,1|1,0,0]=3 914 B12R1.27 NCC(O)COC1=CC=CC=C1 471059 [0,1,0,0,0,1|1,0,1]=4 915 B12R1.27 NNC(=O)OCC1=CC=CC=C1 018210 [0,1,0,0,0,1|1,0,0]=3 916 B12R1.27 NNC(=S)NCC1=CC=CC=C1 018233 [0,1,0,0,0,1|1,1,0]=4 917 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 080332 [0,1,0,0,0,1|1,0,0]=3 918 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 057933 [0,1,0,0,0,1|1,0,0]=3 919 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 320035 [0,1,0,0,0,1|1,0,0]=3 920 B12R1.27 O=C(CO)OCC1=CC=CC=C1 243220 [0,1,0,0,0,1|0,0,0]=2 921 B12R1.27 OCC(O)COC1=CC=CC=C1 001784 [0,1,0,0,0,1|0,0,2]=4 922 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [0,1,0,0,0,1|0,0,0]=2 923 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,1,0,0,0,1|0,0,1]=3 924 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [0,1,0,0,0,1|1,0,0]=3 925 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 093728 [0,1,0,0,0,1|0,0,0]=2 926 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 404464 [0,1,0,0,0,1|0,0,0]=2 927 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M02961 [0,1,0,0,0,1|0,0,0]=2 928 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M02934 [0,1,0,0,0,1|0,0,0]=2 929 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [0,1,0,0,0,1|0,0,0]=2 930 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [0,1,0,0,0,1|0,0,0]=2 931 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 013693 [0,1,0,0,0,1|0,0,1]=3 932 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [0,1,0,0,0,1|1,0,0]=3 933 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [0,1,0,0,0,1|1,0,0]=3 934 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [0,1,0,0,0,1|1,0,0]=3 935 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 358190 [0,1,0,0,0,1|0,0,0]=2 936 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 034469 [0,1,0,0,0,1|0,0,0]=2 937 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 040244 [0,1,0,0,0,1|0,0,0]=2 938 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 103042 [0,1,0,0,0,1|0,0,0]=2 939 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 105772 [0,1,0,0,0,1|1,0,0]=3 940 B12R1.125 CC1=CC=CC=C1CCC(=O)O 018855 [0,1,0,0,0,1|0,0,0]=2 941 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [0,1,0,0,0,1|0,0,1]=3 942 B12R1.125 NC(=O)COC1=C(Br)C=CC=C1 106163 [0,1,0,0,0,1|1,0,0]=3 943 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [0,1,0,0,0,1|1,0,0]=3 944 B12R1.125 NC(=O)COC1=C(F)C=CC=C1 105773 [0,1,0,0,0,1|1,0,0]=3 945 B12R1.125 NC(=O)\C=C\C1=C(F)C=CC=C1 102686 [0,1,0,0,0,1|1,0,1]=4 946 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F 014739 [0,1,0,0,0,1|1,0,1]=4 947 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 009235 [0,1,0,0,0,1|0,0,0]=2 948 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 018310 [0,1,0,0,0,1|0,0,0]=2 949 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 018433 [0,1,0,0,0,1|0,0,0]=2 950 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 042079 [0,1,0,0,0,1|0,0,0]=2 951 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 103444 [0,1,0,0,0,1|0,0,0]=2 952 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [0,1,0,0,0,1|0,0,1]=3 953 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [0,1,0,0,0,1|0,0,1]=3 954 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [0,1,0,0,0,1|0,0,1]=3 955 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [0,1,0,0,0,1|0,0,1]=3 956 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 018856 [0,1,0,0,0,1|0,0,0]=2 957 B12R1.226 CC1=CC(OCC(N)=O)=CC=C1 106075 [0,1,0,0,0,1|1,0,0]=3 958 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [0,1,0,0,0,1|0,0,1]=3 959 B12R1.226 N=C(N)COC1=CC(Cl)=CC=C1 061473 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.226 NC(=O)COC1=CC(Br)=CC=C1 069821 [0,1,0,0,0,1|1,0,0]=3 961 B12R1.226 NC(=O)COC1=CC(Cl)=CC=C1 403355 [0,1,0,0,0,1|1,0,0]=3 962 B12R1.226 NC(=O)COC1=CC(F)=CC=C1 106305 [0,1,0,0,0,1|1,0,0]=3 963 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 002499 [0,1,0,0,0,1|0,0,0]=2 964 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 018311 [0,1,0,0,0,1|0,0,0]=2 965 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 018434 [0,1,0,0,0,1|0,0,0]=2 966 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 018728 [0,1,0,0,0,1|0,0,0]=2 967 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 040411 [0,1,0,0,0,1|0,0,0]=2 968 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [0,1,0,0,0,1|0,0,1]=3 969 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [0,1,0,0,0,1|0,0,1]=3 970 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [0,1,0,0,0,1|0,0,1]=3 971 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [0,1,0,0,0,1|0,0,1]=3 972 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 020880 [0,1,0,0,0,1|1,0,1]=4 973 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 342216 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 375189 [0,1,0,0,0,1|2,0,0]=4 975 B12R1.4 C(=O)C1=CC=C(OC(C)=O)C=C1 002485 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 036627 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 100200 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.4 CC(=O)NC1=CC=C(CCl)C=C1 018145 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.4 CC(=O)OC1=CC=C(C#N)C=C1 097966 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 314018 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 078964 [0,2,0,0,0,0|0,0,0]=2 982 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 003622 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 040242 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 091550 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 340783 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 209286 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 047706 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.19 CC(=O)NC1=CC(F)=C(F)C=C1 013299 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.19 CC1=C(C)C=C(NC(N)=O)C=C1 348908 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 005805 [0,2,0,0,0,0|0,0,0]=2 991 B12R1.19 NC(=O)NC1=CC=C(Cl)C(Cl)=C1 077678 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.19 O=C(Cl)CC1=CC=C(F)C(F)=C1 038315 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 024228 [0,2,0,0,0,0|0,0,0]=2 994 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 001384 [0,2,0,0,0,0|0,0,0]=2 995 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 005666 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 002092 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 209995 [0,2,0,0,0,0|0,0,0]=2 998 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 092681 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 023376 [0,2,0,0,0,0|1,0,1]=4 1000 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 077631 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 245810 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 394018 [0,2,0,0,0,0|0,0,1]=3 1003 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 040245 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 180320 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 078029 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 040395 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 007904 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 034407 [0,2,0,0,0,0|0,0,0]=2 1009 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 222543 [0,2,0,0,0,0|0,0,0]=2 1010 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 040396 [0,2,0,0,0,0|0,0,0]=2 1011 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 040273 [0,2,0,0,0,0|0,0,0]=2 1012 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 093194 [0,2,0,0,0,0|0,0,0]=2 1013 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 019427 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 229418 [0,2,0,0,0,0|0,0,0]=2 1015 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 006259 [0,2,0,0,0,0|0,0,0]=2 1016 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 209478 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 234352 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.49 CC1=CC=C(C\C(N)=N\O)C=C1 098049 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.49 CCC(=O)OC1=CC=C(Br)C=C1 043371 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 314877 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 043034 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 094941 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 092183 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 032725 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 038714 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 023575 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 037384 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.49 NNC(=O)NC1=CC=C(Cl)C=C1 018442 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O 011107 [0,2,0,0,0,0|1,0,0]=3 1030 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O 098048 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.49 O=C(CBr)NC1=CC=C(Br)C=C1 368213 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 004368 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 020886 [0,2,0,0,0,0|1,0,1]=4 1034 B12R1.106 CS(=O)(=O)CC1=CC=C(Br)C=C1 024347 [0,2,0,0,0,0|1,0,1]=4 1035 B12R1.106 NS(=O)(=O)CC1=CC=C(Br)C=C1 044464 [0,2,0,0,0,0|1,0,1]=4 1036 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Br)C=C1 024384 [0,2,0,0,0,0|1,0,1]=4 1037 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 400163 [0,2,0,0,0,0|1,0,0]=3 1038 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 004204 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 004774 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 099517 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1F 003156 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.233 CC1=CC(C)=C(NC(N)=O)C=C1 018640 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.233 NC(=O)CC1=C(Cl)C=C(Cl)C=C1 104920 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.233 NC(=O)CC1=C(F)C=C(Br)C=C1 103251 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.233 NC(=O)CC1=C(F)C=C(F)C=C1 102447 [0,2,0,0,0,0|1,0,0]=3 1046 B12R1.233 NC(=O)NC1=C(Cl)C=C(Cl)C=C1 104018 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.233 O=C(Cl)CC1=C(F)C=C(Br)C=C1 103014 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.233 O=C(Cl)CC1=C(F)C=C(F)C=C1 038314 [0,2,0,0,0,0|1,0,0]=3 1049 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1Cl 014711 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 034918 [0,2,0,0,0,0|0,0,0]=2 1051 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 001382 [0,2,0,0,0,0|0,0,0]=2 1052 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 009422 [0,2,0,0,0,0|0,0,0]=2 1053 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 001927 [0,2,0,0,0,0|0,0,0]=2 1054 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F 033577 [0,2,0,0,0,0|0,0,0]=2 1055 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 209363 [0,2,0,0,0,0|0,0,1]=3 1056 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 066747 [0,2,0,0,0,0|0,0,0]=2 1057 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 246440 [0,2,0,0,0,0|0,0,0]=2 1058 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 180737 [0,2,0,0,0,0|0,0,0]=2 1059 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 375328 [0,2,0,0,0,0|0,0,0]=2 1060 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 342262 [0,2,0,0,0,0|0,0,0]=2 1061 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 222157 [0,2,0,0,0,0|0,0,0]=2 1062 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 093736 [0,2,0,0,0,0|0,0,0]=2 1063 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 078970 [0,2,0,0,0,0|0,0,0]=2 1064 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 078724 [0,2,0,0,0,0|0,0,0]=2 1065 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 320741 [0,2,0,0,0,0|1,0,1]=4 1066 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 018766 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 011646 [0,2,0,0,0,0|0,0,0]=2 1068 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 011647 [0,2,0,0,0,0|0,0,0]=2 1069 B12R1.124 O=C(O)C(O)C1=C(F)C=CC=C1 009726 [0,2,0,0,0,0|0,0,0]=2 1070 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl 049142 [0,2,0,0,0,0|0,0,0]=2 1071 B12R1.124 O=C(O)[C@@H](O)C1=CC=CC=C1Cl 209997 [0,2,0,0,0,0|0,0,0]=2 1072 B12R1.225 CC1=CC(C(O)C(=O)O)=CC=C1 019269 [0,2,0,0,0,0|0,0,0]=2 1073 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 040394 [0,2,0,0,0,0|0,0,0]=2 1074 B12R1.225 O=C(O)C(O)C1=CC(O)=CC=C1 436900 [0,2,0,0,0,0|0,0,0]=2 1075 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 222415 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 307069 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.253 CC(C)(C(=O)Cl)C1=CC=CC=C1 070055 [0,2,0,0,0,0|1,0,0]=3 1078 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 075279 [0,2,0,0,0,0|0,0,0]=2 1079 B12R1.253 CC(C)(C(N)=O)C1=CC=CC=C1 356494 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 034725 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 033293 [0,2,0,0,0,0|0,0,0]=2 1082 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 235701 [0,2,0,0,0,0|0,0,0]=2 1083 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 209415 [0,2,0,0,0,0|0,0,0]=2 1084 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 223096 [0,2,0,0,0,0|0,0,0]=2 1085 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 175800 [0,2,0,0,0,0|0,0,0]=2 1086 B12R1.32 CCNC(=O)NC1=CC=CC=C1 342140 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.32 CCOC(=O)CC1=CC=CN=C1 093980 [0,2,0,0,0,0|1,0,0]=3 1088 B12R1.32 CCOC(=O)CC1=NC=CC=C1 217032 [0,2,0,0,0,0|1,0,0]=3 1089 B12R1.32 CCOC(=O)NC1=CC=CC=C1 018973 [0,2,0,0,0,0|1,0,0]=3 1090 B12R1.32 CCOC(=O)NC1=CN=CC=C1 351537 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.32 CN(CCO)CC1=CC=CC=C1 214692 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 066637 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 043036 [0,2,0,0,0,0|0,0,0]=2 1094 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 079676 [0,2,0,0,0,0|0,0,0]=2 1095 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 239817 [0,2,0,0,0,0|0,0,0]=2 1096 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 240144 [0,2,0,0,0,0|0,0,0]=2 1097 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 209392 [0,2,0,0,0,0|0,0,0]=2 1098 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 219776 [0,2,0,0,0,0|0,0,0]=2 1099 B12R1.50 NNC(=O)NC1=CC(Cl)=CC=C1 018441 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 004367 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 209399 [0,2,0,0,0,0|1,0,1]=4 1102 B12R1.118 COC(CC1=CC=CC=C1)OC 103319 [0,2,0,0,0,0|0,0,2]=4 1103 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 026033 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.371 CNC(=O)CC1=C(C)C=CC=C1 102549 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 043033 [0,2,0,0,0,0|0,0,0]=2 1106 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 097777 [0,2,0,0,0,0|0,0,0]=2 1107 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 043032 [0,2,0,0,0,0|0,0,0]=2 1108 B12R1.371 COC(=O)CC1=CC=CC=C1Cl 223690 [0,2,0,0,0,0|0,0,0]=2 1109 B12R1.371 COC(=O)CC1=CC=CC=C1O 234007 [0,2,0,0,0,0|0,0,0]=2 1110 B12R1.371 O=C(CCl)NC1=CC=CC=C1Cl 365264 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.75 COC1=C(CC(C)O)C=CC=C1 103322 [0,2,0,0,0,0|1,0,1]=4 1112 B12R1.75 COC1=C(NC(N)=O)C=CC=C1 435972 [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 018704 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.75 COC1=CC=CC=C1CC(=O)O 078960 [0,2,0,0,0,0|0,0,0]=2 1115 B12R1.75 N#CC1=CC=CC=C1CC(=O)O 209283 [0,2,0,0,0,0|0,0,0]=2 1116 B12R1.127 CC1=CC(NC(N)=O)=C(F)C=C1 104068 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.127 NC(=O)NC1=CC(Cl)=CC=C1Cl 478517 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 110700 [0,2,0,0,0,0|0,0,0]=2 1119 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 005667 [0,2,0,0,0,0|0,0,0]=2 1120 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 001944 [0,2,0,0,0,0|0,0,0]=2 1121 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 103043 [0,2,0,0,0,0|0,0,0]=2 1122 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1F 043841 [0,2,0,0,0,0|0,0,0]=2 1123 B12R1.151 CC1=C(CP(=O)(O)O)C=CC=C1 001310 [0,2,0,0,0,0|1,0,0]=3 1124 B12R1.151 CC1=C(CS(=O)(=O)Cl)C=CC=C1 020884 [0,2,0,0,0,0|1,0,1]=4 1125 B12R1.151 CS(=O)(=O)CC1=C(Br)C=CC=C1 024351 [0,2,0,0,0,0|1,0,1]=4 1126 B12R1.151 CS(=O)(=O)CC1=C(F)C=CC=C1 024345 [0,2,0,0,0,0|1,0,1]=4 1127 B12R1.151 NS(=O)(=O)CC1=CC=CC=C1F 044644 [0,2,0,0,0,0|1,0,1]=4 1128 B12R1.151 O=S(=O)(Cl)CC1=C(Br)C=CC=C1 024386 [0,2,0,0,0,0|1,0,1]=4 1129 B12R1.151 O=S(=O)(Cl)CC1=C(F)C=CC=C1 020881 [0,2,0,0,0,0|1,0,1]=4 1130 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 001866 [0,2,0,0,0,0|0,0,0]=2 1131 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1Cl 033771 [0,2,0,0,0,0|0,0,0]=2 1132 B12R1.1009 O=C(Cl)CC1=C(F)C=CC=C1F 014715 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl 001383 [0,2,0,0,0,0|0,0,0]=2 1134 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F 004460 [0,2,0,0,0,0|0,0,0]=2 1135 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F 001966 [0,2,0,0,0,0|0,0,0]=2 1136 B12R1.101 NC(=O)NC1=CC(Cl)=CC(Cl)=C1 104020 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 049462 [0,2,0,0,0,0|0,0,0]=2 1138 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 002119 [0,2,0,0,0,0|0,0,0]=2 1139 B12R1.119 CS(=O)(=O)CC1=CC(Br)=CC=C1 024348 [0,2,0,0,0,0|1,0,1]=4 1140 B12R1.119 NS(=O)(=O)CC1=CC(Br)=CC=C1 044462 [0,2,0,0,0,0|1,0,1]=4 1141 B12R1.119 O=S(=O)(Cl)CC1=CC(Br)=CC=C1 024385 [0,2,0,0,0,0|1,0,1]=4 1142 B12R1.438 CC(=O)NC1=CC(CN)=CC=C1 023465 [0,2,0,0,0,0|2,0,0]=4 1143 B12R1.438 CC(=O)OC1=CC=CC(C=O)=C1 002484 [0,2,0,0,0,0|2,0,0]=4 1144 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 092009 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 018795 [0,2,0,0,0,0|0,0,0]=2 1146 B12R1.438 CSC1=CC=CC(OC(C)=O)=C1 103242 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.66 O=C(O)CCC1=CC=CO1 011752 [0,0,1,1,0,0|1,0,1]=4 1148 B10R1.66 O=C(O)\C=C\C1=CC=CO1 099099 [0,0,1,1,0,0|1,0,1]=4 1149 B10R1.66 O=C(O)\C=C\C1=CC=CS1 018999 [0,0,1,1,0,0|1,0,1]=4 1150 B10R2.6 C1=CC=C(C2CC2)C=C1 049412 [1,0,0,1,0,0|1,0,1]=4 1151 B10R2.6 C1=CC=C(C2CO2)C=C1 227689 [1,0,0,1,0,0|0,0,1]=3 1152 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 221507 [1,0,0,1,0,0|0,0,1]=3 1153 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 223292 [1,0,0,1,0,0|0,0,1]=3 1154 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,1,0,0|1,0,0]=3 1155 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [1,0,0,1,0,0|1,0,1]=4 1156 B10R2.7 C1=CC=C2CNCC2=C1 041927 [1,0,0,1,0,0|2,0,0]=4 1157 B10R2.7 C1=CC=C2NC=CC2=C1 068792 [1,0,0,1,0,0|1,0,1]=4 1158 B10R2.7 C1=CC=C2NC=NC2=C1 235007 [1,0,0,1,0,0|2,0,0]=4 1159 B10R2.7 C1=CC=C2NCCC2=C1 068790 [1,0,0,1,0,0|1,0,1]=4 1160 B10R2.7 C1=CC=C2OC=CC2=C1 078727 [1,0,0,1,0,0|0,0,1]=3 1161 B10R2.7 C1=CC=C2OC=NC2=C1 078910 [1,0,0,1,0,0|1,0,0]=3 1162 B10R2.7 C1=CC=C2OCCC2=C1 017117 [1,0,0,1,0,0|0,0,1]=3 1163 B10R2.7 C1=CC=C2OCOC2=C1 022089 [1,0,0,1,0,0|1,0,1]=4 1164 B10R2.7 C1=CC=C2SC=CC2=C1 003497 [1,0,0,1,0,0|0,1,1]=4 1165 B10R2.7 C1=CC=C2SC=NC2=C1 093451 [1,0,0,1,0,0|1,1,0]=4 1166 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [0,0,0,1,0,1|1,0,1]=4 1167 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [0,0,0,1,0,1|1,0,1]=4 1168 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [0,0,0,1,0,1|0,0,1]=3 1169 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [0,0,0,1,0,1|1,0,1]=4 1170 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [0,0,0,1,0,1|1,0,0]=3 1171 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [0,0,0,1,0,1|1,0,0]=3 1172 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [0,0,0,1,0,1|0,0,0]=2 1173 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [0,0,0,1,0,1|1,0,0]=3 1174 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [0,0,0,1,0,1|1,0,0]=3 1175 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [0,0,0,1,0,1|1,0,0]=3 1176 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [0,0,0,1,0,1|1,0,1]=4 1177 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [0,0,0,1,0,1|1,0,1]=4 1178 B12R2.24 S=C1NCC2=C(C=CC=C2)S1 190132 [0,0,0,1,0,1|0,2,0]=4 1179 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 066601 [0,0,0,1,0,1|0,0,0]=2 1180 B12R2.606 CC1=CC2=C(C=C1)OC(=O)N2 094105 [0,1,0,1,0,0|1,0,0]=3 1181 B12R2.606 ClC1=CC=C2N=C(Cl)OC2=C1 092308 [0,1,0,1,0,0|2,0,0]=4 1182 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 076787 [0,1,0,1,0,0|2,0,0]=4 1183 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 015552 [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 001002 [0,1,0,1,0,0|2,0,0]=4 1185 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 076758 [0,1,0,1,0,0|1,0,0]=3 1186 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 209032 [0,1,0,1,0,0|1,0,0]=3 1187 B12R2.606 O=C1CC2=C(N=CC(Br)=C2)N1 042988 [0,1,0,1,0,0|2,0,0]=4 1188 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 024250 [0,1,0,1,0,0|1,0,0]=3 1189 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 358326 [0,1,0,1,0,0|1,0,0]=3 1190 B12R2.606 O=C1NC2=CC=C(Br)C=C2S1 013435 [0,1,0,1,0,0|1,1,0]=4 1191 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 068825 [0,1,0,1,0,0|2,0,0]=4 1192 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 012694 [0,1,0,1,0,0|1,0,1]=4 1193 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O 012689 [0,1,0,1,0,0|1,0,1]=4 1194 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O 012693 [0,1,0,1,0,0|1,0,1]=4 1195 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [0,1,0,1,0,0|1,0,1]=4 1196 B12R2.18 OC1C2=CC=CC=C2CC1Br 003061 [0,1,0,1,0,0|1,0,1]=4 1197 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 013717 [0,1,0,1,0,0|0,1,1]=4 1198 B12R2.32 O=CC1=CC2=CC=CC=C2O1 036892 [0,1,0,1,0,0|0,0,1]=3 1199 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 033756 [0,1,0,1,0,0|1,1,0]=4 1200 B12R2.32 OCC1=CC2=CC=CC=C2S1 017493 [0,1,0,1,0,0|0,1,1]=4 1201 B12R2.32 OCC1=NC2=CC=CC=C2N1 010653 [0,1,0,1,0,0|2,0,0]=4 1202 B12R2.32 OCC1=NC2=CC=CC=C2S1 013600 [0,1,0,1,0,0|1,1,0]=4 1203 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 098928 [0,1,0,1,0,0|1,0,0]=3 1204 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 016126 [0,1,0,1,0,0|1,0,0]=3 1205 B8R1.8 OCCC1=CC=CS1 208753 [1,0,0,0,1,0|1,0,1]=4 1206 B8R1.8 OCCC1=CSC=C1 076012 [1,0,0,0,1,0|1,0,1]=4 1207 B8R1.7 CC(=O)C1=CC=CN1 002744 [0,0,0,0,2,0|2,0,0]=4 1208 B8R1.7 CC(=O)C1=CC=CO1 088461 [0,0,0,0,2,0|2,0,0]=4 1209 B8R1.7 CC(=O)C1=CC=CS1 005042 [0,0,0,0,2,0|2,0,0]=4 1210 B8R1.7 CC(=O)C1=CSC=C1 013392 [0,0,0,0,2,0|2,0,0]=4 1211 B8R1.7 NC(=O)C1=CC=CO1 317695 [0,0,0,0,2,0|2,0,0]=4 1212 B8R1.7 NC(=O)C1=CC=CS1 336641 [0,0,0,0,2,0|2,0,0]=4 1213 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [0,0,0,0,2,0|2,0,0]=4 1214 B8R1.7 O=C(Cl)C1=CC=CS1 099110 [0,0,0,0,2,0|2,0,0]=4 1215 B8R1.7 O=C(O)C1=CC=CN1 066141 [0,0,0,0,2,0|1,0,0]=3 1216 B8R1.7 O=C(O)C1=CC=CO1 093393 [0,0,0,0,2,0|1,0,0]=3 1217 B8R1.7 O=C(O)C1=CC=CS1 003042 [0,0,0,0,2,0|1,0,0]=3 1218 B8R1.7 O=C(O)C1=CC=NO1 017345 [0,0,0,0,2,0|2,0,0]=4 1219 B8R1.7 O=C(O)C1=CN=CS1 016173 [0,0,0,0,2,0|2,0,0]=4 1220 B8R1.7 O=C(O)C1=CNC=C1 075258 [0,0,0,0,2,0|1,0,0]=3 1221 B8R1.7 O=C(O)C1=CNC=C1 104381 [0,0,0,0,2,0|1,0,0]=3 1222 B8R1.7 O=C(O)C1=CNC=N1 011782 [0,0,0,0,2,0|2,0,0]=4 1223 B8R1.7 O=C(O)C1=CNN=C1 028020 [0,0,0,0,2,0|2,0,0]=4 1224 B8R1.7 O=C(O)C1=COC=C1 024288 [0,0,0,0,2,0|1,0,0]=3 1225 B8R1.7 O=C(O)C1=CSC=C1 003460 [0,0,0,0,2,0|1,0,0]=3 1226 B8R1.7 O=C(O)C1=CSC=N1 023485 [0,0,0,0,2,0|2,0,0]=4 1227 B8R1.7 O=C(O)C1=NC=CN1 043636 [0,0,0,0,2,0|2,0,0]=4 1228 B8R1.7 O=C(O)C1=NC=CO1 047101 [0,0,0,0,2,0|2,0,0]=4 1229 B8R1.7 O=C(O)C1=NC=CS1 046193 [0,0,0,0,2,0|2,0,0]=4 1230 B8R1.7 O=C(O)C1=NNC=C1 014533 [0,0,0,0,2,0|2,0,0]=4 1231 B12R1.252 CC(=O)COCC1=CC=CC=C1 222790 [0,0,0,0,0,2|1,0,0]=3 1232 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [0,0,0,0,0,2|1,0,0]=3 1233 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 242318 [0,0,0,0,0,2|1,0,1]=4 1234 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 242317 [0,0,0,0,0,2|1,0,1]=4 1235 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [0,0,0,0,0,2|1,0,0]=3 1236 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [0,0,0,0,0,2|1,0,0]=3 1237 B12R1.252 NC(=S)NCCC1=CC=CC=C1 010668 [0,0,0,0,0,2|1,1,0]=4 1238 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 432089 [0,0,0,0,0,2|1,0,0]=3 1239 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 318677 [0,0,0,0,0,2|1,0,0]=3 1240 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [0,0,0,0,0,2|0,0,0]=2 1241 B12R1.252 O=C(O)CCNC1=CC=CC=C1 387000 [0,0,0,0,0,2|0,0,0]=2 1242 B12R1.252 O=C(O)CCSC1=CC=CC=C1 065695 [0,0,0,0,0,2|0,0,0]=2 1243 B12R1.252 O=C(O)CNCC1=CC=CC=C1 011446 [0,0,0,0,0,2|0,0,0]=2 1244 B12R1.252 O=C(O)CSCC1=CC=CC=C1 003688 [0,0,0,0,0,2|0,0,0]=2