0 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)NC1=CC=CN=C1 032565 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(=O)NC1=CC=NC=C1 235412 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.18 N=C(O)NC1=CC=CC=C1 364335 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.18 NC(=O)NC1=NC=CC=C1 023876 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.18 NC(=S)NC1=CC=CC=C1 358215 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.18 NC(=S)NC1=CC=CC=N1 018986 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.18 NC(=S)NC1=CC=CN=C1 018987 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.18 NC(=S)NC1=CC=NC=C1 017258 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.18 O=C(Cl)SC1=CC=CC=C1 015276 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.18 O=C(O)CC1=CC=CN=C1 066081 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.18 O=C(O)CC1=CC=CN=C1 076680 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.18 O=C(O)CC1=CC=NC=C1 001787 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 180385 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.18 S=C(Cl)OC1=CC=CC=C1 046963 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.18 S=C(Cl)SC1=CC=CC=C1 239805 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.8 BrCCC1=CC=CC=C1 019261 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 Br\C=C\C1=CC=CC=C1 049835 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.8 C#CCC1=CC=CC=C1 080054 [1,0,0,0,0,0|0,0,2]=3 36 B9R1.8 C=CCC1=CC=CC=C1 005425 [1,0,0,0,0,0|0,0,2]=3 37 B9R1.8 C=CC[N+]1=CC=CC=C1 181022 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 C=CSC1=CC=CC=C1 008052 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.8 CC#CC1=CC=CC=C1 166000 [1,0,0,0,0,0|0,0,2]=3 40 B9R1.8 CCCC1=CC=CC=C1 095067 [1,0,0,0,0,0|0,0,0]=1 41 B9R1.8 CCCC1=CC=NC=C1 235894 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 CCCC1=NC=CC=C1 242850 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 CCCC1=NC=CN=C1 002735 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CCNC1=CC=CC=C1 216665 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 CCOC1=CC=CC=C1 098890 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 CCOC1=NC=CC=C1 049694 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 CCSC1=CC=CC=C1 001759 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 CCSC1=NC=CC=C1 095363 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 CNCC1=CC=CC=C1 020695 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 CNCC1=CC=NC=C1 046176 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 CSCC1=CC=CC=C1 099640 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [1,0,0,0,0,0|0,0,2]=3 53 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [1,0,0,0,0,0|0,0,2]=3 54 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.8 ClCCC1=CC=CC=C1 208883 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 ICCC1=CC=CC=C1 001087 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 N#CCC1=NC=CC=C1 047908 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.8 N#C[Se]C1=CC=CC=C1 005429 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.8 NCCC1=CC=CC=C1 046873 [1,0,0,0,0,0|0,0,0]=1 62 B9R1.8 NCCC1=CC=CN=C1 010689 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 NCCC1=CC=CN=C1 033239 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 NCCC1=CC=CN=C1 065473 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 NCCC1=CC=NC=C1 010690 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.8 NCCC1=NC=CC=C1 013702 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.8 NNCC1=CC=CC=C1 036859 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 NOCC1=CC=CC=C1 036957 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.8 O=C=NC1=CC=CC=C1 165700 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 O=CCC1=CC=CC=C1 098878 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 O=CNC1=CC=CC=C1 239406 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 O=S=NC1=CC=CC=C1 341767 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 OCCC1=CC=CC=C1 222397 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.8 OCCC1=CC=CN=C1 017523 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 OCCC1=CC=NC=C1 228335 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 OCCC1=NC=CC=C1 223718 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 ONCC1=CC=CC=C1 091512 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 ONCC1=CC=CC=C1 238633 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.8 S=C=NC1=CC=CC=C1 358191 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.20 C(F)(F)OC1=CC=C(Br)C=C1 004836 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.20 C(F)(F)OC1=CC=C(C)C=C1 004842 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.20 C(F)(F)OC1=CC=C(I)C=C1 004837 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.20 C(F)(F)OC1=CC=C(N)C=C1 004828 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 022868 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 002534 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 009228 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 154805 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 003844 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 224669 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 005037 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 358280 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 047898 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 003918 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.20 CC(=O)SC1=CC=C(Br)C=C1 103481 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 043417 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.20 CC(C)OC1=CC=C(N)C=C1 038449 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.20 CC(C)OC1=CC=C(N)C=C1 150800 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.20 CC(C)OC1=CC=C(S)C=C1 038455 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 094984 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 014710 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 001394 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.20 CC1=CC=C(CC(N)=O)C=C1 103194 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 018865 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 018863 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.20 CC1=CC=C(SC(C)C)C=C1 094759 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.20 FC(F)OC1=CC=C(Cl)C=C1 044085 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 229794 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.20 NC(=O)CC1=CC=C(Cl)N=C1 387895 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 475850 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.20 NC(=O)CC1=CC=C(I)C=C1 103474 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 018320 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 018451 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 337180 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 036720 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 021352 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 010660 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 018449 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 005417 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.20 NC(=S)NC1=CC=C(I)C=C1 018751 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 018733 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 067962 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 043462 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 014714 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 342030 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 009229 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 001227 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 046149 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 001294 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 038713 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 003630 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 494205 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 242623 [0,1,0,0,0,0|1,0,2]=4 135 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 154800 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 003400 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 093725 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 236802 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.36 CC(C)C(C)C1=CC=NC=C1 032640 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.36 CC(C)C(O)C1=CC=CC=C1 242324 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 341736 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 034471 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 093739 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 M03223 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 M03226 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 036983 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 103518 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.40 COC(=O)CC1=NC=CC=C1 092468 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 531267 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.40 NNC(=O)NC1=CC=CC=C1 358181 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.40 NNC(=S)NC1=CC=CC=C1 011215 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.40 N\C(CC1=NC=CC=C1)=N/O 098169 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.40 O=C(CBr)NC1=CC=CC=C1 080331 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.40 O=C(CBr)OC1=CC=CC=C1 235583 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.40 O=C(CCl)NC1=CC=CC=C1 307343 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.86 C(F)(F)OC1=C(Br)C=CC=C1 004835 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.86 C(F)(F)OC1=C(N)C=CC=C1 007849 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 006173 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.86 CC(=O)NC1=CC=CC=C1O 242846 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.86 CC(C)OC1=C(F)C=CC=C1 098216 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.86 CC(C)OC1=C(N)C=CC=C1 038802 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.86 CC(C)OC1=C(O)C=CC=C1 463350 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 001393 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 357821 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.86 CC1=C(OC(C)C)C=CC=C1 024930 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.86 CC1=CC=CC=C1CC(=O)Cl 014708 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.86 CC1=CC=CC=C1NC(N)=S 018861 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.86 CN(C)CC1=C(O)C=CC=C1 103436 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.86 FC(F)OC1=C(I)C=CC=C1 035589 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 357832 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.86 NC(=O)CC1=C(F)C=CC=C1 357591 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.86 NC(=O)CC1=CC=CC=C1Br 323620 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 018450 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.86 NC(=O)NC1=CC=CC=C1Br 233581 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.86 NC(=O)NC1=CC=CC=C1F 340791 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 018447 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 009242 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.86 O=C(Cl)CC1=C(Br)C=CC=C1 038304 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.86 O=C(Cl)CC1=CC=CC=C1Cl 246436 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.86 O=C(Cl)CC1=CC=CC=C1F 038271 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 001133 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 046145 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 001292 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.86 O=C(O)CC1=CC=CC=C1I 079511 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.86 O=C(O)CC1=CC=CC=C1O 044950 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 306942 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 037377 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 094704 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 006174 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 118101 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 079660 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 003917 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 224315 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.157 CC(C)OC1=CC(S)=CC=C1 023119 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 024863 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 094811 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.157 CC1=CC(CC(=O)Cl)=CC=C1 014709 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.157 CC1=CC(NC(N)=O)=CC=C1 018864 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.157 CC1=CC(NC(N)=S)=CC=C1 018862 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.157 CC1=CC(OC(C)C)=CC=C1 095161 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 001325 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.157 FC(F)OC1=CC(I)=CC=C1 035590 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 325398 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 047554 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.157 NC(=O)NC1=CC(Br)=CC=C1 068039 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.157 NC(=S)NC1=CC(Cl)=CC=C1 018448 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 006348 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 018318 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 043387 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.157 NC1=CC(OC(F)F)=CC=C1 009628 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 402704 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 402742 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 038272 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 001134 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 046146 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 001293 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 079029 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.509 CC(C)(C)CC1=CC=CC=C1 242566 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.509 CC(C)(C)OC1=CC=CC=N1 462501 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.509 CC(C)(O)CC1=CC=CC=C1 461052 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 003687 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 092068 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 005321 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 019289 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094171 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094988 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097679 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097803 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 235646 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.509 C[Si](C)(C)NC1=CC=CC=C1 S19030 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 S00950 [0,1,0,0,0,0|1,1,0]=3 247 B11R1.509 FC(F)(F)CC1=CC=CC=C1 094976 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.509 FC(F)(F)CC1=CC=CN=C1 038155 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.509 FC(F)(F)OC1=CC=CC=C1 003040 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.509 FC(F)(F)SC1=CC=CC=C1 001525 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 235521 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 003668 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 002462 [0,1,0,0,0,0|3,0,0]=4 254 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 390375 [0,0,0,1,0,0|0,0,0]=1 255 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 078866 [0,0,0,1,0,0|1,0,2]=4 256 B11R2.10 CC1=CC2=C(C=CC=C2)C1 222644 [0,0,0,1,0,0|1,0,1]=3 257 B11R2.10 CC1=CC2=C(C=CC=C2)S1 013664 [0,0,0,1,0,0|1,0,2]=4 258 B11R2.10 CC1=CC2=CC=CC=C2N1 003402 [0,0,0,1,0,0|0,0,2]=3 259 B11R2.10 CC1=NC2=CC=CC=C2N1 002989 [0,0,0,1,0,0|1,0,1]=3 260 B11R2.10 CC1=NC2=CC=CC=C2S1 222061 [0,0,0,1,0,0|1,0,2]=4 261 B11R2.10 CC1CC2=C(C=CC=C2)N1 221619 [0,0,0,1,0,0|0,0,0]=1 262 B11R2.10 ClC1=NC2=CC=CC=C2N1 010656 [0,0,0,1,0,0|2,0,1]=4 263 B11R2.10 NC1=NC2=C(C=CC=C2)O1 043838 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.10 NC1=NC2=CC=CC=C2N1 064965 [0,0,0,1,0,0|2,0,1]=4 265 B11R2.10 NC1=NC2=CC=CC=C2S1 078504 [0,0,0,1,0,0|2,0,1]=4 266 B11R2.10 NC1CC2=C(C=CC=C2)C1 046718 [0,0,0,1,0,0|0,0,0]=1 267 B11R2.10 NC1CC2=C(C=CC=C2)C1 048090 [0,0,0,1,0,0|0,0,0]=1 268 B11R2.10 O=C1CC2=C(C=CC=C2)C1 045209 [0,0,0,1,0,0|1,0,1]=3 269 B11R2.10 O=C1CC2=C(C=CC=C2)N1 093498 [0,0,0,1,0,0|1,0,1]=3 270 B11R2.10 O=C1CC2=CC=CC=C2O1 208814 [0,0,0,1,0,0|2,0,1]=4 271 B11R2.10 O=C1CC2=CC=CN=C2N1 079352 [0,0,0,1,0,0|2,0,1]=4 272 B11R2.10 O=C1NC2=CC=CC=C2O1 077983 [0,0,0,1,0,0|2,0,1]=4 273 B11R2.10 O=C1NC2=CC=CC=C2S1 009676 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.10 OC1=NC2=CC=CC=C2N1 002990 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.10 OC1CC2=C(C=CC=C2)C1 216695 [0,0,0,1,0,0|1,0,0]=2 276 B11R2.10 S=C1NC2=CC=CC=C2S1 362022 [0,0,0,1,0,0|2,0,1]=4 277 B11R2.10 SC1=NC2=CC=CC=C2N1 068818 [0,0,0,1,0,0|2,0,1]=4 278 B9R1.6 BrC(Br)C1=CC=CC=C1 243023 [0,0,0,0,1,0|2,0,0]=3 279 B9R1.6 C=C(C)C1=CC=CC=C1 245708 [0,0,0,0,1,0|1,0,1]=3 280 B9R1.6 CC(=O)C1=CC=CC=C1 043319 [0,0,0,0,1,0|1,0,1]=3 281 B9R1.6 CC(=O)C1=CC=CN=C1 032763 [0,0,0,0,1,0|2,0,1]=4 282 B9R1.6 CC(=O)C1=CC=NC=C1 033067 [0,0,0,0,1,0|2,0,1]=4 283 B9R1.6 CC(=O)C1=NC=CC=C1 044389 [0,0,0,0,1,0|2,0,1]=4 284 B9R1.6 CC(Br)C1=CC=CC=C1 001003 [0,0,0,0,1,0|1,0,0]=2 285 B9R1.6 CC(C)C1=CC=CC=C1 094649 [0,0,0,0,1,0|1,0,0]=2 286 B9R1.6 CC(C)C1=CC=NC=C1 024693 [0,0,0,0,1,0|2,0,0]=3 287 B9R1.6 CC(C)C1=NC=CC=C1 078691 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.6 CC(N)C1=CC=CC=C1 208695 [0,0,0,0,1,0|0,0,0]=1 289 B9R1.6 CC(N)C1=CC=NC=C1 030534 [0,0,0,0,1,0|1,0,0]=2 290 B9R1.6 CC(N)C1=CC=NC=C1 097930 [0,0,0,0,1,0|1,0,0]=2 291 B9R1.6 CC(N)C1=CN=CC=C1 030750 [0,0,0,0,1,0|1,0,0]=2 292 B9R1.6 CC(N)C1=NC=CC=C1 060819 [0,0,0,0,1,0|1,0,0]=2 293 B9R1.6 CC(O)C1=CC=CC=C1 098924 [0,0,0,0,1,0|1,0,0]=2 294 B9R1.6 CC(O)C1=CC=CN=C1 094012 [0,0,0,0,1,0|2,0,0]=3 295 B9R1.6 CC(O)C1=NC=CC=C1 088389 [0,0,0,0,1,0|2,0,0]=3 296 B9R1.6 CN(C)C1=CC=CC=C1 098810 [0,0,0,0,1,0|2,0,0]=3 297 B9R1.6 CN(C)C1=CC=CN=C1 032574 [0,0,0,0,1,0|3,0,0]=4 298 B9R1.6 CN(C)C1=CC=NC=C1 001704 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.6 CN(C)C1=CC=NC=C1 133700 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.6 CN(C)C1=NC=CC=C1 219108 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.6 CS(=O)C1=CC=CC=C1 180124 [0,0,0,0,1,0|2,0,0]=3 302 B9R1.6 C[C@@H](N)C1=CC=CC=C1 037431 [0,0,0,0,1,0|0,0,0]=1 303 B9R1.6 C[C@@H](N)C1=NC=CC=C1 078110 [0,0,0,0,1,0|1,0,0]=2 304 B9R1.6 C[C@@H](O)C1=CC=CC=C1 222634 [0,0,0,0,1,0|1,0,0]=2 305 B9R1.6 C[C@H](N)C1=CC=CC=C1 037432 [0,0,0,0,1,0|0,0,0]=1 306 B9R1.6 C[SiH](C)C1=CC=CC=C1 S13425 [0,0,0,0,1,0|1,1,0]=3 307 B9R1.6 C[SiH](Cl)C1=CC=CC=C1 S13525 [0,0,0,0,1,0|1,1,0]=3 308 B9R1.6 ClP(Cl)C1=CC=CC=C1 223201 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.6 Cl[SiH](Cl)C1=CC=CC=C1 S13350 [0,0,0,0,1,0|2,1,0]=4 310 B9R1.6 FC(F)C1=CC=CC=C1 035819 [0,0,0,0,1,0|2,0,0]=3 311 B9R1.6 FC(F)C1=CC=CC=N1 050442 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.6 FC(F)C1=CC=NC=C1 050447 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.6 FC(F)C1=CN=CC=C1 050443 [0,0,0,0,1,0|3,0,0]=4 314 B9R1.6 N=C(N)C1=CC=CC=C1 044622 [0,0,0,0,1,0|1,0,1]=3 315 B9R1.6 N=C(N)C1=CC=CC=C1 067951 [0,0,0,0,1,0|1,0,1]=3 316 B9R1.6 N=C(N)C1=CC=CC=C1 099104 [0,0,0,0,1,0|1,0,1]=3 317 B9R1.6 N=C(N)C1=CC=CC=C1 102340 [0,0,0,0,1,0|1,0,1]=3 318 B9R1.6 N=C(N)C1=CC=CC=N1 044914 [0,0,0,0,1,0|2,0,1]=4 319 B9R1.6 N=C(N)C1=CC=CN=C1 068345 [0,0,0,0,1,0|2,0,1]=4 320 B9R1.6 N=C(N)C1=CC=NC=C1 209227 [0,0,0,0,1,0|2,0,1]=4 321 B9R1.6 NC(=O)C1=CC=CC=C1 099462 [0,0,0,0,1,0|1,0,1]=3 322 B9R1.6 NC(=O)C1=CC=NC=C1 079012 [0,0,0,0,1,0|2,0,1]=4 323 B9R1.6 NC(=O)C1=CN=CC=C1 239905 [0,0,0,0,1,0|2,0,1]=4 324 B9R1.6 NC(=O)C1=NC=CC=C1 235663 [0,0,0,0,1,0|2,0,1]=4 325 B9R1.6 NC(=S)C1=CC=CC=C1 067940 [0,0,0,0,1,0|1,0,1]=3 326 B9R1.6 NC(=S)C1=CC=CN=C1 021345 [0,0,0,0,1,0|2,0,1]=4 327 B9R1.6 NC(=S)C1=CC=NC=C1 021346 [0,0,0,0,1,0|2,0,1]=4 328 B9R1.6 NC(=S)C1=NC=CC=C1 021344 [0,0,0,0,1,0|2,0,1]=4 329 B9R1.6 O=C(Cl)C1=CC=CC=C1 097787 [0,0,0,0,1,0|2,0,1]=4 330 B9R1.6 O=C(Cl)C1=CC=CC=C1 102565 [0,0,0,0,1,0|2,0,1]=4 331 B9R1.6 O=C(O)C1=CC=CC=C1 102544 [0,0,0,0,1,0|2,0,1]=4 332 B9R1.6 O=C(O)C1=CC=CC=C1 237766 [0,0,0,0,1,0|2,0,1]=4 333 B9R1.6 O=C([O-])C1=CC=CC=C1 094455 [0,0,0,0,1,0|2,0,1]=4 334 B9R1.6 O=C([O-])C1=CC=CC=C1 095369 [0,0,0,0,1,0|2,0,1]=4 335 B9R1.6 O=C([O-])C1=CC=CC=C1 099144 [0,0,0,0,1,0|2,0,1]=4 336 B9R1.6 O=C([O-])C1=CC=CC=C1 239403 [0,0,0,0,1,0|2,0,1]=4 337 B9R1.6 O=S([O-])C1=CC=CC=C1 003814 [0,0,0,0,1,0|3,0,0]=4 338 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 094600 [0,0,0,0,1,0|3,0,0]=4 339 B9R1.6 O=[PH](O)C1=CC=CC=C1 003643 [0,0,0,0,1,0|3,0,0]=4 340 B9R1.6 O=[Se](O)C1=CC=CC=C1 005551 [0,0,0,0,1,0|3,0,0]=4 341 B9R1.6 OB(O)C1=CC=CC=C1 019491 [0,0,0,0,1,0|3,0,0]=4 342 B9R1.13 CC(C)CC1=NC=CS1 009620 [0,0,0,0,1,0|3,0,0]=4 343 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [0,0,0,0,0,1|0,0,2]=3 344 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [0,0,0,0,0,1|1,0,1]=3 345 B11R1.91 CC(=O)NCC1=CC=NC=C1 032566 [0,0,0,0,0,1|2,0,1]=4 346 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [0,0,0,0,0,1|1,0,2]=4 347 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [0,0,0,0,0,1|1,0,2]=4 348 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [0,0,0,0,0,1|1,0,0]=2 349 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [0,0,0,0,0,1|1,0,0]=2 350 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [0,0,0,0,0,1|1,0,0]=2 351 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [0,0,0,0,0,1|1,0,0]=2 352 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [0,0,0,0,0,1|3,0,0]=4 353 B11R1.91 N=C(N)COC1=CC=CC=C1 017231 [0,0,0,0,0,1|1,0,1]=3 354 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [0,0,0,0,0,1|1,0,1]=3 355 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [0,0,0,0,0,1|1,0,1]=3 356 B11R1.91 NC(=O)COC1=CC=CC=C1 001028 [0,0,0,0,0,1|1,0,1]=3 357 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [0,0,0,0,0,1|1,0,1]=3 358 B11R1.91 NC(=O)NCC1=CN=CC=C1 352454 [0,0,0,0,0,1|2,0,1]=4 359 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [0,0,0,0,0,1|1,0,1]=3 360 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [0,0,0,0,0,1|1,0,2]=4 361 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [0,0,0,0,0,1|1,0,1]=3 362 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [0,0,0,0,0,1|1,0,1]=3 363 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [0,0,0,0,0,1|2,0,1]=4 364 B11R1.91 O=C(Cl)COC1=CC=CC=C1 099217 [0,0,0,0,0,1|2,0,1]=4 365 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 106076 [0,0,0,0,0,1|2,0,1]=4 366 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M02865 [0,0,0,0,0,1|2,0,1]=4 367 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [0,0,0,0,0,1|2,0,1]=4 368 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [0,0,0,0,0,1|2,0,1]=4 369 B11R1.91 O=C(O)COC1=CC=CC=C1 222559 [0,0,0,0,0,1|2,0,1]=4 370 B11R1.91 O=C(O)CSC1=CC=CC=C1 001321 [0,0,0,0,0,1|2,0,1]=4 371 B8R1.2 BrCC1=CC=CC=C1 003666 [2,0,0,0,0,0|1,0,0]=3 372 B8R1.2 BrCC1=CC=CN=C1 214585 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 BrCC1=CC=NC=C1 067829 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 BrCC1=NC=CC=C1 067831 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.2 C#CC1=CC=CC=C1 003009 [2,0,0,0,0,0|0,0,2]=4 378 B8R1.2 C=CC1=CC=CC=C1 520455 [2,0,0,0,0,0|0,0,2]=4 379 B8R1.2 CCC1=CC=CC=C1 094632 [2,0,0,0,0,0|0,0,0]=2 380 B8R1.2 CCC1=CC=CC=N1 098941 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.2 CCC1=CC=CN=C1 242838 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.2 CCC1=CC=NC=C1 319885 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.2 CCC1=NC=CN=C1 002727 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 CC[N+]1=CC=CC=C1 046807 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.2 CNC1=CC=CC=C1 094625 [2,0,0,0,0,0|1,0,0]=3 386 B8R1.2 CNC1=CC=CN=C1 079398 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.2 CNC1=CC=NC=C1 208626 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.2 CNC1=NC=CC=C1 233304 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|1,0,0]=3 390 B8R1.2 COC1=CC=CN=C1 079847 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.2 COC1=CC=NC=C1 045194 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.2 COC1=NC=CC=C1 045214 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.2 CSC1=CC=CC=C1 002945 [2,0,0,0,0,0|1,0,0]=3 394 B8R1.2 ClCC1=CC=CC=C1 106800 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.2 ClCC1=CC=CC=N1 026180 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.2 ClCC1=CC=CN=C1 043884 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.2 ClCC1=CC=NC=C1 050512 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.2 N#CC1=CC=CC=C1 035786 [2,0,0,0,0,0|0,0,2]=4 401 B8R1.2 N#CC1=CC=CC=C1 102548 [2,0,0,0,0,0|0,0,2]=4 402 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|0,0,0]=2 403 B8R1.2 NCC1=CC=CC=C1 241882 [2,0,0,0,0,0|0,0,0]=2 404 B8R1.2 NCC1=CC=CN=C1 078185 [2,0,0,0,0,0|1,0,0]=3 405 B8R1.2 NCC1=CC=NC=C1 065475 [2,0,0,0,0,0|1,0,0]=3 406 B8R1.2 NCC1=CN=CC=N1 043597 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.2 NCC1=NC=CC=C1 009750 [2,0,0,0,0,0|1,0,0]=3 408 B8R1.2 NNC1=CC=CC=C1 079470 [2,0,0,0,0,0|1,0,0]=3 409 B8R1.2 NNC1=CC=CC=C1 098902 [2,0,0,0,0,0|1,0,0]=3 410 B8R1.2 NNC1=CN=CC=C1 044299 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.2 NNC1=NC=CC=C1 093675 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.2 O=NC1=CC=CC=C1 106182 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 OCC1=CC=CC=C1 094986 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.2 OCC1=CC=CC=C1 105725 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.2 OCC1=CC=CN=C1 208628 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 OCC1=CC=NC=C1 078602 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 OCC1=NC=CC=C1 043374 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.2 SCC1=CC=CC=C1 098994 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [2,0,0,0,0,0|1,0,1]=4 420 B8R1.2 [O-]CC1=CC=CC=C1 105697 [2,0,0,0,0,0|1,0,0]=3 421 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [1,1,0,0,0,0|0,0,2]=4 422 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [1,1,0,0,0,0|0,0,0]=2 426 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.1 CCOC1=NC=C(I)C=C1 363566 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.1 CCSC1=CC=C(Cl)C=C1 094917 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.1 CCSC1=CC=C(F)C=C1 094569 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.1 N#CCC1=CC=C(Br)C=C1 BR1112 [1,1,0,0,0,0|0,0,2]=4 443 B10R1.1 N#CCC1=CC=C(Cl)C=C1 079011 [1,1,0,0,0,0|0,0,2]=4 444 B10R1.1 N#CCC1=CC=C(F)C=C1 001189 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.1 N#CCC1=CC=C(I)C=C1 149501 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [1,1,0,0,0,0|0,0,0]=2 454 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.1 [NH3+]OCC1=CC=C(F)C=C1 010009 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,1,0,0,0,0|0,0,2]=4 463 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [1,1,0,0,0,0|0,0,0]=2 464 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.4 CC1=CC=CC=C1CCO 243106 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.4 CC1=CC=CN=C1CCO 032581 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.4 CCCC1=CC=NC=C1C 032545 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.4 CCNC1=C(F)C=CC=C1 017358 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.4 CCNC1=CC=CC=C1C 243028 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.4 CCOC1=CC=CC=C1O 216685 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.4 CCSC1=C(Cl)C=CC=C1 094570 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.4 CNCC1=CC=CC=C1F 077128 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.4 COCC1=CC=CC=C1Br 233857 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.4 N#CCC1=C(Br)C=CC=C1 001135 [1,1,0,0,0,0|0,0,2]=4 479 B10R1.4 N#CCC1=C(F)C=CC=C1 001187 [1,1,0,0,0,0|0,0,2]=4 480 B10R1.4 N#CCC1=CC=CC=C1Cl 225964 [1,1,0,0,0,0|0,0,2]=4 481 B10R1.4 N#CCC1=CC=CC=C1N 208802 [1,1,0,0,0,0|0,0,2]=4 482 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.4 NCCC1=CC=CC=C1Br 067221 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.4 NNCC1=C(F)C=CC=C1 070628 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.4 OCCC1=CC=CC=C1Br 210426 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.4 OCCC1=CC=CC=C1O 215704 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [1,1,0,0,0,0|0,0,2]=4 491 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.10 CC1=CC(CC#N)=CC=C1 092558 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [1,1,0,0,0,0|0,0,0]=2 495 B10R1.10 CCNC1=CC=CC(C)=C1 216666 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.10 CCSC1=CC(Br)=CC=C1 094879 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.10 CNCC1=CC=CC(F)=C1 077129 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.10 ClC1=CC=CC(CCBr)=C1 020894 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.10 N#CCC1=CC(Br)=CC=C1 001136 [1,1,0,0,0,0|0,0,2]=4 503 B10R1.10 N#CCC1=CC(F)=CC=C1 001188 [1,1,0,0,0,0|0,0,2]=4 504 B10R1.10 N#CCC1=CC=CC(Cl)=C1 078843 [1,1,0,0,0,0|0,0,2]=4 505 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [1,1,0,0,0,0|0,0,0]=2 506 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [1,1,0,0,0,0|0,0,0]=2 507 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [1,1,0,0,0,0|0,0,0]=2 508 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [1,1,0,0,0,0|0,0,0]=2 509 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.10 [NH3+]OCC1=CC(F)=CC=C1 010010 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.15 CC(C#N)C1=CC=CC=C1 001059 [1,1,0,0,0,0|0,0,2]=4 516 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [1,1,0,0,0,0|0,0,1]=3 518 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.15 CCC(=O)C1=CC=NC=C1 218389 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [1,1,0,0,0,0|0,0,0]=2 521 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [1,1,0,0,0,0|0,0,0]=2 522 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [1,1,0,0,0,0|0,0,0]=2 526 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.15 COS(=O)C1=CC=CC=C1 023251 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.15 N#CC(O)C1=CC=CC=C1 403371 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 324116 [1,1,0,0,0,0|0,0,2]=4 534 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.15 NCC(=O)C1=CC=CC=C1 040292 [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|0,0,0]=2 537 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.15 NNC(=O)C1=CC=CC=C1 227678 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.15 O=C(CBr)C1=CC=CC=C1 040508 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.15 O=C(CCl)C1=CC=CC=C1 228091 [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|1,0,1]=4 545 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.17 BrCCCC1=CC=CC=C1 113800 [1,1,0,0,0,0|0,0,0]=2 547 B10R1.17 BrCCOC1=CC=CC=C1 210427 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.17 BrCCSC1=CC=CC=C1 003535 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.17 C#CCCC1=CC=CC=C1 062967 [1,1,0,0,0,0|0,0,1]=3 550 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.17 C=CCCC1=CC=CC=C1 342184 [1,1,0,0,0,0|0,0,1]=3 552 B10R1.17 C=CCOC1=CC=CC=C1 242682 [1,1,0,0,0,0|0,0,2]=4 553 B10R1.17 C=CCSC1=CC=CC=C1 003665 [1,1,0,0,0,0|0,0,2]=4 554 B10R1.17 CCC#CC1=CC=CC=C1 103664 [1,1,0,0,0,0|0,0,1]=3 555 B10R1.17 CCCCC1=CC=CC=C1 240933 [1,1,0,0,0,0|0,0,0]=2 556 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.17 CCCNC1=CC=CC=C1 324115 [1,1,0,0,0,0|0,0,0]=2 558 B10R1.17 CCCSC1=CC=CC=C1 094618 [1,1,0,0,0,0|0,0,0]=2 559 B10R1.17 CCCSC1=NC=CC=C1 097642 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.17 CCNCC1=CC=CC=C1 239060 [1,1,0,0,0,0|0,0,0]=2 561 B10R1.17 CCNCC1=CC=CN=C1 046110 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.17 CCOCC1=CC=CC=C1 240434 [1,1,0,0,0,0|0,0,0]=2 563 B10R1.17 CCSCC1=CC=CC=C1 094637 [1,1,0,0,0,0|0,0,0]=2 564 B10R1.17 CNCCC1=CC=CC=C1 046956 [1,1,0,0,0,0|0,0,0]=2 565 B10R1.17 CNCCC1=NC=CC=C1 065480 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.17 ClCCCC1=CC=CC=C1 320132 [1,1,0,0,0,0|0,0,0]=2 567 B10R1.17 ClCCSC1=CC=CC=C1 003536 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.17 ClCOCC1=CC=CC=C1 106900 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.17 ICCOC1=CC=CC=C1 313818 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.17 N#CCCC1=CC=CC=C1 337065 [1,1,0,0,0,0|0,0,1]=3 571 B10R1.17 N#CCOC1=CC=CC=C1 239898 [1,1,0,0,0,0|0,0,2]=4 572 B10R1.17 N#CCSC1=CC=CC=C1 003773 [1,1,0,0,0,0|0,0,2]=4 573 B10R1.17 NCC#CC1=CC=CC=C1 050963 [1,1,0,0,0,0|0,0,1]=3 574 B10R1.17 NCCCC1=CC=CC=C1 008890 [1,1,0,0,0,0|0,0,0]=2 575 B10R1.17 NCCNC1=CC=CC=C1 320056 [1,1,0,0,0,0|0,0,0]=2 576 B10R1.17 NCCNC1=CC=NC=C1 033853 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.17 NCCOC1=CC=CC=C1 078737 [1,1,0,0,0,0|0,0,0]=2 578 B10R1.17 O=CCCC1=CC=CC=C1 237467 [1,1,0,0,0,0|0,0,1]=3 579 B10R1.17 O=COCC1=CC=CC=C1 240742 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.17 OCC#CC1=CC=CC=C1 166200 [1,1,0,0,0,0|0,0,2]=4 581 B10R1.17 OCCCC1=CC=CC=C1 241187 [1,1,0,0,0,0|0,0,0]=2 582 B10R1.17 OCCCC1=CC=CN=C1 032639 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.17 OCCCC1=CC=NC=C1 093367 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.17 OCCCC1=NC=CC=C1 234266 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.17 OCCNC1=CC=CC=C1 240954 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.17 OCCNC1=CC=NC=C1 034928 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.17 OCCNC1=NC=CC=C1 034929 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.17 OCCNC1=NC=CC=C1 061534 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.17 OCCOC1=CC=CC=C1 005091 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.17 OCCSC1=CC=CC=C1 003534 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [1,1,0,0,0,0|0,0,2]=4 592 B10R1.17 S=C=NCC1=CC=CC=C1 002504 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 342017 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.13 C=C(C)C1=CC=C(F)C=C1 002236 [0,1,0,0,1,0|1,0,1]=4 595 B10R1.13 C=C(C)C1=CC=C(O)C=C1 242991 [0,1,0,0,1,0|1,0,1]=4 596 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 002964 [0,1,0,0,1,0|1,0,1]=4 597 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [0,1,0,0,1,0|1,0,1]=4 598 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 003111 [0,1,0,0,1,0|1,0,1]=4 599 B10R1.13 CC(=O)C1=CC=C(F)C=C1 001621 [0,1,0,0,1,0|1,0,1]=4 600 B10R1.13 CC(=O)C1=CC=C(I)C=C1 003065 [0,1,0,0,1,0|1,0,1]=4 601 B10R1.13 CC(=O)C1=CC=C(I)C=C1 147401 [0,1,0,0,1,0|1,0,1]=4 602 B10R1.13 CC(=O)C1=CC=C(N)C=C1 009865 [0,1,0,0,1,0|1,0,1]=4 603 B10R1.13 CC(=O)C1=CC=C(O)C=C1 097596 [0,1,0,0,1,0|1,0,1]=4 604 B10R1.13 CC(C)C1=CC=C(Br)C=C1 005332 [0,1,0,0,1,0|1,0,0]=3 605 B10R1.13 CC(C)C1=CC=C(I)C=C1 037613 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.13 CC(C)C1=CC=C(N)C=C1 044718 [0,1,0,0,1,0|1,0,0]=3 607 B10R1.13 CC(C)C1=CC=C(N)C=N1 064855 [0,1,0,0,1,0|2,0,0]=4 608 B10R1.13 CC(C)C1=CC=C(O)C=C1 224632 [0,1,0,0,1,0|1,0,0]=3 609 B10R1.13 CC(C)C1=CC=C(S)C=C1 350400 [0,1,0,0,1,0|1,0,0]=3 610 B10R1.13 CC(C)C1=CN=C(N)C=C1 091535 [0,1,0,0,1,0|2,0,0]=4 611 B10R1.13 CC(N)C1=CC=C(Br)C=C1 001101 [0,1,0,0,1,0|0,0,0]=2 612 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 065422 [0,1,0,0,1,0|0,0,0]=2 613 B10R1.13 CC(O)C1=CC=C(Br)C=C1 001129 [0,1,0,0,1,0|1,0,0]=3 614 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 002971 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.13 CC(O)C1=CC=C(F)C=C1 001295 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.13 CC1=CC=C(C(=N)N)C=C1 017242 [0,1,0,0,1,0|1,0,1]=4 617 B10R1.13 CC1=CC=C(C(C)C)C=C1 048590 [0,1,0,0,1,0|1,0,0]=3 618 B10R1.13 CC1=CC=C(C(C)N)C=C1 075281 [0,1,0,0,1,0|0,0,0]=2 619 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [0,1,0,0,1,0|1,0,0]=3 620 B10R1.13 CC1=CC=C(C(C)O)C=N1 024704 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.13 CC1=CC=C(C(N)=O)C=C1 032746 [0,1,0,0,1,0|1,0,1]=4 622 B10R1.13 CC1=CC=C(C(N)=S)C=C1 021339 [0,1,0,0,1,0|1,0,1]=4 623 B10R1.13 CC1=CC=C(N(C)C)C=C1 013933 [0,1,0,0,1,0|2,0,0]=4 624 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 050080 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.13 CN(C)C1=CC=C(Br)C=C1 001369 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.13 CN(C)C1=CC=C(F)C=C1 008560 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.13 CN(C)C1=CC=C(N)C=C1 215686 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.13 CN(C)C1=CC=C(N)C=C1 463347 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.13 CN(C)C1=CC=C(O)C=C1 223309 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.13 CN(C)C1=CC=C(S)C=C1 023125 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 050269 [0,1,0,0,1,0|0,0,0]=2 632 B10R1.13 FC(F)C1=CC=C(Br)C=C1 023880 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 050225 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.13 FC1=CC=C(C(F)F)C=C1 024452 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 049070 [0,1,0,0,1,0|1,0,1]=4 636 B10R1.13 N=C(N)C1=CC=C(F)C=C1 061506 [0,1,0,0,1,0|1,0,1]=4 637 B10R1.13 N=C(N)C1=CC=C(N)C=C1 092316 [0,1,0,0,1,0|1,0,1]=4 638 B10R1.13 N=C(N)C1=CC=C(O)C=C1 023564 [0,1,0,0,1,0|1,0,1]=4 639 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 044652 [0,1,0,0,1,0|1,0,1]=4 640 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 240110 [0,1,0,0,1,0|1,0,1]=4 641 B10R1.13 NC(=O)C1=CC=C(F)C=C1 006181 [0,1,0,0,1,0|1,0,1]=4 642 B10R1.13 NC(=O)C1=CC=C(I)C=C1 235780 [0,1,0,0,1,0|1,0,1]=4 643 B10R1.13 NC(=O)C1=CC=C(N)C=C1 018168 [0,1,0,0,1,0|1,0,1]=4 644 B10R1.13 NC(=O)C1=CC=C(O)C=C1 002826 [0,1,0,0,1,0|1,0,1]=4 645 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 021311 [0,1,0,0,1,0|1,0,1]=4 646 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 021318 [0,1,0,0,1,0|1,0,1]=4 647 B10R1.13 NC(=S)C1=CC=C(F)C=C1 021324 [0,1,0,0,1,0|1,0,1]=4 648 B10R1.13 NC(=S)C1=CC=C(N)C=C1 021309 [0,1,0,0,1,0|1,0,1]=4 649 B10R1.13 NC(=S)C1=CC=C(O)C=C1 021328 [0,1,0,0,1,0|1,0,1]=4 650 B10R1.13 NC(=S)C1=CC=C(O)C=C1 097900 [0,1,0,0,1,0|1,0,1]=4 651 B10R1.28 CC(C)(C)C1=CC=CC=C1 094532 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.28 CC(C)(C)C1=CC=NC=C1 024692 [0,1,0,0,1,0|2,0,0]=4 653 B10R1.28 CC(C)(Cl)C1=CC=CC=C1 033938 [0,1,0,0,1,0|1,0,0]=3 654 B10R1.28 CC(C)(N)C1=CC=CC=C1 005015 [0,1,0,0,1,0|0,0,0]=2 655 B10R1.28 CC(C)(O)C1=CC=CC=C1 493347 [0,1,0,0,1,0|1,0,0]=3 656 B10R1.28 CC(C)(O)C1=CC=NC=C1 218299 [0,1,0,0,1,0|2,0,0]=4 657 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 001313 [0,1,0,0,1,0|2,0,0]=4 658 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 079257 [0,1,0,0,1,0|2,0,0]=4 659 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 222395 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 S13375 [0,1,0,0,1,0|1,1,0]=4 661 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 242868 [0,1,0,0,1,0|2,0,0]=4 662 B10R1.28 FC(F)(F)C1=CC=CC=C1 004060 [0,1,0,0,1,0|2,0,0]=4 663 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 093324 [0,1,0,0,1,0|2,0,0]=4 664 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 035873 [0,1,0,0,1,0|1,0,1]=4 665 B10R1.61 CC(=O)C1=C(F)C=CC=C1 001616 [0,1,0,0,1,0|1,0,1]=4 666 B10R1.61 CC(=O)C1=CC=CC=C1Cl 003397 [0,1,0,0,1,0|1,0,1]=4 667 B10R1.61 CC(=O)C1=CC=CC=C1I 075032 [0,1,0,0,1,0|1,0,1]=4 668 B10R1.61 CC(=O)C1=CC=CC=C1N 076856 [0,1,0,0,1,0|1,0,1]=4 669 B10R1.61 CC(=O)C1=CC=CC=C1O 078584 [0,1,0,0,1,0|1,0,1]=4 670 B10R1.61 CC(C)C1=C(Br)C=CC=C1 009741 [0,1,0,0,1,0|1,0,0]=3 671 B10R1.61 CC(C)C1=C(I)C=CC=C1 001198 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.61 CC(C)C1=C(N)C=CC=C1 033911 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.61 CC(C)C1=CC=CC=C1O 208839 [0,1,0,0,1,0|1,0,0]=3 674 B10R1.61 CC(C)C1=CC=CC=C1S 023120 [0,1,0,0,1,0|1,0,0]=3 675 B10R1.61 CC(O)C1=C(Br)C=CC=C1 094463 [0,1,0,0,1,0|1,0,0]=3 676 B10R1.61 CC(O)C1=C(F)C=CC=C1 006337 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.61 CC(O)C1=C(F)N=CC=C1 529891 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.61 CC1=C(C(N)=O)C=CC=C1 341826 [0,1,0,0,1,0|1,0,1]=4 679 B10R1.61 CC1=C(C(N)=S)C=CC=C1 021341 [0,1,0,0,1,0|1,0,1]=4 680 B10R1.61 CC1=C(C(N)=S)C=CC=C1 097832 [0,1,0,0,1,0|1,0,1]=4 681 B10R1.61 CN(C)C1=CC=CC=C1Br 215675 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.61 CN(C)C1=CC=CC=C1N 079293 [0,1,0,0,1,0|2,0,0]=4 683 B10R1.61 FC(F)C1=C(Br)C=CC=C1 023878 [0,1,0,0,1,0|2,0,0]=4 684 B10R1.61 FC(F)C1=C(Cl)C=CC=C1 102489 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.61 FC1=C(C(F)F)C=CC=C1 023923 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.61 FC1=CC=CC=C1C(Cl)Cl 009190 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 001052 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.61 NC(=O)C1=C(F)C=CC=C1 002696 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.61 NC(=O)C1=C(N)C=CC=C1 018166 [0,1,0,0,1,0|1,0,1]=4 690 B10R1.61 NC(=O)C1=CC=CC=C1Cl 018355 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.61 NC(=O)C1=CC=CC=C1I 242099 [0,1,0,0,1,0|1,0,1]=4 692 B10R1.61 NC(=O)C1=CC=CC=C1O 091532 [0,1,0,0,1,0|1,0,1]=4 693 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 021313 [0,1,0,0,1,0|1,0,1]=4 694 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 021317 [0,1,0,0,1,0|1,0,1]=4 695 B10R1.61 NC(=S)C1=C(N)C=CC=C1 021307 [0,1,0,0,1,0|1,0,1]=4 696 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 008816 [0,1,0,0,1,0|1,0,1]=4 697 B10R1.113 CC(=O)C1=CC(C)=CC=C1 349312 [0,1,0,0,1,0|1,0,1]=4 698 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 024871 [0,1,0,0,1,0|1,0,1]=4 699 B10R1.113 CC(=O)C1=CC(F)=CC=C1 001467 [0,1,0,0,1,0|1,0,1]=4 700 B10R1.113 CC(=O)C1=CC(I)=CC=C1 147400 [0,1,0,0,1,0|1,0,1]=4 701 B10R1.113 CC(=O)C1=CC(N)=CC=C1 001722 [0,1,0,0,1,0|1,0,1]=4 702 B10R1.113 CC(=O)C1=CC=CC(O)=C1 078748 [0,1,0,0,1,0|1,0,1]=4 703 B10R1.113 CC(C)C1=CC(Br)=CC=C1 024856 [0,1,0,0,1,0|1,0,0]=3 704 B10R1.113 CC(C)C1=CC(I)=CC=C1 037580 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.113 CC(C)C1=CC(N)=CC=C1 075293 [0,1,0,0,1,0|1,0,0]=3 706 B10R1.113 CC(C)C1=CC=CC(O)=C1 099128 [0,1,0,0,1,0|1,0,0]=3 707 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 035904 [0,1,0,0,1,0|0,0,0]=2 708 B10R1.113 CC(O)C1=CC(Br)=CC=C1 003550 [0,1,0,0,1,0|1,0,0]=3 709 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 353644 [0,1,0,0,1,0|1,0,0]=3 710 B10R1.113 CC(O)C1=CC(F)=CC=C1 006338 [0,1,0,0,1,0|1,0,0]=3 711 B10R1.113 CC(O)C1=NC(Br)=CC=C1 217816 [0,1,0,0,1,0|2,0,0]=4 712 B10R1.113 CC1=CC(C(N)=O)=CC=C1 324085 [0,1,0,0,1,0|1,0,1]=4 713 B10R1.113 CC1=CC(N(C)C)=CC=C1 242206 [0,1,0,0,1,0|2,0,0]=4 714 B10R1.113 CC1=CC=CC(C(C)O)=C1 033735 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.113 CC1=CC=CC(C(N)=S)=C1 021340 [0,1,0,0,1,0|1,0,1]=4 716 B10R1.113 CC1=CC=CC(C(N)=S)=C1 097831 [0,1,0,0,1,0|1,0,1]=4 717 B10R1.113 CN(C)C1=CC(O)=CC=C1 080296 [0,1,0,0,1,0|2,0,0]=4 718 B10R1.113 CN(C)C1=CC=CC(Br)=C1 091972 [0,1,0,0,1,0|2,0,0]=4 719 B10R1.113 CN(C)C1=CC=CC(N)=C1 223097 [0,1,0,0,1,0|2,0,0]=4 720 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 468749 [0,1,0,0,1,0|0,0,0]=2 721 B10R1.113 FC(F)C1=CC=CC(Br)=C1 024453 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.113 FC(F)C1=CC=CC(Cl)=C1 098488 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.113 FC1=CC(C(F)F)=CC=C1 023921 [0,1,0,0,1,0|2,0,0]=4 724 B10R1.113 FC1=CC=CC(C(Cl)Cl)=C1 009191 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.113 N=C(N)C1=CC(N)=CC=C1 540016 [0,1,0,0,1,0|1,0,1]=4 726 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 036153 [0,1,0,0,1,0|1,0,1]=4 727 B10R1.113 NC(=O)C1=CC(F)=CC=C1 006180 [0,1,0,0,1,0|1,0,1]=4 728 B10R1.113 NC(=O)C1=CC(I)=CC=C1 036159 [0,1,0,0,1,0|1,0,1]=4 729 B10R1.113 NC(=O)C1=CC(N)=CC=C1 018167 [0,1,0,0,1,0|1,0,1]=4 730 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 018356 [0,1,0,0,1,0|1,0,1]=4 731 B10R1.113 NC(=S)C1=CC(Br)=CC=C1 021312 [0,1,0,0,1,0|1,0,1]=4 732 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 021322 [0,1,0,0,1,0|1,0,1]=4 733 B10R1.113 NC(=S)C1=CC(F)=CC=C1 021325 [0,1,0,0,1,0|1,0,1]=4 734 B10R1.113 NC(=S)C1=CC(N)=CC=C1 021308 [0,1,0,0,1,0|1,0,1]=4 735 B10R1.113 NC1=CC=CC(C(F)F)=C1 217681 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.54 CC1=CC(CC(C)N)=NN1 032190 [0,1,0,0,1,0|2,0,0]=4 737 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [0,1,0,0,0,1|1,0,1]=4 738 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [0,1,0,0,0,1|1,0,1]=4 739 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [0,1,0,0,0,1|1,0,1]=4 740 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [0,1,0,0,0,1|1,0,1]=4 741 B12R1.21 CC(C)COC1=CC=C(N)C=C1 038448 [0,1,0,0,0,1|1,0,0]=3 742 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 018822 [0,1,0,0,0,1|1,0,1]=4 743 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 106072 [0,1,0,0,0,1|1,0,1]=4 744 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 008895 [0,1,0,0,0,1|2,0,0]=4 745 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 239138 [0,1,0,0,0,1|2,0,0]=4 746 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [0,1,0,0,0,1|1,0,1]=4 747 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 106325 [0,1,0,0,0,1|1,0,1]=4 748 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 106307 [0,1,0,0,0,1|1,0,1]=4 749 B12R1.21 NC(=S)NCC1=CC=C(Cl)C=C1 018363 [0,1,0,0,0,1|1,0,1]=4 750 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [0,1,0,0,0,1|1,0,1]=4 751 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [0,1,0,0,0,1|1,0,1]=4 752 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [0,1,0,0,0,1|1,0,1]=4 753 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [0,1,0,0,0,1|1,0,1]=4 754 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [0,1,0,0,0,1|1,0,1]=4 755 B12R1.27 NCC(=O)OCC1=CC=CC=C1 038264 [0,1,0,0,0,1|1,0,1]=4 756 B12R1.27 NCC(=O)OCC1=CC=CC=C1 M03020 [0,1,0,0,0,1|1,0,1]=4 757 B12R1.27 NCC(O)COC1=CC=CC=C1 471059 [0,1,0,0,0,1|1,0,0]=3 758 B12R1.27 NNC(=O)OCC1=CC=CC=C1 018210 [0,1,0,0,0,1|1,0,1]=4 759 B12R1.27 NNC(=S)NCC1=CC=CC=C1 018233 [0,1,0,0,0,1|1,0,1]=4 760 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 080332 [0,1,0,0,0,1|1,0,1]=4 761 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 057933 [0,1,0,0,0,1|1,0,1]=4 762 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 320035 [0,1,0,0,0,1|1,0,1]=4 763 B12R1.27 O=C(CO)OCC1=CC=CC=C1 243220 [0,1,0,0,0,1|1,0,1]=4 764 B12R1.27 OCC(O)COC1=CC=CC=C1 001784 [0,1,0,0,0,1|1,0,0]=3 765 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 095425 [0,1,0,0,0,1|2,0,0]=4 766 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [0,1,0,0,0,1|1,0,1]=4 767 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [0,1,0,0,0,1|1,0,1]=4 768 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [0,1,0,0,0,1|1,0,1]=4 769 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [0,1,0,0,0,1|1,0,1]=4 770 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 229777 [0,1,0,0,0,1|1,0,0]=3 771 B12R1.107 CC(C)CC(C)C1=NC=CC=C1 032553 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 209348 [0,1,0,0,0,1|1,0,1]=4 773 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 185695 [0,1,0,0,0,1|0,0,2]=4 774 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 105772 [0,1,0,0,0,1|1,0,1]=4 775 B12R1.125 NC(=O)COC1=C(Br)C=CC=C1 106163 [0,1,0,0,0,1|1,0,1]=4 776 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [0,1,0,0,0,1|1,0,1]=4 777 B12R1.125 NC(=O)COC1=C(F)C=CC=C1 105773 [0,1,0,0,0,1|1,0,1]=4 778 B12R1.226 CC1=CC(OCC(N)=O)=CC=C1 106075 [0,1,0,0,0,1|1,0,1]=4 779 B12R1.226 N=C(N)COC1=CC(Cl)=CC=C1 061473 [0,1,0,0,0,1|1,0,1]=4 780 B12R1.226 NC(=O)COC1=CC(Br)=CC=C1 069821 [0,1,0,0,0,1|1,0,1]=4 781 B12R1.226 NC(=O)COC1=CC(Cl)=CC=C1 403355 [0,1,0,0,0,1|1,0,1]=4 782 B12R1.226 NC(=O)COC1=CC(F)=CC=C1 106305 [0,1,0,0,0,1|1,0,1]=4 783 B12R1.891 CC(C)(C)SCC1=CC=CC=C1 102454 [0,1,0,0,0,1|1,0,0]=3 784 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 007713 [0,1,0,0,0,1|2,0,0]=4 785 B12R1.891 FC(F)(F)CSC1=CC=CC=C1 094714 [0,1,0,0,0,1|2,0,0]=4 786 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 014193 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 023446 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.4 CC(C)OC1=CC=C(CO)C=C1 303185 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 003622 [0,2,0,0,0,0|1,0,1]=4 790 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 040242 [0,2,0,0,0,0|1,0,1]=4 791 B12R1.4 COC1=CC=C(SC(C)C)C=C1 097693 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.19 CC(C)OC1=CC(F)=C(Cl)C=C1 094398 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.19 CC(C)OC1=CC=C(Br)C(F)=C1 227656 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 104322 [0,2,0,0,0,0|1,0,1]=4 795 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 511321 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.49 CC1=CC=C(C\C(N)=N\O)C=C1 098049 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 314877 [0,2,0,0,0,0|1,0,1]=4 798 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 043034 [0,2,0,0,0,0|1,0,1]=4 799 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 094941 [0,2,0,0,0,0|1,0,1]=4 800 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 092183 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 032725 [0,2,0,0,0,0|1,0,1]=4 802 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 038714 [0,2,0,0,0,0|1,0,1]=4 803 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 023575 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 037384 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O 011107 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O 098048 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 401634 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.106 CC(C)(C)OC1=CC=C(N)C=C1 209401 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.106 CC(C)(C)OC1=CC=C(O)C=C1 013127 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.106 CC1=CC=C(CC(F)(F)F)C=C1 094943 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.106 CS(=O)(=O)CC1=CC=C(Br)C=C1 024347 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.106 FC(F)(F)CC1=CC=C(Br)C=C1 036127 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.106 FC(F)(F)CC1=CC=C(Cl)C=C1 099288 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.106 FC(F)(F)CC1=CC=C(I)C=C1 095071 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.106 FC1=CC=C(CC(F)(F)F)C=C1 037198 [0,2,0,0,0,0|2,0,0]=4 816 B12R1.106 NC1=CC=C(CC(F)(F)F)C=C1 324481 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.106 NS(=O)(=O)CC1=CC=C(Br)C=C1 044464 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 400163 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.233 CC(C)OC1=C(Br)C=C(F)C=C1 013243 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.233 CC1=CC(Br)=CC=C1OC(C)C 038827 [0,2,0,0,0,0|2,0,0]=4 821 B12R1.233 CC1=CC(N)=C(OC(C)C)C=C1 036189 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.233 CC1=CC(N)=C(OC(C)C)C=C1 105078 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.233 NC(=O)CC1=C(Cl)C=C(Cl)C=C1 104920 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.233 NC(=O)CC1=C(F)C=C(Br)C=C1 103251 [0,2,0,0,0,0|1,0,1]=4 825 B12R1.233 NC(=O)CC1=C(F)C=C(F)C=C1 102447 [0,2,0,0,0,0|1,0,1]=4 826 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 066747 [0,2,0,0,0,0|1,0,1]=4 827 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 246440 [0,2,0,0,0,0|1,0,1]=4 828 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 180737 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 375328 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 342262 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 222157 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 093736 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 078970 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 078724 [0,2,0,0,0,0|1,0,1]=4 835 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 018766 [0,2,0,0,0,0|1,0,1]=4 836 B12R1.253 CC(C)(C(N)=O)C1=CC=CC=C1 356494 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 034725 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 341735 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 011099 [0,2,0,0,0,0|1,0,1]=4 840 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 078663 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 224641 [0,2,0,0,0,0|1,0,1]=4 842 B12R1.564 CC(C1=CC=CC=C1)C(F)(F)F 101674 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.564 FC(F)(F)C(Br)C1=CC=CC=C1 070291 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 044275 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 093854 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F 044273 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F 093855 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F 044274 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F 093856 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 002360 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F 245891 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.32 CN(CCN)CC1=CC=CC=C1 033861 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.32 CN(CCO)CC1=CC=CC=C1 214692 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 043036 [0,2,0,0,0,0|1,0,1]=4 855 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 079676 [0,2,0,0,0,0|1,0,1]=4 856 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 239817 [0,2,0,0,0,0|1,0,1]=4 857 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 240144 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 209392 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 219776 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 209399 [0,2,0,0,0,0|0,0,0]=2 861 B12R1.118 COC(CC1=CC=CC=C1)OC 103319 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.371 CNC(=O)CC1=C(C)C=CC=C1 102549 [0,2,0,0,0,0|1,0,1]=4 863 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 043033 [0,2,0,0,0,0|1,0,1]=4 864 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 097777 [0,2,0,0,0,0|1,0,1]=4 865 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 043032 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.371 COC(=O)CC1=CC=CC=C1Cl 223690 [0,2,0,0,0,0|1,0,1]=4 867 B12R1.371 COC(=O)CC1=CC=CC=C1O 234007 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 014203 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 023444 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.75 COC1=C(CC(C)O)C=CC=C1 103322 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.127 CC(C)OC1=CC(F)=CC=C1Br 318140 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.127 CC(C)OC1=CC(F)=CC=C1N 210590 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.127 CC(C)SC1=C(Cl)C=CC(Cl)=C1 095055 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.151 CC1=C(CC(F)(F)F)C=CC=C1 037199 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.151 CS(=O)(=O)CC1=C(Br)C=CC=C1 024351 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.151 CS(=O)(=O)CC1=C(F)C=CC=C1 024345 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.151 FC(F)(F)CC1=C(Br)C=CC=C1 035837 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.151 FC(F)(F)CC1=C(Cl)C=CC=C1 099256 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.151 FC1=C(CC(F)(F)F)C=CC=C1 037197 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.151 NS(=O)(=O)CC1=CC=CC=C1F 044644 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.224 CC(C)OC1=CC=CC(Cl)=C1F 097780 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.1009 CC(C)OC1=C(Cl)C=CC=C1F 097724 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.101 CC(C)OC1=CC(F)=CC(F)=C1 098587 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.119 CS(=O)(=O)CC1=CC(Br)=CC=C1 024348 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.119 FC(F)(F)CC1=CC=CC(Br)=C1 036126 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.119 FC1=CC=CC(CC(F)(F)F)=C1 037196 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.119 NS(=O)(=O)CC1=CC(Br)=CC=C1 044462 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.438 CC(C)OC1=CC=CC(CN)=C1 023445 [0,2,0,0,0,0|2,0,0]=4 889 B10R2.6 C1=CC=C(C2CC2)C=C1 049412 [1,0,0,1,0,0|0,0,0]=2 890 B10R2.6 C1=CC=C(C2CO2)C=C1 227689 [1,0,0,1,0,0|1,0,0]=3 891 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 221507 [1,0,0,1,0,0|1,0,0]=3 892 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 223292 [1,0,0,1,0,0|1,0,0]=3 893 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,1,0,0|0,0,2]=4 894 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [1,0,0,1,0,0|0,0,0]=2 895 B10R2.7 C1=CC2=C(C=C1)NN=C2 044571 [1,0,0,1,0,0|1,0,1]=4 896 B10R2.7 C1=CC=C2CNCC2=C1 041927 [1,0,0,1,0,0|1,0,0]=3 897 B10R2.7 C1=CC=C2NC=CC2=C1 068792 [1,0,0,1,0,0|0,0,2]=4 898 B10R2.7 C1=CC=C2NC=NC2=C1 235007 [1,0,0,1,0,0|1,0,1]=4 899 B10R2.7 C1=CC=C2NCCC2=C1 068790 [1,0,0,1,0,0|0,0,0]=2 900 B10R2.7 C1=CC=C2NN=NC2=C1 003815 [1,0,0,1,0,0|2,0,0]=4 901 B10R2.7 C1=CC=C2OCCC2=C1 017117 [1,0,0,1,0,0|1,0,0]=3 902 B10R2.7 C1=CC=C2OCOC2=C1 022089 [1,0,0,1,0,0|2,0,0]=4 903 B10R2.7 C1=CN=C2CCCC2=C1 075302 [1,0,0,1,0,0|1,0,0]=3 904 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [0,0,0,1,0,1|1,0,1]=4 905 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [0,0,0,1,0,1|1,0,1]=4 906 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [0,0,0,1,0,1|1,0,1]=4 907 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [0,0,0,1,0,1|1,0,1]=4 908 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [0,0,0,1,0,1|1,0,1]=4 909 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 003620 [0,0,0,1,0,1|2,0,0]=4 910 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 023432 [0,1,0,1,0,0|0,0,2]=4 911 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 218358 [0,1,0,1,0,0|1,0,1]=4 912 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 076758 [0,1,0,1,0,0|1,0,1]=4 913 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 209032 [0,1,0,1,0,0|1,0,1]=4 914 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 024250 [0,1,0,1,0,0|1,0,1]=4 915 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [0,1,0,1,0,0|0,0,2]=4 916 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [0,1,0,1,0,0|0,0,2]=4 917 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 030161 [0,1,0,1,0,0|1,0,1]=4 918 B12R2.18 CN1CC2=CC=CC=C2C1N 102477 [0,1,0,1,0,0|1,0,0]=3 919 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 012694 [0,1,0,1,0,0|1,0,0]=3 920 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O 012689 [0,1,0,1,0,0|1,0,0]=3 921 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O 012693 [0,1,0,1,0,0|1,0,0]=3 922 B12R2.18 OC1C2=CC=CC=C2CC1Br 003061 [0,1,0,1,0,0|1,0,0]=3 923 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 204011 [0,1,0,1,0,0|1,0,1]=4 924 B12R2.32 CSC1=NC2=CC=CC=C2N1 023331 [0,1,0,1,0,0|1,0,1]=4 925 B12R2.32 ClCC1=NC2=CC=CC=C2N1 010651 [0,1,0,1,0,0|1,0,1]=4 926 B12R2.32 NCC1=NC2=CC=CC=C2N1 077977 [0,1,0,1,0,0|1,0,1]=4 927 B12R2.32 NCC1=NC2=CC=CC=C2N1 078249 [0,1,0,1,0,0|1,0,1]=4 928 B12R2.32 OCC1=NC2=CC=CC=C2N1 010653 [0,1,0,1,0,0|1,0,1]=4 929 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 098928 [0,1,0,1,0,0|0,0,2]=4 930 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 033397 [0,1,0,1,0,0|1,0,0]=3 931 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 016126 [0,1,0,1,0,0|1,0,1]=4 932 B8R1.8 CCCC1=CC=CS1 003676 [1,0,0,0,1,0|1,0,0]=3 933 B8R1.8 CNCC1=CC=CO1 226183 [1,0,0,0,1,0|2,0,0]=4 934 B8R1.8 CNCC1=CC=CS1 065484 [1,0,0,0,1,0|2,0,0]=4 935 B8R1.8 ClCCN1C=CC=C1 046765 [1,0,0,0,1,0|2,0,0]=4 936 B8R1.8 NCCC1=CC=CS1 021380 [1,0,0,0,1,0|1,0,0]=3 937 B8R1.8 NCCC1=CNC=N1 068673 [1,0,0,0,1,0|2,0,0]=4 938 B8R1.8 NCCC1=CNC=N1 078943 [1,0,0,0,1,0|2,0,0]=4 939 B8R1.8 OCCC1=CC=CS1 208753 [1,0,0,0,1,0|2,0,0]=4 940 B8R1.8 OCCC1=CSC=C1 076012 [1,0,0,0,1,0|2,0,0]=4 941 B8R1.7 CC(N)C1=CC=CS1 044441 [0,0,0,0,2,0|1,0,0]=3 942 B12R1.252 CC(=O)COCC1=CC=CC=C1 222790 [0,0,0,0,0,2|1,0,1]=4 943 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [0,0,0,0,0,2|1,0,1]=4 944 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 242318 [0,0,0,0,0,2|1,0,0]=3 945 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 242317 [0,0,0,0,0,2|1,0,0]=3 946 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [0,0,0,0,0,2|1,0,1]=4 947 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [0,0,0,0,0,2|1,0,1]=4 948 B12R1.252 NC(=S)NCCC1=CC=CC=C1 010668 [0,0,0,0,0,2|1,0,1]=4