0 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 N#CC(N)c1ccccc1 28208 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.15 NNC(=O)C1=CN=CN=C1 25061 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 O=C(CBr)C1=NC=CN=C1 21375 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,0,0,0,0,0|1,0,2]=3 41 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,0,0,0,0,0|1,0,2]=3 42 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,0,0,0,0,0|1,0,2]=3 43 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.6 CN(C)C1=CC=NC=C1 2377 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,0,0|0,0,2]=3 62 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,0,0|0,0,2]=3 66 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,0,0|1,1,0]=3 74 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,0,0|1,1,0]=3 75 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|0,0,3]=4 98 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|0,0,1]=2 100 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|1,0,1]=3 101 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,1]=3 109 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 15333 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 10864 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 22730 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 10047 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 10826 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.12 CCB(CC)C1=CC=CN=C1 28152 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.12 CCN(CC)c1ccccc1 18261 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [0,1,0,0,0,0|0,0,1]=2 134 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,1,0,0,0,0|1,0,2]=4 135 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.16 CCOC(=O)C1=CC=NC=C1 11139 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.16 CCOC(=O)C1=CC=NC=C1 11733 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.16 CCOC(=O)C1=CN=CC=C1 11727 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.16 CCOC(=O)C1=NC=CC=C1 11659 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.16 CCOC(=O)C1=NC=NC=C1 20807 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [0,1,0,0,0,0|0,0,1]=2 144 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [0,1,0,0,0,0|0,0,1]=2 145 B11R1.16 N#CCC(=O)C1=CC=CN=C1 12106 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.16 N#CCC(=O)C1=CC=NC=C1 12108 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.16 N#CCC(=O)C1=NC=CC=C1 12085 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 7571 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 7575 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,1,0,0,0,0|0,0,2]=3 159 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,1,0,0,0,0|0,0,2]=3 160 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,1,0,0,0,0|0,0,2]=3 161 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,1,0,0,0,0|0,0,0]=1 171 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.22 COC(=O)C1=CC=C(C)N=N1 18664 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 36193 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 14326 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 27820 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.22 COC(=O)C1=CN=C(C)C=C1 13718 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.22 COC(=O)C1=CN=C(C)N=C1 21597 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 13584 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 9777 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.22 COC(=O)C1=CN=C(F)C=C1 10629 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.22 COC(=O)C1=CN=C(N)C=C1 2418 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.22 COC(=O)C1=CN=C(N)N=C1 27978 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.22 COC(=O)C1=CNC(=O)N=C1 34673 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 21032 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 21394 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.22 COC(=O)C1=NC=C(N)N=C1 32171 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.22 COC(=O)C1=NC=C(O)N=C1 9107 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.22 COC(=O)C1=NNC(=O)C=C1 19275 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 3743 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 3622 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 3483 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 18551 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 28432 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 35120 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 19020 [0,1,0,0,0,0|0,0,0]=1 229 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 3083 [0,1,0,0,0,0|0,0,0]=1 230 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 28263 [0,1,0,0,0,0|0,0,0]=1 231 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 25952 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.23 CNC(=O)C1=CC(Br)=NC=C1 9637 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 14198 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 14985 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.23 COC(=O)C1=CC(=O)NC=C1 23888 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.23 COC(=O)C1=CC(=O)NC=N1 23276 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 3961 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 15172 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 36244 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 4067 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.23 COC(=O)C1=CC(F)=CC=C1 25450 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.23 COC(=O)C1=CC(F)=NC=C1 13579 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.23 COC(=O)C1=CC(I)=CC=C1 28675 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.23 COC(=O)C1=CC(I)=NC=C1 26906 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.23 COC(=O)C1=CC(N)=CC=C1 16709 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.23 COC(=O)C1=CC(N)=NC=C1 33513 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.23 COC(=O)C1=CC(N)=NC=C1 4069 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.23 COC(=O)C1=CC(O)=CC=C1 12550 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.23 COC(=O)C1=CC(S)=CC=C1 20230 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.23 COC(=O)C1=CC=CC(C)=C1 15491 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 22051 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.23 COC(=O)C1=CN=CC(C)=C1 27511 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 7573 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 27818 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 34380 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.23 COC(=O)C1=NC(C)=CC=C1 20955 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.23 COC(=O)C1=NC(C)=CN=C1 32142 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 13587 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 16685 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 26242 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.23 COC(=O)C1=NC(F)=CC=C1 13582 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.23 COC(=O)C1=NC(I)=CC=C1 9291 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.23 COC(=O)C1=NC(N)=CC=C1 18281 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.23 COC(=O)C1=NC(N)=CN=C1 19897 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 12733 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9224 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9577 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.23 COC(=O)C1=NC=CC(I)=C1 25750 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.23 COC(=O)C1=NC=CC(N)=C1 26057 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 23630 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.23 NCC(=O)c1cccc(Br)c1 31219 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 3621 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 3482 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.23 NNC(=O)C1=CC(N)=NC=C1 16606 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.23 NNC(=O)C1=NC(I)=CC=C1 16532 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 26936 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.23 N\C(=N/O)C1=CC(Cl)=CC=C1 23438 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 29255 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 29257 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 13417 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 16446 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 3370 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.23 O=C(CCl)C1=CC(O)=CC=C1 16445 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 10937 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 12315 [0,1,0,0,0,0|1,0,1]=3 290 B11R1.23 O=CC(=O)C1=CC(Cl)=CC=C1 12320 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,1,0,0,0,0|1,0,2]=4 293 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,1,0,0,0,0|0,0,0]=1 295 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.36 O=C(C1=NC=CC=C1)C(F)F 25018 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [0,1,0,0,0,0|0,0,0]=1 299 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [0,1,0,0,0,0|0,0,0]=1 300 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,1,0,0,0,0|0,0,2]=3 302 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 15000 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [0,1,0,0,0,0|1,0,0]=2 304 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 17290 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.222 COC(=O)C1=C(C)N=CC=C1 2218 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 3707 [0,1,0,0,0,0|1,0,0]=2 307 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 15917 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.222 COC(=O)C1=C(F)C=CC=C1 3565 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.222 COC(=O)C1=C(F)N=CC=C1 10628 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.222 COC(=O)C1=C(I)C=CC=C1 10568 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9599 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.222 COC(=O)C1=C(N)C=NC=C1 9760 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.222 COC(=O)C1=C(N)N=CC=C1 16778 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.222 COC(=O)C1=CC=CC=C1C 15492 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.222 COC(=O)C1=CC=CC=C1N 13629 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.222 COC(=O)C1=CC=CC=C1S 10565 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.222 COC(=O)C1=CC=CN=C1Br 14383 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.222 COC(=O)C1=CC=CNC1=O 19579 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.222 COC(=O)C1=CN=CC=C1C 21351 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.222 COC(=O)C1=CN=CC=C1N 25347 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.222 COC(=O)C1=CN=CN=C1O 21479 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.222 COC(=O)C1=NC=CC=C1Cl 32244 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.222 COC(=O)C1=NC=CC=C1O 25563 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.222 COC(=O)C1=NC=CN=C1Br 32147 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.222 COC(=O)C1=NC=CN=C1Cl 32119 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.222 COC(=O)C1=NC=CN=C1I 32125 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.222 COC(=O)C1=NC=CN=C1N 8549 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.222 NC1=C(C(=O)CBr)C=CC=C1 29244 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,1,0,0,0,0|1,0,2]=4 332 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 3742 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 3481 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.222 NNC(=O)C1=CC=CC=C1O 22912 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 16835 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.222 O=C(CBr)c1ccccc1Cl 11080 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.222 O=CC(=O)C1=CC=CCC1=S 12133 [0,1,0,0,0,0|1,0,2]=4 339 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,1,0,0,0,0|1,0,2]=4 340 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [0,0,0,1,0,0|2,0,1]=4 341 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [0,0,0,1,0,0|2,0,1]=4 342 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [0,0,0,1,0,0|2,0,1]=4 343 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [0,0,0,1,0,0|3,0,0]=4 344 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,0,0,1,0,0|1,0,1]=3 345 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,0,0,1,0,0|2,0,1]=4 346 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,0,0,1,0,0|2,0,1]=4 347 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,0,0,1,0,0|3,0,0]=4 348 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,0,1,0,0|2,0,1]=4 349 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [0,0,0,1,0,0|2,0,1]=4 350 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [0,0,0,1,0,0|3,0,0]=4 351 B11R2.1 ClC1=NSC2=C1C=CC=C2 22324 [0,0,0,1,0,0|3,0,0]=4 352 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [0,0,0,1,0,0|3,0,0]=4 353 B11R2.1 NC1=NCc2ccccc21 31698 [0,0,0,1,0,0|2,0,0]=3 354 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [0,0,0,1,0,0|3,0,0]=4 355 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [0,0,0,1,0,0|3,0,0]=4 356 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,0,1,0,0|1,0,1]=3 357 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,0,1,0,0|1,0,1]=3 358 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,0,1,0,0|1,0,1]=3 359 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,0,1,0,0|1,0,1]=3 360 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,0,0,1,0,0|0,0,0]=1 361 B11R2.1 O=C1CCc2ncccc21 26187 [0,0,0,1,0,0|1,0,0]=2 362 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,0,0,1,0,0|1,0,0]=2 363 B11R2.1 O=C1COC2=C1C=NC=C2 24176 [0,0,0,1,0,0|2,0,0]=3 364 B11R2.1 O=C1COC2=CN=CC=C12 24154 [0,0,0,1,0,0|2,0,0]=3 365 B11R2.1 O=C1COC2=NC=CC=C12 24153 [0,0,0,1,0,0|2,0,0]=3 366 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,0,0,1,0,0|1,0,0]=2 367 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [0,0,0,1,0,0|1,0,0]=2 368 B11R2.1 O=C1NN=C2C=CC=CN12 9282 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [0,0,0,1,0,0|2,0,0]=3 370 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [0,0,0,1,0,0|2,0,0]=3 371 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,0,0,1,0,0|1,0,0]=2 372 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [0,0,0,1,0,0|2,0,0]=3 373 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,0,0,1,0,0|1,0,2]=4 374 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [0,0,0,1,0,0|2,0,1]=4 375 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,0|1,0,1]=3 376 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,0|2,0,1]=4 377 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,0|2,0,1]=4 378 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,0|2,0,1]=4 379 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [0,0,0,1,0,0|1,0,1]=3 380 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [0,0,0,1,0,0|1,0,1]=3 381 B9R1.11 CCC(=O)C1=CC=CS1 12618 [0,0,0,0,1,0|1,0,0]=2 382 B9R1.11 COC(=O)C1=CC=CN1 9141 [0,0,0,0,1,0|2,0,0]=3 383 B9R1.11 COC(=O)C1=CC=CO1 7090 [0,0,0,0,1,0|2,0,0]=3 384 B9R1.11 COC(=O)C1=CC=CS1 19955 [0,0,0,0,1,0|2,0,0]=3 385 B9R1.11 COC(=O)C1=CN=CS1 17249 [0,0,0,0,1,0|3,0,0]=4 386 B9R1.11 COC(=O)C1=CNC=C1 22507 [0,0,0,0,1,0|2,0,0]=3 387 B9R1.11 COC(=O)C1=CNC=N1 16142 [0,0,0,0,1,0|3,0,0]=4 388 B9R1.11 COC(=O)C1=CSC=N1 15784 [0,0,0,0,1,0|3,0,0]=4 389 B9R1.11 COC(=O)C1=NC=CN1 23680 [0,0,0,0,1,0|3,0,0]=4 390 B9R1.11 COC(=O)C1=NNC=C1 14332 [0,0,0,0,1,0|3,0,0]=4 391 B9R1.11 NNC(=O)C1=CC=CO1 32208 [0,0,0,0,1,0|3,0,0]=4 392 B9R1.11 NNC(=O)C1=CC=CS1 5213 [0,0,0,0,1,0|3,0,0]=4 393 B9R1.11 O=C(CBr)C1=CC=CS1 10129 [0,0,0,0,1,0|2,0,0]=3 394 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,0,0,0,0,1|0,0,0]=1 395 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,0,0,0,0,1|1,0,0]=2 396 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,0,0,0,0,1|2,0,0]=3 397 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,0,0,0,0,1|2,0,0]=3 398 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,0,0,0,0,1|2,0,0]=3 399 B11R1.40 COC(=O)CC1=NC=CN=C1 27419 [0,0,0,0,0,1|3,0,0]=4 400 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,0,0,0,0,1|2,0,1]=4 401 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,0,0,0,0,1|2,1,0]=4 402 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,0,0,0,0,1|2,0,1]=4 403 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,0,0,0,0,1|2,0,1]=4 404 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,0,0,0,0,1|1,0,0]=2 405 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 406 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 408 B8R1.2 C=CC1=NC=CC=C1 23910 [2,0,0,0,0,0|1,0,1]=4 409 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 413 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 418 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 424 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.2 O=CC1=CC=CN=C1 1124 [2,0,0,0,0,0|1,0,0]=3 430 B8R1.2 O=CC1=CC=CN=N1 23311 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.2 O=CC1=CC=NC=C1 11745 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.2 O=CC1=CN=CN=C1 5298 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.2 O=CC1=NC=CC=C1 11741 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.2 O=CC1=NC=CC=N1 23190 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.2 O=CC1=NC=CN=C1 32140 [2,0,0,0,0,0|2,0,0]=4 436 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|1,0,0]=3 440 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|2,0,0]=4 443 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,1,0,0,0,0|0,0,0]=2 445 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,1,0,0,0,0|0,0,0]=2 446 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 17693 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,1,0,0,0,0|0,0,2]=4 465 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,1,0,0,0,0|0,0,2]=4 485 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,1,0,0,0,0|0,0,2]=4 486 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,1,0,0,0,0|0,0,2]=4 487 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,1,0,0,0,0|0,0,2]=4 491 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [1,1,0,0,0,0|1,1,0]=4 505 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [1,1,0,0,0,0|1,1,0]=4 506 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [1,1,0,0,0,0|1,1,0]=4 507 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.28 CC(C)(C)C1=CC=CC=C1 36004 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.28 CC(C)(N)C1=CC=CC=C1 19654 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.28 CC(C)(S)C1=CC=CC=C1 6849 [1,1,0,0,0,0|0,1,1]=4 542 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 10814 [1,1,0,0,0,0|1,1,0]=4 544 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 6464 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.28 O=P(O)(O)C1=CC=CC=C1 21303 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 10441 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 14507 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 21767 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|0,0,0]=2 550 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|0,0,0]=2 551 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|0,0,0]=2 552 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|0,0,0]=2 553 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|0,0,0]=2 555 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|0,0,0]=2 556 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.61 CC(=O)C1=NC=CN=C1N 33762 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|0,0,2]=4 583 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|0,0,2]=4 584 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|0,0,2]=4 585 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|0,0,2]=4 588 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|0,0,2]=4 589 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|0,0,2]=4 590 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.61 NC(=O)C1=C(F)C=NC=C1 15252 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.61 NC(=O)c1cccnc1Br 10860 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2063 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 3952 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.61 O=[N+]([O-])c1ccccc1Cl 18481 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.61 O=[N+]([O-])c1ccccc1F 28476 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [1,1,0,0,0,0|0,0,0]=2 640 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [1,1,0,0,0,0|0,0,0]=2 642 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [1,1,0,0,0,0|0,0,0]=2 644 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [1,1,0,0,0,0|0,0,0]=2 645 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [1,1,0,0,0,0|0,0,0]=2 647 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [1,1,0,0,0,0|0,0,0]=2 649 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [1,1,0,0,0,0|0,0,0]=2 650 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [1,1,0,0,0,0|0,0,0]=2 651 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.113 CC(C)c1cccc(Br)c1 27489 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [1,1,0,0,0,0|0,0,2]=4 658 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [1,1,0,0,0,0|0,0,2]=4 674 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [1,1,0,0,0,0|0,0,2]=4 675 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [1,1,0,0,0,0|0,0,2]=4 676 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [1,1,0,0,0,0|1,0,1]=4 678 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [1,1,0,0,0,0|1,0,1]=4 679 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [1,1,0,0,0,0|1,0,1]=4 680 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [1,1,0,0,0,0|0,0,2]=4 681 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [1,1,0,0,0,0|0,0,2]=4 682 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [1,1,0,0,0,0|0,0,2]=4 683 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 16641 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 16074 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.113 NC(=O)C1=CC(N)=NC=C1 16603 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 1212 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 9223 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [1,1,0,0,0,0|1,1,0]=4 696 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [1,1,0,0,0,0|1,1,0]=4 697 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 24745 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 16064 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 26798 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 3820 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 10642 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 3954 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 17999 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|0,0,1]=3 737 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.1 CCNC1=NC=C(Br)C=C1 22083 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.1 C\N=C\C1=CC=C(Cl)N=C1 17586 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,1]=4 754 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|1,0,1]=4 764 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,1]=4 769 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|0,0,1]=3 773 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.4 CCNC1=NC=CC=C1N 6237 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|1,0,1]=4 802 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 3731 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.4 O\N=C\C1=C(F)C=CC=C1 28431 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|1,0,1]=4 822 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,1]=4 823 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|1,0,1]=4 830 B10R1.10 OC1=CC(\C=C\Br)=CC=C1 31891 [1,1,0,0,0,0|1,0,1]=4 831 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.10 O\N=C\C1=CC(Br)=CC=C1 3732 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|0,0,1]=3 835 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|0,0,1]=3 839 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [1,1,0,0,0,0|0,0,2]=4 842 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|1,0,0]=3 844 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,1]=4 845 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [1,1,0,0,0,0|0,0,2]=4 846 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [1,1,0,0,0,0|0,0,2]=4 851 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,1,0,0,0,0|0,0,2]=4 852 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|0,0,1]=3 853 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,1,0,0,0,0|1,0,1]=4 854 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,1,0,0,0,0|1,0,1]=4 855 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,1,0,0,0,0|1,0,1]=4 856 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,1,0,0,0,0|1,0,1]=4 858 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|0,0,1]=3 861 B10R1.11 CCOC(=O)C1=CC=CN1 14843 [0,1,0,0,1,0|1,0,0]=3 862 B10R1.11 CCOC(=O)C1=CC=CO1 7087 [0,1,0,0,1,0|1,0,0]=3 863 B10R1.11 CCOC(=O)C1=CC=NN1 23654 [0,1,0,0,1,0|2,0,0]=4 864 B10R1.11 CCOC(=O)C1=CN=CO1 24995 [0,1,0,0,1,0|2,0,0]=4 865 B10R1.11 CCOC(=O)C1=CN=CS1 17199 [0,1,0,0,1,0|2,0,0]=4 866 B10R1.11 CCOC(=O)C1=CNC=N1 19079 [0,1,0,0,1,0|2,0,0]=4 867 B10R1.11 CCOC(=O)C1=CNN=C1 21939 [0,1,0,0,1,0|2,0,0]=4 868 B10R1.11 CCOC(=O)C1=COC=C1 19999 [0,1,0,0,1,0|1,0,0]=3 869 B10R1.11 CCOC(=O)C1=COC=N1 15937 [0,1,0,0,1,0|2,0,0]=4 870 B10R1.11 CCOC(=O)C1=CON=C1 24246 [0,1,0,0,1,0|2,0,0]=4 871 B10R1.11 CCOC(=O)C1=CSC=C1 16116 [0,1,0,0,1,0|1,0,0]=3 872 B10R1.11 CCOC(=O)C1=CSC=N1 15785 [0,1,0,0,1,0|2,0,0]=4 873 B10R1.11 CCOC(=O)C1=NC=CN1 19979 [0,1,0,0,1,0|2,0,0]=4 874 B10R1.11 CCOC(=O)C1=NC=CO1 15936 [0,1,0,0,1,0|2,0,0]=4 875 B10R1.11 CCOC(=O)C1=NNC=C1 19209 [0,1,0,0,1,0|2,0,0]=4 876 B10R1.11 CCOC(=O)C1=NOC=C1 15841 [0,1,0,0,1,0|2,0,0]=4 877 B10R1.11 N#CCC(=O)C1=CC=CO1 11959 [0,1,0,0,1,0|1,0,1]=4 878 B10R1.11 N#CCC(=O)C1=CC=CS1 8372 [0,1,0,0,1,0|1,0,1]=4 879 B10R1.11 N#CCC(=O)C1=COC=C1 11957 [0,1,0,0,1,0|1,0,1]=4 880 B10R1.11 N#CCC(=O)C1=CSC=C1 11956 [0,1,0,0,1,0|1,0,1]=4 881 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [0,1,0,0,1,0|2,0,0]=4 882 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [0,1,0,0,1,0|2,0,0]=4 883 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [0,1,0,0,1,0|2,0,0]=4 884 B10R1.14 COC(=O)C1=CN(C)C=C1 25789 [0,1,0,0,1,0|2,0,0]=4 885 B10R1.14 COC(=O)C1=CSC(Br)=C1 27871 [0,1,0,0,1,0|2,0,0]=4 886 B10R1.14 COC(=O)C1=CSC(Br)=C1 32397 [0,1,0,0,1,0|2,0,0]=4 887 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 5287 [0,1,0,0,1,0|2,0,0]=4 888 B10R1.149 COC(=O)C1=C(Br)C=CS1 33825 [0,1,0,0,1,0|2,0,0]=4 889 B10R1.149 COC(=O)C1=C(C)C=CS1 10098 [0,1,0,0,1,0|2,0,0]=4 890 B10R1.149 COC(=O)C1=C(C)SC=C1 15770 [0,1,0,0,1,0|2,0,0]=4 891 B10R1.149 COC(=O)C1=C(Cl)C=CS1 9775 [0,1,0,0,1,0|2,0,0]=4 892 B10R1.149 COC(=O)C1=C(F)C=CS1 15241 [0,1,0,0,1,0|2,0,0]=4 893 B10R1.149 COC(=O)C1=C(I)C=CS1 33549 [0,1,0,0,1,0|2,0,0]=4 894 B10R1.149 COC(=O)C1=C(N)C=CS1 7304 [0,1,0,0,1,0|2,0,0]=4 895 B10R1.149 COC(=O)C1=C(N)SC=C1 5551 [0,1,0,0,1,0|2,0,0]=4 896 B10R1.149 COC(=O)C1=C(O)C=CS1 7744 [0,1,0,0,1,0|2,0,0]=4 897 B10R1.149 COC(=O)C1=CC=CN1C 12438 [0,1,0,0,1,0|2,0,0]=4 898 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,1,0,0,0,1|0,0,0]=2 899 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [0,1,0,0,0,1|1,0,0]=3 900 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [0,1,0,0,0,1|1,0,0]=3 901 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [0,1,0,0,0,1|0,0,0]=2 904 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [0,1,0,0,0,1|0,0,0]=2 905 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [0,1,0,0,0,1|0,0,0]=2 906 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 9267 [0,1,0,0,0,1|1,0,0]=3 907 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 20242 [0,1,0,0,0,1|1,0,0]=3 908 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 19449 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,1,0,0,0,1|1,0,0]=3 910 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,1,0,0,0,1|1,0,0]=3 911 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,1,0,0,0,1|1,0,0]=3 912 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,1,0,0,0,1|1,0,0]=3 913 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,1,0,0,0,1|1,0,0]=3 914 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,1,0,0,0,1|1,0,0]=3 915 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,1,0,0,0,1|1,0,0]=3 916 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,1,0,0,0,1|1,0,0]=3 917 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,1,0,0,0,1|1,0,0]=3 918 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 8401 [0,1,0,0,0,1|1,0,0]=3 919 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [0,1,0,0,0,1|0,0,2]=4 920 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 20352 [0,1,0,0,0,1|1,0,0]=3 921 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,1,0,0,0,1|1,0,0]=3 922 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [0,1,0,0,0,1|1,0,0]=3 923 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [0,1,0,0,0,1|1,0,0]=3 924 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [0,1,0,0,0,1|1,0,0]=3 925 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 25850 [0,1,0,0,0,1|2,0,0]=4 926 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 8398 [0,1,0,0,0,1|1,0,0]=3 927 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,1,0,0,0,1|1,0,0]=3 928 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 8396 [0,1,0,0,0,1|1,0,0]=3 929 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 15010 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 27325 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.9 CSS(=O)(=O)C1=CC=C(C)C=C1 26030 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 14506 [0,2,0,0,0,0|1,0,1]=4 933 B12R1.13 CCN(CC)C1=CC=CC(O)=C1 19876 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.478 CC[C@H](C(=O)O)c1ccccc1 9874 [0,2,0,0,0,0|0,0,1]=3 935 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 16164 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 12072 [0,2,0,0,0,0|0,0,1]=3 937 B12R1.16 CC1=CN=C(C(=O)CC#N)C=C1 12083 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.16 CCCC(=O)C1=CC=C(Cl)N=C1 19452 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [0,2,0,0,0,0|0,0,0]=2 940 B12R1.16 CCNC(=O)C1=CN=C(Br)C=C1 9636 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 3946 [0,2,0,0,0,0|0,0,0]=2 942 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 15489 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 3705 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 15179 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 17694 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 3471 [0,2,0,0,0,0|0,0,0]=2 947 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 3886 [0,2,0,0,0,0|0,0,0]=2 948 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 20417 [0,2,0,0,0,0|0,0,0]=2 949 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 27408 [0,2,0,0,0,0|0,0,0]=2 950 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 12417 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 22201 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 23611 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 12621 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 30404 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 7868 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.16 CCOC(=O)C1=NC=C(O)N=C1 30403 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [0,2,0,0,0,0|0,0,2]=4 958 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 12042 [0,2,0,0,0,0|0,0,1]=3 959 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 12045 [0,2,0,0,0,0|0,0,1]=3 960 B12R1.16 N#CCC(=O)C1=CC=C(Cl)N=C1 12092 [0,2,0,0,0,0|1,0,1]=4 961 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 12048 [0,2,0,0,0,0|0,0,1]=3 962 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 12038 [0,2,0,0,0,0|0,0,1]=3 963 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 20483 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 13267 [0,2,0,0,0,0|0,0,0]=2 965 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 13270 [0,2,0,0,0,0|0,0,0]=2 966 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 13250 [0,2,0,0,0,0|0,0,0]=2 967 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 12073 [0,2,0,0,0,0|0,0,1]=3 968 B12R1.17 CC1=CC=CC(C(=O)CC#N)=N1 12082 [0,2,0,0,0,0|1,0,1]=4 969 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 23515 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 3941 [0,2,0,0,0,0|0,0,0]=2 971 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 15173 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.17 CCOC(=O)C1=CC(Cl)=CC=C1 3704 [0,2,0,0,0,0|0,0,0]=2 973 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 3470 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 3883 [0,2,0,0,0,0|0,0,0]=2 975 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 16599 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 19923 [0,2,0,0,0,0|0,0,0]=2 977 B12R1.17 CCOC(=O)C1=CC=CC(C)=C1 15484 [0,2,0,0,0,0|0,0,0]=2 978 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 2416 [0,2,0,0,0,0|1,0,0]=3 979 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 18433 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 32430 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 10591 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 33337 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 17513 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 32431 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 19545 [0,2,0,0,0,0|1,0,0]=3 986 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 32429 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 12734 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.17 CCOC(=O)C1=NC=CC(Cl)=C1 12732 [0,2,0,0,0,0|1,0,0]=3 989 B12R1.17 CCOC(=O)C1=NC=CC(N)=C1 26041 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 33333 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.17 CNC[C@H](O)c1cccc(O)c1 23988 [0,2,0,0,0,0|0,0,2]=4 992 B12R1.17 N#CCC(=O)C1=CC(Br)=CC=C1 12043 [0,2,0,0,0,0|0,0,1]=3 993 B12R1.17 N#CCC(=O)C1=CC(Br)=CN=C1 12099 [0,2,0,0,0,0|1,0,1]=4 994 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 12046 [0,2,0,0,0,0|0,0,1]=3 995 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 12049 [0,2,0,0,0,0|0,0,1]=3 996 B12R1.17 N#CCC(=O)C1=CC(I)=CC=C1 12039 [0,2,0,0,0,0|0,0,1]=3 997 B12R1.17 N#CCC(=O)C1=NC(Br)=CC=C1 12080 [0,2,0,0,0,0|1,0,1]=4 998 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 23460 [0,2,0,0,0,0|1,0,1]=4 999 B12R1.17 N[C@H](CCO)C1=CC(Cl)=CC=C1 20484 [0,2,0,0,0,0|1,0,1]=4 1000 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 24609 [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.30 CNCCC(O)C1=CC=CC=C1 27334 [0,2,0,0,0,0|0,0,2]=4 1004 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 23266 [0,2,0,0,0,0|0,0,2]=4 1005 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 23246 [0,2,0,0,0,0|0,0,2]=4 1006 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 12899 [0,2,0,0,0,0|0,0,1]=3 1007 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 19864 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,2,0,0,0,0|1,0,1]=4 1011 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 35765 [0,2,0,0,0,0|1,0,1]=4 1012 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.308 CC1=C(C(=O)CC#N)C=CC=C1 12074 [0,2,0,0,0,0|0,0,1]=3 1014 B12R1.308 CC1=CC=CN=C1C(=O)CC#N 12084 [0,2,0,0,0,0|1,0,1]=4 1015 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [0,2,0,0,0,0|0,0,0]=2 1016 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 3937 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 17515 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 12886 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 15493 [0,2,0,0,0,0|0,0,0]=2 1020 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 12727 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 3703 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 3469 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 3881 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 16750 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 12921 [0,2,0,0,0,0|1,0,0]=3 1026 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 24103 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.308 CCOC(=O)C1=CC=CC=C1N 13628 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.308 CCOC(=O)C1=CC=CC=C1S 6857 [0,2,0,0,0,0|0,0,0]=2 1029 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 18612 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.308 CCOC(=O)C1=CN=CN=C1O 21506 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl 32182 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.308 N#CCC(=O)C1=C(Br)C=CC=C1 12044 [0,2,0,0,0,0|0,0,1]=3 1033 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 12047 [0,2,0,0,0,0|0,0,1]=3 1034 B12R1.308 N#CCC(=O)C1=C(F)C=CC=C1 12050 [0,2,0,0,0,0|0,0,1]=3 1035 B12R1.308 N#CCC(=O)C1=C(I)C=CC=C1 12041 [0,2,0,0,0,0|0,0,1]=3 1036 B12R1.308 N#CCC(=O)C1=CC=CN=C1Br 12104 [0,2,0,0,0,0|1,0,1]=4 1037 B12R1.308 N#CCC(=O)C1=CC=CN=C1Cl 12089 [0,2,0,0,0,0|1,0,1]=4 1038 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 29728 [0,2,0,0,0,0|1,0,0]=3 1039 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [0,2,0,0,0,0|1,0,1]=4 1041 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 33537 [0,2,0,0,0,0|1,0,0]=3 1042 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 19304 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 13652 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24217 [0,2,0,0,0,0|1,0,0]=3 1046 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24218 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 19720 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 14334 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 35347 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,2,0,0,0,0|1,0,0]=3 1054 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [0,2,0,0,0,0|1,0,1]=4 1056 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [0,2,0,0,0,0|1,0,1]=4 1057 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [0,2,0,0,0,0|1,0,1]=4 1058 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 15747 [0,2,0,0,0,0|1,0,0]=3 1059 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 34564 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 36395 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.5 N#Cc1ccc(C(=O)CN)cc1 20059 [0,2,0,0,0,0|1,0,0]=3 1062 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,2,0,0,0,0|0,0,1]=3 1063 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 35873 [0,2,0,0,0,0|0,0,0]=2 1064 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [0,2,0,0,0,0|1,0,1]=4 1065 B12R1.367 CC1=C(C)C=C(C(=O)CBr)C=C1 31208 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.367 CC1=C(F)C=C(C(=O)CCl)C=C1 29141 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 29293 [0,2,0,0,0,0|0,0,0]=2 1068 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 3967 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 18716 [0,2,0,0,0,0|1,0,0]=3 1070 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 25997 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 30454 [0,2,0,0,0,0|1,0,0]=3 1072 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 3970 [0,2,0,0,0,0|1,0,0]=3 1073 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 18887 [0,2,0,0,0,0|1,0,0]=3 1075 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 2351 [0,2,0,0,0,0|1,0,0]=3 1076 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [0,2,0,0,0,0|1,0,0]=3 1077 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 10935 [0,2,0,0,0,0|1,0,0]=3 1078 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 10804 [0,2,0,0,0,0|1,0,0]=3 1079 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 30521 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 16655 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 14795 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 30688 [0,2,0,0,0,0|1,0,0]=3 1084 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 28528 [0,2,0,0,0,0|1,0,0]=3 1085 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 30515 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 10432 [0,2,0,0,0,0|1,0,0]=3 1087 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 27778 [0,2,0,0,0,0|1,0,0]=3 1088 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 16736 [0,2,0,0,0,0|1,0,0]=3 1089 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 10930 [0,2,0,0,0,0|1,0,0]=3 1090 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 26806 [0,2,0,0,0,0|1,0,0]=3 1091 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 10509 [0,2,0,0,0,0|1,0,0]=3 1092 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 4610 [0,2,0,0,0,0|1,0,0]=3 1093 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 28531 [0,2,0,0,0,0|1,0,0]=3 1094 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 30757 [0,2,0,0,0,0|1,0,0]=3 1095 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 13647 [0,2,0,0,0,0|1,0,0]=3 1096 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 3567 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 31767 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 3149 [0,2,0,0,0,0|1,0,0]=3 1099 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 34764 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 24635 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 12980 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 24636 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 9472 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 34542 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.367 COC(=O)c1ccc(F)c(N)c1 30508 [0,2,0,0,0,0|1,0,0]=3 1106 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 3262 [0,2,0,0,0,0|1,0,0]=3 1107 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 2118 [0,2,0,0,0,0|1,0,0]=3 1108 B12R1.367 O=C(CCl)C1=CC(Cl)=C(Cl)C=C1 20021 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.367 O=C(CCl)C1=CC(F)=C(F)C=C1 13423 [0,2,0,0,0,0|1,0,0]=3 1110 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 3386 [0,2,0,0,0,0|1,0,0]=3 1111 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 29277 [0,2,0,0,0,0|1,0,0]=3 1112 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 12332 [0,2,0,0,0,0|1,0,1]=4 1113 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 12210 [0,2,0,0,0,0|1,0,1]=4 1114 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 16796 [0,2,0,0,0,0|1,0,0]=3 1115 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 24408 [0,2,0,0,0,0|0,0,0]=2 1116 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 27629 [0,2,0,0,0,0|0,0,0]=2 1117 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 27568 [0,2,0,0,0,0|1,0,0]=3 1118 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 28779 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 22934 [0,2,0,0,0,0|1,0,0]=3 1120 B12R1.1703 CNC(=O)c1ccc(N)cc1F 34919 [0,2,0,0,0,0|1,0,0]=3 1121 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 14035 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 28546 [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 28558 [0,2,0,0,0,0|1,0,0]=3 1124 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 30570 [0,2,0,0,0,0|1,0,0]=3 1125 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 34395 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 21350 [0,2,0,0,0,0|1,0,0]=3 1127 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 30758 [0,2,0,0,0,0|1,0,0]=3 1128 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 13977 [0,2,0,0,0,0|1,0,0]=3 1129 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 26459 [0,2,0,0,0,0|1,0,0]=3 1130 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=C1 3713 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 18760 [0,2,0,0,0,0|1,0,0]=3 1132 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4647 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 36135 [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 18624 [0,2,0,0,0,0|1,0,0]=3 1135 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 15678 [0,2,0,0,0,0|1,0,0]=3 1136 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 28644 [0,2,0,0,0,0|1,0,0]=3 1137 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 28527 [0,2,0,0,0,0|1,0,0]=3 1138 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 28639 [0,2,0,0,0,0|1,0,0]=3 1139 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 4635 [0,2,0,0,0,0|1,0,0]=3 1140 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 30496 [0,2,0,0,0,0|1,0,0]=3 1141 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 4643 [0,2,0,0,0,0|1,0,0]=3 1142 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 28524 [0,2,0,0,0,0|1,0,0]=3 1143 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 30520 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 32352 [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 35728 [0,2,0,0,0,0|1,0,0]=3 1146 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O 4089 [0,2,0,0,0,0|1,0,0]=3 1147 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl 12979 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.1703 COC(=O)C1=CN=C(N)C=C1Cl 23577 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O 25858 [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C 17156 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl 21385 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.1703 COC(=O)c1ccc(Br)cc1Br 24437 [0,2,0,0,0,0|1,0,0]=3 1153 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 18183 [0,2,0,0,0,0|1,0,0]=3 1154 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 16751 [0,2,0,0,0,0|1,0,0]=3 1155 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 22349 [0,2,0,0,0,0|1,0,0]=3 1156 B12R1.1703 NNC(=O)C1=C(F)C=C(F)C=C1 3460 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 13425 [0,2,0,0,0,0|1,0,0]=3 1158 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 29133 [0,2,0,0,0,0|1,0,0]=3 1159 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(Cl)C=C1 7499 [0,2,0,0,0,0|1,0,0]=3 1160 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 3267 [0,2,0,0,0,0|1,0,0]=3 1161 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 12166 [0,2,0,0,0,0|1,0,1]=4 1162 B12R1.24 CCC(=O)C1=C(Br)C(F)=CC=C1 34290 [0,2,0,0,0,0|0,0,0]=2 1163 B12R1.24 CNC(=O)C1=C(C)C(N)=CC=C1 33812 [0,2,0,0,0,0|1,0,0]=3 1164 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 3966 [0,2,0,0,0,0|1,0,0]=3 1165 B12R1.24 COC(=O)C1=C(Br)C(I)=CC=C1 30680 [0,2,0,0,0,0|1,0,0]=3 1166 B12R1.24 COC(=O)C1=C(Br)C(N)=CC=C1 30620 [0,2,0,0,0,0|1,0,0]=3 1167 B12R1.24 COC(=O)C1=C(C)C(Br)=CC=C1 20307 [0,2,0,0,0,0|1,0,0]=3 1168 B12R1.24 COC(=O)C1=C(C)C(C)=CC=C1 30575 [0,2,0,0,0,0|1,0,0]=3 1169 B12R1.24 COC(=O)C1=C(C)C(Cl)=CC=C1 30656 [0,2,0,0,0,0|1,0,0]=3 1170 B12R1.24 COC(=O)C1=C(C)C(N)=CC=C1 4978 [0,2,0,0,0,0|1,0,0]=3 1171 B12R1.24 COC(=O)C1=C(C)C(O)=CC=C1 30661 [0,2,0,0,0,0|1,0,0]=3 1172 B12R1.24 COC(=O)C1=C(Cl)C(C)=CC=C1 30754 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.24 COC(=O)C1=C(F)C(Br)=CC=C1 21940 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.24 COC(=O)C1=C(F)C(C)=CC=C1 25286 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.24 COC(=O)C1=C(F)C(Cl)=NC=C1 17056 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.24 COC(=O)C1=C(F)C(F)=CC=C1 32214 [0,2,0,0,0,0|1,0,0]=3 1177 B12R1.24 COC(=O)C1=C(F)C(I)=CC=C1 30683 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.24 COC(=O)C1=C(F)C(N)=CC=C1 18729 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.24 COC(=O)C1=C(I)C(F)=CC=C1 30617 [0,2,0,0,0,0|1,0,0]=3 1180 B12R1.24 COC(=O)C1=C(N)C(Br)=CC=C1 28507 [0,2,0,0,0,0|1,0,0]=3 1181 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 10929 [0,2,0,0,0,0|1,0,0]=3 1182 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 35151 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.24 COC(=O)C1=C(N)C(Cl)=CC=C1 13621 [0,2,0,0,0,0|1,0,0]=3 1184 B12R1.24 COC(=O)C1=C(N)C(F)=CC=C1 28523 [0,2,0,0,0,0|1,0,0]=3 1185 B12R1.24 COC(=O)C1=C(N)C(F)=CC=C1 30492 [0,2,0,0,0,0|1,0,0]=3 1186 B12R1.24 COC(=O)C1=C(N)C(N)=CC=C1 4608 [0,2,0,0,0,0|1,0,0]=3 1187 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 22540 [0,2,0,0,0,0|1,0,0]=3 1188 B12R1.24 COC(=O)C1=C(O)C(Br)=CC=C1 28568 [0,2,0,0,0,0|1,0,0]=3 1189 B12R1.24 COC(=O)C1=C(O)C(Cl)=CC=C1 30510 [0,2,0,0,0,0|1,0,0]=3 1190 B12R1.24 COC(=O)C1=C(O)C(F)=CC=C1 4086 [0,2,0,0,0,0|1,0,0]=3 1191 B12R1.24 COC(=O)C1=CC=CC(C)=C1O 16431 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.24 N#CC(=O)C1=C(Cl)C(Cl)=CC=C1 14364 [0,2,0,0,0,0|1,0,1]=4 1193 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F 28931 [0,2,0,0,0,0|1,0,1]=4 1194 B12R1.24 O=C(CBr)C1=C(F)C(Cl)=CC=C1 31196 [0,2,0,0,0,0|1,0,0]=3 1195 B12R1.225 CC1=CC=CC(C(=O)C(C)Br)=C1 35026 [0,2,0,0,0,0|0,0,0]=2 1196 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 20350 [0,2,0,0,0,0|0,0,0]=2 1197 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 34488 [0,2,0,0,0,0|0,0,0]=2 1198 B12R1.354 CCC(O)C1=C(F)C=CC(Br)=C1 20349 [0,2,0,0,0,0|0,0,2]=4 1199 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=C1 3972 [0,2,0,0,0,0|1,0,0]=3 1200 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 30710 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 11238 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 28559 [0,2,0,0,0,0|1,0,0]=3 1203 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 29426 [0,2,0,0,0,0|1,0,0]=3 1204 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 10936 [0,2,0,0,0,0|1,0,0]=3 1205 B12R1.354 COC(=O)C1=C(C)C=CC(Cl)=C1 30530 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 28656 [0,2,0,0,0,0|1,0,0]=3 1207 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 28677 [0,2,0,0,0,0|1,0,0]=3 1208 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 28670 [0,2,0,0,0,0|1,0,0]=3 1209 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=C1 28547 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.354 COC(=O)C1=C(Cl)C=CC(C)=C1 30581 [0,2,0,0,0,0|1,0,0]=3 1211 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 3714 [0,2,0,0,0,0|1,0,0]=3 1212 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 30711 [0,2,0,0,0,0|1,0,0]=3 1213 B12R1.354 COC(=O)C1=C(Cl)N=CC(Br)=C1 12966 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.354 COC(=O)C1=C(Cl)N=CC(F)=C1 26802 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.354 COC(=O)C1=C(Cl)N=CC(O)=C1 32395 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=C1 28565 [0,2,0,0,0,0|1,0,0]=3 1217 B12R1.354 COC(=O)C1=C(F)C=CC(I)=C1 28645 [0,2,0,0,0,0|1,0,0]=3 1218 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 28640 [0,2,0,0,0,0|1,0,0]=3 1219 B12R1.354 COC(=O)C1=C(F)N=CC(Br)=C1 23895 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 26364 [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 3344 [0,2,0,0,0,0|1,0,0]=3 1222 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 3346 [0,2,0,0,0,0|1,0,0]=3 1223 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 3558 [0,2,0,0,0,0|1,0,0]=3 1224 B12R1.354 COC(=O)C1=C(N)C=CC(I)=C1 3354 [0,2,0,0,0,0|1,0,0]=3 1225 B12R1.354 COC(=O)C1=C(N)N=CC(Br)=C1 9341 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 19740 [0,2,0,0,0,0|1,0,0]=3 1227 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 30490 [0,2,0,0,0,0|1,0,0]=3 1228 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 4087 [0,2,0,0,0,0|1,0,0]=3 1229 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 26394 [0,2,0,0,0,0|1,0,0]=3 1230 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1Br 32213 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O 23616 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.354 COC(=O)C1=CC(N)=NC=C1Br 18565 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C 24205 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.354 O=C(CCl)C1=C(F)C=CC(F)=C1 3268 [0,2,0,0,0,0|1,0,0]=3 1235 B12R1.358 CCC(=O)C1=CC(F)=CC(F)=C1 29166 [0,2,0,0,0,0|0,0,0]=2 1236 B12R1.358 CCC(=O)c1cc(Cl)cc(Cl)c1 28264 [0,2,0,0,0,0|0,0,0]=2 1237 B12R1.358 COC(=O)C1=CC(Br)=CC(Br)=C1 3973 [0,2,0,0,0,0|1,0,0]=3 1238 B12R1.358 COC(=O)C1=CC(Br)=CC(I)=C1 28571 [0,2,0,0,0,0|1,0,0]=3 1239 B12R1.358 COC(=O)C1=CC(Br)=CC(O)=C1 35097 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.358 COC(=O)C1=CC(Cl)=CC(C)=C1 16464 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 29315 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 17060 [0,2,0,0,0,0|2,0,0]=4 1243 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=C1 30654 [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.358 COC(=O)C1=CC(N)=CC(O)=C1 17212 [0,2,0,0,0,0|1,0,0]=3 1245 B12R1.358 COC(=O)C1=CC(O)=CC(I)=C1 17211 [0,2,0,0,0,0|1,0,0]=3 1246 B12R1.358 COC(=O)C1=CC(O)=CC(O)=C1 21357 [0,2,0,0,0,0|1,0,0]=3 1247 B12R1.358 COC(=O)c1cc(Br)cc(N)n1 2606 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.358 COC(=O)c1cc(C)cc(Br)c1 30563 [0,2,0,0,0,0|1,0,0]=3 1249 B12R1.358 COC(=O)c1cc(N)cc(F)c1 29094 [0,2,0,0,0,0|1,0,0]=3 1250 B12R1.358 O=C(CBr)C1=CC(Cl)=CC(Cl)=C1 31209 [0,2,0,0,0,0|1,0,0]=3 1251 B12R1.358 O=C(CBr)C1=CC(F)=CC(F)=C1 29134 [0,2,0,0,0,0|1,0,0]=3 1252 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 44763 [0,2,0,0,0,0|1,0,0]=3 1253 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 21088 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 12631 [0,2,0,0,0,0|1,0,0]=3 1255 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 17417 [0,2,0,0,0,0|1,0,0]=3 1256 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 30509 [0,2,0,0,0,0|1,0,0]=3 1257 B12R1.435 COC(=O)C1=CC(CCl)=CC=C1 19902 [0,2,0,0,0,0|1,0,0]=3 1258 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 11178 [0,2,0,0,0,0|1,0,0]=3 1259 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 17871 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.435 COC(=O)C1=NC(CO)=CC=C1 28923 [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 16541 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.435 COC(=O)c1cc(OC)ccn1 11083 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.435 COC(=O)c1cccc(SCl)c1 28889 [0,2,0,0,0,0|1,0,0]=3 1264 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 12325 [0,2,0,0,0,0|1,0,1]=4 1265 B12R1.435 COc1cccc(C(=O)CN)c1 20065 [0,2,0,0,0,0|1,0,0]=3 1266 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 28232 [0,2,0,0,0,0|1,0,0]=3 1267 B12R1.435 N#Cc1cccc(C(=O)CN)c1 20061 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 15090 [0,2,0,0,0,0|0,0,0]=2 1269 B12R1.564 CC(C)(C)C(=O)C1=CN=CN=C1 25058 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 20905 [0,2,0,0,0,0|0,0,0]=2 1271 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)Cl 29138 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)F 28258 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.564 O=C(C1=CC=NC=C1)C(F)(F)F 34246 [0,2,0,0,0,0|2,0,0]=4 1274 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 35564 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 13627 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 30507 [0,2,0,0,0,0|1,0,0]=3 1277 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 12369 [0,2,0,0,0,0|1,0,0]=3 1278 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 20353 [0,2,0,0,0,0|1,0,0]=3 1279 B12R1.77 COC(=O)C1=CC=CN=C1C#N 19311 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.77 COC(=O)C1=CN=CC=C1OC 33526 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.77 COC(=O)c1ccccc1C#N 24574 [0,2,0,0,0,0|1,0,0]=3 1282 B12R1.77 COc1ccccc1C(=O)CN 20067 [0,2,0,0,0,0|1,0,0]=3 1283 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1C 28573 [0,2,0,0,0,0|1,0,0]=3 1284 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1Cl 12094 [0,2,0,0,0,0|1,0,0]=3 1285 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1F 28560 [0,2,0,0,0,0|1,0,0]=3 1286 B12R1.3441 COC(=O)C1=C(C)C=CC=C1C 30678 [0,2,0,0,0,0|1,0,0]=3 1287 B12R1.3441 COC(=O)C1=C(C)C=CN=C1N 9605 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1C 30582 [0,2,0,0,0,0|1,0,0]=3 1289 B12R1.3441 COC(=O)C1=C(Cl)N=CC=C1I 26755 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.3441 COC(=O)C1=C(F)C=CC=C1C 28654 [0,2,0,0,0,0|1,0,0]=3 1291 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O 4088 [0,2,0,0,0,0|1,0,0]=3 1292 B12R1.3441 COC(=O)C1=C(F)N=CC=C1I 15247 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.3441 COC(=O)C1=C(N)C=CC=C1Br 30734 [0,2,0,0,0,0|1,0,0]=3 1294 B12R1.3441 COC(=O)C1=C(N)C=CC=C1C 30579 [0,2,0,0,0,0|1,0,0]=3 1295 B12R1.3441 COC(=O)C1=C(N)C=CC=C1F 28525 [0,2,0,0,0,0|1,0,0]=3 1296 B12R1.3441 O=C(CBr)C1=C(Cl)C=CC=C1Cl 31181 [0,2,0,0,0,0|1,0,0]=3 1297 B12R1.3441 O=C(CBr)c1c(F)cccc1F 27506 [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.20 CCC1=C(C=O)C=CC=C1 3074 [0,0,1,1,0,0|2,0,0]=4 1299 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [0,0,1,1,0,0|2,0,0]=4 1300 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|1,0,1]=4 1301 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|0,0,2]=4 1302 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|0,0,2]=4 1303 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,1]=4 1304 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,1,0,0|1,0,1]=4 1305 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|1,0,0]=3 1306 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|2,0,0]=4 1307 B10R2.7 C1=CC2=C(C=C1)SC=C2 13545 [1,0,0,1,0,0|1,0,1]=4 1308 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|0,0,1]=3 1309 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|0,0,1]=3 1310 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|1,0,1]=4 1311 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|1,0,1]=4 1312 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|1,0,1]=4 1313 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|1,0,0]=3 1314 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,1,0,0|2,0,0]=4 1315 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|1,0,1]=4 1316 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|2,0,0]=4 1317 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|2,0,0]=4 1318 B10R2.32 O=C1CCC2=C1C=CS2 18363 [0,0,0,1,1,0|1,0,0]=3 1319 B10R2.32 O=C1CCC2=C1SC=C2 18321 [0,0,0,1,1,0|1,0,0]=3 1320 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,1,0,1|1,0,1]=4 1321 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,0,0,1,0,1|2,0,0]=4 1322 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [0,0,0,1,0,1|1,1,0]=4 1323 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,0,0,1,0,1|1,0,0]=3 1324 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,1,0,1|1,0,1]=4 1325 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,0,0,1,0,1|1,0,1]=4 1326 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,0,0,1,0,1|2,0,0]=4 1327 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,0,0,1,0,1|1,0,1]=4 1328 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,0,0,1,0,1|0,0,2]=4 1329 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,1,0,1|1,0,0]=3 1330 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,1|0,0,0]=2 1331 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,0,1,0,1|1,0,0]=3 1332 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,0,1,0,1|1,0,0]=3 1333 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 3912 [0,0,0,1,0,1|1,1,0]=4 1334 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,0,0,1,0,1|1,0,0]=3 1335 B12R2.32 CCC1=CC2=CC=CC=C2N1 22566 [0,0,0,1,0,1|1,0,0]=3 1336 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 21432 [0,0,0,1,0,1|1,0,0]=3 1337 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 21889 [0,0,0,1,0,1|1,0,1]=4 1338 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 21828 [0,0,0,1,0,1|1,1,0]=4 1339 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 7545 [0,0,0,1,0,1|2,0,0]=4 1340 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 33484 [0,0,0,1,0,1|1,0,1]=4 1341 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 29207 [0,0,0,1,0,1|1,1,0]=4 1342 B12R2.32 NCC1=CC2=CC=CC=C2N1 20289 [0,0,0,1,0,1|2,0,0]=4 1343 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 26374 [0,0,0,1,0,1|2,0,0]=4 1344 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 7021 [0,0,0,1,0,1|1,0,1]=4 1345 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 7590 [0,0,0,1,0,1|2,0,0]=4 1346 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 14535 [0,0,0,1,0,1|1,1,0]=4 1347 B12R2.48 OCC1(C2=CC=CC=C2)CC1 15556 [0,1,0,1,0,0|0,0,2]=4 1348 B12R2.1 BrCC1=NOC2=C1C=CC=C2 26214 [0,1,0,1,0,0|1,0,1]=4 1349 B12R2.1 CCN1C=NC2=C1C=CC=C2 7658 [0,1,0,1,0,0|2,0,0]=4 1350 B12R2.1 O=CC1=CNC2=CC=CC=C12 7247 [0,1,0,1,0,0|1,0,1]=4 1351 B12R2.1 O=CC1=CSC2=C1C=CC=C2 13543 [0,1,0,1,0,0|1,0,1]=4 1352 B12R2.1 O=CC1=NNC2=CC=CC=C21 11853 [0,1,0,1,0,0|2,0,0]=4 1353 B12R2.1 OCC1=NNC2=CC=CC=C21 11866 [0,1,0,1,0,0|2,0,0]=4 1354 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [0,1,0,1,0,0|1,0,0]=3 1355 B12R2.2 C1=CC=C(C2CCNC2)C=C1 22374 [0,1,0,1,0,0|1,0,1]=4 1356 B12R2.2 C1=CC=C(C2CCNC2)C=C1 30375 [0,1,0,1,0,0|1,0,1]=4 1357 B12R2.2 C1=CC=C(N2CCCC2)C=C1 9192 [0,1,0,1,0,0|2,0,0]=4 1358 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [0,1,0,1,0,0|1,0,1]=4 1359 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [0,1,0,1,0,0|1,0,1]=4 1360 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [0,1,0,1,0,0|1,0,1]=4 1361 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [0,1,0,1,0,0|1,0,1]=4 1362 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 18577 [0,1,0,1,0,0|1,0,1]=4 1363 B12R2.1081 C=C1CCOC2=CC=CN=C12 19243 [0,1,0,1,0,0|2,0,0]=4 1364 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [0,1,0,1,0,0|1,0,1]=4 1365 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [0,1,0,1,0,0|1,0,1]=4 1366 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [0,1,0,1,0,0|1,0,1]=4 1367 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [0,1,0,1,0,0|1,0,1]=4 1368 B12R2.1081 NC1CSCC2=CC=CC=C21 14610 [0,1,0,1,0,0|1,0,1]=4 1369 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [0,1,0,1,0,0|1,0,1]=4 1370 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [0,1,0,1,0,0|1,0,1]=4 1371 B12R2.1081 O=C1CCCC2=C1C=CC=N2 22315 [0,1,0,1,0,0|1,0,0]=3 1372 B12R2.1081 O=C1CCCC2=C1C=CN=C2 24238 [0,1,0,1,0,0|1,0,0]=3 1373 B12R2.1081 O=C1CCCC2=C1N=CC=C2 14090 [0,1,0,1,0,0|1,0,0]=3 1374 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [0,1,0,1,0,0|0,0,0]=2 1375 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [0,1,0,1,0,0|0,0,0]=2 1376 B12R2.1081 O=C1CCNC2=NC=CC=C12 16493 [0,1,0,1,0,0|1,0,0]=3 1377 B12R2.1081 O=C1CCOC2=CC=CC=C12 9708 [0,1,0,1,0,0|0,0,0]=2 1378 B12R2.1081 O=C1CCOC2=CC=CN=C12 19245 [0,1,0,1,0,0|1,0,0]=3 1379 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 14541 [0,1,0,1,0,0|2,0,0]=4 1380 B12R2.1081 O=C1NN=CC2=CC=CC=C12 14642 [0,1,0,1,0,0|1,0,1]=4 1381 B12R2.1081 O=C1NN=CC2=CC=CC=C12 33495 [0,1,0,1,0,0|1,0,1]=4 1382 B12R2.1081 O=C1OCCC2=CC=CC=C12 25692 [0,1,0,1,0,0|0,0,0]=2 1383 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [0,1,0,1,0,0|0,0,2]=4 1384 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,1,0,1,0,0|0,0,0]=2 1385 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 27908 [0,1,0,1,0,0|1,0,1]=4 1386 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 15713 [0,1,0,1,0,0|1,0,1]=4 1387 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 35955 [0,1,0,1,0,0|1,0,1]=4 1388 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [0,1,0,1,0,0|1,0,1]=4 1389 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [0,1,0,1,0,0|1,0,0]=3 1390 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [0,1,0,1,0,0|1,0,0]=3 1391 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [0,1,0,1,0,0|2,0,0]=4 1392 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 19083 [0,1,0,1,0,0|1,0,1]=4 1393 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|0,0,0]=2 1394 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,1,0,0|0,0,0]=2 1395 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 25145 [0,1,0,1,0,0|1,0,0]=3 1396 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 25214 [0,1,0,1,0,0|1,0,0]=3 1397 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,1,0,0|0,0,0]=2 1398 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,1,0,0|0,0,0]=2 1399 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,1,0,0|0,0,0]=2 1400 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,1,0,0|0,0,0]=2 1401 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,1,0,0|0,0,0]=2 1402 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,1,0,1,0,0|1,0,0]=3 1403 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,1,0,1,0,0|1,0,0]=3 1404 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,1,0,1,0,0|1,0,0]=3 1405 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,1,0,0|1,0,0]=3 1406 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 35478 [0,1,0,1,0,0|1,0,0]=3 1407 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [0,1,0,1,0,0|1,0,0]=3 1408 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [0,1,0,1,0,0|1,0,0]=3 1409 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 20699 [0,1,0,1,0,0|1,0,0]=3 1410 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 8851 [0,1,0,1,0,0|0,0,0]=2 1411 B12R2.132 NC1=CC=C2COC(=O)C2=C1 6988 [0,1,0,1,0,0|1,0,0]=3 1412 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [0,1,0,1,0,0|1,0,1]=4 1413 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [0,1,0,1,0,0|1,0,1]=4 1414 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 13783 [0,1,0,1,0,0|0,0,0]=2 1415 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 13778 [0,1,0,1,0,0|0,0,0]=2 1416 B12R2.132 O=C1CCC2=CC=C(F)C=C12 8856 [0,1,0,1,0,0|0,0,0]=2 1417 B12R2.132 O=C1CCC2=CC=C(I)C=C12 17865 [0,1,0,1,0,0|0,0,0]=2 1418 B12R2.132 O=C1CCC2=CC=C(O)C=C12 9660 [0,1,0,1,0,0|0,0,0]=2 1419 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 17377 [0,1,0,1,0,0|1,0,0]=3 1420 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18004 [0,1,0,1,0,0|1,0,0]=3 1421 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18005 [0,1,0,1,0,0|1,0,0]=3 1422 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18003 [0,1,0,1,0,0|1,0,0]=3 1423 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 27906 [0,1,0,1,0,0|1,0,0]=3 1424 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 16925 [0,1,0,1,0,0|1,0,0]=3 1425 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 24257 [0,1,0,1,0,0|2,0,0]=4 1426 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 22582 [0,1,0,1,0,0|1,0,0]=3 1427 B12R2.132 O=C1OCC2=CC=C(Cl)C=C12 22575 [0,1,0,1,0,0|1,0,0]=3 1428 B12R2.132 O=C1OCC2=CC=C(F)C=C12 22583 [0,1,0,1,0,0|1,0,0]=3 1429 B12R2.132 O=C1OCC2=CC=C(O)C=C12 22513 [0,1,0,1,0,0|1,0,0]=3 1430 B12R2.132 O=S1CNC2=C1C=C(Cl)C=C2 21833 [0,1,0,1,0,0|2,0,0]=4 1431 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 8834 [0,1,0,1,0,0|0,0,0]=2 1432 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 25126 [0,1,0,1,0,0|1,0,0]=3 1433 B12R2.196 NC1=C2COC(=O)C2=CC=C1 22580 [0,1,0,1,0,0|1,0,0]=3 1434 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 13784 [0,1,0,1,0,0|0,0,0]=2 1435 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 5340 [0,1,0,1,0,0|0,0,0]=2 1436 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [0,1,0,1,0,0|0,0,0]=2 1437 B12R2.196 O=C1CCC2=C(O)C=CC=C12 9659 [0,1,0,1,0,0|0,0,0]=2 1438 B12R2.196 O=C1COC2=C1C=CC=C2Cl 17867 [0,1,0,1,0,0|1,0,0]=3 1439 B12R2.196 O=C1COC2=C1C=CC=C2I 17884 [0,1,0,1,0,0|1,0,0]=3 1440 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 22006 [0,1,0,1,0,0|1,0,0]=3 1441 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 25129 [0,1,0,1,0,0|1,0,0]=3 1442 B12R2.196 O=C1NCC2=C(F)C=CC=C12 25128 [0,1,0,1,0,0|1,0,0]=3 1443 B12R2.196 O=C1NCC2=C(O)C=CC=C12 25124 [0,1,0,1,0,0|1,0,0]=3 1444 B12R2.196 O=C1OCC2=C(Cl)C=CC=C12 19470 [0,1,0,1,0,0|1,0,0]=3 1445 B12R2.1282 NC1(C2=CC(Br)=CC=C2)CC1 23874 [0,1,0,1,0,0|1,0,1]=4 1446 B12R2.88 NC1(C2=C(F)C=CC=C2)CC1 34486 [0,1,0,1,0,0|1,0,1]=4 1447 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 19846 [0,1,0,1,0,0|0,0,0]=2 1448 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 13776 [0,1,0,1,0,0|0,0,0]=2 1449 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 13780 [0,1,0,1,0,0|0,0,0]=2 1450 B12R2.203 O=C1CCC2=CC=CC(O)=C12 23254 [0,1,0,1,0,0|0,0,0]=2 1451 B12R2.203 O=C1COC2=C1C(Cl)=CC=C2 17974 [0,1,0,1,0,0|1,0,0]=3 1452 B12R2.203 O=C1COC2=C1C(F)=CC=C2 17972 [0,1,0,1,0,0|1,0,0]=3 1453 B12R2.203 O=C1COC2=C1C(I)=CC=C2 17978 [0,1,0,1,0,0|1,0,0]=3 1454 B12R2.203 O=C1NOC2=C1C(Cl)=CC=C2 17389 [0,1,0,1,0,0|2,0,0]=4 1455 B12R2.203 O=C1OCC2=CC=CC(Cl)=C12 19473 [0,1,0,1,0,0|1,0,0]=3 1456 B8R1.7 CC(=O)C1=CC=CN1 20915 [1,0,0,0,1,0|1,0,0]=3 1457 B8R1.7 CC(=O)C1=CC=CO1 6939 [1,0,0,0,1,0|1,0,0]=3 1458 B8R1.7 CC(=O)C1=CC=CS1 5172 [1,0,0,0,1,0|1,0,0]=3 1459 B8R1.7 CC(=O)C1=CNC=C1 22508 [1,0,0,0,1,0|1,0,0]=3 1460 B8R1.7 CC(=O)C1=CNC=N1 12484 [1,0,0,0,1,0|2,0,0]=4 1461 B8R1.7 CC(=O)C1=CNN=C1 30409 [1,0,0,0,1,0|2,0,0]=4 1462 B8R1.7 CC(=O)C1=CSC=C1 5220 [1,0,0,0,1,0|1,0,0]=3 1463 B8R1.7 CC(=O)C1=NC=CO1 23008 [1,0,0,0,1,0|2,0,0]=4 1464 B8R1.7 CC(=O)C1=NC=CS1 9940 [1,0,0,0,1,0|2,0,0]=4 1465 B8R1.7 CC(=O)N1C=CC=N1 13397 [1,0,0,0,1,0|2,0,0]=4 1466 B8R1.7 CC(=O)N1C=CN=C1 25826 [1,0,0,0,1,0|2,0,0]=4 1467 B8R1.7 CC(C)=C1C=CC=C1 35011 [1,0,0,0,1,0|1,0,0]=3 1468 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [1,0,0,0,1,0|2,0,0]=4 1469 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [1,0,0,0,1,0|2,0,0]=4 1470 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [1,0,0,0,1,0|2,0,0]=4 1471 B8R1.7 O=C(O)C1=CC=CN1 15698 [1,0,0,0,1,0|2,0,0]=4 1472 B8R1.7 O=C(O)C1=CC=CO1 6946 [1,0,0,0,1,0|2,0,0]=4 1473 B8R1.7 O=C(O)C1=CC=CS1 5157 [1,0,0,0,1,0|2,0,0]=4 1474 B8R1.7 O=C(O)C1=CNC=C1 8345 [1,0,0,0,1,0|2,0,0]=4 1475 B8R1.7 O=C(O)C1=COC=C1 6945 [1,0,0,0,1,0|2,0,0]=4 1476 B8R1.7 O=C(O)C1=CSC=C1 7735 [1,0,0,0,1,0|2,0,0]=4 1477 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [1,0,0,0,1,0|1,0,1]=4 1478 B8R1.7 O=C([O-])C1=CC=CS1 32366 [1,0,0,0,1,0|2,0,0]=4 1479 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [0,0,0,0,0,2|0,0,2]=4 1480 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,0,0,0,0,2|1,0,0]=3 1481 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,0,0,0,0,2|1,0,0]=3 1482 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,0,0,0,0,2|1,0,0]=3 1483 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,0,0,0,0,2|1,0,0]=3 1484 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,0,0,0,0,2|1,0,0]=3 1485 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,0,0,0,0,2|2,0,0]=4 1486 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,0,0,0,0,2|1,0,0]=3 1487 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,0,0,0,0,2|1,0,0]=3 1488 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,0,0,0,0,2|1,0,0]=3 1489 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,0,0,0,0,2|2,0,0]=4