0 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,0,0,0,0|0,0,1]=1 13 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,0,0,0,0,0|0,1,0]=1 17 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 O=C=NC1=CC=CN=C1 14441 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|1,1,1]=4 45 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|1,1,1]=4 46 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|1,1,1]=4 47 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,1,0,0,0,0|0,1,0]=2 64 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 33252 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 14266 [0,1,0,0,0,0|2,1,0]=4 67 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 10059 [0,1,0,0,0,0|2,1,0]=4 68 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,1,0,0,0,0|0,0,0]=1 71 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,1,0,0,0,0|0,0,0]=1 74 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,1,0,0,0,0|0,0,0]=1 78 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,1,0,0,0,0|0,0,1]=2 84 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,0,0|0,0,0]=1 94 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.40 COC(=O)CC1=NC=CN=C1 27419 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,1,0,0,0,0|2,1,0]=4 107 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 9601 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 26792 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 26790 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 14267 [0,1,0,0,0,0|2,1,0]=4 125 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,1,0,0,0,0|0,0,0]=1 126 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,1,0,0,0,0|0,0,0]=1 128 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.157 CC(=O)NC1=CC(Br)=CN=C1 20022 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 12418 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 33253 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 14268 [0,1,0,0,0,0|2,1,0]=4 148 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,1,0,0,0,0|0,0,0]=1 151 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,1,0,0,0,0|0,0,0]=1 152 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 22292 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 11286 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.509 NS(=O)(=O)CC1=CC=CN=C1 19057 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 14039 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 5036 [0,1,0,0,0,0|1,0,1]=3 164 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,0|2,0,1]=4 165 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,0|2,0,1]=4 166 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,0|2,0,1]=4 167 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,0|2,0,1]=4 168 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [0,0,0,1,0,0|1,0,1]=3 169 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 16113 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [0,0,0,1,0,0|2,0,0]=3 172 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,0,1,0,0|2,0,0]=3 173 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [0,0,0,1,0,0|2,0,1]=4 174 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [0,0,0,1,0,0|2,0,0]=3 176 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [0,0,0,1,0,0|2,1,0]=4 177 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,0,0,1,0,0|2,0,1]=4 178 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 7598 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [0,0,0,1,0,0|2,0,0]=3 180 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 21853 [0,0,0,1,0,0|2,1,0]=4 181 B11R2.10 ClC1=NC2=CC=CN=C2O1 33490 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.10 FC1=NC2=C(C=CC=C2)N1 13608 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.10 NC1=NC2=C(C=CC=C2)S1 13382 [0,0,0,1,0,0|2,1,0]=4 186 B11R2.10 NC1=NC2=C(C=CN=C2)O1 33487 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.10 NC1=NC2=C(C=NC=C2)O1 34279 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.10 NC1=NC2=CC=CN=C2O1 33489 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,0,0,1,0,0|2,0,1]=4 190 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,0,0,1,0,0|0,0,0]=1 192 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,0,1,0,0|1,0,0]=2 193 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,0,1,0,0|1,0,0]=2 194 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [0,0,0,1,0,0|2,0,0]=3 195 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [0,0,0,1,0,0|2,0,0]=3 196 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [0,0,0,1,0,0|2,0,0]=3 198 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [0,0,0,1,0,0|1,0,0]=2 199 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [0,0,0,1,0,0|1,1,0]=3 200 B11R2.10 O=C1NC2=CC=CN=C2N1 18669 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.10 OC1=CN2C=CC=CC2=N1 23702 [0,0,0,1,0,0|2,0,1]=4 203 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [0,0,0,1,0,0|2,0,0]=3 204 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,0,0,1,0,0|1,0,1]=3 205 B11R2.10 SC1=NC2=C(C=CC=C2)N1 13567 [0,0,0,1,0,0|2,1,0]=4 206 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [0,0,0,1,0,0|1,1,0]=3 207 B11R2.10 SC1=NC2=C(C=CC=C2)S1 20577 [0,0,0,1,0,0|1,2,0]=4 208 B11R2.10 SC1=NC2=NC=CC=C2O1 23120 [0,0,0,1,0,0|2,1,0]=4 209 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,0,0,1,0|2,0,0]=3 211 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,0,0,0,1,0|3,0,0]=4 212 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,0,0,0,1,0|2,0,0]=3 213 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [0,0,0,0,1,0|3,0,0]=4 217 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [0,0,0,0,1,0|3,0,0]=4 218 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [0,0,0,0,1,0|2,0,1]=4 219 B9R1.6 CC(N)C1=CC=CC=C1 21079 [0,0,0,0,1,0|2,0,1]=4 220 B9R1.6 CP(C)C1=CC=CC=C1 6420 [0,0,0,0,1,0|3,0,0]=4 221 B9R1.6 C[C@@H](N)c1ccccc1 6026 [0,0,0,0,1,0|2,0,1]=4 222 B9R1.6 C[C@@H](N)c1ccccc1 6060 [0,0,0,0,1,0|2,0,1]=4 223 B9R1.6 C[C@@H](N)c1ccccc1 9918 [0,0,0,0,1,0|2,0,1]=4 224 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [0,0,0,0,1,0|2,0,1]=4 225 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [0,0,0,0,1,0|2,0,1]=4 226 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,0,0,0,1,0|1,0,1]=3 227 B9R1.6 C[C@H](N)c1ccccc1 6025 [0,0,0,0,1,0|2,0,1]=4 228 B9R1.6 C[C@H](N)c1ccccc1 6061 [0,0,0,0,1,0|2,0,1]=4 229 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [0,0,0,0,1,0|2,0,1]=4 230 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,0,0,0,1,0|1,0,1]=3 231 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [0,0,0,0,1,0|3,0,0]=4 232 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [0,0,0,0,1,0|2,0,1]=4 233 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [0,0,0,0,1,0|3,0,0]=4 235 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [0,0,0,0,1,0|3,0,0]=4 236 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,0,0,0,1,0|3,0,0]=4 237 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,0,0,0,1,0|2,0,0]=3 238 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,0,0,0,1,0|1,1,0]=3 239 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,0,0,0,1,0|1,1,0]=3 240 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,0,0,0,1,0|1,0,0]=2 241 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,0,0,0,1,0|2,0,0]=3 242 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,0,0,0,1,0|2,0,0]=3 243 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [0,0,0,0,1,0|3,0,0]=4 244 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,0,0,0,1,0|2,0,0]=3 245 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,0,0,0,1,0|1,0,0]=2 248 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,0,0,0,1,0|1,0,0]=2 249 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,0,0,0,1,0|1,0,0]=2 252 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [0,0,0,0,1,0|2,0,0]=3 253 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,0,0,0,1,0|2,0,0]=3 254 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [0,0,0,0,1,0|2,0,0]=3 255 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,0,0,0,1,0|1,0,1]=3 256 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [0,0,0,0,1,0|2,0,1]=4 257 B9R1.6 OB(O)C1=CC=CC=C1 1753 [0,0,0,0,1,0|1,0,1]=3 258 B9R1.6 OB(O)C1=CC=CN=C1 2183 [0,0,0,0,1,0|2,0,1]=4 259 B9R1.6 OB(O)C1=CC=NC=C1 5145 [0,0,0,0,1,0|2,0,1]=4 260 B9R1.6 OB(O)C1=NC=CC=C1 4076 [0,0,0,0,1,0|2,0,1]=4 261 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,0,0,0,1,0|0,1,0]=2 262 B9R1.13 CC(=O)NC1=CC=CS1 5216 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,0,0,0,1,0|2,0,0]=3 264 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,0,0,0,1,0|1,0,0]=2 265 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,0,0,0,1,0|1,0,0]=2 266 B9R1.13 O=C(O)CC1=CSC=C1 5586 [0,0,0,0,1,0|1,0,0]=2 267 B9R1.13 O=C(O)CC1=NC=CN1 18001 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.13 O=C(O)CC1C=CCC1 31950 [0,0,0,0,1,0|0,0,3]=4 269 B9R1.13 O=C(O)CN1C=CN=C1 7609 [0,0,0,0,1,0|2,0,0]=3 270 B9R1.13 O=C(O)CN1C=CN=C1 8383 [0,0,0,0,1,0|2,0,0]=3 271 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,0,0,0,0,1|1,0,0]=2 272 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,0,0,0,0,1|1,0,0]=2 273 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [0,0,0,0,0,1|2,0,0]=3 274 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,0,0,0,0,1|2,0,0]=3 275 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [0,0,0,0,0,1|2,0,0]=3 276 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,0,0,0,0,1|3,0,0]=4 277 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,0,0,0,0,1|2,0,1]=4 278 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,0,0,0,0,1|1,0,1]=3 279 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,0,0,0,0,1|1,0,0]=2 280 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,0,0,0,0,1|1,0,0]=2 281 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [0,0,0,0,0,1|1,0,1]=3 282 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,0,0,0,0,1|1,0,0]=2 283 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,0,0,0,0,1|1,0,0]=2 284 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [0,0,0,0,0,1|1,0,0]=2 285 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [0,0,0,0,0,1|1,0,1]=3 286 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [0,0,0,0,0,1|1,0,1]=3 287 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [0,0,0,0,0,1|0,0,1]=2 288 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,0,0,0,0,1|0,0,0]=1 289 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [0,0,0,0,0,1|1,0,0]=2 290 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [0,0,0,0,0,1|1,0,0]=2 291 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,0,0,0,0,1|1,0,0]=2 292 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [0,0,0,0,0,1|0,0,1]=2 293 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [0,0,0,0,0,1|1,0,1]=3 294 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [0,0,0,0,0,1|1,0,1]=3 295 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [0,0,0,0,0,1|1,0,1]=3 296 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [0,0,0,0,0,1|0,0,2]=3 297 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,0,0,0,0,1|1,0,1]=3 298 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [0,0,0,0,0,1|1,0,2]=4 299 B11R1.91 OB(O)CCc1ccccc1 14049 [0,0,0,0,0,1|1,0,1]=3 300 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [0,0,0,0,0,1|1,0,2]=4 301 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 304 B8R1.2 C=CC1=NC=CC=C1 23910 [2,0,0,0,0,0|1,0,1]=4 305 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,1]=4 306 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,1]=4 307 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,1]=4 308 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 313 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,0]=3 314 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 O=CC1=CC=CN=C1 1124 [2,0,0,0,0,0|1,0,0]=3 319 B8R1.2 O=CC1=CC=CN=N1 23311 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 O=CC1=CC=NC=C1 11745 [2,0,0,0,0,0|1,0,0]=3 321 B8R1.2 O=CC1=CN=CN=C1 5298 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.2 O=CC1=NC=CC=C1 11741 [2,0,0,0,0,0|1,0,0]=3 323 B8R1.2 O=CC1=NC=CC=N1 23190 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.2 O=CC1=NC=CN=C1 32140 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|1,0,0]=3 326 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.2 OCC1=CN=CN=C1 9758 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.2 OCC1=NC=CC=N1 9757 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 OCC1=NC=CN=C1 32128 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 OCC1=NC=NC=C1 9756 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|0,1,0]=3 333 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|1,1,0]=4 334 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|1,1,0]=4 335 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|1,1,0]=4 336 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|0,0,1]=3 352 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.1 O=C=NC1=CC=C(Br)C=C1 23279 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.1 O=C=NC1=CC=C(F)C=C1 4996 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|0,0,0]=2 362 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|0,0,1]=3 366 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|0,0,1]=3 378 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.4 NNCc1ccccc1F 34909 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|0,0,1]=3 384 B10R1.4 O=C=NC1=C(F)C=CC=C1 4455 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|0,0,1]=3 387 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 3731 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.4 O\N=C\C1=C(F)C=CC=C1 28431 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|0,0,1]=3 399 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.10 O=C=NC1=CC(F)=CC=C1 4995 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.10 OC1=CC(\C=C\Br)=CC=C1 31891 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|0,0,1]=3 409 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|0,0,1]=3 410 B10R1.10 O\N=C\C1=CC(Br)=CC=C1 3732 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.15 N#CC(N)c1ccccc1 28208 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|0,0,1]=3 428 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|0,0,2]=4 431 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|0,0,1]=3 432 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [1,1,0,0,0,0|0,0,1]=3 448 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,1,0,0,0,0|0,0,2]=4 449 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|0,0,1]=3 450 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|0,0,1]=3 454 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,1,0,0,0,0|0,1,1]=4 455 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [0,1,0,0,1,0|2,0,0]=4 457 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,1,0,0,1,0|1,0,0]=3 458 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,1,0,0,1,0|1,0,0]=3 459 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,1,0,0,1,0|1,0,0]=3 460 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,1,0,0,1,0|1,0,0]=3 461 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,1,0,0,1,0|1,0,0]=3 462 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,1,0,0,1,0|1,0,0]=3 463 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,1,0,0,1,0|1,0,0]=3 464 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,1,0,0,1,0|2,0,0]=4 466 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,1,0,0,1,0|2,0,0]=4 467 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,1,0,0,1,0|2,0,0]=4 468 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,1,0,0,1,0|2,0,0]=4 471 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [0,1,0,0,1,0|1,0,1]=4 472 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [0,1,0,0,1,0|1,0,1]=4 473 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [0,1,0,0,1,0|1,0,1]=4 474 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [0,1,0,0,1,0|1,0,0]=3 475 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [0,1,0,0,1,0|0,0,0]=2 476 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [0,1,0,0,1,0|0,1,0]=3 479 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [0,1,0,0,1,0|1,0,0]=3 480 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [0,1,0,0,1,0|1,0,1]=4 481 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [0,1,0,0,1,0|1,0,0]=3 483 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [0,1,0,0,1,0|1,0,0]=3 486 B10R1.13 CC1=NC=C(C(=O)O)C=N1 13290 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [0,1,0,0,1,0|1,0,1]=4 488 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [0,1,0,0,1,0|1,0,1]=4 489 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [0,1,0,0,1,0|1,0,1]=4 490 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [0,1,0,0,1,0|1,0,1]=4 492 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [0,1,0,0,1,0|1,0,1]=4 493 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [0,1,0,0,1,0|2,0,0]=4 495 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [0,1,0,0,1,0|2,0,0]=4 498 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,1,0,0,1,0|1,0,0]=3 499 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,1,0,0,1,0|1,0,0]=3 500 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,1,0,0,1,0|1,0,0]=3 502 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [0,1,0,0,1,0|1,1,0]=4 504 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [0,1,0,0,1,0|1,1,0]=4 505 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [0,1,0,0,1,0|1,1,0]=4 506 B10R1.13 NC1=CC=C(B(O)O)C=C1 17155 [0,1,0,0,1,0|1,0,1]=4 507 B10R1.13 NC1=CC=C(B(O)O)C=C1 1747 [0,1,0,0,1,0|1,0,1]=4 508 B10R1.13 NC1=CC=C(B(O)O)C=C1 6329 [0,1,0,0,1,0|1,0,1]=4 509 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [0,1,0,0,1,0|0,0,0]=2 510 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [0,1,0,0,1,0|1,0,1]=4 511 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.13 NC1=CN=C(C(=O)O)C=N1 7866 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [0,1,0,0,1,0|1,0,0]=3 515 B10R1.13 NC1=NC=C(C(=O)O)C=N1 18198 [0,1,0,0,1,0|2,0,0]=4 516 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [0,1,0,0,1,0|1,0,0]=3 518 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [0,1,0,0,1,0|1,0,0]=3 519 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [0,1,0,0,1,0|1,0,0]=3 520 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [0,1,0,0,1,0|2,0,0]=4 522 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [0,1,0,0,1,0|0,0,0]=2 523 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [0,1,0,0,1,0|0,0,0]=2 524 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 17692 [0,1,0,0,1,0|2,0,0]=4 525 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [0,1,0,0,1,0|0,0,0]=2 526 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [0,1,0,0,1,0|0,0,0]=2 527 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [0,1,0,0,1,0|0,0,0]=2 528 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [0,1,0,0,1,0|0,0,0]=2 530 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [0,1,0,0,1,0|1,0,0]=3 531 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [0,1,0,0,1,0|1,0,0]=3 532 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 29068 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [0,1,0,0,1,0|1,0,0]=3 534 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,1,0,0,1,0|1,0,0]=3 535 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [0,1,0,0,1,0|1,0,0]=3 536 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 16922 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 29199 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 24823 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [0,1,0,0,1,0|1,0,0]=3 542 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,1,0,0,1,0|1,0,0]=3 543 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [0,1,0,0,1,0|1,0,1]=4 545 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [0,1,0,0,1,0|1,0,1]=4 546 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [0,1,0,0,1,0|1,0,1]=4 547 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [0,1,0,0,1,0|1,0,1]=4 548 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [0,1,0,0,1,0|1,0,1]=4 549 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [0,1,0,0,1,0|1,0,1]=4 550 B10R1.13 OB(O)C1=CC=C(Br)C=C1 1763 [0,1,0,0,1,0|1,0,1]=4 551 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 1798 [0,1,0,0,1,0|1,0,1]=4 552 B10R1.13 OB(O)C1=CC=C(F)C=C1 1858 [0,1,0,0,1,0|1,0,1]=4 553 B10R1.13 OB(O)C1=CC=C(I)C=C1 6160 [0,1,0,0,1,0|1,0,1]=4 554 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [0,1,0,0,1,0|1,0,1]=4 555 B10R1.13 OB(O)C1=CC=C(S)C=C1 1862 [0,1,0,0,1,0|1,0,1]=4 556 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [0,1,0,0,1,0|1,0,1]=4 557 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 6464 [0,1,0,0,1,0|2,0,0]=4 558 B10R1.28 O=P(O)(O)C1=CC=CC=C1 21303 [0,1,0,0,1,0|1,0,0]=3 559 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 10441 [0,1,0,0,1,0|1,0,1]=4 560 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 14507 [0,1,0,0,1,0|1,0,1]=4 561 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 9608 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 21767 [0,1,0,0,1,0|1,0,1]=4 563 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [0,1,0,0,1,0|1,0,0]=3 567 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [0,1,0,0,1,0|2,0,0]=4 571 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [0,1,0,0,1,0|2,0,0]=4 572 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.61 CC1=C(B(O)O)C=CC=C1 1871 [0,1,0,0,1,0|1,0,1]=4 578 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [0,1,0,0,1,0|1,0,0]=3 579 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [0,1,0,0,1,0|1,0,0]=3 580 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [0,1,0,0,1,0|0,1,0]=3 582 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [0,1,0,0,1,0|1,0,0]=3 583 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [0,1,0,0,1,0|0,0,0]=2 584 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [0,1,0,0,1,0|1,0,0]=3 585 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [0,1,0,0,1,0|1,0,1]=4 588 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [0,1,0,0,1,0|1,0,1]=4 589 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [0,1,0,0,1,0|1,0,1]=4 590 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [0,1,0,0,1,0|1,0,1]=4 591 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [0,1,0,0,1,0|1,0,1]=4 592 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [0,1,0,0,1,0|1,0,1]=4 593 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [0,1,0,0,1,0|2,0,0]=4 595 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.61 NC(=O)C1=C(F)C=NC=C1 15252 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [0,1,0,0,1,0|1,0,0]=3 599 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [0,1,0,0,1,0|2,0,0]=4 600 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [0,1,0,0,1,0|1,0,0]=3 601 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [0,1,0,0,1,0|1,0,0]=3 602 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [0,1,0,0,1,0|2,0,0]=4 603 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [0,1,0,0,1,0|2,0,0]=4 604 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.61 NC(=O)c1cccnc1Br 10860 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.61 NC1=C(B(O)O)C=CC=C1 1746 [0,1,0,0,1,0|1,0,1]=4 607 B10R1.61 NC1=C(B(O)O)C=CC=C1 9885 [0,1,0,0,1,0|1,0,1]=4 608 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [0,1,0,0,1,0|1,0,0]=3 609 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [0,1,0,0,1,0|1,0,0]=3 610 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [0,1,0,0,1,0|1,0,0]=3 611 B10R1.61 NC1=C(C(=O)O)N=NC=C1 19684 [0,1,0,0,1,0|2,0,0]=4 612 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [0,1,0,0,1,0|1,0,0]=3 613 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [0,1,0,0,1,0|1,0,0]=3 614 B10R1.61 NC1=NC=CN=C1C(=O)O 8544 [0,1,0,0,1,0|2,0,0]=4 615 B10R1.61 NC1=NC=NC=C1C(=O)O 21834 [0,1,0,0,1,0|2,0,0]=4 616 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [0,1,0,0,1,0|1,0,0]=3 617 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [0,1,0,0,1,0|2,0,0]=4 618 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [0,1,0,0,1,0|1,0,0]=3 619 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [0,1,0,0,1,0|0,0,0]=2 620 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [0,1,0,0,1,0|1,0,0]=3 621 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [0,1,0,0,1,0|1,0,0]=3 622 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [0,1,0,0,1,0|1,0,0]=3 623 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [0,1,0,0,1,0|0,0,0]=2 625 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [0,1,0,0,1,0|1,0,0]=3 626 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [0,1,0,0,1,0|1,0,0]=3 627 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [0,1,0,0,1,0|1,0,0]=3 628 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [0,1,0,0,1,0|0,0,0]=2 629 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [0,1,0,0,1,0|1,0,0]=3 630 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [0,1,0,0,1,0|1,0,0]=3 631 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [0,1,0,0,1,0|1,0,0]=3 632 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [0,1,0,0,1,0|1,0,0]=3 633 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [0,1,0,0,1,0|0,0,0]=2 634 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [0,1,0,0,1,0|1,0,0]=3 635 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [0,1,0,0,1,0|1,0,0]=3 636 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [0,1,0,0,1,0|1,0,0]=3 637 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [0,1,0,0,1,0|1,0,0]=3 638 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [0,1,0,0,1,0|1,0,0]=3 639 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [0,1,0,0,1,0|1,0,0]=3 640 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [0,1,0,0,1,0|1,0,0]=3 641 B10R1.61 O=C(O)C1=NC=CN=C1Br 32152 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.61 O=C(O)C1=NC=CN=C1Cl 19770 [0,1,0,0,1,0|2,0,0]=4 643 B10R1.61 O=C(O)C1=NC=CN=C1I 32124 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [0,1,0,0,1,0|0,0,1]=3 646 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [0,1,0,0,1,0|1,0,1]=4 647 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2063 [0,1,0,0,1,0|1,0,1]=4 648 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 3952 [0,1,0,0,1,0|1,0,1]=4 649 B10R1.61 O=[N+]([O-])c1ccccc1Cl 18481 [0,1,0,0,1,0|1,0,1]=4 650 B10R1.61 O=[N+]([O-])c1ccccc1F 28476 [0,1,0,0,1,0|1,0,1]=4 651 B10R1.61 OB(O)C1=C(Br)C=CC=C1 13095 [0,1,0,0,1,0|1,0,1]=4 652 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 1797 [0,1,0,0,1,0|1,0,1]=4 653 B10R1.61 OB(O)C1=C(F)C=CC=C1 1856 [0,1,0,0,1,0|1,0,1]=4 654 B10R1.61 OB(O)C1=C(I)C=CC=C1 34200 [0,1,0,0,1,0|1,0,1]=4 655 B10R1.61 OB(O)C1=C(O)C=CC=C1 9522 [0,1,0,0,1,0|1,0,1]=4 656 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [0,1,0,0,1,0|2,0,0]=4 658 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [0,1,0,0,1,0|1,0,0]=3 659 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [0,1,0,0,1,0|1,0,0]=3 661 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [0,1,0,0,1,0|2,0,0]=4 663 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [0,1,0,0,1,0|2,0,0]=4 665 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [0,1,0,0,1,0|1,0,0]=3 667 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [0,1,0,0,1,0|1,0,0]=3 668 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [0,1,0,0,1,0|2,0,0]=4 669 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [0,1,0,0,1,0|2,0,0]=4 670 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [0,1,0,0,1,0|2,0,0]=4 671 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [0,1,0,0,1,0|2,0,0]=4 672 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [0,1,0,0,1,0|1,0,1]=4 673 B10R1.113 CC1=CC(B(O)O)=CC=C1 1872 [0,1,0,0,1,0|1,0,1]=4 674 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [0,1,0,0,1,0|0,0,0]=2 676 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [0,1,0,0,1,0|1,0,0]=3 678 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [0,1,0,0,1,0|1,0,0]=3 679 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [0,1,0,0,1,0|1,0,0]=3 680 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [0,1,0,0,1,0|0,1,0]=3 681 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [0,1,0,0,1,0|1,0,0]=3 683 B10R1.113 CC1=NC=CC(C(=O)O)=N1 25613 [0,1,0,0,1,0|2,0,0]=4 684 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [0,1,0,0,1,0|1,0,1]=4 685 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [0,1,0,0,1,0|1,0,1]=4 686 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [0,1,0,0,1,0|1,0,1]=4 687 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [0,1,0,0,1,0|1,0,1]=4 690 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [0,1,0,0,1,0|2,0,0]=4 691 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [0,1,0,0,1,0|1,0,0]=3 693 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 16641 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [0,1,0,0,1,0|1,0,0]=3 695 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 16074 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [0,1,0,0,1,0|1,0,0]=3 697 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [0,1,0,0,1,0|1,0,0]=3 698 B10R1.113 NC(=O)C1=CC(N)=NC=C1 16603 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 1212 [0,1,0,0,1,0|2,0,0]=4 700 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 9223 [0,1,0,0,1,0|2,0,0]=4 701 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [0,1,0,0,1,0|2,0,0]=4 702 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [0,1,0,0,1,0|1,1,0]=4 703 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [0,1,0,0,1,0|1,1,0]=4 704 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [0,1,0,0,1,0|1,0,0]=3 706 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 24745 [0,1,0,0,1,0|1,0,1]=4 707 B10R1.113 NC1=CC=CC(B(O)O)=C1 1751 [0,1,0,0,1,0|1,0,1]=4 708 B10R1.113 NC1=CC=CC(B(O)O)=C1 20396 [0,1,0,0,1,0|1,0,1]=4 709 B10R1.113 NC1=CC=CC(B(O)O)=C1 23780 [0,1,0,0,1,0|1,0,1]=4 710 B10R1.113 NC1=CC=CC(B(O)O)=C1 4016 [0,1,0,0,1,0|1,0,1]=4 711 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [0,1,0,0,1,0|1,0,0]=3 712 B10R1.113 NC1=CN=CC(C(=O)O)=N1 32113 [0,1,0,0,1,0|2,0,0]=4 713 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [0,1,0,0,1,0|1,0,0]=3 714 B10R1.113 NC1=NC=CC(C(=O)O)=N1 29010 [0,1,0,0,1,0|2,0,0]=4 715 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [0,1,0,0,1,0|1,0,0]=3 716 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 16064 [0,1,0,0,1,0|2,0,0]=4 717 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [0,1,0,0,1,0|1,0,0]=3 718 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [0,1,0,0,1,0|0,0,0]=2 719 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [0,1,0,0,1,0|1,0,0]=3 720 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [0,1,0,0,1,0|0,0,0]=2 721 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [0,1,0,0,1,0|1,0,0]=3 722 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [0,1,0,0,1,0|0,0,0]=2 723 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [0,1,0,0,1,0|1,0,0]=3 724 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [0,1,0,0,1,0|0,0,0]=2 725 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [0,1,0,0,1,0|1,0,0]=3 726 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [0,1,0,0,1,0|0,0,0]=2 727 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [0,1,0,0,1,0|1,0,0]=3 728 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [0,1,0,0,1,0|0,0,0]=2 729 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,1,0,0,1,0|1,0,0]=3 730 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,1,0,0,1,0|1,0,0]=3 731 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [0,1,0,0,1,0|1,0,0]=3 732 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [0,1,0,0,1,0|1,0,0]=3 733 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [0,1,0,0,1,0|1,0,0]=3 734 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [0,1,0,0,1,0|1,0,0]=3 735 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [0,1,0,0,1,0|1,0,0]=3 736 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 27951 [0,1,0,0,1,0|2,0,0]=4 737 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 34398 [0,1,0,0,1,0|2,0,0]=4 738 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 16687 [0,1,0,0,1,0|2,0,0]=4 739 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 21879 [0,1,0,0,1,0|2,0,0]=4 740 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [0,1,0,0,1,0|1,0,0]=3 741 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [0,1,0,0,1,0|1,0,0]=3 742 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [0,1,0,0,1,0|1,0,0]=3 743 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [0,1,0,0,1,0|1,0,0]=3 744 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [0,1,0,0,1,0|1,0,0]=3 745 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 22102 [0,1,0,0,1,0|2,0,0]=4 746 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [0,1,0,0,1,0|1,0,0]=3 747 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [0,1,0,0,1,0|1,0,0]=3 748 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 23631 [0,1,0,0,1,0|2,0,0]=4 749 B10R1.113 O=C(O)C1=NC=NC(O)=C1 12436 [0,1,0,0,1,0|2,0,0]=4 750 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 26798 [0,1,0,0,1,0|1,0,1]=4 751 B10R1.113 O=C1C=C(C(=O)O)C=NN1 22764 [0,1,0,0,1,0|2,0,0]=4 752 B10R1.113 O=C1N=CC=C(C(=O)O)N1 34394 [0,1,0,0,1,0|2,0,0]=4 753 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 3820 [0,1,0,0,1,0|1,0,1]=4 754 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 10642 [0,1,0,0,1,0|1,0,1]=4 755 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 3954 [0,1,0,0,1,0|1,0,1]=4 756 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 17999 [0,1,0,0,1,0|1,0,1]=4 757 B10R1.113 OB(O)C1=CC(Br)=CC=C1 1758 [0,1,0,0,1,0|1,0,1]=4 758 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 1785 [0,1,0,0,1,0|1,0,1]=4 759 B10R1.113 OB(O)C1=CC(F)=CC=C1 1857 [0,1,0,0,1,0|1,0,1]=4 760 B10R1.113 OB(O)C1=CC(I)=CC=C1 6224 [0,1,0,0,1,0|1,0,1]=4 761 B10R1.113 OB(O)C1=CC(O)=CC=C1 1728 [0,1,0,0,1,0|1,0,1]=4 762 B10R1.113 OB(O)C1=CC(S)=CC=C1 1861 [0,1,0,0,1,0|1,0,1]=4 763 B10R1.113 OB(O)C1=CC(S)=CC=C1 23980 [0,1,0,0,1,0|1,0,1]=4 764 B10R1.23 CC(C(=O)O)N1C=CN=C1 8051 [0,1,0,0,1,0|2,0,0]=4 765 B10R1.23 NC(C(=O)O)C1=CC=CO1 35017 [0,1,0,0,1,0|1,0,0]=3 766 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,1,0,0,1,0|1,0,0]=3 767 B10R1.23 N[C@@H](C(=O)O)c1ccsc1 29914 [0,1,0,0,1,0|1,0,0]=3 768 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,1,0,0,1,0|1,0,0]=3 769 B10R1.23 N[C@H](C(=O)O)c1ccsc1 29913 [0,1,0,0,1,0|1,0,0]=3 770 B10R1.23 O=C(O)C(=O)C1=CC=CS1 5576 [0,1,0,0,1,0|1,0,1]=4 771 B10R1.23 O=C(O)C(O)C1=CC=CS1 23764 [0,1,0,0,1,0|1,0,0]=3 772 B10R1.54 NC1=NC(CC(=O)O)=CS1 20693 [0,1,0,0,1,0|2,0,0]=4 773 B10R1.54 NC1=NC(CC(=O)O)=CS1 30319 [0,1,0,0,1,0|2,0,0]=4 774 B10R1.64 CC1=NC=CN1CC(=O)O 35696 [0,1,0,0,1,0|2,0,0]=4 775 B10R1.64 CN1C=CC=C1CC(=O)O 15041 [0,1,0,0,1,0|1,0,0]=3 776 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,1,0,0,0,1|1,0,0]=3 777 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [0,1,0,0,0,1|0,0,1]=3 778 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,1,0,0,0,1|0,0,0]=2 779 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,1,0,0,0,1|0,0,0]=2 780 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 28158 [0,1,0,0,0,1|1,0,1]=4 781 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,1,0,0,0,1|0,0,0]=2 782 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,1,0,0,0,1|0,0,0]=2 783 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,1,0,0,0,1|0,0,0]=2 784 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [0,1,0,0,0,1|0,0,1]=3 785 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [0,1,0,0,0,1|0,0,1]=3 786 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [0,1,0,0,0,1|0,0,1]=3 787 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [0,1,0,0,0,1|0,0,1]=3 788 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [0,1,0,0,0,1|0,0,1]=3 789 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [0,1,0,0,0,1|1,0,0]=3 790 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,1,0,0,0,1|0,0,0]=2 791 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,1,0,0,0,1|0,0,0]=2 792 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,1,0,0,0,1|0,0,0]=2 793 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,1,0,0,0,1|0,0,1]=3 794 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,1,0,0,0,1|1,0,0]=3 795 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,1,0,0,0,1|1,0,0]=3 796 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,1,0,0,0,1|1,0,0]=3 797 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,1,0,0,0,1|1,0,0]=3 798 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,1,0,0,0,1|1,0,0]=3 799 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,1,0,0,0,1|0,0,0]=2 800 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,1,0,0,0,1|1,0,1]=4 801 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,1,0,0,0,1|0,0,0]=2 802 B12R1.43 C[C@@H](NC1=NC=CC=C1)C(=O)O 5694 [0,1,0,0,0,1|1,0,0]=3 803 B12R1.43 C[C@H](NC1=NC=CN=C1)C(=O)O 17990 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,1,0,0,0,1|0,0,1]=3 805 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,1|1,0,0]=3 806 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,1|1,0,0]=3 807 B12R1.43 NC(CC1=CC=CC=C1)B(O)O 33620 [0,1,0,0,0,1|1,0,1]=4 808 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,1,0,0,0,1|0,0,0]=2 809 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [0,1,0,0,0,1|1,0,0]=3 810 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33651 [0,1,0,0,0,1|1,0,1]=4 811 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33652 [0,1,0,0,0,1|1,0,1]=4 812 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,1,0,0,0,1|0,0,0]=2 813 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,1,0,0,0,1|0,0,0]=2 814 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [0,1,0,0,0,1|1,0,0]=3 815 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [0,1,0,0,0,1|1,0,0]=3 816 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [0,1,0,0,0,1|1,0,0]=3 817 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [0,1,0,0,0,1|1,0,0]=3 818 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,1,0,0,0,1|0,0,0]=2 819 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [0,1,0,0,0,1|1,0,0]=3 820 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [0,1,0,0,0,1|1,0,0]=3 821 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,1,0,0,0,1|0,0,0]=2 822 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,1,0,0,0,1|0,0,0]=2 823 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,1,0,0,0,1|0,0,0]=2 824 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [0,1,0,0,0,1|1,0,0]=3 827 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [0,1,0,0,0,1|1,0,0]=3 828 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 19303 [0,1,0,0,0,1|1,0,0]=3 829 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [0,1,0,0,0,1|0,0,0]=2 830 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 13900 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [0,1,0,0,0,1|0,0,0]=2 832 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 15111 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 15101 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 15116 [0,1,0,0,0,1|1,0,0]=3 835 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [0,1,0,0,0,1|0,0,0]=2 836 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [0,1,0,0,0,1|0,0,0]=2 837 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [0,1,0,0,0,1|0,0,0]=2 838 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 15114 [0,1,0,0,0,1|1,0,0]=3 839 B12R1.107 N[C@H](CC(=O)O)C1=CC=NC=C1 15103 [0,1,0,0,0,1|1,0,0]=3 840 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 15113 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [0,1,0,0,0,1|1,0,1]=4 842 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,1,0,0,0,1|0,0,0]=2 843 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,1,0,0,0,1|0,0,0]=2 844 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [0,1,0,0,0,1|0,0,1]=3 845 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 18315 [0,1,0,0,0,1|1,0,1]=4 846 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,1,0,0,0,1|0,0,0]=2 847 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,1,0,0,0,1|0,0,0]=2 848 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [0,1,0,0,0,1|0,0,0]=2 849 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [0,1,0,0,0,1|0,0,0]=2 850 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [0,1,0,0,0,1|0,0,1]=3 851 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [0,1,0,0,0,1|0,0,1]=3 852 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [0,1,0,0,0,1|0,0,1]=3 853 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [0,1,0,0,0,1|0,0,1]=3 854 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [0,1,0,0,0,1|0,0,0]=2 855 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [0,1,0,0,0,1|0,0,0]=2 856 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [0,1,0,0,0,1|0,0,0]=2 857 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [0,1,0,0,0,1|0,0,0]=2 858 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [0,1,0,0,0,1|0,0,0]=2 859 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [0,1,0,0,0,1|0,0,1]=3 860 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [0,1,0,0,0,1|0,0,1]=3 861 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [0,1,0,0,0,1|0,0,1]=3 862 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [0,1,0,0,0,1|0,0,1]=3 863 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [0,1,0,0,0,1|0,0,1]=3 864 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 31402 [0,1,0,0,0,1|1,0,1]=4 865 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 13216 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.4 CC(=O)Nc1ccc(C=O)cc1 7786 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,2,0,0,0,0|0,0,0]=2 870 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [0,2,0,0,0,0|0,0,0]=2 872 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [0,2,0,0,0,0|0,0,0]=2 873 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [0,2,0,0,0,0|0,0,0]=2 874 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [0,2,0,0,0,0|0,0,0]=2 875 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [0,2,0,0,0,0|0,0,0]=2 876 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 35738 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.19 CC(=O)OC1=CC(Br)=C(Cl)C=C1 3056 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 24119 [0,2,0,0,0,0|0,0,0]=2 879 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 10440 [0,2,0,0,0,0|0,0,0]=2 880 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 28862 [0,2,0,0,0,0|0,0,0]=2 881 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 5864 [0,2,0,0,0,0|0,0,0]=2 882 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 31506 [0,2,0,0,0,0|0,0,0]=2 883 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [0,2,0,0,0,0|0,0,0]=2 884 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 16866 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 31765 [0,2,0,0,0,0|0,0,0]=2 886 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 15175 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 31528 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 20195 [0,2,0,0,0,0|0,0,0]=2 889 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 4260 [0,2,0,0,0,0|0,0,0]=2 890 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [0,2,0,0,0,0|0,0,0]=2 891 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 35106 [0,2,0,0,0,0|0,0,0]=2 892 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 4154 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 31430 [0,2,0,0,0,0|0,0,0]=2 895 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26176 [0,2,0,0,0,0|0,0,0]=2 896 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [0,2,0,0,0,0|0,0,0]=2 897 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [0,2,0,0,0,0|0,0,0]=2 899 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [0,2,0,0,0,0|0,0,0]=2 901 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,2,0,0,0,0|0,0,0]=2 902 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [0,2,0,0,0,0|0,0,0]=2 903 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [0,2,0,0,0,0|0,0,0]=2 904 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [0,2,0,0,0,0|0,0,0]=2 905 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,2,0,0,0,0|0,0,0]=2 907 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [0,2,0,0,0,0|0,0,0]=2 908 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [0,2,0,0,0,0|0,0,0]=2 909 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [0,2,0,0,0,0|0,0,1]=3 910 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,2,0,0,0,0|0,0,0]=2 911 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,2,0,0,0,0|0,0,0]=2 912 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,2,0,0,0,0|0,0,0]=2 913 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,2,0,0,0,0|0,0,0]=2 914 B12R1.49 COC(=O)CC1=CCN(C)C=C1 13711 [0,2,0,0,0,0|1,0,1]=4 915 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,2,0,0,0,0|1,0,1]=4 916 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,2,0,0,0,0|1,0,1]=4 917 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 8401 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 5631 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Br)C=C1 2155 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Cl)C=C1 5503 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 10056 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 14886 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 31490 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 4174 [0,2,0,0,0,0|0,0,0]=2 925 B12R1.233 Cc1ccc(CC(=O)O)c(C)c1 26355 [0,2,0,0,0,0|0,0,0]=2 926 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 28844 [0,2,0,0,0,0|0,0,0]=2 927 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 11165 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 2703 [0,2,0,0,0,0|0,0,0]=2 929 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 31433 [0,2,0,0,0,0|0,0,0]=2 930 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 15026 [0,2,0,0,0,0|0,0,0]=2 931 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 2710 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 13742 [0,2,0,0,0,0|0,0,0]=2 933 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 4292 [0,2,0,0,0,0|0,0,0]=2 934 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 4093 [0,2,0,0,0,0|0,0,0]=2 935 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 4194 [0,2,0,0,0,0|0,0,0]=2 936 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 31469 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 15519 [0,2,0,0,0,0|0,0,0]=2 938 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 9267 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 20242 [0,2,0,0,0,0|0,0,1]=3 940 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 19449 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,2,0,0,0,0|0,0,0]=2 942 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,2,0,0,0,0|0,0,0]=2 945 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,2,0,0,0,0|0,0,0]=2 946 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,2,0,0,0,0|0,0,0]=2 947 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 23462 [0,2,0,0,0,0|0,0,0]=2 950 B12R1.124 NC(C(=O)O)C1=C(Br)C=CC=C1 31443 [0,2,0,0,0,0|0,0,0]=2 951 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 12338 [0,2,0,0,0,0|0,0,0]=2 952 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 19644 [0,2,0,0,0,0|0,0,0]=2 953 B12R1.124 N[C@@H](C(=O)O)c1ccccc1Cl 12292 [0,2,0,0,0,0|0,0,0]=2 954 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 5744 [0,2,0,0,0,0|0,0,0]=2 955 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 22144 [0,2,0,0,0,0|0,0,0]=2 956 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 23671 [0,2,0,0,0,0|0,0,0]=2 957 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 15895 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 5743 [0,2,0,0,0,0|0,0,0]=2 959 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 5742 [0,2,0,0,0,0|0,0,0]=2 960 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 23445 [0,2,0,0,0,0|0,0,0]=2 961 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 33782 [0,2,0,0,0,0|0,0,0]=2 962 B12R1.225 NC(C(=O)O)C1=CC(Br)=CC=C1 25471 [0,2,0,0,0,0|0,0,0]=2 963 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 20741 [0,2,0,0,0,0|0,0,0]=2 964 B12R1.225 N[C@H](C(=O)O)C1=CC(Br)=CC=C1 30161 [0,2,0,0,0,0|0,0,0]=2 965 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 44765 [0,2,0,0,0,0|0,0,0]=2 966 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 25302 [0,2,0,0,0,0|0,0,0]=2 967 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 25304 [0,2,0,0,0,0|0,0,0]=2 968 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 19618 [0,2,0,0,0,0|0,0,0]=2 969 B12R1.478 CC[C@H](C(=O)O)c1ccccc1 9874 [0,2,0,0,0,0|0,0,0]=2 970 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 16164 [0,2,0,0,0,0|0,0,0]=2 971 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,2,0,0,0,0|0,0,0]=2 972 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [0,2,0,0,0,0|0,0,0]=2 982 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [0,2,0,0,0,0|0,0,0]=2 983 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 25850 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 8398 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [0,2,0,0,0,0|0,0,2]=4 986 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 8396 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.75 CC(=O)OC1=C(C#N)C=CC=C1 13326 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 23387 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 3319 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 28857 [0,2,0,0,0,0|0,0,0]=2 992 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 22177 [0,2,0,0,0,0|0,0,0]=2 993 B12R1.127 CC(=O)NC1=C(I)C=CC(F)=C1 31770 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.127 CC(=O)NC1=C(O)C=CC(C)=C1 2366 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.127 CC1=C(CC(=O)O)C=C(Br)C=C1 31473 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.127 CC1=CC(CC(=O)O)=C(Br)C=C1 31486 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 22525 [0,2,0,0,0,0|0,0,0]=2 998 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 24114 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 12486 [0,2,0,0,0,0|0,0,0]=2 1000 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 16327 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Br)=C1 31534 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 2711 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 2706 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 7141 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 4151 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 31442 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.151 O=S(=O)(Cl)CC1=C(Cl)C=CC=C1 5500 [0,2,0,0,0,0|1,0,1]=4 1008 B12R1.151 O=S(=O)(Cl)CC1=C(F)C=CC=C1 10055 [0,2,0,0,0,0|1,0,1]=4 1009 B12R1.224 CC1=C(CC(=O)O)C=CC=C1Br 31487 [0,2,0,0,0,0|0,0,0]=2 1010 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F 24112 [0,2,0,0,0,0|0,0,0]=2 1011 B12R1.224 CC1=C(CC(=O)O)C=CC=C1I 31545 [0,2,0,0,0,0|0,0,0]=2 1012 B12R1.224 CC1=CC=CC(CC(=O)O)=C1Br 31485 [0,2,0,0,0,0|0,0,0]=2 1013 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C 2466 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.224 O=C(O)CC1=C(Br)C(Cl)=CC=C1 31465 [0,2,0,0,0,0|0,0,0]=2 1015 B12R1.224 O=C(O)CC1=C(Cl)C(Br)=CC=C1 31467 [0,2,0,0,0,0|0,0,0]=2 1016 B12R1.224 O=C(O)CC1=C(Cl)C(Cl)=CC=C1 26145 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.224 O=C(O)CC1=C(Cl)C(F)=CC=C1 31456 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.224 O=C(O)CC1=C(F)C(Br)=CC=C1 31427 [0,2,0,0,0,0|0,0,0]=2 1019 B12R1.224 O=C(O)CC1=C(F)C(Cl)=CC=C1 7138 [0,2,0,0,0,0|0,0,0]=2 1020 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 1916 [0,2,0,0,0,0|0,0,0]=2 1021 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O 31501 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br 31422 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl 4323 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F 4254 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F 8397 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.1009 O=C(O)NC1=C(I)C=CN=C1Cl 16539 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 28863 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 31478 [0,2,0,0,0,0|0,0,0]=2 1029 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 31466 [0,2,0,0,0,0|0,0,0]=2 1030 B12R1.101 O=C(O)CC1=CC(Br)=CC(F)=C1 31477 [0,2,0,0,0,0|0,0,0]=2 1031 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 24116 [0,2,0,0,0,0|0,0,0]=2 1032 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 4266 [0,2,0,0,0,0|0,0,0]=2 1033 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 4160 [0,2,0,0,0,0|0,0,0]=2 1034 B12R1.119 CC1=CC(CS(=O)(=O)Cl)=CC=C1 5628 [0,2,0,0,0,0|1,0,1]=4 1035 B12R1.119 O=S(=O)(Cl)CC1=CC(Cl)=CC=C1 5501 [0,2,0,0,0,0|1,0,1]=4 1036 B12R1.119 O=S(=O)(Cl)CC1=CC(F)=CC=C1 10052 [0,2,0,0,0,0|1,0,1]=4 1037 B12R1.438 CC(=O)OC1=CC=CC(C=O)=C1 13227 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 19669 [0,2,0,0,0,0|0,0,0]=2 1039 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [0,2,0,0,0,0|1,0,0]=3 1040 B12R1.438 COC1=CC=CC(CC(O)=S)=C1 21122 [0,2,0,0,0,0|0,1,0]=3 1041 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 3321 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.438 COC1=CC=CC(OC(C)=O)=C1 3063 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 10658 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 28858 [0,2,0,0,0,0|0,0,0]=2 1045 B12R1.438 O=C(O)CC1=CC(CBr)=CC=C1 31428 [0,2,0,0,0,0|0,0,0]=2 1046 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 33684 [0,2,0,0,0,0|0,0,0]=2 1047 B10R1.66 O=C(O)CCc1cccs1 23928 [0,0,1,1,0,0|1,0,1]=4 1048 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [0,0,1,1,0,0|1,0,1]=4 1049 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [0,0,1,1,0,0|1,0,1]=4 1050 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|1,0,1]=4 1051 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|0,0,1]=3 1052 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|0,0,1]=3 1053 B10R2.7 B1OC2=C(C=CC=C2)O1 18191 [1,0,0,1,0,0|2,0,0]=4 1054 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,1,0,0|2,0,0]=4 1055 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,1,0,0|0,0,1]=3 1056 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [1,0,0,1,0,0|1,0,0]=3 1057 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|0,0,1]=3 1058 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|1,0,1]=4 1059 B10R2.7 C1=CC2=C(C=C1)SC=C2 13545 [1,0,0,1,0,0|0,1,1]=4 1060 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,0]=3 1061 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,1]=4 1062 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|2,0,0]=4 1063 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|2,0,0]=4 1064 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|2,0,0]=4 1065 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|1,0,1]=4 1066 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,1]=4 1067 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,0,0,1,0,1|0,0,1]=3 1068 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,1,0,1|1,0,0]=3 1069 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,1|1,0,0]=3 1070 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,0,1,0,1|1,0,0]=3 1071 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,0,1,0,1|1,0,0]=3 1072 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [0,0,0,1,0,1|1,0,1]=4 1073 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [0,0,0,1,0,1|1,0,1]=4 1074 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 14082 [0,0,0,1,0,1|1,0,1]=4 1075 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 14080 [0,0,0,1,0,1|1,0,1]=4 1076 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 21721 [0,1,0,1,0,0|1,1,0]=4 1077 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 8640 [0,1,0,1,0,0|2,0,0]=4 1078 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 17701 [0,1,0,1,0,0|2,0,0]=4 1079 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 32466 [0,1,0,1,0,0|1,0,1]=4 1080 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [0,1,0,1,0,0|1,0,0]=3 1081 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 33482 [0,1,0,1,0,0|2,0,0]=4 1082 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 27581 [0,1,0,1,0,0|2,0,0]=4 1083 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 24256 [0,1,0,1,0,0|2,0,0]=4 1084 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 33471 [0,1,0,1,0,0|2,0,0]=4 1085 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 8645 [0,1,0,1,0,0|2,0,0]=4 1086 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [0,1,0,1,0,0|2,0,0]=4 1087 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 8637 [0,1,0,1,0,0|2,0,0]=4 1088 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 21891 [0,1,0,1,0,0|2,0,0]=4 1089 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 21730 [0,1,0,1,0,0|1,1,0]=4 1090 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [0,1,0,1,0,0|1,0,0]=3 1091 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 34173 [0,1,0,1,0,0|2,0,0]=4 1092 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 21894 [0,1,0,1,0,0|2,0,0]=4 1093 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 27923 [0,1,0,1,0,0|2,0,0]=4 1094 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)O1 12473 [0,1,0,1,0,0|2,0,0]=4 1095 B12R2.606 NC1=NC2=C(C=CC(F)=C2)O1 21895 [0,1,0,1,0,0|2,0,0]=4 1096 B12R2.606 Nc1ccc2nc(=O)nc2c1 7162 [0,1,0,1,0,0|2,0,0]=4 1097 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [0,1,0,1,0,0|1,0,0]=3 1098 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 15490 [0,1,0,1,0,0|2,0,0]=4 1099 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [0,1,0,1,0,0|1,0,0]=3 1100 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 15989 [0,1,0,1,0,0|2,0,0]=4 1101 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [0,1,0,1,0,0|1,0,0]=3 1102 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,1,0,1,0,0|1,0,0]=3 1103 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [0,1,0,1,0,0|1,0,0]=3 1104 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [0,1,0,1,0,0|1,0,0]=3 1105 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [0,1,0,1,0,0|1,0,0]=3 1106 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [0,1,0,1,0,0|1,0,0]=3 1107 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 15487 [0,1,0,1,0,0|2,0,0]=4 1108 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [0,1,0,1,0,0|1,0,0]=3 1109 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [0,1,0,1,0,0|1,0,0]=3 1110 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [0,1,0,1,0,0|1,0,0]=3 1111 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 21893 [0,1,0,1,0,0|1,0,0]=3 1112 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 21839 [0,1,0,1,0,0|1,1,0]=4 1113 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 8644 [0,1,0,1,0,0|1,0,0]=3 1114 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 21837 [0,1,0,1,0,0|1,1,0]=4 1115 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 21892 [0,1,0,1,0,0|1,0,0]=3 1116 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 21841 [0,1,0,1,0,0|1,1,0]=4 1117 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 8642 [0,1,0,1,0,0|1,0,0]=3 1118 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 13573 [0,1,0,1,0,0|1,1,0]=4 1119 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 17712 [0,1,0,1,0,0|2,0,0]=4 1120 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 26466 [0,1,0,1,0,0|2,0,0]=4 1121 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [0,1,0,1,0,0|1,0,0]=3 1122 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 34825 [0,1,0,1,0,0|1,0,1]=4 1123 B12R2.606 SC1=NC2=C(C=C(Cl)C=C2)O1 8714 [0,1,0,1,0,0|1,1,0]=4 1124 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 8704 [0,1,0,1,0,0|1,1,0]=4 1125 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,1,0,1,0,0|1,0,1]=4 1126 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,1,0,1,0,0|1,0,0]=3 1127 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [0,1,0,1,0,0|1,0,1]=4 1128 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [0,1,0,1,0,0|1,0,1]=4 1129 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [0,1,0,1,0,0|1,0,1]=4 1130 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,1,0,1,0,0|1,0,1]=4 1131 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,1,0,1,0,0|1,0,1]=4 1132 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,1,0,1,0,0|1,0,1]=4 1133 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [0,1,0,1,0,0|0,0,2]=4 1134 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [0,1,0,1,0,0|0,0,2]=4 1135 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,1,0,1,0,0|2,0,0]=4 1136 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 21889 [0,1,0,1,0,0|1,1,0]=4 1137 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 33484 [0,1,0,1,0,0|2,0,0]=4 1138 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 7004 [0,1,0,1,0,0|0,0,1]=3 1139 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [0,1,0,1,0,0|1,0,1]=4 1140 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 7591 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 14482 [0,1,0,1,0,0|1,1,0]=4 1142 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 7021 [0,1,0,1,0,0|0,0,2]=4 1143 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 7590 [0,1,0,1,0,0|2,0,0]=4 1144 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 14535 [0,1,0,1,0,0|1,1,0]=4 1145 B12R2.202 CC1=CC2=C(Br)C=CC=C2C1 35099 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.202 CC1=CC2=C(Cl)C=CC=C2C1 35009 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 24325 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.202 CC1=CC=CC2=C1NC(=O)S2 21873 [0,1,0,1,0,0|1,1,0]=4 1149 B12R2.202 CC1=NC2=C(C=CC=C2Br)O1 33472 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 33473 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 7952 [0,1,0,1,0,0|1,0,0]=3 1152 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 15482 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 18017 [0,1,0,1,0,0|1,0,0]=3 1154 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 8934 [0,1,0,1,0,0|1,0,0]=3 1155 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 18014 [0,1,0,1,0,0|1,0,0]=3 1156 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 8305 [0,1,0,1,0,0|1,0,0]=3 1157 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 18006 [0,1,0,1,0,0|1,0,0]=3 1158 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 8552 [0,1,0,1,0,0|1,0,0]=3 1159 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 21835 [0,1,0,1,0,0|1,1,0]=4 1160 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 21838 [0,1,0,1,0,0|1,1,0]=4 1161 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 19276 [0,1,0,1,0,0|1,1,0]=4 1162 B8R1.8 O=CCC1=CC=NO1 24239 [1,0,0,0,1,0|2,0,0]=4 1163 B8R1.8 O=CCC1=NOC=C1 24240 [1,0,0,0,1,0|2,0,0]=4 1164 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,1,0|1,0,1]=4 1165 B8R1.8 OCCC1=CSC=C1 20415 [1,0,0,0,1,0|1,0,1]=4 1166 B8R1.7 CC(=O)C1=CC=CN1 20915 [0,0,0,0,2,0|2,0,0]=4 1167 B8R1.7 CC(=O)C1=CC=CO1 6939 [0,0,0,0,2,0|2,0,0]=4 1168 B8R1.7 CC(=O)C1=CC=CS1 5172 [0,0,0,0,2,0|2,0,0]=4 1169 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,0,0,0,2,0|2,0,0]=4 1170 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,0,0,0,2,0|2,0,0]=4 1171 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,0,0,0,2,0|2,0,0]=4 1172 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [0,0,0,0,2,0|2,0,0]=4 1173 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [0,0,0,0,2,0|2,0,0]=4 1174 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [0,0,0,0,2,0|2,0,0]=4 1175 B8R1.7 O=C(O)C1=CC=CN1 15698 [0,0,0,0,2,0|1,0,0]=3 1176 B8R1.7 O=C(O)C1=CC=CO1 6946 [0,0,0,0,2,0|1,0,0]=3 1177 B8R1.7 O=C(O)C1=CC=CS1 5157 [0,0,0,0,2,0|1,0,0]=3 1178 B8R1.7 O=C(O)C1=CC=NN1 12935 [0,0,0,0,2,0|2,0,0]=4 1179 B8R1.7 O=C(O)C1=CC=NN1 35926 [0,0,0,0,2,0|2,0,0]=4 1180 B8R1.7 O=C(O)C1=CC=NO1 8643 [0,0,0,0,2,0|2,0,0]=4 1181 B8R1.7 O=C(O)C1=CC=NS1 30427 [0,0,0,0,2,0|2,0,0]=4 1182 B8R1.7 O=C(O)C1=CN=CN1 9003 [0,0,0,0,2,0|2,0,0]=4 1183 B8R1.7 O=C(O)C1=CN=CS1 14533 [0,0,0,0,2,0|2,0,0]=4 1184 B8R1.7 O=C(O)C1=CNC=C1 8345 [0,0,0,0,2,0|1,0,0]=3 1185 B8R1.7 O=C(O)C1=CNN=C1 13293 [0,0,0,0,2,0|2,0,0]=4 1186 B8R1.7 O=C(O)C1=COC=C1 6945 [0,0,0,0,2,0|1,0,0]=3 1187 B8R1.7 O=C(O)C1=COC=N1 11025 [0,0,0,0,2,0|2,0,0]=4 1188 B8R1.7 O=C(O)C1=CON=C1 8775 [0,0,0,0,2,0|2,0,0]=4 1189 B8R1.7 O=C(O)C1=CSC=C1 7735 [0,0,0,0,2,0|1,0,0]=3 1190 B8R1.7 O=C(O)C1=CSC=N1 35764 [0,0,0,0,2,0|2,0,0]=4 1191 B8R1.7 O=C(O)C1=NC=CN1 25373 [0,0,0,0,2,0|2,0,0]=4 1192 B8R1.7 O=C(O)C1=NC=CS1 16257 [0,0,0,0,2,0|2,0,0]=4 1193 B8R1.7 O=C(O)C1=NOC=C1 12341 [0,0,0,0,2,0|2,0,0]=4 1194 B8R1.7 O=C(O)C1=NSC=C1 22100 [0,0,0,0,2,0|2,0,0]=4 1195 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [0,0,0,0,2,0|0,0,1]=3 1196 B8R1.7 O=C([O-])C1=CC=CS1 32366 [0,0,0,0,2,0|1,0,1]=4 1197 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [0,0,0,0,0,2|1,0,0]=3 1198 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [0,0,0,0,0,2|1,0,0]=3 1199 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [0,0,0,0,0,2|1,0,0]=3 1200 B12R1.252 NC(=O)NOCC1=CC=CC=C1 19804 [0,0,0,0,0,2|1,0,0]=3 1201 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [0,0,0,0,0,2|1,0,0]=3 1202 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [0,0,0,0,0,2|0,0,0]=2 1203 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [0,0,0,0,0,2|0,0,0]=2 1204 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [0,0,0,0,0,2|0,0,0]=2 1205 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [0,0,0,0,0,2|0,0,0]=2