0 B9R1.8 BrCCC1=CC=CN=C1 21399 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 BrCCC1=NC=CC=C1 23421 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 C=CCC1=CC=CC=C1 29358 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.8 C=CSC1=CC=CC=C1 10778 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.8 CCCC1=CC=CC=C1 10852 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.8 CCCC1=CC=NC=C1 15021 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 CCOC1=CC=NC=C1 1125 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CCOC1=NC=CC=C1 1126 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.8 CCSC1=CC=CC=C1 10773 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 CNCC1=CC=CC=C1 19910 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 CNCC1=CC=CC=C1 25218 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 CNCC1=CC=CC=C1 5801 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 COCC1=CC=CC=C1 15300 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 ClCCC1=CC=CC=C1 26674 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 ClCCC1=CC=CN=C1 23929 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.8 ClCSC1=CC=CC=C1 10735 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.8 N#CCC1=NC=CC=C1 9302 [0,0,0,0,0,0|1,0,1]=2 18 B9R1.8 NCCC1=CC=CN=C1 13196 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 NCCC1=CC=CN=C1 14084 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.8 NCCC1=CC=NC=C1 13447 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.8 NCCC1=NC=CC=C1 2592 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.8 NCCc1ccccc1 21077 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.8 NNCC1=CC=CC=C1 29056 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.8 NOCC1=CC=CC=C1 24804 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.8 NOCC1=CC=CC=C1 7095 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 OCCC1=NC=CC=C1 2593 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.8 ONCC1=CC=CC=C1 25520 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.8 S=C=NC1=CC=CC=C1 18702 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.8 SCCC1=CC=CN=C1 25052 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 SCCC1=NC=CC=C1 25015 [0,0,0,0,0,0|1,0,0]=1 31 B8R1.2 BrCC1=CC=CC=C1 13143 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 BrCC1=CC=CN=C1 17664 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 BrCC1=NC=NC=C1 23940 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 C#CC1=CC=CC=C1 15340 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.2 C=CC1=NC=CC=C1 23910 [1,0,0,0,0,0|0,0,2]=3 36 B8R1.2 CCC1=NC=NC=C1 23618 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 CNC1=CC=CN=C1 14983 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CNC1=CC=NC=C1 12915 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 COC1=CC=CC=C1 12830 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 COC1=CC=CC=C1 17272 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 COC1=CC=CN=C1 15370 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 COC1=CC=NC=C1 2585 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 COC1=NC=CC=C1 13201 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.2 COC1=NC=CN=C1 8605 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 COC1=NC=NC=C1 21029 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 CSC1=CC=CC=C1 10578 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 CSC1=NC=CC=C1 35938 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 CSC1=NC=CN=C1 8604 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 ClCC1=CC=CN=C1 9217 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 ClCC1=CC=NC=C1 15905 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 ClCC1=NC=CC=C1 16732 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.2 ClCC1=NC=CC=C1 36036 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.2 ClCC1=NC=CC=N1 21458 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.2 ClCC1=NC=CC=N1 24800 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 ClCC1=NC=CN=C1 32160 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 N#CC1=NC=CC=C1 6007 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.2 N#CC1=NC=CC=N1 7042 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 N#CC1=NC=CN=C1 8603 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 N#CC1=NC=NC=C1 21035 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 N#Cc1ccccc1 25507 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 NCC1=CC=CC=C1 25530 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 NCC1=CC=CN=C1 11140 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 NCC1=CC=NC=C1 12407 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 NCC1=NC=CC=C1 11142 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.2 NCC1=NC=CC=N1 26329 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 NCC1=NC=CN=C1 17822 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 NNC1=CC=CC=C1 22925 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 NNC1=NC=CC=C1 22630 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 NNC1=NC=CN=C1 18786 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 O=CC1=CC=CN=N1 23311 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 O=CC1=NC=CC=C1 11741 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.2 O=CC1=NC=CC=N1 23190 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 O=CC1=NC=CN=C1 32140 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 OCC1=CC=CN=C1 11736 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 OCC1=CC=NC=C1 11738 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 OCC1=NC=CC=C1 9301 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.2 OCC1=NC=CC=N1 9757 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 OCC1=NC=CN=C1 32128 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 OCC1=NC=NC=C1 9756 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 SCC1=CC=CC=C1 6835 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 SCC1=CC=CN=C1 25049 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 SCC1=CC=NC=C1 25053 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 SCC1=NC=CC=C1 25013 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.2 SCC1=NC=CN=C1 32116 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [0,1,0,0,0,0|0,0,0]=1 89 B10R1.1 CCCC1=CN=C(Cl)N=C1 7036 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.1 CCCC1=CN=C(S)N=C1 9576 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.1 CCNC1=CC=C(Cl)N=N1 9641 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.1 CCNC1=NC=C(Br)C=C1 22083 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.1 N#CCC1=NC=C(Br)C=C1 31886 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.4 CCNC1=NC=CC=C1N 6237 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.4 CCOC1=CC=CN=C1Br 5890 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.4 CCOC1=CC=CN=C1C 34423 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.4 CCOC1=CC=CN=C1N 5585 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.4 CCOC1=NC=CC=C1Br 6233 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.4 CCOC1=NC=CC=C1I 9248 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.4 CCOC1=NC=CN=C1C 9108 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.4 NNCc1ccccc1F 34909 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.4 Nc1ccccc1CCO 22282 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.10 CCCC1=NC(Cl)=NC=C1 9829 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.10 CCOC1=CC(N)=NC=N1 34822 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.10 CCOC1=NC=NC(C)=C1 21485 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.10 COCC1=CC=CC(F)=C1 24279 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.10 COCC1=CN=CC(Br)=C1 22088 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.15 N#CC(N)c1ccccc1 28208 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,1,0,0,0,0|1,0,1]=3 235 B10R1.15 O=C(CBr)C1=NC=CN=C1 21375 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.17 BrCCCC1=CC=CC=C1 3832 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.17 BrCCOC1=CC=CC=C1 3152 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.17 C#CCSC1=CC=CC=C1 15323 [0,1,0,0,0,0|1,0,2]=4 245 B10R1.17 C=CCOC1=CC=CC=C1 29359 [0,1,0,0,0,0|1,0,2]=4 246 B10R1.17 C=COCC1=CC=CC=C1 36172 [0,1,0,0,0,0|1,0,2]=4 247 B10R1.17 CCCCC1=CC=CC=C1 13571 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.17 CCNCC1=NC=CC=C1 23918 [0,1,0,0,0,0|0,0,0]=1 249 B10R1.17 CNCCC1=CC=NC=C1 14195 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [0,1,0,0,0,0|1,0,2]=4 251 B10R1.17 ClCCOC1=CC=CC=C1 3167 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.17 ClCCSC1=CC=CC=C1 36163 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.17 ClCOCC1=CC=CC=C1 7566 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.17 NCCCC1=CC=CN=C1 23791 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.17 NCCOC1=CC=CC=C1 14773 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.17 NCCOC1=CC=CC=C1 15299 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.17 NNCCC1=CC=CC=C1 16246 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.17 OCC#CC1=CC=CC=C1 13580 [0,1,0,0,0,0|1,0,2]=4 259 B10R1.17 OCCCC1=CC=CC=C1 15023 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.17 OCCCC1=CC=CN=C1 13083 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.17 OCCCC1=CC=NC=C1 13084 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.17 OCCCC1=NC=CC=C1 13082 [0,1,0,0,0,0|0,0,0]=1 263 B10R1.17 OCCSC1=CC=CC=C1 10784 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [0,1,0,0,0,0|2,0,1]=4 265 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,1,0,0,0,0|0,0,1]=2 268 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,1,0,0,0,0|1,0,1]=3 274 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,1,0,0,0,0|2,0,1]=4 279 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [0,0,0,1,0,0|1,0,0]=2 280 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [0,0,0,1,0,0|2,0,0]=3 281 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [0,0,0,1,0,0|2,0,0]=3 282 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [0,0,0,1,0,0|2,0,0]=3 283 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [0,0,0,1,0,0|3,0,0]=4 284 B10R2.7 C1=CC2=C(C=N1)CNC2 17767 [0,0,0,1,0,0|3,0,0]=4 285 B10R2.7 C1=CC2=C(C=N1)CNC2 19108 [0,0,0,1,0,0|3,0,0]=4 286 B10R2.7 C1=CC2=C(N=C1)NC=N2 30310 [0,0,0,1,0,0|2,0,1]=4 287 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [0,0,0,1,0,0|1,0,2]=4 288 B10R2.7 C1=CC=C2CCCC2=C1 20379 [0,0,0,1,0,0|1,0,0]=2 289 B10R2.7 C1=CC=C2CNCC2=C1 16248 [0,0,0,1,0,0|2,0,0]=3 290 B10R2.7 C1=CC=C2CNCC2=C1 16512 [0,0,0,1,0,0|2,0,0]=3 291 B10R2.7 C1=CC=C2CNCC2=C1 33470 [0,0,0,1,0,0|2,0,0]=3 292 B10R2.7 C1=CC=C2NCCC2=C1 7502 [0,0,0,1,0,0|2,0,0]=3 293 B10R2.7 C1=CN=C2C=CNC2=C1 7675 [0,0,0,1,0,0|1,0,2]=4 294 B10R2.7 C1=CN=C2C=NNC2=C1 19278 [0,0,0,1,0,0|2,0,1]=4 295 B10R2.7 C1=CN=C2CCCC2=C1 15900 [0,0,0,1,0,0|0,0,0]=1 296 B10R2.7 C1=CN=C2CNCC2=C1 11371 [0,0,0,1,0,0|1,0,0]=2 297 B10R2.7 C1=CN=C2CNCC2=C1 18111 [0,0,0,1,0,0|1,0,0]=2 298 B10R2.7 C1=CN=C2CNCC2=N1 34561 [0,0,0,1,0,0|2,0,0]=3 299 B10R2.7 C1=CN=C2NC=CC2=C1 7679 [0,0,0,1,0,0|1,0,2]=4 300 B10R2.7 C1=CN=C2NCCC2=C1 18022 [0,0,0,1,0,0|1,0,0]=2 301 B10R2.7 C1=CN=C2NN=CC2=C1 25768 [0,0,0,1,0,0|2,0,1]=4 302 B10R2.7 C1=CN=C2SC=CC2=C1 32500 [0,0,0,1,0,0|1,0,2]=4 303 B10R2.7 C1=NC=C2NCCC2=C1 18023 [0,0,0,1,0,0|3,0,0]=4 304 B10R2.7 C1=NC=NC2=C1CNC2 15463 [0,0,0,1,0,0|2,0,0]=3 305 B10R2.7 C1=NC=NC2=C1CNC2 17462 [0,0,0,1,0,0|2,0,0]=3 306 B10R2.320 BrC1CC2=CC=CC=C21 36330 [0,0,0,1,0,0|2,0,0]=3 307 B8R1.8 CCCC1=NC=CN1 15976 [0,0,0,0,1,0|1,0,0]=2 308 B8R1.8 CCOC1=NC=CS1 9943 [0,0,0,0,1,0|2,0,0]=3 309 B8R1.8 CNCC1=CC=CS1 22897 [0,0,0,0,1,0|2,0,0]=3 310 B8R1.8 CNCC1=NNC=C1 14335 [0,0,0,0,1,0|2,0,0]=3 311 B8R1.8 COCN1C=CN=C1 34774 [0,0,0,0,1,0|3,0,0]=4 312 B8R1.8 ClCCC1=CNN=C1 15789 [0,0,0,0,1,0|3,0,0]=4 313 B8R1.8 ClCCC1=CNN=C1 15791 [0,0,0,0,1,0|3,0,0]=4 314 B8R1.8 Cl[Mg]CC1=CC=CO1 2072 [0,0,0,0,1,0|3,0,0]=4 315 B8R1.8 N#CCC1=CC=CS1 5590 [0,0,0,0,1,0|2,0,1]=4 316 B8R1.8 N#CCC1=CSC=C1 8862 [0,0,0,0,1,0|2,0,1]=4 317 B8R1.8 N#CCN1C=CC=N1 23696 [0,0,0,0,1,0|2,0,1]=4 318 B8R1.8 NCCC1=CC=CS1 5579 [0,0,0,0,1,0|2,0,0]=3 319 B8R1.8 NCCC1=CC=CS1 8859 [0,0,0,0,1,0|2,0,0]=3 320 B8R1.8 NCCC1=CNC=N1 9893 [0,0,0,0,1,0|2,0,0]=3 321 B8R1.8 NCCC1=CSC=C1 14605 [0,0,0,0,1,0|2,0,0]=3 322 B8R1.8 NCCC1=CSC=C1 24381 [0,0,0,0,1,0|2,0,0]=3 323 B8R1.8 NCCC1=NC=CN1 24954 [0,0,0,0,1,0|2,0,0]=3 324 B8R1.8 NCCN1C=CN=C1 12985 [0,0,0,0,1,0|3,0,0]=4 325 B8R1.8 NCCN1C=CN=C1 8054 [0,0,0,0,1,0|3,0,0]=4 326 B8R1.8 O=CCC1=NOC=C1 24240 [0,0,0,0,1,0|2,0,1]=4 327 B8R1.8 OCCC1=CC=CS1 5581 [0,0,0,0,1,0|2,0,0]=3 328 B8R1.8 OCCC1=CNN=C1 7849 [0,0,0,0,1,0|3,0,0]=4 329 B8R1.8 OCCC1=CSC=C1 20415 [0,0,0,0,1,0|2,0,0]=3 330 B8R1.8 OCCN1C=CN=C1 7607 [0,0,0,0,1,0|3,0,0]=4 331 B7R1.3 BrC1=NC=CC=C1 2570 [2,0,0,0,0,0|1,0,0]=3 332 B7R1.3 BrC1=NC=CC=N1 6901 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.3 BrC1=NC=CN=C1 18036 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.3 CC1=CC=CN=N1 17696 [2,0,0,0,0,0|1,0,0]=3 335 B7R1.3 CC1=NC=CC=C1 15899 [2,0,0,0,0,0|0,0,0]=2 336 B7R1.3 CC1=NC=CC=N1 21974 [2,0,0,0,0,0|1,0,0]=3 337 B7R1.3 CC1=NC=CN=C1 8601 [2,0,0,0,0,0|1,0,0]=3 338 B7R1.3 CC1=NC=NC=C1 20803 [2,0,0,0,0,0|1,0,0]=3 339 B7R1.3 Cc1ccccn1 18185 [2,0,0,0,0,0|0,0,0]=2 340 B7R1.3 ClC1=CC=CN=N1 19779 [2,0,0,0,0,0|2,0,0]=4 341 B7R1.3 ClC1=NC=CC=C1 13200 [2,0,0,0,0,0|1,0,0]=3 342 B7R1.3 ClC1=NC=CC=N1 7040 [2,0,0,0,0,0|2,0,0]=4 343 B7R1.3 ClC1=NC=CN=C1 8546 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.3 ClC1=NC=NC=C1 15531 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.3 FC1=CC=CC=C1 29401 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.3 FC1=NC=CC=C1 1094 [2,0,0,0,0,0|1,0,0]=3 347 B7R1.3 FC1=NC=CN=C1 13961 [2,0,0,0,0,0|2,0,0]=4 348 B7R1.3 FC1=NC=NC=C1 13598 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.3 IC1=CC=CC=C1 2143 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.3 IC1=CC=CC=C1 3921 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.3 IC1=NC=CC=C1 4074 [2,0,0,0,0,0|1,0,0]=3 352 B7R1.3 IC1=NC=CC=N1 23553 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.3 IC1=NC=NC=C1 33551 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.3 NC1=CC=CN=N1 16747 [2,0,0,0,0,0|2,0,0]=4 355 B7R1.3 NC1=CC=CN=N1 9538 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 NC1=NC=CC=C1 10484 [2,0,0,0,0,0|1,0,0]=3 357 B7R1.3 NC1=NC=CC=N1 4106 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.3 NC1=NC=CN=C1 8600 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 NC1=NC=NC=C1 21825 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.3 OC1=NC=CC=C1 2567 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.3 OC1=NC=CC=N1 20310 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 OC1=NC=CC=N1 21046 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 OC1=NC=CN=C1 8869 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 OC1=NC=NC=C1 11012 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 OC1=NC=NC=C1 20805 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 PC1=CC=CC=C1 25514 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 SC1=CC=CC=C1 5421 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 SC1=NC=CC=C1 10835 [2,0,0,0,0,0|1,0,0]=3 369 B7R1.3 SC1=NC=CC=C1 16329 [2,0,0,0,0,0|1,0,0]=3 370 B7R1.3 SC1=NC=CC=N1 21982 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 [Li]C1=CC=CC=C1 26659 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.3 [S-]C1=CC=CC=C1 35336 [2,0,0,0,0,0|2,0,0]=4 373 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [2,0,0,0,0,0|1,1,0]=4 374 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 C#CC1=NC=C(Br)C=C1 1294 [1,1,0,0,0,0|0,0,2]=4 377 B9R1.1 C=CC1=CC=C(N)C=N1 26083 [1,1,0,0,0,0|0,0,2]=4 378 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 CC1=CN=C(C#N)C=C1 12978 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.1 CCC1=CN=C(Br)C=N1 34496 [1,1,0,0,0,0|1,0,0]=3 388 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,1,0,0,0,0|0,0,0]=2 391 B9R1.1 CCC1=NC=C(Br)C=N1 27970 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,1,0,0,0,0|0,0,0]=2 393 B9R1.1 CCc1ccc(F)cc1 22752 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 CNC1=CC=C(Cl)N=N1 9476 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.1 COC1=CC=C(N)N=N1 9536 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 COC1=CN=C(Br)C=N1 27287 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 COC1=CN=C(Cl)C=N1 32145 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 COC1=CN=C(N)C=N1 17505 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 COC1=NC=C(Br)C=C1 2408 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.1 COC1=NC=C(Br)C=N1 5264 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 COC1=NC=C(C)C=C1 6609 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.1 COC1=NC=C(F)C=C1 11248 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.1 COC1=NC=C(I)C=C1 6606 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.1 COC1=NC=C(N)C=C1 1270 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.1 COC1=NC=C(O)C=C1 16171 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.1 CSC1=CN=C(Br)C=N1 21708 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.1 CSC1=CN=C(Br)C=N1 23426 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.1 CSC1=CN=C(N)C=N1 30413 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.1 CSC1=NC=C(Br)C=N1 5277 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 ClCC1=CC=C(Cl)N=N1 32248 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 ClCC1=NC=C(Br)C=N1 23535 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.1 ClCC1=NC=C(Cl)C=C1 24106 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.1 N#CC1=NC=C(Br)C=C1 2108 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.1 N#CC1=NC=C(Cl)C=C1 2107 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.1 N#CC1=NC=C(F)C=C1 16479 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.1 N#CC1=NC=C(N)C=C1 6228 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.1 N#CC1=NC=C(O)C=C1 17605 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.1 NCC1=NC=C(Br)C=C1 29009 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.1 NNC1=NC=C(Br)C=C1 18793 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [1,1,0,0,0,0|1,0,1]=4 459 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.1 OCC1=NC=C(Cl)N=C1 23492 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 BrCC1=CC(Br)=CC=C1 3029 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 BrCC1=CC(I)=CC=C1 28805 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 C=CC1=CC=CC(C)=N1 25969 [1,1,0,0,0,0|0,0,2]=4 476 B9R1.2 CC1=CC(C#N)=NC=C1 21387 [1,1,0,0,0,0|1,0,1]=4 477 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.2 CC1=CC=CC(C#N)=N1 16781 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.2 CC1=CC=CC(CBr)=N1 22577 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.2 CC1=CC=CC(CCl)=N1 22531 [1,1,0,0,0,0|1,0,0]=3 482 B9R1.2 CC1=CC=CC(CCl)=N1 22536 [1,1,0,0,0,0|1,0,0]=3 483 B9R1.2 CC1=CC=CC(CF)=C1 28809 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 CC1=CC=CC(CN)=C1 10198 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.2 CC1=CC=CC(CN)=N1 19465 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.2 CC1=CC=CC(CO)=N1 20959 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.2 CCC1=CC(Cl)=NC=N1 22620 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.2 CCC1=CC(N)=NC=C1 7108 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 CCC1=CC(O)=NC=N1 23619 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [1,1,0,0,0,0|1,0,0]=3 491 B9R1.2 CCC1=CC=CC(N)=C1 13534 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.2 CCC1=CC=CC(O)=C1 10772 [1,1,0,0,0,0|1,0,0]=3 493 B9R1.2 CCC1=NC=CC(Br)=C1 22128 [1,1,0,0,0,0|0,0,0]=2 494 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 CNC1=CC(Cl)=NC=N1 9456 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 CNC1=CC(F)=CC=C1 24835 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 CNC1=CC=CC(O)=C1 27611 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 CNC1=NC=CC(Br)=C1 32483 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.2 COC1=CC(Br)=CC=C1 13575 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 COC1=CC(Br)=NC=N1 28084 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 COC1=CC(Cl)=NC=N1 7038 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 COC1=CC(F)=CC=C1 3474 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.2 COC1=CC(I)=CC=C1 3904 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 COC1=CC(I)=NC=N1 28085 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 COC1=CC(N)=NC=N1 2605 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.2 COC1=CC(O)=CC=C1 13577 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 COC1=CC=CC(Br)=N1 9206 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.2 COC1=CC=CC(Cl)=N1 13194 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.2 COC1=CC=CC(I)=N1 9288 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.2 COC1=CC=CC(N)=C1 8374 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 COC1=CC=CC(N)=N1 12919 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.2 COC1=CC=CC(S)=C1 6817 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 COC1=CN=CC(Cl)=N1 32164 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 COC1=CN=CC(N)=N1 17504 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 COC1=NC(Br)=NC=C1 28086 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 COC1=NC(C)=NC=C1 19887 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 COC1=NC(N)=NC=C1 21995 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 COC1=NC=CC(Br)=C1 6657 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.2 COC1=NC=CC(Br)=N1 33686 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 COC1=NC=CC(C)=C1 6598 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.2 COC1=NC=CC(Cl)=C1 15650 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.2 COC1=NC=CC(Cl)=C1 6663 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.2 COC1=NC=CC(Cl)=N1 23206 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 COC1=NC=CC(F)=C1 6596 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.2 COC1=NC=CC(I)=C1 17128 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.2 COC1=NC=CC(N)=C1 32235 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.2 COC1=NC=CC(N)=C1 6595 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.2 COC1=NC=CC(N)=N1 28087 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 COC1=NC=CC(O)=C1 35149 [1,1,0,0,0,0|1,0,0]=3 531 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 CSC1=CC(C)=CC=C1 10793 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 CSC1=CC(F)=CC=C1 10640 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 CSC1=CC(I)=CC=C1 10669 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 CSC1=CC(N)=CC=C1 10635 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 CSC1=CC=CC(Br)=N1 27610 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.2 CSC1=NC=CC(C)=N1 35732 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 CSC1=NC=CC(Cl)=N1 15764 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 CSC1=NC=CC(I)=N1 5294 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 CSC1=NC=CC(N)=N1 22250 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 CSC1=NC=CC(O)=N1 21487 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 ClC1=CC=CC(CBr)=C1 10765 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 ClCC1=CC(Br)=CC=C1 23319 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 ClCC1=CC(Cl)=CC=C1 7520 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 ClCC1=CC(I)=CC=C1 31286 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 FC1=CC=CC(CBr)=C1 10214 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.2 FC1=CC=CC(CCl)=C1 7516 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 N#CC1=CC=CC(Cl)=N1 2163 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.2 N#CC1=CC=CC(N)=N1 44709 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.2 N#CC1=NC(Br)=CC=C1 14367 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.2 N#CC1=NC(F)=CC=C1 4017 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.2 N#CC1=NC=CC(Br)=C1 23829 [1,1,0,0,0,0|1,0,1]=4 554 B9R1.2 N#CC1=NC=CC(Cl)=C1 13193 [1,1,0,0,0,0|1,0,1]=4 555 B9R1.2 N#CC1=NC=CC(N)=C1 23209 [1,1,0,0,0,0|1,0,1]=4 556 B9R1.2 N#CC1=NC=CC(O)=C1 34371 [1,1,0,0,0,0|1,0,1]=4 557 B9R1.2 NC1=CC=CC(CO)=C1 13383 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.2 NCC1=CC(Br)=CC=C1 21109 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.2 NCC1=CC(Br)=CC=C1 3750 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.2 NCC1=CC(F)=CC=C1 4417 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 NCC1=CC(I)=CC=C1 3302 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.2 NCC1=CC(N)=CC=C1 5802 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.2 NCC1=NC=CC(Br)=C1 35197 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.2 NNC1=CC=CC(Br)=N1 12987 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 NNC1=CC=CC(Cl)=N1 12983 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.2 O=CC1=CC=CC(F)=N1 15245 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.2 O=CC1=NC(Br)=CC=C1 3196 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.2 O=CC1=NC(Br)=CC=C1 9209 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.2 O=CC1=NC(Cl)=CC=C1 13323 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.2 OC1=NC(CCl)=NC=C1 21030 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 OCC1=CC(Br)=CC=C1 3747 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.2 OCC1=CC(Cl)=CC=C1 3626 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.2 OCC1=CC(F)=CC=C1 3486 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.2 OCC1=CC(I)=CC=C1 24776 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.2 OCC1=CC=CC(Br)=N1 7712 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.2 OCC1=NC(Cl)=CC=C1 13322 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.2 OCC1=NC(Cl)=CC=C1 18795 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.2 OCC1=NC(Cl)=CN=C1 32136 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.2 OCC1=NC(I)=CC=C1 26934 [1,1,0,0,0,0|1,0,0]=3 581 B9R1.2 OCC1=NC=CC(Br)=C1 20564 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.2 OCC1=NC=CC(Cl)=C1 9828 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,1,0,0,0,0|0,0,1]=3 585 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,1,0,0,0,0|1,0,1]=4 588 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.6 CN(C)C1=NC=CC=C1 14996 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,1,0,0,0,0|1,0,0]=3 594 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,1,0,0,0,0|1,0,0]=3 595 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,1,0,0,0,0|0,0,0]=2 597 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,1,0,0,0,0|0,0,0]=2 601 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.6 OB(O)C1=NC=CC=C1 4076 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 CC1=C(CN)C=CC=C1 10197 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.15 CC1=CC=CN=C1C#N 9627 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.15 CC1=CC=CN=C1C=O 17165 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.15 CCC1=C(I)C=CC=C1 3876 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.15 CCC1=C(N)C=CC=C1 20945 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.15 CCC1=C(N)C=CC=C1 21080 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.15 CCC1=C(S)C=CC=C1 6844 [1,1,0,0,0,0|1,0,0]=3 620 B9R1.15 CCC1=CC=CN=C1N 35166 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 CCC1=NC=CC=C1Br 27958 [1,1,0,0,0,0|0,0,0]=2 622 B9R1.15 CCC1=NC=CN=C1C 8611 [1,1,0,0,0,0|1,0,0]=3 623 B9R1.15 CCC1=NC=CN=C1Cl 32165 [1,1,0,0,0,0|1,0,0]=3 624 B9R1.15 CCC1=NC=NC=C1F 17408 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 CNC1=C(F)C=CC=C1 15527 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 CNC1=CC=CC=C1N 14987 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 COC1=C(Br)C=CC=C1 3725 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 COC1=C(F)C=CC=C1 3473 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 COC1=C(I)C=CC=C1 3898 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 COC1=C(S)C=CC=C1 6816 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.15 COC1=CC=CC=C1O 26545 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 COC1=NC=CC=C1Br 1180 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.15 COC1=NC=CC=C1C 6594 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.15 COC1=NC=CC=C1Cl 1189 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.15 COC1=NC=CC=C1F 10624 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.15 COC1=NC=CC=C1I 6586 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.15 COC1=NC=CC=C1N 1269 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.15 COC1=NC=CN=C1Br 32150 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 COC1=NC=CN=C1C 9109 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 COC1=NC=CN=C1Cl 8545 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 COC1=NC=CN=C1N 27380 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.15 CSC1=C(C)C=CC=C1 10730 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 CSC1=C(F)C=CC=C1 10638 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.15 CSC1=C(I)C=CC=C1 10668 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.15 CSC1=C(N)C=CC=C1 10633 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.15 CSC1=C(O)C=CC=C1 10666 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 CSC1=NC=CN=C1Cl 32091 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 ClCC1=NC=CC=C1Cl 27217 [1,1,0,0,0,0|1,0,0]=3 655 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.15 N#CC1=NC=CC=C1Br 2263 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.15 N#CC1=NC=CC=C1Cl 14368 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.15 N#CC1=NC=CC=C1F 16434 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.15 N#CC1=NC=CC=C1I 15743 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.15 N#CC1=NC=CC=C1N 7667 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.15 N#CC1=NC=CC=C1O 9231 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.15 NC1=C(CO)C=CC=C1 7478 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.15 NC1=CC=CN=C1C=O 7680 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.15 NC1=CC=CN=C1CO 35900 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.15 NCC1=C(F)C=CC=C1 4415 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 NCC1=C(N)C=CC=C1 23363 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 NCC1=C(O)C=CC=C1 7383 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 NCC1=NC=CC=C1O 34602 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.15 NCC1=NC=CN=C1Cl 32131 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 NNC1=NC=CC=C1Cl 6444 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.15 NNC1=NC=CC=C1F 19894 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.15 O=CC1=NC=CC=C1Br 15122 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.15 O=CC1=NC=CC=C1Cl 17163 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.15 O=CC1=NC=CC=C1F 5142 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.15 O=CC1=NC=CC=C1O 12415 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.15 OCC1=C(F)C=CC=C1 3485 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.15 OCC1=C(O)C=CC=C1 21869 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.15 OCC1=NC=CC=C1F 15108 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.15 OCC1=NC=CC=C1O 4075 [1,1,0,0,0,0|1,0,0]=3 687 B9R1.15 OCC1=NC=CN=C1Cl 32144 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.15 SCc1ccccc1Br 6847 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.7 CC1=CNC(CCN)=N1 24977 [0,1,0,0,1,0|2,0,0]=4 691 B9R1.7 CNCC1=CSC(C)=N1 15754 [0,1,0,0,1,0|2,0,0]=4 692 B9R1.11 CCC(=O)C1=CC=CS1 12618 [0,1,0,0,1,0|1,0,1]=4 693 B9R1.11 CNC(C)C1=CC=CN1 16635 [0,1,0,0,1,0|1,0,1]=4 694 B9R1.12 CCCCC1=CNN=C1 21800 [0,1,0,0,1,0|2,0,0]=4 695 B9R1.12 CCCCN1C=CN=C1 18588 [0,1,0,0,1,0|2,0,0]=4 696 B9R1.12 OCCCC1=CN=CN1 34910 [0,1,0,0,1,0|1,0,1]=4 697 B9R1.12 OCCCN1C=CN=C1 23875 [0,1,0,0,1,0|2,0,0]=4 698 B9R1.13 CC(C)CC1=NC=CS1 9942 [0,1,0,0,1,0|1,0,0]=3 699 B9R1.13 CC(N)CC1=CC=CS1 24782 [0,1,0,0,1,0|1,0,0]=3 700 B9R1.33 NC1=CC=NN1CCO 15051 [0,1,0,0,1,0|2,0,0]=4 701 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [0,2,0,0,0,0|0,0,0]=2 705 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.1 CCCOC1=NC=C(Br)C=C1 22059 [0,2,0,0,0,0|0,0,0]=2 707 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.1 COCCc1ccc(O)cc1 27303 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.1 COCOC1=NC=C(Br)C=C1 20344 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [0,2,0,0,0,0|1,0,1]=4 716 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [0,2,0,0,0,0|1,0,1]=4 722 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,2,0,0,0,0|1,0,1]=4 726 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,2,0,0,0,0|1,0,1]=4 732 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.20 CC(C)OC1=NC=C(Br)C=N1 34744 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,2,0,0,0,0|1,0,1]=4 740 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [0,2,0,0,0,0|1,0,1]=4 750 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.81 CCCC1=C(O)C=C(O)C=C1 25562 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 9513 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 3155 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.81 CCOC1=C(F)C=C(Cl)C=C1 3163 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.81 CCOC1=C(N)C=C(N)C=C1 3168 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.81 CCOC1=NC=C(Br)C=C1Br 6231 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.81 CCOC1=NC=C(Br)C=C1I 26897 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 22904 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.81 COCC1=C(N)C=C(Br)C=C1 31052 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 31586 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.83 C#CC1=CC=C(CCC)C=C1 10973 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.83 CCC1=CN=C(CCO)C=C1 16511 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.83 N#CC1=CC=C(CCN)C=C1 31896 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.83 N#CC1=CC=C(CCN)C=C1 31898 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 25477 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.192 CCOC1=CC(C)=C(C)C=C1 3238 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 25405 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.192 CCOC1=CC(Cl)=C(Cl)C=C1 3242 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 3159 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 3164 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.192 CCOC1=CC(F)=C(F)C=C1 2327 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.192 CCOC1=CC(N)=C(N)C=C1 2153 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.192 CCOC1=CC=C(N)C(N)=C1 2484 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.192 COCC1=CC(F)=C(Br)C=C1 27438 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.192 COCC1=CC(N)=C(Br)C=C1 31047 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.192 FC1=C(Cl)C=C(CCBr)C=C1 31594 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 31603 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.192 NCCC1=CC(F)=C(F)C=C1 31257 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.192 OCCC1=CC(F)=C(F)C=C1 31602 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.13 CCOC1=C(F)C(F)=CC=C1 2326 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.13 CCOC1=CC=CC(Br)=C1I 19689 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 31585 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.17 CCCOC1=NC=CC=C1I 31888 [0,2,0,0,0,0|0,0,0]=2 795 B11R1.17 CCCOC1=NC=CC=C1N 31889 [0,2,0,0,0,0|0,0,0]=2 796 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [0,2,0,0,0,0|1,0,1]=4 800 B11R1.41 CCOC1=C(C#N)C=CC=C1 4773 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.41 CCOC1=C(C=O)C=CC=C1 9726 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.41 CCOC1=C(CN)C=CC=C1 7400 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.41 CCOC1=C(OC)C=CC=C1 3067 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.41 COC1=C(CCN)C=CC=C1 23973 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.41 COC1=C(CCO)C=CC=C1 24377 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.41 O=CC1=C(CCBr)C=CC=C1 19638 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,2,0,0,0,0|1,0,1]=4 810 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [0,2,0,0,0,0|1,0,1]=4 811 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [0,2,0,0,0,0|1,0,1]=4 812 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.86 CC(C)OC1=NC=CC=C1Br 6576 [0,2,0,0,0,0|1,0,0]=3 815 B11R1.86 CC(C)OC1=NC=CC=C1I 16561 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.86 CC(C)SC1=C(N)C=CC=C1 31985 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 1919 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 3157 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 3166 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [0,2,0,0,0,0|1,0,1]=4 821 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [0,2,0,0,0,0|1,0,1]=4 822 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.222 COC(=O)C1=NC=CC=C1Cl 32244 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.222 COC(=O)C1=NC=CC=C1O 25563 [0,2,0,0,0,0|1,0,1]=4 826 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.605 CCCC1=C(O)C=CC=C1O 19795 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 19020 [0,2,0,0,0,0|1,0,1]=4 831 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 3083 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 28263 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 25952 [0,2,0,0,0,0|1,0,1]=4 834 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 14985 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 7573 [0,2,0,0,0,0|1,0,1]=4 836 B11R1.23 COC(=O)C1=NC(C)=CC=C1 20955 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 13587 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.23 COC(=O)C1=NC(F)=CC=C1 13582 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.23 COC(=O)C1=NC(I)=CC=C1 9291 [0,2,0,0,0,0|1,0,1]=4 840 B11R1.23 COC(=O)C1=NC(N)=CC=C1 18281 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 12733 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9224 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 9577 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.23 COC(=O)C1=NC=CC(I)=C1 25750 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.23 COC(=O)C1=NC=CC(N)=C1 26057 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.24 CCCOC1=CC=CC(Br)=N1 9752 [0,2,0,0,0,0|0,0,0]=2 853 B11R1.24 CCCOC1=CN=CC(C)=N1 32081 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.34 CCCC1=CC(F)=CC(F)=C1 26499 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.34 CCOC1=CC(C)=CC(C)=C1 3239 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.34 CCOC1=CC(Cl)=CC(F)=C1 3161 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.34 CCOC1=CC(F)=CC(Br)=C1 25407 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.34 CCOC1=NC(Cl)=CC(Cl)=N1 21466 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.34 CCOC1=NC(O)=CC(O)=N1 21465 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.34 COCC1=CC(O)=NC(S)=N1 6920 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 24277 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,2,0,0,0,0|1,0,1]=4 867 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,2,0,0,0,0|1,0,1]=4 868 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [0,2,0,0,0,0|1,0,1]=4 869 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [0,2,0,0,0,0|1,0,1]=4 870 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [0,2,0,0,0,0|1,0,1]=4 871 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.157 FC1=NC(OC(F)F)=CC=C1 31631 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.189 CCOC1=CC=CC(C=O)=C1 13132 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.189 CCOC1=CC=CC(NN)=C1 16014 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.189 CNCC1=CC(OC)=CC=C1 31256 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.189 COC1=CC=CC(CCN)=C1 12794 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 10864 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 10047 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.12 CCN(CC)c1ccccc1 18261 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.12 COC(OC)C1=NC=NC=C1 27977 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.16 CCOC(=O)C1=NC=CC=C1 11659 [0,2,0,0,0,0|0,0,1]=3 888 B11R1.16 CCOC(=O)C1=NC=NC=C1 20807 [0,2,0,0,0,0|1,0,1]=4 889 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,2,0,0,0,0|1,0,1]=4 890 B11R1.16 N#CCC(=O)C1=NC=CC=C1 12085 [0,2,0,0,0,0|0,0,2]=4 891 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,2,0,0,0,0|1,0,0]=3 892 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,2,0,0,0,0|1,0,0]=3 894 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,2,0,0,0,0|1,0,0]=3 895 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,2,0,0,0,0|1,0,0]=3 896 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,2,0,0,0,0|1,0,1]=4 897 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,2,0,0,0,0|1,0,1]=4 902 B11R1.36 O=C(C1=NC=CC=C1)C(F)F 25018 [0,2,0,0,0,0|1,0,1]=4 903 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.28 CCCCCC1=CC=CC=C1 16788 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.28 CCCCOC1=CC=CC=C1 12529 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [0,2,0,0,0,0|1,0,1]=4 907 B11R1.28 N#CCCNC1=CC=CC=C1 2335 [0,2,0,0,0,0|1,0,1]=4 908 B11R1.28 N#CCNCC1=CC=CC=C1 27728 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.28 NCCSSC1=NC=CC=C1 11743 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [0,2,0,0,0,0|1,0,1]=4 911 B11R1.28 OCCCCC1=CC=CC=C1 3100 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.28 OCCCCC1=CC=NC=C1 19155 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.28 OCCNCC1=CC=CC=C1 12960 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.28 OCCOCC1=CC=CC=C1 1939 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.28 OCCSCC1=CC=CC=C1 10801 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,2,0,0,0,0|1,0,1]=4 917 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,2,0,0,0,0|1,0,1]=4 918 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,2,0,0,0,0|1,0,1]=4 919 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,2,0,0,0,0|0,0,1]=3 920 B11R1.40 COC(=O)CC1=NC=CN=C1 27419 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,2,0,0,0,0|1,0,1]=4 922 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,2,0,0,0,0|1,0,0]=3 925 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,2,0,0,0,0|1,0,0]=3 929 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,2,0,0,0,0|1,0,1]=4 931 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,2,0,0,0,0|1,0,1]=4 932 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,2,0,0,0,0|1,0,1]=4 933 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.91 OB(O)CCc1ccccc1 14049 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [0,2,0,0,0,0|2,0,0]=4 939 B9R2.50 C1=CC=C2CCC2=C1 18889 [1,0,0,1,0,0|1,0,0]=3 940 B11R2.34 BrC1=CC=C(C2CC2)N=C1 22082 [0,1,0,1,0,0|0,0,0]=2 941 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [0,1,0,1,0,0|2,0,0]=4 942 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [0,1,0,1,0,0|2,0,0]=4 943 B11R2.34 BrC1=CN=C(C2CC2)N=C1 21772 [0,1,0,1,0,0|1,0,0]=3 944 B11R2.34 BrC1=NC=C(C2CC2)C=C1 27621 [0,1,0,1,0,0|2,0,0]=4 945 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [0,1,0,1,0,0|2,0,0]=4 946 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [0,1,0,1,0,0|2,0,0]=4 947 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [0,1,0,1,0,0|1,0,0]=3 948 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,1,0,1,0,0|1,0,0]=3 949 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [0,1,0,1,0,0|2,0,0]=4 950 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [0,1,0,1,0,0|2,0,0]=4 951 B11R2.36 BrC1=CC=C2CCCC2=C1 34435 [0,1,0,1,0,0|1,0,0]=3 952 B11R2.36 BrC1=CC=C2CCNC2=C1 22223 [0,1,0,1,0,0|2,0,0]=4 953 B11R2.36 BrC1=CC=C2CCNC2=C1 8320 [0,1,0,1,0,0|2,0,0]=4 954 B11R2.36 BrC1=CC=C2CNCC2=C1 12928 [0,1,0,1,0,0|2,0,0]=4 955 B11R2.36 BrC1=CC=C2CNCC2=C1 18079 [0,1,0,1,0,0|2,0,0]=4 956 B11R2.36 BrC1=CC=C2NCCC2=C1 7319 [0,1,0,1,0,0|2,0,0]=4 957 B11R2.36 BrC1=CN=C2NCCC2=C1 15516 [0,1,0,1,0,0|1,0,0]=3 958 B11R2.36 CC1=CC=C2CNCC2=C1 33793 [0,1,0,1,0,0|2,0,0]=4 959 B11R2.36 ClC1=CC=C2CNCC2=C1 18083 [0,1,0,1,0,0|2,0,0]=4 960 B11R2.36 ClC1=CC=C2CNCC2=C1 18084 [0,1,0,1,0,0|2,0,0]=4 961 B11R2.36 ClC1=CC=C2CNCC2=N1 15430 [0,1,0,1,0,0|1,0,0]=3 962 B11R2.36 ClC1=CC=C2NCCC2=C1 2112 [0,1,0,1,0,0|2,0,0]=4 963 B11R2.36 ClC1=NC2=C(C=N1)CCC2 34856 [0,1,0,1,0,0|1,0,0]=3 964 B11R2.36 ClC1=NC2=C(C=N1)CNC2 15416 [0,1,0,1,0,0|2,0,0]=4 965 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [0,1,0,1,0,0|2,0,0]=4 966 B11R2.36 FC1=CC=C2CCNC2=C1 34355 [0,1,0,1,0,0|2,0,0]=4 967 B11R2.36 FC1=CC=C2CNCC2=C1 18062 [0,1,0,1,0,0|2,0,0]=4 968 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [0,1,0,1,0,0|2,0,0]=4 969 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [0,1,0,1,0,0|2,0,0]=4 970 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [0,1,0,1,0,0|2,0,0]=4 971 B11R2.36 NC1=CC=C2CNCC2=C1 18060 [0,1,0,1,0,0|2,0,0]=4 972 B11R2.36 NC1=CC=C2CNCC2=C1 26253 [0,1,0,1,0,0|2,0,0]=4 973 B11R2.36 NC1=NC2=C(C=N1)CNC2 33334 [0,1,0,1,0,0|2,0,0]=4 974 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [0,1,0,1,0,0|2,0,0]=4 975 B11R2.36 OC1=CC=C2CNCC2=C1 17682 [0,1,0,1,0,0|2,0,0]=4 976 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,1,0,1,0,0|1,0,1]=4 977 B11R2.10 CC1=NC2=CC=CN=C2S1 31818 [0,1,0,1,0,0|1,0,1]=4 978 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,1,0,1,0,0|1,0,0]=3 979 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,1,0,1,0,0|1,0,0]=3 980 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,1,0,1,0,0|2,0,0]=4 981 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,1,0,1,0,0|1,0,1]=4 982 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [0,1,0,1,0,0|1,0,1]=4 983 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,1,0,1,0,0|1,0,0]=3 984 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [0,1,0,1,0,0|1,0,0]=3 985 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [0,1,0,1,0,0|2,0,0]=4 986 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,1,0,1,0,0|2,0,0]=4 987 B11R2.20 C1=CC2=C(CCCC2)N=C1 5891 [0,1,0,1,0,0|0,0,0]=2 988 B11R2.20 C1=CC2=C(CCNC2)N=C1 15462 [0,1,0,1,0,0|0,0,0]=2 989 B11R2.20 C1=CC2=C(N=C1)NCCO2 18891 [0,1,0,1,0,0|1,0,0]=3 990 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [0,1,0,1,0,0|1,0,0]=3 991 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [0,1,0,1,0,0|1,0,0]=3 992 B11R2.20 C1=CN=C2CCCOC2=C1 27198 [0,1,0,1,0,0|0,0,0]=2 993 B11R2.20 C1=CN=C2OCCOC2=C1 27263 [0,1,0,1,0,0|1,0,0]=3 994 B11R2.20 C1=NC2=C(CCCC2)N=C1 15475 [0,1,0,1,0,0|1,0,0]=3 995 B11R2.20 C1=NC=C2CCCNC2=C1 27821 [0,1,0,1,0,0|2,0,0]=4 996 B11R2.20 C1=NC=NC2=C1CCNC2 34166 [0,1,0,1,0,0|1,0,0]=3 997 B11R2.20 C1=NC=NC2=C1CNCC2 15503 [0,1,0,1,0,0|1,0,0]=3 998 B11R2.20 C1=NC=NC2=C1CNCC2 33335 [0,1,0,1,0,0|1,0,0]=3 999 B11R2.106 BrC1=C2CCCC2=CC=C1 26432 [0,1,0,1,0,0|1,0,0]=3 1000 B11R2.106 BrC1=C2CCNC2=CC=C1 27757 [0,1,0,1,0,0|2,0,0]=4 1001 B11R2.106 BrC1=C2CNCC2=CC=C1 14849 [0,1,0,1,0,0|2,0,0]=4 1002 B11R2.106 BrC1=C2CNCC2=CC=C1 34251 [0,1,0,1,0,0|2,0,0]=4 1003 B11R2.106 BrC1=CC=CC2=C1OCC2 34424 [0,1,0,1,0,0|2,0,0]=4 1004 B11R2.106 CC1=C2NCCC2=CC=C1 8319 [0,1,0,1,0,0|2,0,0]=4 1005 B11R2.106 ClC1=C2CCCC2=NC=C1 26170 [0,1,0,1,0,0|0,0,0]=2 1006 B11R2.106 ClC1=C2CCNC2=CC=C1 7324 [0,1,0,1,0,0|2,0,0]=4 1007 B11R2.106 ClC1=C2CNCC2=CC=C1 18080 [0,1,0,1,0,0|2,0,0]=4 1008 B11R2.106 ClC1=C2CNCC2=CC=C1 18082 [0,1,0,1,0,0|2,0,0]=4 1009 B11R2.106 ClC1=NC=NC2=C1CCN2 15008 [0,1,0,1,0,0|2,0,0]=4 1010 B11R2.106 ClC1=NC=NC2=C1CSC2 15467 [0,1,0,1,0,0|2,0,0]=4 1011 B11R2.106 FC1=C2CCNC2=CC=C1 16911 [0,1,0,1,0,0|2,0,0]=4 1012 B11R2.106 Fc1cccc2c1CNC2 17379 [0,1,0,1,0,0|2,0,0]=4 1013 B11R2.106 NC1=CC=CC2=C1CCN2 25090 [0,1,0,1,0,0|2,0,0]=4 1014 B11R2.106 NC1=CC=CC2=C1CNC2 18061 [0,1,0,1,0,0|2,0,0]=4 1015 B11R2.106 NC1=CC=CC2=C1CNC2 22063 [0,1,0,1,0,0|2,0,0]=4 1016 B11R2.106 NC1=CC=CC2=C1CNC2 33256 [0,1,0,1,0,0|2,0,0]=4 1017 B11R2.106 OC1=CC=CC2=C1CCC2 24129 [0,1,0,1,0,0|1,0,0]=3 1018 B11R2.106 OC1=CC=CC2=C1CCN2 25096 [0,1,0,1,0,0|2,0,0]=4 1019 B11R2.106 OC1=CC=CC2=C1CNC2 17684 [0,1,0,1,0,0|2,0,0]=4 1020 B11R2.106 OC1=CC=CC2=C1CNC2 24314 [0,1,0,1,0,0|2,0,0]=4 1021 B11R2.35 BrC1=CC(C2CC2)=CC=C1 22120 [0,1,0,1,0,0|1,0,0]=3 1022 B11R2.35 BrC1=CC(C2CC2)=CN=C1 22078 [0,1,0,1,0,0|2,0,0]=4 1023 B11R2.35 BrC1=NC(C2CC2)=CC=C1 27622 [0,1,0,1,0,0|0,0,0]=2 1024 B11R2.35 ClC1=CC=CC(C2CO2)=C1 32041 [0,1,0,1,0,0|2,0,0]=4 1025 B11R2.35 ClC1=CC=CC([C@@H]2CO2)=C1 5666 [0,1,0,1,0,0|2,0,0]=4 1026 B11R2.35 ClC1=CC=CC([C@H]2CO2)=C1 3901 [0,1,0,1,0,0|2,0,0]=4 1027 B11R2.35 ClC1=NC(C2CC2)=CN=C1 20299 [0,1,0,1,0,0|1,0,0]=3 1028 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,1,0,1,0,0|1,0,1]=4 1029 B11R2.1 CC1=CNC2=NC=CC=C12 19349 [0,1,0,1,0,0|0,0,2]=4 1030 B11R2.1 CC1=NNC2=NC=CC=C12 32568 [0,1,0,1,0,0|1,0,1]=4 1031 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,1,0,1,0,0|1,0,1]=4 1032 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,1,0,1,0,0|1,0,0]=3 1033 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,1,0,1,0,0|1,0,0]=3 1034 B11R2.1 NC1COC2=NC=CC=C21 34572 [0,1,0,1,0,0|1,0,0]=3 1035 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,1,0,1,0,0|1,0,0]=3 1036 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,1,0,1,0,0|1,0,0]=3 1037 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,1,0,1,0,0|1,0,0]=3 1038 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,1,0,1,0,0|1,0,1]=4 1039 B11R2.1 O=C1CCc2ncccc21 26187 [0,1,0,1,0,0|0,0,1]=3 1040 B11R2.1 O=C1COC2=NC=CC=C12 24153 [0,1,0,1,0,0|1,0,1]=4 1041 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,1,0,1,0,0|1,0,0]=3 1042 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,1,0,1,0,0|1,0,0]=3 1043 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,1,0,1,0,0|1,0,0]=3 1044 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,1,0,1,0,0|1,0,0]=3 1045 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [0,1,0,1,0,0|1,0,0]=3 1046 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [0,1,0,1,0,0|1,0,0]=3 1047 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,1,0,1,0,0|1,0,0]=3 1048 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [0,1,0,1,0,0|1,0,0]=3 1049 B7R1.1 BrCC1=CSC=C1 5295 [1,0,0,0,1,0|2,0,0]=4 1050 B7R1.1 BrCC1=NNC=C1 14336 [1,0,0,0,1,0|2,0,0]=4 1051 B7R1.1 CCC1=CC=CS1 5536 [1,0,0,0,1,0|1,0,0]=3 1052 B7R1.1 CCC1=NC=CN1 15972 [1,0,0,0,1,0|1,0,0]=3 1053 B7R1.1 CCN1C=CC=C1 35829 [1,0,0,0,1,0|1,0,0]=3 1054 B7R1.1 CCN1C=CN=C1 7605 [1,0,0,0,1,0|2,0,0]=4 1055 B7R1.1 CNC1=NC=CS1 23919 [1,0,0,0,1,0|2,0,0]=4 1056 B7R1.1 COC1=CC=CO1 19998 [1,0,0,0,1,0|2,0,0]=4 1057 B7R1.1 COC1=CC=CS1 12545 [1,0,0,0,1,0|2,0,0]=4 1058 B7R1.1 COC1=CSC=C1 8863 [1,0,0,0,1,0|2,0,0]=4 1059 B7R1.1 CSC1=CNC=N1 14136 [1,0,0,0,1,0|2,0,0]=4 1060 B7R1.1 CSC1=NC=CO1 24606 [1,0,0,0,1,0|2,0,0]=4 1061 B7R1.1 ClCC1=NC=CO1 17601 [1,0,0,0,1,0|2,0,0]=4 1062 B7R1.1 ClCC1=NNC=C1 27656 [1,0,0,0,1,0|2,0,0]=4 1063 B7R1.1 NCC1=CC=CO1 6967 [1,0,0,0,1,0|2,0,0]=4 1064 B7R1.1 NCC1=CC=CS1 22278 [1,0,0,0,1,0|2,0,0]=4 1065 B7R1.1 NCC1=CC=CS1 5606 [1,0,0,0,1,0|2,0,0]=4 1066 B7R1.1 NCC1=COC=N1 24611 [1,0,0,0,1,0|2,0,0]=4 1067 B7R1.1 NCC1=CSC=C1 12348 [1,0,0,0,1,0|2,0,0]=4 1068 B7R1.1 NCC1=NC=CN1 15933 [1,0,0,0,1,0|2,0,0]=4 1069 B7R1.1 NCC1=NC=CN1 16027 [1,0,0,0,1,0|2,0,0]=4 1070 B7R1.1 NCC1=NC=CN1 16028 [1,0,0,0,1,0|2,0,0]=4 1071 B7R1.1 NCC1=NC=CO1 15935 [1,0,0,0,1,0|2,0,0]=4 1072 B7R1.1 NCC1=NOC=C1 15836 [1,0,0,0,1,0|2,0,0]=4 1073 B7R1.1 NCc1nccs1 15843 [1,0,0,0,1,0|2,0,0]=4 1074 B7R1.1 OCC1=CC=CO1 19996 [1,0,0,0,1,0|2,0,0]=4 1075 B7R1.1 OCC1=CC=CS1 5603 [1,0,0,0,1,0|2,0,0]=4 1076 B7R1.1 OCC1=CNC=N1 9502 [1,0,0,0,1,0|2,0,0]=4 1077 B7R1.1 OCC1=COC=C1 6951 [1,0,0,0,1,0|2,0,0]=4 1078 B7R1.1 OCC1=CSC=C1 8860 [1,0,0,0,1,0|2,0,0]=4 1079 B7R1.1 OCC1=NC=CS1 10257 [1,0,0,0,1,0|2,0,0]=4 1080 B7R1.1 OCC1=NNC=C1 14333 [1,0,0,0,1,0|2,0,0]=4 1081 B7R1.1 OCC1=NOC=C1 24952 [1,0,0,0,1,0|2,0,0]=4 1082 B7R1.1 OCN1C=CC=N1 7853 [1,0,0,0,1,0|2,0,0]=4 1083 B7R1.1 SCC1=CC=CO1 10566 [1,0,0,0,1,0|2,0,0]=4