0 B8R1.1 CC1=CC(CN)=NO1 094980 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC(CN)=NO1 358781 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC(CO)=NO1 017477 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 CC1=CC=C(C=O)O1 216646 [0,0,0,0,0,0|0,0,2]=2 4 B8R1.1 CC1=CC=C(C=O)S1 045074 [0,0,0,0,0,0|0,1,2]=3 5 B8R1.1 CC1=CC=C(CN)O1 225706 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.1 CC1=CC=C(CO)O1 013649 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.1 CC1=CC=C(CO)S1 362444 [0,0,0,0,0,0|0,1,0]=1 8 B8R1.1 CC1=CSC(C#N)=C1 023897 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 CC1=CSC(C=O)=N1 065270 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.1 CC1=CSC(CN)=C1 023898 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 CC1=NC(C#N)=CS1 017216 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=NC(CCl)=CS1 016133 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 CC1=NNC(CN)=C1 058640 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC1=NOC(CCl)=N1 219873 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CCC1=NC=C(C)N1 403581 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 CCC1=NN=C(N)O1 009901 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CCN1C=C[N+](C)=C1 245878 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CN1C=C(CN)C=N1 030587 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CN1C=CC(CN)=N1 030355 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.1 ClCC1=CN=C(Cl)S1 016115 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.1 NCC1=CC(Br)=CS1 091824 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [0,0,0,0,0,0|1,0,3]=4 23 B8R1.1 O=C1OCC(CO)O1 521458 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.1 O=CC1=CC=C(Br)O1 010657 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.1 O=CC1=CC=C(Br)S1 065250 [0,0,0,0,0,0|1,1,2]=4 26 B8R1.1 O=CC1=CC=C(Cl)S1 013487 [0,0,0,0,0,0|1,1,2]=4 27 B8R1.1 OCC1=CN=C(Br)S1 079893 [0,0,0,0,0,0|2,1,0]=3 28 B7R1.1 C(=O)C1=CC=CS1 003419 [1,0,0,0,0,0|0,1,2]=4 29 B7R1.1 CCC1=CC=CN1 002567 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.1 CCC1=CC=CS1 001177 [1,0,0,0,0,0|1,1,0]=3 31 B7R1.1 CCC1=CSC=C1 006141 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 CCC1=NC=CN1 018684 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 CCN1C=CC=C1 002566 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 CCN1C=CC=N1 068645 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 ClCC1=CNC=N1 016135 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 ClCC1=CSC=N1 013925 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 ClCC1=NC=CN1 023425 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 N#CC1=CC=CN1 024315 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 N#CC1=CC=CS1 008056 [1,0,0,0,0,0|1,1,1]=4 40 B7R1.1 NCC1=CC=CO1 358202 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.1 NCC1=CC=CS1 092186 [1,0,0,0,0,0|1,1,0]=3 42 B7R1.1 NCC1=CN=CO1 076442 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 NCC1=COC=N1 219245 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 NCC1=NC=CS1 013114 [1,0,0,0,0,0|2,1,0]=4 45 B7R1.1 NCC1=NNC=C1 043021 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 O=CC1=CC=CN1 043867 [1,0,0,0,0,0|1,0,2]=4 47 B7R1.1 O=CC1=CC=CO1 053252 [1,0,0,0,0,0|0,0,2]=3 48 B7R1.1 O=CC1=CC=CO1 104085 [1,0,0,0,0,0|0,0,2]=3 49 B7R1.1 OCC1=CC=CO1 143000 [1,0,0,0,0,0|0,0,0]=1 50 B7R1.1 OCC1=CC=CS1 208652 [1,0,0,0,0,0|0,1,0]=2 51 B7R1.1 OCC1=CN=CS1 016175 [1,0,0,0,0,0|1,1,0]=3 52 B7R1.1 OCC1=CNC=N1 016121 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 OCC1=CNC=N1 067734 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 OCC1=COC=C1 092657 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 OCC1=CSC=C1 067714 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.1 OCC1=CSC=N1 016174 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.1 OCC1=NC=CS1 067720 [1,0,0,0,0,0|1,1,0]=3 58 B7R1.1 OCN1C=CC=N1 078295 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 SCC1=CC=CO1 002796 [1,0,0,0,0,0|0,1,0]=2 60 B7R1.1 SCC1=CC=CS1 104865 [1,0,0,0,0,0|0,2,0]=3 61 B7R1.2 BrC1=CC=C(Br)S1 001056 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.2 CC1=CC(Br)=CS1 022016 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.2 CC1=CC(C)=NN1 037857 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.2 CC1=CC(C)=NO1 023218 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.2 CC1=CC=C(Br)S1 024230 [1,0,0,0,0,0|1,1,0]=3 66 B7R1.2 CC1=CC=C(C)N1 236653 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.2 CC1=CC=C(C)S1 002791 [1,0,0,0,0,0|0,1,0]=2 68 B7R1.2 CC1=CC=C(I)S1 002582 [1,0,0,0,0,0|1,1,0]=3 69 B7R1.2 CC1=CCC(=O)O1 098871 [1,0,0,0,0,0|0,0,2]=3 70 B7R1.2 CC1=CCC(=O)O1 107050 [1,0,0,0,0,0|0,0,2]=3 71 B7R1.2 CC1=CN=C(Br)S1 067363 [1,0,0,0,0,0|2,1,0]=4 72 B7R1.2 CC1=CN=C(N)S1 011366 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.2 CC1=CNC(Br)=N1 222056 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.2 CC1=CNC(C)=N1 078094 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.2 CC1=COC(N)=N1 016110 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 CC1=CSC(Br)=N1 016134 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.2 CC1=CSC(C)=N1 002760 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.2 CC1=CSC(N)=N1 023295 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.2 CC1=NC(Br)=CN1 209279 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.2 CC1=NC=C(I)N1 077607 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.2 CC1=NN(C)C=C1 038245 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.2 CC1=NN=C(N)O1 009900 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 CC1=NNC(C)=N1 233300 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 CN1C=CC(Br)=N1 093190 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.2 CN1C=CC(Cl)=N1 044766 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.2 CN1C=CC(I)=N1 047530 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.2 CN1C=CC(N)=N1 025069 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.2 ClC1=CC=C(Cl)S1 002955 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.2 NC1=NC(O)=CS1 319245 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.2 O=C1C=CC(=O)N1 011793 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.2 O=C1C=CC(=O)O1 101524 [1,0,0,0,0,0|1,0,1]=3 92 B7R1.2 O=C1C=CC(=O)O1 241019 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.21 CCN1C=CC(CN)=N1 030479 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.21 O=CC1=CC=C(CO)O1 065253 [0,1,0,0,0,0|0,0,1]=2 95 B9R1.21 OCC1=CC=C(CO)O1 079832 [0,1,0,0,0,0|0,0,0]=1 96 B9R1.22 CC1=C(CCl)OC(=O)O1 079667 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.22 CC1=CC(C)=C(C=O)N1 077848 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.22 CC1=CC(C)=NN1CO 031637 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.22 CC1=CC(CN)=C(C)O1 044303 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.22 CCN1N=C(C)C=C1N 030192 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.23 CC1=C(C)SC(C=O)=C1 024276 [0,1,0,0,0,0|0,1,2]=4 102 B9R1.23 CCC1=NC(C)=C(C)S1 009626 [0,1,0,0,0,0|2,1,0]=4 103 B9R1.23 CCN1C=C(Br)C(C)=N1 026156 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.35 CC(=O)C1=CC=C(C)S1 001262 [0,1,0,0,0,0|0,1,2]=4 105 B9R1.35 CC1=CC=C(C(=O)O)O1 014513 [0,1,0,0,0,0|0,0,1]=2 106 B9R1.35 CC1=CC=C(C(=O)O)S1 045076 [0,1,0,0,0,0|0,1,1]=3 107 B9R1.35 CC1=CN=C(C(=O)O)S1 044786 [0,1,0,0,0,0|1,1,1]=4 108 B9R1.35 CC1=CSC(B(O)O)=C1 011050 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 CC1=CSC(C(=O)O)=C1 023894 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.35 CC1=CSC(C(C)C)=N1 009624 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 CC1=NC=C(C(=O)O)O1 227751 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.35 CC1=NC=C(C(=O)O)S1 044774 [0,1,0,0,0,0|1,1,1]=4 113 B9R1.35 CN1C=CC(C(=O)O)=N1 014532 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.35 O=C(O)C1=CC=C(Br)O1 020339 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.35 O=C(O)C1=CC=C(Br)S1 114300 [0,1,0,0,0,0|1,1,1]=4 116 B9R1.35 O=C(O)C1=CC=C(Cl)S1 014515 [0,1,0,0,0,0|1,1,1]=4 117 B9R1.35 OB(O)C1=CC=C(Br)S1 045259 [0,1,0,0,0,0|2,1,0]=4 118 B9R1.132 CC1=CC=C(C#N)N1C 242339 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.4 CCC\C=C\C(=O)O 002797 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.4 C\C=C\C=C\C(=O)O 104773 [0,0,1,0,0,0|2,0,1]=4 121 B9R1.1 BrCC1=CC=C(Br)C=C1 001368 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.1 BrCC1=CC=C(I)C=C1 018740 [0,0,0,0,0,1|3,0,0]=4 123 B9R1.1 C#CC1=CC=C(C)C=C1 040031 [0,0,0,0,0,1|2,0,1]=4 124 B9R1.1 C=CC1=CC=C(C)C=C1 236761 [0,0,0,0,0,1|2,0,1]=4 125 B9R1.1 CC1=CC=C(C#N)C=C1 035883 [0,0,0,0,0,1|2,0,1]=4 126 B9R1.1 CC1=CC=C(C=O)C=C1 236923 [0,0,0,0,0,1|1,0,2]=4 127 B9R1.1 CC1=CC=C(CBr)C=C1 227793 [0,0,0,0,0,1|2,0,0]=3 128 B9R1.1 CC1=CC=C(CCl)C=C1 088360 [0,0,0,0,0,1|2,0,0]=3 129 B9R1.1 CC1=CC=C(CN)C=C1 078842 [0,0,0,0,0,1|2,0,0]=3 130 B9R1.1 CC1=CC=C(CO)C=C1 216000 [0,0,0,0,0,1|1,0,0]=2 131 B9R1.1 CC1=CC=C(NN)C=C1 043499 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.1 CC1=CC=C(NN)C=C1 043656 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.1 CC1=CN=C(C#N)C=C1 024687 [0,0,0,0,0,1|2,0,1]=4 134 B9R1.1 CC1=CN=C(CN)C=N1 009009 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.1 CC1=NC=C(C#N)C=C1 003363 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.1 CCC1=CC=C(Br)C=C1 001119 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.1 CCC1=CC=C(C)C=C1 235264 [0,0,0,0,0,1|2,0,0]=3 138 B9R1.1 CCC1=CC=C(Cl)C=C1 001266 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.1 CCC1=CC=C(F)C=C1 018681 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.1 CCC1=CC=C(I)C=C1 006113 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.1 CCC1=CC=C(N)C=C1 099641 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.1 CCC1=CC=C(O)C=C1 241020 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.1 CCC1=CN=C(C)C=C1 222089 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.1 CCC1=NC=C(Br)C=C1 077907 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.1 CCC1=NC=C(C)N=C1 225679 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.1 CNC1=CC=C(C)C=C1 009655 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.1 COC1=CC=C(C)C=C1 239388 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.1 CSC1=CC=C(C)C=C1 001781 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.1 ClC1=CC=C(CBr)C=C1 118700 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.1 ClCC1=CC=C(Br)C=C1 002483 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.1 ClCC1=CC=C(Cl)C=C1 079221 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.1 ClCC1=CN=C(Cl)C=C1 019460 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.1 FC1=CC=C(CBr)C=C1 002963 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.1 FC1=CC=C(CCl)C=C1 006201 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.1 FC1=CC=C(CS)C=C1 006206 [0,0,0,0,0,1|2,1,0]=4 156 B9R1.1 NC1=CC=C(CO)C=C1 092096 [0,0,0,0,0,1|2,0,0]=3 157 B9R1.1 NC1=CC=C(CO)C=N1 077326 [0,0,0,0,0,1|2,0,0]=3 158 B9R1.1 NC1=CC=C(CO)C=N1 104746 [0,0,0,0,0,1|2,0,0]=3 159 B9R1.1 NCC1=CC=C(Br)C=C1 042893 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.1 NCC1=CC=C(Cl)C=C1 092218 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.1 NCC1=CC=C(F)C=C1 006199 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.1 NCC1=CC=C(O)C=C1 023452 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.1 NCC1=CC=C(O)C=C1 047973 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.1 NCC1=CN=C(Cl)C=C1 065444 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.1 OCC1=CC=C(Br)C=C1 008822 [0,0,0,0,0,1|2,0,0]=3 166 B9R1.1 OCC1=CC=C(Cl)C=C1 008823 [0,0,0,0,0,1|2,0,0]=3 167 B9R1.1 OCC1=CC=C(F)C=C1 001624 [0,0,0,0,0,1|2,0,0]=3 168 B9R1.1 OCC1=CC=C(I)C=C1 093387 [0,0,0,0,0,1|2,0,0]=3 169 B9R1.1 OCC1=CC=C(O)C=C1 078884 [0,0,0,0,0,1|2,0,0]=3 170 B9R1.1 OCC1=CN=C(Cl)C=C1 067692 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.1 OCC1=NC=C(Br)C=C1 036351 [0,0,0,0,0,1|2,0,0]=3 172 B9R1.1 SCC1=CC=C(Br)C=C1 024343 [0,0,0,0,0,1|2,1,0]=4 173 B9R1.1 SCC1=CC=C(Cl)C=C1 545320 [0,0,0,0,0,1|2,1,0]=4 174 B9R1.2 BrCC1=CC(Br)=CC=C1 001367 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.2 BrCC1=CC(I)=CC=C1 018739 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.2 C#CC1=CC(C)=CC=C1 040032 [0,0,0,0,0,1|2,0,1]=4 177 B9R1.2 C(=O)C1=CC(C)=CC=C1 001390 [0,0,0,0,0,1|1,0,2]=4 178 B9R1.2 CC1=CC(C#N)=NC=C1 068419 [0,0,0,0,0,1|2,0,1]=4 179 B9R1.2 CC1=CC(C=O)=NC=C1 033041 [0,0,0,0,0,1|1,0,2]=4 180 B9R1.2 CC1=CC(NN)=CC=C1 033721 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.2 CC1=CC=CC(C#N)=C1 035881 [0,0,0,0,0,1|2,0,1]=4 182 B9R1.2 CC1=CC=CC(C#N)=N1 077340 [0,0,0,0,0,1|2,0,1]=4 183 B9R1.2 CC1=CC=CC(C=O)=N1 021900 [0,0,0,0,0,1|1,0,2]=4 184 B9R1.2 CC1=CC=CC(CBr)=C1 067812 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.2 CC1=CC=CC(CN)=C1 008878 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.2 CC1=CC=CC(CO)=C1 102453 [0,0,0,0,0,1|1,0,0]=2 187 B9R1.2 CC1=CC=CC(CO)=N1 092614 [0,0,0,0,0,1|1,0,0]=2 188 B9R1.2 CC1=CN=CC(C#N)=C1 024699 [0,0,0,0,0,1|2,0,1]=4 189 B9R1.2 CC1=NC(NN)=CC=C1 038575 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.2 CCC1=CC(I)=CC=C1 037712 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.2 CCC1=CC=CC(Br)=C1 024168 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.2 CCC1=CC=CC(N)=C1 043276 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.2 CCC1=CC=CC(N)=N1 095025 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.2 COC1=CC=CC(C)=C1 342147 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.2 COC1=NC(C)=CC=C1 040046 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.2 CSC1=CC(C)=CC=C1 019356 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.2 ClC1=CC=CC(CBr)=C1 024563 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.2 FC1=CC=CC(CBr)=C1 002171 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.2 FC1=CC=CC(CCl)=C1 001632 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.2 FC1=CC=CC(CS)=C1 024342 [0,0,0,0,0,1|2,1,0]=4 201 B9R1.2 NC1=CC=CC(CO)=C1 008828 [0,0,0,0,0,1|2,0,0]=3 202 B9R1.2 NCC1=CC(Br)=CC=C1 075951 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.2 NCC1=CC(Cl)=CC=C1 008869 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.2 NCC1=CC(F)=CC=C1 006198 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.2 NCC1=CC(N)=NC=C1 077092 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.2 NCC1=CC=CC(Br)=C1 242605 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.2 NCC1=CC=CC(I)=C1 079620 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.2 NCC1=CC=CC(O)=C1 023455 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.2 NCC1=CN=CC(Cl)=C1 091239 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.2 NCC1=NC(Br)=CC=C1 215138 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.2 OCC1=CC(Br)=CC=C1 001365 [0,0,0,0,0,1|2,0,0]=3 212 B9R1.2 OCC1=CC(Br)=CN=C1 077270 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.2 OCC1=CC(Cl)=CC=C1 001376 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.2 OCC1=CC(F)=CC=C1 002170 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.2 OCC1=NC(Cl)=CC=C1 067703 [0,0,0,0,0,1|2,0,0]=3 216 B9R1.2 OCC1=NC=CC(Br)=C1 075766 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.2 SCC1=CC(Br)=CC=C1 024349 [0,0,0,0,0,1|2,1,0]=4 218 B6R0.1 C=CC(=O)NCO 243116 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.1 C=CC(=O)OCC 094594 [1,0,1,0,0,0|0,0,2]=4 220 B6R0.1 C=COC(=O)CC 005111 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.1 CCOC(=O)CO 227697 [1,0,1,0,0,0|1,0,1]=4 222 B6R0.1 CC\C=C(/C)C=O 103302 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.2 C=C(C)C=C(C)C 104537 [1,0,1,0,0,0|1,0,1]=4 224 B6R0.2 C=C(C)OC(C)=O 101993 [1,0,1,0,0,0|1,0,0]=3 225 B6R0.2 CC(=O)OC(C)=O 035908 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.2 CC(=O)OC(C)=O 099749 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.4 C(CC)=CC(=O)O 001396 [1,0,1,0,0,0|0,0,2]=4 228 B6R0.4 CC(=O)OCCO 046708 [1,0,1,0,0,0|1,0,1]=4 229 B6R0.4 CO\C=C\C(C)=O 099154 [1,0,1,0,0,0|1,0,1]=4 230 B6R0.6 C=CCOCCO 099544 [1,0,1,0,0,0|0,0,2]=4 231 B6R0.6 CC\C=C/CCO 240925 [1,0,1,0,0,0|0,0,2]=4 232 B6R0.6 C\C=C\C=C\C=O 242913 [1,0,1,0,0,0|0,0,2]=4 233 B6R0.6 C\C=C\CCCO 433438 [1,0,1,0,0,0|0,0,2]=4 234 B6R1.2 BrC1=CC=CO1 067357 [2,0,0,0,0,0|1,0,0]=3 235 B6R1.2 BrC1=CC=CS1 001055 [2,0,0,0,0,0|1,1,0]=4 236 B6R1.2 CC1=CC=CN1 214609 [2,0,0,0,0,0|1,0,0]=3 237 B6R1.2 CC1=CC=CO1 463359 [2,0,0,0,0,0|0,0,0]=2 238 B6R1.2 CC1=CC=CS1 001209 [2,0,0,0,0,0|0,1,0]=3 239 B6R1.2 CC1=CNC=N1 078608 [2,0,0,0,0,0|2,0,0]=4 240 B6R1.2 CC1=COC=N1 224056 [2,0,0,0,0,0|2,0,0]=4 241 B6R1.2 CC1=CSC=C1 003448 [2,0,0,0,0,0|2,0,0]=4 242 B6R1.2 CC1=CSC=N1 002765 [2,0,0,0,0,0|2,0,0]=4 243 B6R1.2 CC1=NC=CN1 157400 [2,0,0,0,0,0|2,0,0]=4 244 B6R1.2 CC1=NNC=C1 033183 [2,0,0,0,0,0|2,0,0]=4 245 B6R1.2 CN1C=CC=C1 044896 [2,0,0,0,0,0|2,0,0]=4 246 B6R1.2 CN1C=CC=N1 046854 [2,0,0,0,0,0|2,0,0]=4 247 B6R1.2 ClC1=CC=CS1 002954 [2,0,0,0,0,0|1,1,0]=4 248 B6R1.2 IC1=CC=CS1 001058 [2,0,0,0,0,0|1,1,0]=4 249 B6R1.2 NC1=NC=CO1 043635 [2,0,0,0,0,0|2,0,0]=4 250 B6R1.2 O=C1C=CCO1 095003 [2,0,0,0,0,0|0,0,2]=4 251 B6R1.2 SC1=CC=CS1 018767 [2,0,0,0,0,0|0,2,0]=4 252 B8R0.8 C=C(C)C(=O)OCCO 358471 [0,1,1,0,0,0|1,0,1]=4 253 B8R1.7 CC(=O)C1=CC=CO1 088461 [1,1,0,0,0,0|0,0,2]=4 254 B8R1.7 CC(N)C1=CC=CS1 044441 [1,1,0,0,0,0|1,1,0]=4 255 B8R1.7 NC(=O)C1=CC=CO1 317695 [1,1,0,0,0,0|0,0,2]=4 256 B8R1.7 NC(=S)C1=CC=CO1 068584 [1,1,0,0,0,0|0,1,1]=4 257 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [1,1,0,0,0,0|0,0,2]=4 258 B8R1.7 O=C(O)C1=CC=CN1 066141 [1,1,0,0,0,0|1,0,1]=4 259 B8R1.7 O=C(O)C1=CC=CO1 093393 [1,1,0,0,0,0|0,0,1]=3 260 B8R1.7 O=C(O)C1=CC=CS1 003042 [1,1,0,0,0,0|0,1,1]=4 261 B8R1.7 O=C(O)C1=CC=NO1 017345 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.7 O=C(O)C1=NC=CO1 047101 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.7 OB(O)C1=CC=CO1 010999 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.8 CCCC1=CC=CS1 003676 [1,1,0,0,0,0|1,1,0]=4 265 B8R1.8 CNCC1=CC=CO1 226183 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.8 CNCC1=CC=CS1 065484 [1,1,0,0,0,0|1,1,0]=4 267 B8R1.8 N#CCC1=CC=CS1 003048 [1,1,0,0,0,0|1,1,0]=4 268 B8R1.8 NCCC1=CC=CS1 021380 [1,1,0,0,0,0|1,1,0]=4 269 B8R1.8 OCCC1=CC=CS1 208753 [1,1,0,0,0,0|0,1,0]=3 270 B8R1.8 OCCC1=CSC=C1 076012 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.8 OCCN1C=CC=N1 036257 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.11 CC1=C(CO)NC=N1 077905 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.11 CC1=C(CO)SC=N1 217920 [1,1,0,0,0,0|1,1,0]=4 274 B8R1.11 CN1C=CN=C1CO 067732 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.11 CN1C=NC=C1CO 236726 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.18 CC1=CC(=O)OC1=O 236869 [1,1,0,0,0,0|1,0,1]=4 277 B8R1.18 CC1=CC(=O)OC1O 091998 [1,1,0,0,0,0|1,0,1]=4 278 B8R1.18 CC1=CC(C)=NN1C 019024 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.18 CC1=NC(C)=C(Br)S1 067367 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.18 CC1=NN(C)C(N)=C1 017422 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.18 O=C1C=C(Br)C(=O)O1 092750 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.1 CC1=CC=C(\C=N\O)C=C1 300271 [0,1,0,0,0,1|1,0,1]=4 286 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.1 [NH3+]OCC1=CC=C(F)C=C1 010009 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.3 BrCC1=CC=C(CBr)C=C1 041016 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.3 CCC1=CC=C(CCl)C=C1 018680 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.3 CCC1=CC=C(CO)C=C1 237130 [0,1,0,0,0,1|1,0,0]=3 299 B10R1.3 CCC1=CC=C(OC)C=C1 235779 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.3 CCC1=CC=C(SC)C=C1 019350 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.3 COC1=CC=C(CBr)C=C1 067817 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.3 COC1=CC=C(CN)C=C1 008876 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.3 COC1=CC=C(CO)C=C1 094474 [0,1,0,0,0,1|1,0,0]=3 304 B10R1.3 COC1=CC=C(CS)C=C1 050468 [0,1,0,0,0,1|1,1,0]=4 305 B10R1.3 CSC1=CC=C(CCl)C=C1 018873 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.3 CSC1=CC=C(CN)C=C1 009292 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.3 CSC1=CC=C(CO)C=C1 103356 [0,1,0,0,0,1|1,0,0]=3 308 B10R1.3 ClCC1=CC=C(CCl)C=C1 099057 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.3 N#CC1=CC=C(CO)C=C1 306933 [0,1,0,0,0,1|1,0,1]=4 310 B10R1.3 NCC1=CC=C(CO)C=C1 036740 [0,1,0,0,0,1|1,0,0]=3 311 B10R1.3 O=CC1=CC=C(CO)C=C1 222581 [0,1,0,0,0,1|1,0,1]=4 312 B10R1.3 OCC1=CC=C(CO)C=C1 225421 [0,1,0,0,0,1|1,0,0]=3 313 B10R1.13 CC(O)C1=CC=C(Br)C=C1 001129 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 002971 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.13 CC(O)C1=CC=C(F)C=C1 001295 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.13 CC1=CC=C(B(O)O)C=C1 010854 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.13 CC1=CC=C(C(=O)O)C=C1 094627 [0,1,0,0,0,1|1,0,1]=4 318 B10R1.13 CC1=CC=C(C(=O)O)C=N1 043432 [0,1,0,0,0,1|1,0,1]=4 319 B10R1.13 CC1=CC=C(C(C)C)C=C1 048590 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.13 CC1=CC=C(C(C)C)CC1 099689 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.13 CC1=CC=C(C(C)N)C=C1 075281 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [0,1,0,0,0,1|1,0,0]=3 323 B10R1.13 CC1=CC=C(C(C)O)C=N1 024704 [0,1,0,0,0,1|1,0,0]=3 324 B10R1.13 CC1=CC=C(S(=O)O)C=C1 080223 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 022248 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.25 CC1=CC(F)=C(CN)C=C1 342555 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.25 CC1=CC=C(CN)C(C)=C1 018614 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.25 CCC1=C(C)C=C(C)C=N1 450509 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.25 CCC1=C(N)N=C(C)C=C1 430516 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.25 OCC1=C(Br)C=C(F)C=C1 013215 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 008825 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 005623 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.25 OCC1=C(F)C=C(Br)C=C1 013219 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 009419 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.25 OCC1=C(F)C=C(F)C=C1 001921 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 065393 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.176 CC1=C(F)C=C(CBr)C=C1 005799 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.176 CC1=C(F)C=C(CN)C=C1 005796 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.176 CC1=C(F)C=CC(CO)=C1 005794 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.176 CC1=CC=C(CCl)C=C1C 018620 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.176 CC1=CC=C(CN)C=C1C 018617 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.176 CC1=CC=C(CO)C=C1C 237644 [0,1,0,0,0,1|1,0,0]=3 343 B10R1.176 O=C1C=C(CO)OC=C1O 046837 [0,1,0,0,0,1|1,0,0]=3 344 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 044560 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.176 OCC1=CC(Br)=C(F)C=C1 013217 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.176 OCC1=CC(Cl)=C(Br)C=C1 044809 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 008824 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.176 OCC1=CC(Cl)=C(Cl)N=C1 067706 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.176 OCC1=CC(Cl)=C(F)C=C1 005626 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 022247 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.176 OCC1=CC(F)=C(F)C=C1 002084 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.176 OCC1=CC=C(Br)C(F)=C1 091491 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.2 CC1=C(C)C(CN)=CC=C1 018613 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.2 CC1=C(F)C(CN)=CC=C1 069731 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.2 CC1=C(N)C(CO)=CC=C1 239747 [0,1,0,0,0,1|1,0,0]=3 356 B10R1.2 CC1=CC=CC(CBr)=C1F 006281 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.2 CCC1=C(Br)C(C)=CC=C1 038639 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.2 OCC1=C(F)C(Cl)=CC=C1 005625 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.2 OCC1=C(F)C(F)=CC=C1 001862 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.2 OCC1=CC=CC(Cl)=C1Cl 216667 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.8 CC1=CC(C)=CC(CBr)=C1 003416 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.8 CC1=CC(C)=CC(CN)=C1 008879 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 033769 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.8 OCC1=CC(Br)=CC(F)=C1 013218 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 013039 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.8 OCC1=CC(Cl)=CC(F)=C1 022246 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.8 OCC1=CC(Cl)=NC(Cl)=C1 023565 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.8 OCC1=CC(F)=CC(F)=C1 002114 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.8 OCC1=CC(O)=CC(O)=C1 092993 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.10 CC1=CC(CC#N)=CC=C1 092558 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [0,1,0,0,0,1|1,0,0]=3 372 B10R1.10 CCNC1=CC=CC(C)=C1 216666 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.10 [NH3+]OCC1=CC(F)=CC=C1 010010 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.30 CC1=C(CO)C=C(F)C=C1 005795 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.30 CC1=CC(CO)=C(O)C=C1 104296 [0,1,0,0,0,1|1,0,0]=3 383 B10R1.30 CC1=CC=C(C)C(CN)=C1 018615 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.30 CC1=CC=C(N)C(CO)=C1 338195 [0,1,0,0,0,1|1,0,0]=3 385 B10R1.30 NC1=CC=C(Cl)C=C1CO 242435 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.30 OCC1=C(Br)C=CC(Cl)=C1 033229 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.30 OCC1=C(Br)C=CC(F)=C1 013216 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 005624 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.30 OCC1=C(F)C=CC(Br)=C1 013220 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.30 OCC1=C(F)C=CC(Cl)=C1 005627 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.30 OCC1=C(F)C=CC(F)=C1 001938 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.30 OCC1=CC(Br)=CC=C1Cl 220023 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.30 OCC1=CC(Cl)=CC=C1Cl 329563 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.30 OCC1=CC(Cl)=CC=C1O 018378 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.113 CC(O)C1=CC(Br)=CC=C1 003550 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 353644 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.113 CC(O)C1=CC(F)=CC=C1 006338 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.113 CC(O)C1=NC(Br)=CC=C1 217816 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.113 CC1=CC(B(O)O)=CC=C1 010853 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.113 CC1=CC(C(=O)O)=CC=C1 242869 [0,1,0,0,0,1|1,0,1]=4 401 B10R1.113 CC1=CC(C(=O)O)=CC=N1 045782 [0,1,0,0,0,1|1,0,1]=4 402 B10R1.113 CC1=CC=CC(C(=O)O)=N1 011322 [0,1,0,0,0,1|1,0,1]=4 403 B10R1.113 CC1=CC=CC(C(C)O)=C1 033735 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.113 CC1=CN=CC(B(O)O)=C1 076877 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.113 CC1=CN=CC(C(=O)O)=C1 024697 [0,1,0,0,0,1|1,0,1]=4 406 B10R1.113 CC1=NC(C(F)F)=CC=C1 050581 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.172 BrCC1=CC=CC(CBr)=C1 237159 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.172 COC1=CC(CCl)=CC=C1 018781 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.172 COC1=CC(CO)=CC=C1 235697 [0,1,0,0,0,1|1,0,0]=3 410 B10R1.172 COC1=CC=CC(CBr)=C1 067808 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.172 COC1=CC=CC(CN)=C1 008880 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.172 COC1=NC=CC(CN)=C1 065469 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.172 N#CC1=CC(CO)=CC=C1 208807 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.172 NCC1=CC=CC(CN)=C1 228080 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.172 OCC1=CC=CC(CO)=C1 463279 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.172 OCC1=CC=CC(CO)=N1 047749 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.14 COC(=O)C1=CC=C(Br)O1 092743 [0,2,0,0,0,0|1,0,1]=4 418 B10R1.14 COC(=O)C1=CC=C(C)O1 013655 [0,2,0,0,0,0|0,0,1]=3 419 B10R1.14 COC(=O)C1=CC=C(C)S1 318766 [0,2,0,0,0,0|0,1,1]=4 420 B10R1.130 CC1=CC(C)=NN1CCO 449186 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.31 O=C(O)C1=CC=C(CO)O1 029067 [0,2,0,0,0,0|0,0,1]=3 422 B10R1.31 O=CC1=CC=C(B(O)O)O1 011036 [0,2,0,0,0,0|1,0,1]=4 423 B10R1.31 O=CC1=CC=C(C(=O)O)O1 009253 [0,2,0,0,0,0|0,0,2]=4 424 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 013553 [0,2,0,0,0,0|0,0,1]=3 425 B10R1.55 CC1=CC=C(C(F)(F)F)O1 032721 [0,2,0,0,0,0|1,0,0]=3 426 B8R1.4 O=C1COCC(=O)O1 053467 [0,0,1,1,0,0|2,0,0]=4 427 B8R1.2 OCC1=CC=CC=C1 094986 [0,0,1,1,0,0|1,0,1]=4 428 B8R1.2 OCC1=CC=CC=C1 105725 [0,0,1,1,0,0|1,0,1]=4 429 B8R1.2 OCC1=CC=CN=C1 208628 [0,0,1,1,0,0|2,0,0]=4 430 B8R1.2 OCC1=CC=CN=N1 045003 [0,0,1,1,0,0|2,0,0]=4 431 B8R1.2 OCC1=NC=CC=C1 043374 [0,0,1,1,0,0|1,0,1]=4 432 B8R1.3 CC1=CC=C(O)C=C1 240310 [0,0,1,1,0,0|1,0,1]=4 433 B8R1.3 CC1=CN=C(O)C=C1 037381 [0,0,1,1,0,0|2,0,0]=4 434 B8R1.3 CC1=NC=C(O)C=C1 076959 [0,0,1,1,0,0|1,0,1]=4 435 B8R1.5 OC1=CC=CC=C1O 005090 [0,0,1,1,0,0|0,0,2]=4 436 B8R1.5 OC1=CC=CN=C1O 045191 [0,0,1,1,0,0|1,0,1]=4