0 B11R1.41 C=CCC1=C(C=O)C=CC=C1 D80914 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 CCOC1=C(C#N)C=CC=C1 CK1045 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 CCOC1=C(C=O)C=CC=C1 L10017 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.41 CCOC1=C(CN)C=CC=C1 F13431 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.41 CCOC1=C(CO)C=CC=C1 D90532 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.41 CCOC1=C(OC)C=CC=C1 34509 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.41 CNCC1=C(OC)C=CC=C1 C10417 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.41 COC1=C(CCBr)C=CC=C1 F19990 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.41 COC1=C(CCN)C=CC=C1 63798 [0,0,0,0,0,0|0,0,0]=0 9 B11R1.41 COC1=C(CCO)C=CC=C1 36337 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.41 COC1=C(N=C=O)C=CC=C1 D77648 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.41 COC1=C(N=C=S)C=CC=C1 D91175 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.41 N#CCC1=C(C#N)C=CC=C1 CK2048 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.41 O=CC1=C(CCBr)C=CC=C1 61408 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.4 BrCCC1=C(Br)C=CC=C1 AB10028 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 C=CCC1=C(Br)C=CC=C1 A10076 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.4 C=CCC1=C(O)C=CC=C1 F18833 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.4 CC1=C(CC#N)C=CC=C1 CK2042 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.4 CC1=C(CCBr)C=CC=C1 F19986 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.4 CC1=C(CCO)C=CC=C1 58187 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.4 CC1=C(N=C=O)C=CC=C1 D78369 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.4 CC1=C(N=C=S)C=CC=C1 C11428 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.4 CC1=C(NC=O)C=CC=C1 W11048 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.4 CCCC1=C(N)C=CC=C1 65648 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.4 CCNC1=C(N)C=CC=C1 D82949 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.4 CCOC1=C(Br)C=CC=C1 75484 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.4 CCOC1=C(O)C=CC=C1 D72674 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.4 CNCC1=C(Br)C=CC=C1 29110 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.4 CNCC1=C(C)C=CC=C1 I12011 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 CNCC1=C(Cl)C=CC=C1 30117 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.4 CNCC1=C(F)C=CC=C1 29111 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.4 CNCC1=C(O)C=CC=C1 D91425 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.4 CSCC1=C(Br)C=CC=C1 W18565 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.4 CSCC1=C(F)C=CC=C1 W18462 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.4 ClC1=C(CCBr)C=CC=C1 CL8847 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.4 FC1=C(CCBr)C=CC=C1 61062 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.4 FC1=C(CCCl)C=CC=C1 AC1210 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.4 N#CCC1=C(Br)C=CC=C1 AB10428 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.4 N#CCC1=C(Cl)C=CC=C1 S12394 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.4 N#CCC1=C(F)C=CC=C1 S12370 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.4 N#CCC1=C(I)C=CC=C1 CK2046 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.4 N#CCC1=C(N)C=CC=C1 CL8752 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.4 NC1=C(CCO)C=CC=C1 28778 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.4 NCCC1=C(Br)C=CC=C1 36255 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.4 NCCC1=C(Cl)C=CC=C1 57778 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.4 NCCC1=C(Cl)C=CC=C1 57779 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.4 NCCC1=C(F)C=CC=C1 28446 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.4 NCCC1=C(N)C=CC=C1 51437 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.4 NNCC1=C(Cl)C=CC=C1 37008 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.4 NNCC1=C(F)C=CC=C1 24533 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.4 NNCC1=C(F)C=CC=C1 37003 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.4 NNCC1=C(F)C=CC=C1 H10997 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.4 NOCC1=C(F)C=CC=C1 F19860 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.4 O=C1C=CC=CN1CCBr AT19230 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.4 O=C1C=CC=CN1CCO AT19225 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.4 OCCC1=C(Br)C=CC=C1 35280 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.4 OCCC1=C(Cl)C=CC=C1 29869 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.4 OCCC1=C(F)C=CC=C1 67766 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.4 OCCC1=C(I)C=CC=C1 I12014 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.4 OCCC1=C(O)C=CC=C1 AB17761 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.4 O\N=C\C1=C(O)C=CC=C1 20497 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.20 BrCC1=C(CBr)C=CC=C1 67590 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.20 C#CC1=C(CN)C=CC=C1 D82700 [1,0,0,0,0,0|1,0,1]=3 63 B10R1.20 C#CC1=C(CO)C=CC=C1 A50664 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.20 C#CC1=C(OC)C=CC=C1 99312 [1,0,0,0,0,0|0,0,2]=3 65 B10R1.20 C=CC1=C(OC)C=CC=C1 W15267 [1,0,0,0,0,0|0,0,2]=3 66 B10R1.20 CCC1=C(C#N)C=CC=C1 75532 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.20 CCC1=C(C#N)C=CN=C1 CL0167 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.20 CCC1=C(C=O)C=CC=C1 67799 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.20 CCC1=C(CO)C=CC=C1 97471 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.20 CCC1=C(NN)C=CC=C1 F11684 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.20 CCC1=NC=CN=C1CC D89888 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.20 CCC1=NC=CN=C1OC AC7777 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.20 CCC1=NC=CN=C1SC D90558 [1,0,0,0,0,0|2,1,0]=4 74 B10R1.20 CNC1=C(CO)C=CC=N1 23263 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.20 CNC1=C(NC)C=CC=C1 F51935 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.20 CNC1=C(OC)C=CC=C1 O10823 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.20 COC1=C(C#N)C=CC=C1 30305 [1,0,0,0,0,0|0,0,2]=3 78 B10R1.20 COC1=C(C#N)N=CC=C1 79551 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.20 COC1=C(C=O)C=CC=C1 D71156 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.20 COC1=C(C=O)C=CC=N1 26015 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.20 COC1=C(C=O)C=NC=C1 32807 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.20 COC1=C(CCl)C=CC=N1 71955 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.20 COC1=C(CN)C=CC=C1 F14886 [1,0,0,0,0,0|0,0,0]=1 84 B10R1.20 COC1=C(CO)C=CC=C1 79243 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.20 COC1=C(CO)C=NC=C1 79189 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.20 COC1=C(NN)C=CC=C1 23651 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.20 COC1=C(OC)C=CC=C1 D70447 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.20 COC1=C(OC)C=NC=C1 F19595 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.20 COC1=C(SC)C=CC=C1 D91542 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.20 COC1=CC=CN=C1OC 75309 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.20 COC1=NC=CC=C1C#N 71633 [1,0,0,0,0,0|1,0,2]=4 92 B10R1.20 COC1=NC=CC=C1CN 36191 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.20 COC1=NC=CC=C1CO CL0061 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.20 N#CC1=C(CBr)C=CC=C1 20433 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.20 N#CC1=C(CCl)C=CC=C1 28719 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.20 N#CC1=C(CN)C=CC=C1 36316 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.20 N#CC1=C(CO)C=CC=C1 75525 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.20 NCC1=C(CN)C=CC=C1 20183 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.20 NCC1=C(CO)C=CC=C1 23734 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.20 OCC1=C(CO)C=CC=C1 35513 [1,0,0,0,0,0|3,0,0]=4 101 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 F11410 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 N11926 [0,1,0,0,0,0|1,0,1]=3 103 B12R1.75 COC1=C(C[C@H](C)O)C=CC=C1 D82158 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 D88200 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 FD7366 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 N10380 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.75 COC1=NC=CN=C1CC(C)C 28463 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 N12422 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC AC1469 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 H10356 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.77 COC1=C(C(=O)C#N)C=CC=C1 AB1477 [0,1,0,0,0,0|0,0,3]=4 112 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 86709 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 AC8262 [0,1,0,0,0,0|1,0,1]=3 114 B12R1.112 COC1=C(CC#N)C=CC(Br)=C1 CL8785 [0,1,0,0,0,0|0,0,2]=3 115 B12R1.121 C#CCOC1=C(OC)C=CC=C1 W16057 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.121 CCCOC1=C(C=O)C=CC=C1 76945 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.121 COC1=C(OCCBr)C=CC=C1 77549 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.121 COC1=C(OCCN)C=CC=C1 30017 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.121 COC1=C(OCCN)C=CC=C1 33513 [0,1,0,0,0,0|0,0,0]=1 120 B12R1.121 COC1=C(OCCN)C=CC=C1 AC1379 [0,1,0,0,0,0|0,0,0]=1 121 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 O10862 [0,1,0,0,0,0|1,0,2]=4 122 B12R1.121 CSC1=C(OCCN)C=CC=C1 31478 [0,1,0,0,0,0|0,1,0]=2 123 B12R1.121 N#CC1=C(OCCN)C=CC=C1 31477 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.121 O=CC1=C(OCCO)C=CC=C1 D90964 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.169 CCNC1=C(NCC)C=CC=C1 AB9073 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.169 CCOC1=C(N=C=S)C=CC=C1 W18339 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.169 CCOC1=C(OCC)C=CC=C1 AC7914 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.169 OCCC1=C(CCO)C=CC=C1 D92918 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.268 CCOC1=C(OC)C=CC(Br)=C1 W17050 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.268 COC1=C(CC#N)C=C(Br)C=C1 76233 [0,1,0,0,0,0|0,0,2]=3 131 B12R1.268 COC1=C(N=C=S)C=C(Cl)C=C1 F20920 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.283 NCCC1=C([N+](=O)[O-])C=CC=C1 C78510 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.283 O=[N+]([O-])C1=C(CCBr)C=CC=C1 C77958 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.283 O=[N+]([O-])C1=C(CCO)C=CC=C1 F11697 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.542 COC1=C(Br)C=CC=C1CC#N 97481 [0,1,0,0,0,0|0,0,2]=3 136 B12R1.542 COC1=C(CC#N)C=CC=C1C 95683 [0,1,0,0,0,0|0,0,2]=3 137 B12R1.1112 COC1=CC=CC(F)=C1CC#N CK2056 [0,1,0,0,0,0|0,0,2]=3 138 B12R2.1 NCC1=CNC2=C1C=CC=C2 24095 [0,0,0,1,0,0|1,0,2]=4 139 B12R2.1 NCC1=CNC2=C1C=CC=C2 28596 [0,0,0,1,0,0|1,0,2]=4 140 B12R2.1 NCC1=NNC2=C1C=CC=C2 AC1021 [0,0,0,1,0,0|2,0,1]=4 141 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 79476 [0,0,0,1,0,0|2,0,1]=4 142 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64264 [0,0,0,1,0,0|1,0,2]=4 143 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 51894 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O 75581 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.18 C[C@H]1CC2=C(C=CC=C2)N1N D97185 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20134 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20142 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O P15222 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.18 OC1C2=C(C=CC=C2)CC1Br A10217 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br 31137 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 AC1627 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)S1 72290 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20327 [0,0,0,1,0,0|0,0,0]=1 154 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 20236 [0,0,0,1,0,0|1,0,0]=2 155 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 22566 [0,0,0,1,0,0|2,0,1]=4 156 B12R2.24 O=C1COC2=C(C=CC=C2)N1 64814 [0,0,0,1,0,0|2,0,1]=4 157 B12R2.24 O=C1COC2=C(C=CC=C2)O1 W17423 [0,0,0,1,0,0|2,0,1]=4 158 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 Y10089 [0,0,0,1,0,0|1,1,1]=4 159 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 94674 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.41 C1=CC2=C(C=C1)CCNCC2 35932 [0,0,0,1,0,0|1,0,0]=2 161 B12R2.41 C1=CC2=C(C=C1)CNCCC2 26520 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.41 C1=CC2=C(C=C1)NCCCC2 28041 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.41 C1=CC2=C(C=C1)NCCCN2 F30051 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.41 C1=CC2=C(C=C1)OCCCO2 29488 [0,0,0,1,0,0|2,0,0]=3 165 B12R2.315 C=CC1=CC=CC2=C1CCO2 A10545 [0,0,0,1,0,0|2,0,1]=4 166 B12R2.315 COC1=C2C=CNC2=CC=C1 29334 [0,0,0,1,0,0|0,0,2]=3 167 B12R2.315 COC1=C2C=CNC2=NC=C1 82146 [0,0,0,1,0,0|1,0,2]=4 168 B12R2.315 COC1=C2C=NNC2=CC=C1 25909 [0,0,0,1,0,0|1,0,1]=3 169 B12R2.315 COC1=C2CCNC2=CC=C1 BL002350 [0,0,0,1,0,0|0,0,0]=1 170 B12R2.315 COC1=C2CCNC2=CC=C1 D83135 [0,0,0,1,0,0|0,0,0]=1 171 B12R2.315 COC1=C2NC=CC2=CC=C1 63980 [0,0,0,1,0,0|2,0,1]=4 172 B12R2.315 COC1=C2NCCC2=CC=C1 D82696 [0,0,0,1,0,0|2,0,0]=3 173 B12R2.315 COC1=C2NN=CC2=CC=C1 27060 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.315 COC1=C2OC=CC2=CC=C1 33540 [0,0,0,1,0,0|2,0,1]=4 175 B12R2.1081 CC1=NCCC2=C1C=CC=C2 63594 [0,0,0,1,0,0|1,0,1]=3 176 B12R2.1081 CN1CCCC2=C1C=CC=C2 F13268 [0,0,0,1,0,0|2,0,0]=3 177 B12R2.1081 CN1CCNC2=C1C=CC=C2 25611 [0,0,0,1,0,0|3,0,0]=4 178 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24493 [0,0,0,1,0,0|1,0,0]=2 179 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24577 [0,0,0,1,0,0|1,0,0]=2 180 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52172 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52173 [0,0,0,1,0,0|3,0,0]=4 182 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F13060 [0,0,0,1,0,0|3,0,0]=4 183 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F16883 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.1081 O=C1CCCC2=C1C=CC=C2 P16483 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.1081 O=C1NCCC2=C1C=CC=C2 25054 [0,0,0,1,0,0|2,0,0]=3 186 B12R2.1081 O=C1NCCC2=CC=CN=C12 N10641 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.1081 O=C1OCCC2=C1C=CC=C2 23770 [0,0,0,1,0,0|3,0,0]=4 188 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 73935 [0,0,0,1,0,0|3,0,0]=4 189 B12R2.2048 COC1=C([C@@H]2CO2)C=CC=C1 W15485 [0,0,0,1,0,0|1,0,0]=2 190 B12R2.2048 N#CC1=C(C2CC2)C=CC=C1 50955 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.8 BrCCC1=CC=CC=C1 S12296 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.8 BrCCC1=NC=CC=C1 54525 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.8 C#CCC1=CC=CC=C1 A11825 [2,0,0,0,0,0|1,0,1]=4 194 B9R1.8 C=CCC1=CC=CC=C1 FD14063 [2,0,0,0,0,0|1,0,1]=4 195 B9R1.8 CCCC1=CC=CC=C1 F10002 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.8 CCCC1=CC=NC=C1 D86491 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.8 CCCC1=NC=CC=C1 A10924 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 CCOC1=CC=CC=C1 D78866 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.8 CCSC1=CC=CC=C1 H10383 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.8 CNCC1=CC=CC=C1 AR1001 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.8 COCC1=CC=CC=C1 D88644 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.8 ClCCC1=CC=CC=C1 D70839 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.8 ClCSC1=CC=CC=C1 D89325 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.8 ICCC1=CC=CC=C1 D70924 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.8 NCCC1=CC=CC=C1 D78532 [2,0,0,0,0,0|0,0,0]=2 206 B9R1.8 NCCC1=CC=CN=C1 51507 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.8 NCCC1=CC=CN=C1 51508 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.8 NCCC1=CC=NC=C1 51916 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.8 NCCC1=CC=NC=C1 N12034 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.8 NCCC1=NC=CC=C1 AB1583 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.8 NNCC1=CC=CC=C1 53542 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.8 NNCC1=CC=CC=C1 53594 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.8 NNCC1=CC=CC=C1 78678 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.8 NNCC1=CC=CN=C1 37010 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.8 NNCC1=CC=CN=C1 71680 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.8 NNCC1=NC=CC=C1 37011 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.8 NOCC1=CC=CC=C1 54239 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.8 NOCC1=CC=CC=C1 N10409 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.8 O=CCC1=CC=CC=C1 D78329 [2,0,0,0,0,0|1,0,1]=4 220 B9R1.8 OCCC1=CC=CC=C1 D70868 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.8 OCCC1=CC=NC=C1 27360 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.8 OCCC1=CN=CC=C1 29643 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.8 OCCC1=NC=CC=C1 D70485 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.8 ONCC1=CC=CC=C1 23229 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.8 ONCC1=CC=CC=C1 70488 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.8 SCCC1=CC=CC=C1 AC9387 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.8 SCCC1=CC=NC=C1 H11399 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 BrCC1=C(Br)C=CC=C1 CK2016 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.15 BrCC1=C(I)C=CC=C1 CK2021 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.15 C#CC1=C(C)C=CC=C1 35959 [2,0,0,0,0,0|0,0,2]=4 231 B9R1.15 C#CC1=C(N)C=CC=C1 61290 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.15 C#CC1=C(O)C=CC=C1 35301 [2,0,0,0,0,0|0,0,2]=4 233 B9R1.15 CC1=C(C=O)C=CC=C1 S12292 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.15 CC1=C(CBr)C=CC=C1 73693 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.15 CC1=C(CBr)C=NC=C1 36614 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.15 CC1=C(CCl)C=CN=C1 P11631 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.15 CC1=C(CN)C=CC=C1 CK2406 [2,0,0,0,0,0|0,0,0]=2 238 B9R1.15 CC1=C(CN)C=NC=C1 AB9814 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.15 CC1=C(CO)C=CC=C1 AC7567 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.15 CC1=C(CO)C=CC=C1 W15671 [2,0,0,0,0,0|1,0,0]=3 241 B9R1.15 CC1=C(CO)C=CC=N1 AB4004 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.15 CC1=C(CO)C=CN=C1 38362 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.15 CC1=C(NN)C=CC=C1 73740 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.15 CC1=CC=CN=C1CCl 25715 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.15 CC1=CC=CN=C1CCl P10614 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.15 CC1=CC=CN=C1CN D82697 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.15 CC1=CC=CN=C1CN FD13047 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.15 CC1=CC=CN=C1CO 34871 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.15 CC1=CC=CN=C1NN F18137 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.15 CC1=NC=CC=C1NN AC1782 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.15 CCC1=C(Br)C=CC=C1 28851 [2,0,0,0,0,0|1,0,0]=3 252 B9R1.15 CCC1=C(Br)C=CN=C1 39458 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.15 CCC1=C(Br)C=NC=C1 P16029 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.15 CCC1=C(C)C=CC=C1 35300 [2,0,0,0,0,0|0,0,0]=2 255 B9R1.15 CCC1=C(I)C=CC=C1 N11906 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.15 CCC1=CC=CN=C1Cl 71994 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.15 CCC1=CC=CN=C1N 20154 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.15 CCC1=NC=CN=C1C D90495 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.15 CC[N+]1=C(Br)C=CC=C1 D77732 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.15 CNC1=C(Br)C=CC=C1 V10176 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.15 CNC1=C(C)C=CC=C1 D78237 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.15 CNC1=C(Cl)C=CC=C1 79120 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.15 CNC1=C(F)C=CC=C1 F11218 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.15 CNC1=C(N)C=CC=C1 F12014 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.15 CNC1=C(N)C=CC=C1 H10517 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.15 CNC1=C(O)C=CC=C1 O10530 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.15 CNC1=NC=CC=C1N 71770 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.15 COC1=C(Br)C=CC=C1 20046 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.15 COC1=C(Br)C=CC=N1 22447 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.15 COC1=C(Br)C=NC=C1 80858 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.15 COC1=C(C)N=CC=C1 82013 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.15 COC1=C(Cl)C=CC=C1 W16689 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.15 COC1=C(Cl)C=CC=N1 23212 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.15 COC1=C(Cl)C=NC=C1 22682 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.15 COC1=C(F)C=CC=C1 36949 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.15 COC1=C(F)C=CC=N1 34939 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.15 COC1=C(F)C=NC=C1 22759 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.15 COC1=C(I)C=CC=C1 N10126 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.15 COC1=C(I)C=CC=N1 34179 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.15 COC1=C(I)C=NC=C1 O11019 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.15 COC1=C(N)C=CC=C1 D88267 [2,0,0,0,0,0|0,0,0]=2 282 B9R1.15 COC1=C(N)C=NC=C1 69406 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.15 COC1=C(N)N=CC=C1 BL001952 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.15 COC1=C(N)N=CN=C1 26262 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.15 COC1=C(O)N=CC=C1 20791 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.15 COC1=C(S)C=CC=C1 H10479 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.15 COC1=CC=CN=C1Br 54570 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.15 COC1=CC=CN=C1Cl 22465 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.15 COC1=CC=CN=C1F O10777 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.15 COC1=CC=CNC1=O 64133 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.15 COC1=NC=CC=C1N 33231 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.15 COC1=NC=CC=C1O C14621 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.15 COC1=NC=CN=C1C 28462 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.15 COC1=NC=CN=C1N BL006014 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.15 CSC1=C(Br)C=CC=C1 D78172 [2,0,0,0,0,0|1,1,0]=4 296 B9R1.15 CSC1=C(Cl)C=CC=C1 D83051 [2,0,0,0,0,0|1,1,0]=4 297 B9R1.15 CSC1=C(I)C=CC=C1 34564 [2,0,0,0,0,0|1,1,0]=4 298 B9R1.15 CSC1=C(N)C=CC=C1 A10290 [2,0,0,0,0,0|0,1,0]=3 299 B9R1.15 CSC1=C(O)C=CC=C1 29304 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.15 ClC1=C(CBr)C=CC=C1 35527 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.15 ClCC1=C(I)C=CC=C1 D84611 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.15 FC1=C(CBr)C=CC=C1 P20001 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.15 FC1=C(CCl)C=CC=C1 67666 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.15 N#CC1=C(N)C=CC=C1 D70483 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.15 N#CC1=C(O)C=CC=C1 75557 [2,0,0,0,0,0|0,0,2]=4 306 B9R1.15 NC1=C(C=O)C=CC=C1 51901 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.15 NC1=C(CO)C=CC=C1 51532 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.15 NCC1=C(Br)C=CC=C1 CK2416 [2,0,0,0,0,0|1,0,0]=3 309 B9R1.15 NCC1=C(Br)C=CC=C1 D88865 [2,0,0,0,0,0|1,0,0]=3 310 B9R1.15 NCC1=C(Cl)C=CC=C1 CK2391 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.15 NCC1=C(Cl)C=CC=C1 F11177 [2,0,0,0,0,0|1,0,0]=3 312 B9R1.15 NCC1=C(Cl)C=CC=N1 26418 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.15 NCC1=C(F)C=CC=C1 28064 [2,0,0,0,0,0|1,0,0]=3 314 B9R1.15 NCC1=C(N)C=CC=C1 51306 [2,0,0,0,0,0|1,0,0]=3 315 B9R1.15 NCC1=C(N)C=CC=C1 F20939 [2,0,0,0,0,0|1,0,0]=3 316 B9R1.15 NCC1=C(O)C=CC=C1 35196 [2,0,0,0,0,0|0,0,0]=2 317 B9R1.15 NCC1=C(O)C=CC=C1 W11476 [2,0,0,0,0,0|0,0,0]=2 318 B9R1.15 NCC1=CC=CN=C1F 26745 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.15 NCC1=CC=CN=C1F C76777 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.15 NNC1=C(Br)C=CC=C1 35830 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.15 NNC1=C(Cl)C=CC=C1 86175 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.15 NNC1=C(F)C=CC=C1 73690 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.15 NNC1=C(F)C=CC=C1 CK1203 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.15 OCC1=C(Br)C=CC=C1 67743 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.15 OCC1=C(Cl)C=CC=C1 AC8053 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.15 OCC1=C(F)C=CC=C1 22034 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.15 OCC1=C(I)C=CC=C1 CK2475 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.15 OCC1=C(O)C=CC=C1 O10523 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.15 OCC1=C(O)C=CC=N1 85301 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.15 OCC1=C(S)C=CC=C1 F20473 [2,0,0,0,0,0|1,1,0]=4 331 B9R1.15 SCC1=C(Br)C=CC=C1 A12053 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.15 SCC1=C(Cl)C=CC=C1 AT13680 [2,0,0,0,0,0|2,0,0]=4 333 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl CL8843 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.17 CC1=C(OCC#N)C=CC=C1 30970 [1,1,0,0,0,0|0,0,2]=4 335 B11R1.17 CC1=C(OCCN)C=CC=C1 30874 [1,1,0,0,0,0|0,0,0]=2 336 B11R1.17 CCCCC1=C(N)C=CC=C1 D88855 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.17 CCCOC1=C(N)C=CC=C1 31375 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.17 CCCOC1=C(O)C=CC=C1 D95014 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.17 CNCCC1=C(F)C=CC=C1 30544 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.17 ClC1=C(OCCBr)C=CC=C1 98070 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.17 N#CCCC1=C(Cl)C=CC=C1 D84144 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.17 NCCOC1=C(Cl)C=CC=C1 29710 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.17 NCCOC1=C(F)C=CC=C1 30849 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.17 O=CCCC1=C(F)C=CC=C1 CL8848 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.17 OCCCC1=C(Br)C=CC=C1 AB3204 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.81 CC1=C(CC#N)C=CC(Br)=C1 CL9126 [1,1,0,0,0,0|0,0,2]=4 347 B11R1.81 CC1=C(CC#N)C=CC(F)=C1 CK1016 [1,1,0,0,0,0|0,0,2]=4 348 B11R1.81 CC1=CC(C)=C(CC#N)C=C1 D93274 [1,1,0,0,0,0|0,0,2]=4 349 B11R1.81 CC1=CC(C)=C(CCN)C=C1 AT12706 [1,1,0,0,0,0|0,0,0]=2 350 B11R1.81 CCOC1=C(C)C=C(Br)C=C1 D97602 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.81 NCCC1=C(Cl)C=C(Cl)C=C1 29041 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.81 NCCC1=C(F)C=C(F)C=C1 75345 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 P10930 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 P16471 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.81 NNCC1=C(F)C=C(F)C=C1 O10033 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 AR2840 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 67757 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.86 CC(C)CC1=C(N)C=CC=C1 AC1619 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 D71087 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 D92396 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 D85861 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.86 CC1=C(OC(F)F)C=CC=C1 F18875 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 H10662 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 31430 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 28901 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.86 OC1=C(OC(F)F)C=CC=C1 C15928 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.182 CC1=C(CC#N)C=C(Br)C=C1 CL9129 [1,1,0,0,0,0|0,0,2]=4 368 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 34899 [1,1,0,0,0,0|0,0,2]=4 369 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 F14919 [1,1,0,0,0,0|0,0,2]=4 370 B11R1.182 CC1=CC(CCO)=C(C)C=C1 CK1129 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 N10217 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.182 CCOC1=C(O)C=CC(Br)=C1 W18481 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 32558 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.182 COCC1=C(O)C=CC(F)=C1 D80657 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.182 NC1=CC(CCO)=C(N)C=C1 26212 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 CK2437 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.182 NNCC1=C(F)C=CC(Cl)=C1 O10126 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 CK1134 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.222 CC1=C(C(=O)CBr)C=CC=C1 25887 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 H11322 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 C75736 [1,1,0,0,0,0|0,0,2]=4 382 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 N12114 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 AC8486 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 36292 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AR2906 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 78528 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11128 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 F20960 [1,1,0,0,0,0|1,0,1]=4 389 B11R1.222 OC[C@H](O)C1=C(Cl)C=CC=C1 FD1211 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.605 CC1=CC=CC(C)=C1CC#N CL9427 [1,1,0,0,0,0|0,0,2]=4 391 B11R1.605 CCCC1=C(O)C=CC=C1O D97752 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl 28849 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl 67760 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.605 OCCC1=C(Cl)C=CC=C1F CK1097 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.37 CCC1=C(C=O)C=CC(Br)=C1 97131 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 76232 [1,1,0,0,0,0|0,0,2]=4 397 B11R1.37 COC1=C(C#N)C=C(C)C=C1 90839 [1,1,0,0,0,0|0,0,2]=4 398 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 CL8226 [1,1,0,0,0,0|0,0,2]=4 399 B11R1.37 COC1=C(C#N)C=C(F)C=C1 35320 [1,1,0,0,0,0|0,0,2]=4 400 B11R1.37 COC1=C(C#N)C=C(I)C=C1 D97696 [1,1,0,0,0,0|0,0,2]=4 401 B11R1.37 COC1=C(C#N)C=C(N)C=C1 Y11337 [1,1,0,0,0,0|0,0,2]=4 402 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 51372 [1,1,0,0,0,0|0,0,2]=4 403 B11R1.37 COC1=C(C#N)C=CC(C)=C1 CL8173 [1,1,0,0,0,0|0,0,2]=4 404 B11R1.37 COC1=C(C#N)C=CC(F)=C1 CK1051 [1,1,0,0,0,0|0,0,2]=4 405 B11R1.37 COC1=C(C#N)C=CC(N)=C1 25169 [1,1,0,0,0,0|0,0,2]=4 406 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 34573 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.37 COC1=C(C=O)C=C(C)C=C1 C11848 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 25096 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.37 COC1=C(C=O)C=C(F)C=C1 SC5055 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 CL8336 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.37 COC1=C(C=O)C=CC(C)=C1 SC3771 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 CL9241 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.37 COC1=C(C=O)C=CC(F)=C1 CL8353 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.37 COC1=C(C=O)C=CC(O)=C1 F10509 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.37 COC1=C(CBr)C=C(Br)C=C1 95678 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.37 COC1=C(CBr)C=C(F)C=C1 CK2017 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 CL9086 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.37 COC1=C(CBr)C=CC(F)=C1 CL8945 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.37 COC1=C(CN)C=CC(F)=C1 CL8682 [1,1,0,0,0,0|0,0,0]=2 420 B11R1.37 COC1=C(CO)C=C(Br)C=C1 CK2449 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.37 COC1=C(CO)C=C(F)C=C1 CK2473 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.37 COC1=C(CO)C=CC(Br)=C1 CK2444 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.37 COC1=C(CO)C=CC(F)=C1 CL8939 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.37 COC1=C(OC)C=C(Br)C=C1 20442 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.37 COC1=C(OC)C=C(C)C=C1 AC8401 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.37 COC1=C(OC)C=C(Cl)C=C1 W17044 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.37 COC1=C(OC)C=C(F)C=C1 CK1196 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.37 COC1=C(OC)C=C(I)C=C1 62774 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.37 COC1=C(OC)C=C(N)C=C1 S12339 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.37 COC1=C(OC)C=C(O)C=C1 61950 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.37 COC1=C(OC)C=C(S)C=C1 75678 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.37 COC1=C(OC)N=C(I)C=C1 50651 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.37 COC1=CC=C(N)N=C1OC 71971 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.37 COC1=NC=C(F)C=C1CO 85041 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 N12306 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.53 CC(C)C1=C(NN)C=CC=C1 F10456 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.53 CCC1=C(B(O)O)C=CC=C1 33383 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 78506 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.53 CN(C)C1=C(CBr)C=CC=C1 D94449 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.53 CNC1=C(C(N)=O)C=CC=C1 D70954 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.53 COC1=C(B(O)O)C=CC=C1 59417 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.53 COC1=C(C(=N)N)C=CC=C1 W10326 [1,1,0,0,0,0|0,0,1]=3 443 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 39315 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.53 COC1=C(C(=O)O)C=CC=C1 AB2883 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.53 COC1=C(C(C)=O)C=CC=C1 F17510 [1,1,0,0,0,0|0,0,1]=3 446 B11R1.53 COC1=C(C(C)C)C=CC=C1 S11896 [1,1,0,0,0,0|0,0,0]=2 447 B11R1.53 COC1=C(C(N)=O)C=CC=C1 H10635 [1,1,0,0,0,0|0,0,1]=3 448 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 52751 [1,1,0,0,0,0|0,0,0]=2 449 B11R1.53 COC1=C([C@H](C)O)C=CC=C1 29310 [1,1,0,0,0,0|0,0,0]=2 450 B11R1.53 COC1=C([N+](=O)[O-])C=CC=C1 11691 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.53 COC1=CC=CN=C1C(C)=O 27055 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.53 COC1=NC=CN=C1C(C)C D70658 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.53 NCC1=C(B(O)O)C=CC=C1 35197 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 A50519 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.53 NCC1=C([N+](=O)[O-])C=CC=C1 75593 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.53 NCC1=C([N+](=O)[O-])C=CC=C1 N12477 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.265 CCC1=C(NN)C(C)=CC=C1 S10857 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.265 CCC1=C(OC)C(=O)C=CO1 D80977 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.265 COC1=C(Br)C=CC=C1C#N CL9085 [1,1,0,0,0,0|0,0,2]=4 460 B11R1.265 COC1=C(Br)C=CC=C1C=O 24849 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.265 COC1=C(C#N)C(C)=CC=C1 CL8174 [1,1,0,0,0,0|0,0,2]=4 462 B11R1.265 COC1=C(C#N)C(N)=CC=C1 TD1369 [1,1,0,0,0,0|0,0,2]=4 463 B11R1.265 COC1=C(C=O)C(C)=CC=C1 35334 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.265 COC1=C(C=O)C(O)=CC=C1 CL8288 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.265 COC1=C(C=O)C=CC=C1C CL9425 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.265 COC1=C(C=O)C=CC=C1O AC1785 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.265 COC1=C(Cl)C=CC=C1C=O 26326 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.265 COC1=C(F)C=CC=C1C#N S10447 [1,1,0,0,0,0|0,0,2]=4 469 B11R1.265 COC1=C(F)C=CC=C1C=O CL8324 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.265 COC1=C(OC)C(C)=CC=C1 FD10457 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.265 COC1=C(OC)C(C)=NC=C1 C10816 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.265 COC1=C(OC)C(N)=CC=C1 60698 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.265 COC1=C(OC)C(O)=CC=C1 35219 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.265 COC1=CC=CC(Br)=C1C#N CL8156 [1,1,0,0,0,0|0,0,2]=4 475 B11R1.265 COC1=CC=CC(Br)=C1C=O 55897 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.265 COC1=CC=CC(Br)=C1OC 24704 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.265 COC1=CC=CC(Cl)=C1C#N 24022 [1,1,0,0,0,0|0,0,2]=4 478 B11R1.265 COC1=CC=CC(Cl)=C1C=O CL8271 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.265 COC1=CC=CC(Cl)=C1OC T71440 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.265 COC1=CC=CC(F)=C1C#N 81906 [1,1,0,0,0,0|0,0,2]=4 481 B11R1.265 COC1=CC=CC(F)=C1C=O CL9084 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.265 COC1=CC=CC(F)=C1CBr CL9435 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.265 COC1=CC=CC(F)=C1CN 26181 [1,1,0,0,0,0|0,0,0]=2 484 B11R1.265 COC1=CC=CC(F)=C1CN N12191 [1,1,0,0,0,0|0,0,0]=2 485 B11R1.265 COC1=CC=CC(F)=C1OC 34832 [1,1,0,0,0,0|1,0,0]=3 486 B13R1.89 COC1=C([C@@H](Br)C(=O)O)C=CC=C1 P20605 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 S11983 [0,2,0,0,0,0|1,0,1]=4 488 B13R1.91 COC1=C(NC(=O)CBr)C=CC=C1 D82181 [0,2,0,0,0,0|1,0,1]=4 489 B13R1.380 N#CCC1=C(OC(F)F)C=CC=C1 CK1015 [0,2,0,0,0,0|0,0,2]=4 490 B13R1.2135 COC1=CC=CC(F)=C1CC(=O)O CL8764 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.3089 COC1=C(CC(=O)O)C=C(Br)C=C1 CL8799 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.3089 COC1=C(CC(=O)O)C=C(C)C=C1 AC8663 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.3089 COC1=C(CC(=O)O)C=C(Cl)C=C1 31305 [0,2,0,0,0,0|1,0,1]=4 494 B13R1.3089 COC1=C(CC(=O)O)C=C(F)C=C1 CK1035 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.382 CCOC1=C(C(=O)NN)C=CC=C1 D71108 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.382 CCOC1=C(C(=O)OC)C=CC=C1 D91532 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 CL8537 [0,2,0,0,0,0|0,0,2]=4 498 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 S12193 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 H10032 [0,2,0,0,0,0|1,0,1]=4 500 B13R1.464 COC1=C(C(=O)CC#N)C=CC=C1 AB1485 [0,2,0,0,0,0|0,0,2]=4 501 B13R1.2065 CCC(=O)C1=C(OC)C=C(Cl)C=C1 55969 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.2065 COC1=C(C(=O)CBr)C=CC(Cl)=C1 D83831 [0,2,0,0,0,0|1,0,1]=4 503 B13R1.2209 COC1=C(C(=O)CBr)C=C(F)C=C1 34110 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.1248 CCOC1=C(OCC)C=C(N)C=C1 A11147 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 N11911 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 D81591 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 D84194 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.1249 CCOC1=C(OC)C=C(CO)C=C1 76099 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 76692 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 Y11258 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.84 COC1=C(OCCCN)C=CC=C1 76860 [0,2,0,0,0,0|0,0,0]=2 512 B13R1.84 N#CC1=C(OCCCN)C=CC=C1 AC1390 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 28062 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 73976 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.485 CCOC1=C(OCCBr)C=CC=C1 35193 [0,2,0,0,0,0|1,0,0]=3 516 B13R1.485 CCOC1=C(OCCO)C=CC=C1 W13452 [0,2,0,0,0,0|1,0,0]=3 517 B13R1.572 NCCOC1=C(C(N)=O)C=CC=C1 32378 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.572 NCCOC1=C([N+](=O)[O-])C=CC=C1 31426 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 31415 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 75811 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.355 CCOC1=C(OC)C=CC(CO)=C1 W17052 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.355 COC1=CC(CC#N)=C(OC)C=C1 D95884 [0,2,0,0,0,0|0,0,2]=4 523 B13R1.381 NCCC1=C(C(F)(F)F)C=CC=C1 CK1110 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.3911 COC1=C(OC)C(CC#N)=CC=C1 95680 [0,2,0,0,0,0|0,0,2]=4 525 B11R1.192 CC1=C(C)C=C(CCN)C=C1 N12030 [0,0,1,1,0,0|1,0,1]=4 526 B11R2.10 BrC1CC2=C(C=CC=C2)C1 55651 [1,0,0,1,0,0|1,0,0]=3 527 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 D71186 [1,0,0,1,0,0|2,0,0]=4 528 B11R2.10 C[C@H]1CC2=C(C=CC=C2)O1 D89877 [1,0,0,1,0,0|1,0,0]=3 529 B11R2.10 NC1=NC2=C(C=CC=C2)O1 52983 [1,0,0,1,0,0|1,0,1]=4 530 B11R2.10 NC1CC2=C(C=CC=C2)C1 62714 [1,0,0,1,0,0|0,0,0]=2 531 B11R2.10 O=C1CC2=C(C=CC=C2)C1 F10966 [1,0,0,1,0,0|1,0,1]=4 532 B11R2.10 O=C1CC2=C(C=CC=C2)O1 L10016 [1,0,0,1,0,0|1,0,1]=4 533 B11R2.10 OC1CC2=C(C=CC=C2)C1 O10574 [1,0,0,1,0,0|1,0,0]=3 534 B11R2.20 C1=CC2=C(C=C1)CC=CC2 O10351 [1,0,0,1,0,0|1,0,1]=4 535 B11R2.20 C1=CC2=C(C=C1)CCC=C2 H10885 [1,0,0,1,0,0|1,0,1]=4 536 B11R2.20 C1=CC2=C(C=C1)CNCC2 66636 [1,0,0,1,0,0|0,0,0]=2 537 B11R2.20 C1=CC2=C(C=C1)CNCC2 66637 [1,0,0,1,0,0|0,0,0]=2 538 B11R2.20 C1=CC2=C(C=C1)CNNC2 31576 [1,0,0,1,0,0|1,0,0]=3 539 B11R2.20 C1=CC2=C(C=C1)COCC2 25404 [1,0,0,1,0,0|1,0,0]=3 540 B11R2.20 C1=CC2=C(C=C1)NCCC2 66632 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.20 C1=CC2=C(C=C1)OCCC2 F13522 [1,0,0,1,0,0|1,0,0]=3 542 B11R2.20 C1=CC2=C(C=C1)OCCN2 BL001953 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.20 C1=CC2=C(C=C1)OCCO2 A10228 [1,0,0,1,0,0|2,0,0]=4 544 B11R2.20 C1=CC2=C(C=N1)CCCC2 67092 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.20 C1=CN=C2CCCCC2=C1 66526 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.20 C1=CN=C2CCNCC2=C1 SC2731 [1,0,0,1,0,0|1,0,0]=3 547 B11R2.20 C1=CN=C2CNCCC2=C1 37895 [1,0,0,1,0,0|1,0,0]=3 548 B11R2.55 NC1=C(C2CC2)C=CC=C1 71480 [1,0,0,1,0,0|2,0,0]=4 549 B11R2.106 BrC1=C2CCNC2=CC=C1 24296 [1,0,0,1,0,0|1,0,0]=3 550 B11R2.106 BrC1=C2CCNC2=CC=C1 BL008582 [1,0,0,1,0,0|1,0,0]=3 551 B11R2.106 CC1=C2N=CNC2=CC=C1 32546 [1,0,0,1,0,0|1,0,1]=4 552 B11R2.106 CC1=CC=CC2=C1C=CN2 27074 [1,0,0,1,0,0|0,0,2]=4 553 B11R2.106 CC1=CC=CC2=C1C=NN2 24441 [1,0,0,1,0,0|1,0,1]=4 554 B11R2.106 CC1=CC=CC2=C1CCN2 28584 [1,0,0,1,0,0|0,0,0]=2 555 B11R2.106 ClC1=C2CCNC2=CC=C1 33919 [1,0,0,1,0,0|1,0,0]=3 556 B11R2.106 FC1=C2CCNC2=CC=C1 35695 [1,0,0,1,0,0|1,0,0]=3 557 B11R2.106 NC1=C2CCCC2=CC=C1 93741 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.106 NC1=CC=CC2=C1CCO2 25623 [1,0,0,1,0,0|2,0,0]=4 559 B11R2.106 OC1=C2C=CNC2=CC=C1 86495 [1,0,0,1,0,0|0,0,2]=4 560 B11R2.106 OC1=C2C=NNC2=CC=C1 22908 [1,0,0,1,0,0|1,0,1]=4 561 B11R2.106 OC1=C2CCCC2=CC=C1 24536 [1,0,0,1,0,0|1,0,0]=3 562 B11R2.106 OC1=C2N=CNC2=CC=C1 71264 [1,0,0,1,0,0|1,0,1]=4 563 B11R2.1 CC1=COC2=C1C=CC=C2 F14546 [1,0,0,1,0,0|0,0,2]=4 564 B11R2.1 CC1=NOC2=C1C=CC=C2 63502 [1,0,0,1,0,0|1,0,1]=4 565 B11R2.1 NC1=NOC2=C1C=CC=C2 68245 [1,0,0,1,0,0|1,0,1]=4 566 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 36655 [1,0,0,1,0,0|1,0,0]=3 567 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41002 [1,0,0,1,0,0|1,0,0]=3 568 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67750 [1,0,0,1,0,0|1,0,0]=3 569 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67775 [1,0,0,1,0,0|1,0,0]=3 570 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67878 [1,0,0,1,0,0|1,0,0]=3 571 B11R2.1 O=C1CCC2=C1C=CC=C2 73679 [1,0,0,1,0,0|2,0,0]=4 572 B11R2.1 O=C1COC2=C1C=CC=C2 85080 [1,0,0,1,0,0|1,0,1]=4 573 B11R2.1 O=C1NCC2=C1C=CC=C2 SC1218 [1,0,0,1,0,0|2,0,0]=4 574 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 I10213 [1,0,0,1,0,0|2,0,0]=4 575 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 26051 [0,1,0,1,0,0|1,0,1]=4 576 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 CL3508 [0,1,0,1,0,0|1,0,1]=4 577 B13R2.1613 COC1=C2CCCNC2=CC=C1 O11460 [0,1,0,1,0,0|0,0,0]=2 578 B13R2.1613 COC1=C2CCNCC2=CC=C1 D70865 [0,1,0,1,0,0|0,0,0]=2 579 B13R2.1613 COC1=NC=NC2=C1CCNC2 SC3101 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 30207 [0,1,0,1,0,0|1,0,1]=4 581 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 73918 [0,1,0,1,0,0|1,0,1]=4 582 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 F14617 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 P10194 [0,1,0,1,0,0|1,0,1]=4 584 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 66622 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 25896 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.162 NC1=C2C[C@@H](O)CCC2=CC=C1 C12074 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O 34679 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 26366 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.162 O=C1NCCC2=C1C=C(Cl)C=C2 55440 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.623 COC1=C2C=NNC2=CC(Br)=C1 55592 [0,1,0,1,0,0|1,0,1]=4 591 B13R2.1 NCCC1=CNC2=C1C=CC=C2 62750 [0,1,0,1,0,0|1,0,1]=4 592 B13R2.1 NCCC1=CNC2=C1C=CC=C2 D88241 [0,1,0,1,0,0|1,0,1]=4 593 B13R2.1 NCCC1=COC2=C1C=CC=C2 36050 [0,1,0,1,0,0|0,0,1]=3 594 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 83204 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 D95121 [0,1,0,1,0,0|1,0,1]=4 596 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 W10143 [0,1,0,1,0,0|1,0,1]=4 597 B13R2.57 BrC[C@H]1COC2=C(C=CC=C2)O1 73973 [0,1,0,1,0,0|1,0,0]=3 598 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C75174 [0,1,0,1,0,0|1,0,0]=3 599 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 S11044 [0,1,0,1,0,0|1,0,0]=3 600 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)N1 32441 [0,1,0,1,0,0|0,0,0]=2 601 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 29091 [0,1,0,1,0,0|0,0,0]=2 602 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 51176 [0,1,0,1,0,0|0,0,0]=2 603 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)O1 30235 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 52022 [0,1,0,1,0,0|1,0,0]=3 605 B13R2.573 COC1=CC=CC2=C1CCC2=O 63172 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.611 COC1=C2C=NNC2=C(Br)C=C1 F31202 [0,1,0,1,0,0|1,0,1]=4 607 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 21522 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 25410 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.5179 O=C1NCCC2=C1C=CC(O)=C2 69896 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.3122 C[C@]1(O)CCCC2=C1C=CC=C2 D93667 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.5569 CC(=O)C1=C2CCCC2=CC=C1 N12539 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.342 O=C1NCCC2=C(Br)C=CC=C12 36184 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.14 COC1=CSC=C1OC 33794 [1,0,0,0,1,0|2,0,0]=4