0 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 M52551 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C51530 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.189 C=CCC1=CC=CC(OC)=C1 M52782 [1,0,0,0,0,0|0,0,0]=1 3 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COC1=CC(CC#N)=CC=C1 M22153 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 B48071 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.280 COC1=C(F)C=CC(C#N)=C1 F48103 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.280 COC1=C(N)C=CC(C#N)=C1 A48802 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 F47715 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.280 O=CC1=C(O)C=CC(CO)=C1 H63819 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 H52846 [0,1,0,0,0,0|0,0,3]=4 32 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 F51997 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 M53149 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D60599 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 D53095 [0,1,0,0,0,0|1,0,1]=3 36 B13R1.387 CCCC1=CC(C(C)=O)=C(O)C=C1 H27974 [0,1,0,0,0,0|1,0,2]=4 37 B13R1.575 CCOCC1=CC(OC)=C(O)C=C1 E53096 [0,1,0,0,0,0|0,0,2]=3 38 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 B63994 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.121 COC1=C(Br)C=NC2=C1C=CN2 B16519 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 B52668 [0,0,0,1,0,0|2,0,1]=4 41 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 C66172 [0,0,0,1,0,0|2,0,1]=4 42 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 B61138 [0,0,0,1,0,0|1,0,1]=3 43 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 M69505 [0,0,0,1,0,0|1,0,1]=3 44 B13R2.599 COC1=C(Br)C=C2C=CNC2=N1 B15447 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.599 COC1=C(Br)C=C2C=NNC2=C1 B5191 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.599 COC1=C(Br)C=C2N=CNC2=C1 B37713 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 B29489 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 M16386 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.599 COC1=C(Cl)C=C2C=NNC2=C1 C48370 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 F17561 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.599 COC1=C(F)C=C2C=NNC2=C1 F48374 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 F11096 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [2,0,0,0,0,0|0,0,2]=4 59 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 C60746 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.30 CC1=CC(C#N)=C(O)C=C1 H63627 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [2,0,0,0,0,0|1,0,0]=3 148 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [2,0,0,0,0,0|0,0,0]=2 155 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [2,0,0,0,0,0|1,0,0]=3 157 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.30 COC1=NC(C)=CC=C1N A67537 [2,0,0,0,0,0|2,0,0]=4 160 B12R1.41 COC1=CC(CC#N)=CC(F)=C1 F69202 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.41 COC1=CC(N)=CC(CCO)=C1 A65459 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 B51517 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.270 COC1=CC(CCO)=C(Br)C=C1 B50123 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.280 C=CCC1=CC=CC(C=O)=C1O A52434 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 A52430 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.382 CCNCC1=CC=CC(OC)=C1 M53138 [1,1,0,0,0,0|0,0,2]=4 167 B12R1.435 CC[C@@H](N)C1=CC=CC(OC)=C1 M54197 [1,1,0,0,0,0|0,0,2]=4 168 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A37413 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A52184 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 M61518 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 M46874 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [1,1,0,0,0,0|0,0,1]=3 174 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 M49335 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 F52153 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 F52156 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.56 COC1=C(I)C=CC(C(C)C)=C1 K53021 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [1,1,0,0,0,0|0,0,0]=2 190 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [1,1,0,0,0,0|0,0,1]=3 191 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.78 COC1=CC=C(CN)N=C1OC D29503 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 H15564 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D61559 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B67398 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.300 COC1=CC(C=O)=CC(F)=C1O F48688 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 B62798 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.449 COC1=CC(C=O)=C(Br)C=C1F B63346 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O B48649 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C64134 [1,1,0,0,0,0|1,0,0]=3 204 B14R1.41 COC1=C(F)C=CC([C@H](N)C(=O)O)=C1 A52081 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,2,0,0,0,0|1,0,0]=3 207 B12R2.44 COC1=CC2=C(C=C1)C=NN2 M0480 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.44 COC1=CC2=C(C=C1)CNC2 M52106 [1,0,0,1,0,0|1,0,1]=4 209 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M48553 [1,0,0,1,0,0|2,0,0]=4 210 B12R2.44 COC1=CC2=C(C=C1)NC=N2 M48805 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [1,0,0,1,0,0|1,0,1]=4 213 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [1,0,0,1,0,0|0,0,0]=2 215 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [1,0,0,1,0,0|1,0,0]=3 216 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [1,0,0,1,0,0|1,0,0]=3 217 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [1,0,0,1,0,0|1,0,0]=3 218 B12R2.44 COC1=CN=C2C=CNC2=C1 M15516 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.44 COC1=NC2=C(C=CN2)C=C1 M9656 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.44 COC1=NC=C2C=CNC2=C1 M15514 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.315 COC1=C2C=CNC2=CC=C1 M2322 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.315 COC1=C2C=CNC2=CN=C1 M15509 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.315 COC1=C2C=CNC2=NC=C1 M3804 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.315 COC1=C2C=NNC2=CC=C1 M7685 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.315 COC1=C2CNCC2=CC=C1 M52105 [1,0,0,1,0,0|1,0,1]=4 226 B12R2.315 COC1=C2NC=CC2=CC=C1 M2324 [1,0,0,1,0,0|1,0,1]=4 227 B12R2.315 COC1=C2NC=NC2=CC=C1 M48806 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.315 COC1=C2OC=CC2=CC=C1 M51551 [1,0,0,1,0,0|1,0,1]=4 229 B12R2.315 COC1=CC=CC2=C1C=CS2 M63543 [1,0,0,1,0,0|1,0,0]=3 230 B12R2.315 COC1=NC=CC2=C1C=CN2 M15512 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 M49707 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.82 OC1=C(F)C2=C(C=C1)NC=C2 F60928 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.100 CC1=C(Br)C=C2C=CNC2=C1 B15871 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.100 CC1=C(Cl)C=C2C=CNC2=C1 C51456 [1,0,0,1,0,0|2,0,0]=4 235 B12R2.100 OC1=C(Br)C=C2NC=CC2=C1 B15386 [1,0,0,1,0,0|2,0,0]=4 236 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 C15382 [1,0,0,1,0,0|2,0,0]=4 237 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 D69163 [1,0,0,1,0,0|1,0,0]=3 238 B14R2.1008 O=C(Cl)OC1=CC2=C(C=C1)OCO2 B47823 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 D65567 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 B67866 [0,1,0,1,0,0|1,0,0]=3 241 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D52936 [0,1,0,1,0,0|1,0,1]=4 242 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 D25346 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.82 COC1=CC2=C(C=C1OC)SC=N2 D51813 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 B55421 [0,1,0,1,0,0|1,0,1]=4 245 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 M55760 [0,1,0,1,0,0|1,0,1]=4 246 B14R2.991 COCOC1=CC2=C(C=C1)OCO2 M66809 [0,1,0,1,0,0|1,0,1]=4 247 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 B52125 [0,1,0,1,0,0|1,0,1]=4 248 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 H52574 [0,1,0,1,0,0|0,0,1]=3 249 B14R2.1416 COC1=C(F)C=C2C(=O)CCC2=C1 F54005 [0,1,0,1,0,0|1,0,1]=4 250 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 D52239 [0,0,0,2,0,0|1,0,1]=4