0 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.83 C#CC1=CC=C(OCC)C=C1 E52410 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.83 CCNC1=CC=C(C#N)C=C1 E49708 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.83 CCOC1=CC=C(CN)C=C1 E50343 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.83 COC1=CC=C(C#CI)C=C1 M1885 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.83 COC1=CN=C(CC#N)C=C1 M48814 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.83 COC1=CN=C(CCN)C=C1 M49539 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [1,0,0,0,0,0|0,0,2]=3 50 B10R1.3 C#CC1=CN=C(OC)C=C1 E0638 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [1,0,0,0,0,0|0,0,0]=1 53 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [1,0,0,0,0,0|0,0,1]=2 55 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.3 CNC1=CC=C(C#N)C=C1 M67463 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [1,0,0,0,0,0|1,0,1]=3 59 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.3 COC1=CN=C(C#N)C=C1 M5547 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.3 COC1=CN=C(C=O)N=C1 M12145 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.3 COC1=NC=C(C#N)C=C1 M9551 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.3 COC1=NC=C(C=O)C=N1 M42777 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.3 COC1=NC=C(NN)C=C1 H43550 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [1,0,0,0,0,0|1,1,0]=3 79 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 C60964 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,1,0,0,0,0|0,0,1]=2 91 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [0,1,0,0,0,0|1,1,1]=4 94 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 M38528 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 M52426 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 M51166 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M37811 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M51885 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 M39578 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M52110 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M64553 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 M6283 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 M14343 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 M67025 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B68678 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 C68948 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,1,0,0,0,0|1,0,2]=4 111 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,1,0,0,0,0|1,0,2]=4 112 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,1,0,0,0,0|1,0,2]=4 113 B12R1.5 COC1=CN=C(C(=N)NO)C=C1 H46346 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.71 CCNCC1=CC=C(OC)C=C1 M53139 [0,1,0,0,0,0|0,0,2]=3 115 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [0,1,0,0,0,0|0,0,2]=3 116 B12R1.71 COC1=CC=C(CN=[N+]=[N-])C=C1 A9117 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.71 COC1=CC=C(CNC=O)C=C1 M50050 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.71 COC1=CC=C(OCCN)C=C1 M50362 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 E52787 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.114 COC1=CC(C)=C(CC#N)C=C1 M52552 [0,1,0,0,0,0|1,0,2]=4 121 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 B62199 [0,1,0,0,0,0|1,0,2]=4 122 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 F51535 [0,1,0,0,0,0|1,0,2]=4 123 B12R1.288 COC1=C(F)C=C(CCO)C=C1 F50130 [0,1,0,0,0,0|1,0,2]=4 124 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [0,1,0,0,0,0|1,0,2]=4 125 B12R2.44 CNC1=NC2=C(C=CN2)C=C1 M16034 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.44 COC1=CC2=C(C=C1)C=NN2 M0480 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.44 COC1=CC2=C(C=C1)CCN2 M52102 [0,0,0,1,0,0|1,0,2]=4 128 B12R2.44 COC1=CC2=C(C=C1)CNC2 M52106 [0,0,0,1,0,0|1,0,1]=3 129 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M48553 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.44 COC1=CC2=C(C=C1)NC=N2 M48805 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [0,0,0,1,0,0|1,0,1]=3 132 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [0,0,0,1,0,0|1,0,1]=3 133 B12R2.44 COC1=CC2=C(C=C1)NN=C2 M7598 [0,0,0,1,0,0|2,0,1]=4 134 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [0,0,0,1,0,0|1,0,1]=3 135 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [0,0,0,1,0,0|0,0,0]=1 136 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [0,0,0,1,0,0|1,0,0]=2 137 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [0,0,0,1,0,0|1,0,0]=2 138 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [0,0,0,1,0,0|1,0,0]=2 139 B12R2.44 COC1=CN=C2C=CNC2=C1 M15516 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.44 COC1=CN=C2NC=CC2=C1 M0089 [0,0,0,1,0,0|2,0,1]=4 141 B12R2.44 COC1=NC2=C(C=C1)C=NN2 M13723 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M12531 [0,0,0,1,0,0|2,0,1]=4 143 B12R2.44 COC1=NC2=C(C=CN2)C=C1 M9656 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.44 COC1=NC=C2C=CNC2=C1 M15514 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.44 COC1=NC=C2NC=CC2=C1 M4689 [0,0,0,1,0,0|2,0,1]=4 146 B12R2.44 N#CC1=CC2=C(C=CN2)C=C1 I20501 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 F2138 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 B51038 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 B24567 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [2,0,0,0,0,0|0,0,2]=4 151 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [2,0,0,0,0,0|0,0,0]=2 153 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.1 C=CC1=CN=C(F)C=C1 E16703 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|1,0,1]=4 157 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|1,0,1]=4 158 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,1]=4 164 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 COC1=CN=C(F)C=C1 F42925 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 COC1=CN=C(I)C=C1 I5931 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 COC1=CN=C(N)C=C1 A10497 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.1 COC1=NC=C(C)C=C1 M67554 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 COC1=NC=C(F)C=C1 F24011 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 COC1=NC=C(I)C=C1 K42935 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 COC1=NC=C(N)C=C1 A12692 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 COC1=NC=C(O)C=C1 H43140 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 COC1=NN=C(C)C=C1 M43203 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|1,1,0]=4 187 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|1,1,0]=4 189 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [2,0,0,0,0,0|1,0,1]=4 190 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|1,0,1]=4 191 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 CC#CC1=CC=CC=C1 P68608 [2,0,0,0,0,0|0,0,2]=4 197 B9R1.8 CNNC1=CC=CC=C1 M46459 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|0,0,0]=2 199 B9R1.8 O=COC1=CC=CC=C1 P45508 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [2,0,0,0,0,0|2,0,0]=4 201 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 T52412 [1,1,0,0,0,0|0,0,1]=3 202 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,1,0,0,0,0|0,0,2]=4 203 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [1,1,0,0,0,0|0,0,2]=4 204 B11R1.1 O=CC=CC1=CC=C(F)C=C1 F51323 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 B51314 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C51321 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [1,1,0,0,0,0|0,0,2]=4 209 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|0,0,2]=4 227 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.22 COC(=O)C1=CN=C(C)C=C1 M13760 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.22 COC(=O)C1=NC=C(C)C=C1 M22900 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [1,1,0,0,0,0|0,0,2]=4 241 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 V67904 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 N37028 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D53107 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D69320 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 M60981 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.3 COC1=CC=C(C(=N)N)C=C1 M49492 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M64803 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.3 COC1=CC=C(C(N)=O)C=C1 M49268 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [1,1,0,0,0,0|0,0,1]=3 261 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [1,1,0,0,0,0|0,0,1]=3 262 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [1,1,0,0,0,0|0,0,1]=3 263 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [1,1,0,0,0,0|0,0,1]=3 264 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [1,1,0,0,0,0|0,0,1]=3 265 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [1,1,0,0,0,0|0,0,1]=3 266 B11R1.3 COC1=CN=C(C(=N)N)C=C1 M32423 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.3 COC1=CN=C(C(=O)O)C=C1 M14344 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.3 COC1=NC=C(C(=N)N)C=C1 M46573 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.3 COC1=NC=C(C(=O)O)C=C1 M12739 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.3 COC1=NC=C(C(C)=O)C=N1 M46010 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M62193 [1,1,0,0,0,0|1,1,0]=4 274 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [1,1,0,0,0,0|0,1,0]=3 275 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,1,0,0,0,0|0,0,1]=3 276 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 B48070 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B2967 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.279 COC1=C(C)C=C(C#N)C=C1 M63445 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 C48086 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 C67645 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 C37108 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.279 COC1=C(F)C=C(C#N)C=C1 F48101 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.279 COC1=C(F)C=C(C=O)C=C1 F48620 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.279 COC1=C(I)C=C(C=O)C=C1 K48635 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.279 COC1=C(N)C=C(C#N)C=C1 A9445 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.279 COC1=C(N)C=C(C=O)C=C1 A49285 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 B37120 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 B48573 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.279 COC1=CC(Br)=C(OC)C=C1 B39519 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.279 COC1=CC(C)=C(C#N)C=C1 M51764 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.279 COC1=CC(C)=C(C=O)C=C1 M49888 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.279 COC1=CC(C)=C(C=O)C=N1 M49289 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 C48085 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 C48595 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.279 COC1=CC(F)=C(C#N)C=C1 F68008 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.279 COC1=CC(F)=C(C=O)C=C1 F48617 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.279 COC1=CC(F)=C(NN)C=C1 F46569 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.279 COC1=CC(F)=C(OC)C=C1 F49392 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.279 COC1=CC(N)=C(C#N)C=C1 A36670 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.279 COC1=CC(N)=C(CO)C=C1 A46922 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.279 COC1=CC(N)=C(OC)C=C1 D39435 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.279 COC1=CC(O)=C(C#N)C=C1 H48461 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.279 COC1=CC(S)=C(OC)C=C1 D46838 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.279 COC1=CC([Mg+])=C(OC)C=C1 D31788 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.279 COC1=CC=C(C=O)C(Br)=N1 B45340 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 C45361 [1,1,0,0,0,0|2,0,0]=4 318 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 A53153 [0,2,0,0,0,0|0,0,2]=4 319 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 M54771 [0,2,0,0,0,0|0,0,1]=3 320 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 F51996 [0,2,0,0,0,0|1,0,1]=4 321 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 H67465 [0,2,0,0,0,0|1,0,1]=4 322 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 M52461 [0,2,0,0,0,0|0,0,0]=2 323 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A1587 [0,2,0,0,0,0|1,0,1]=4 324 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A18835 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 H49948 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 M68960 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 M54959 [0,2,0,0,0,0|0,0,2]=4 328 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 H49949 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.142 CCOC1=CC=C(NC(N)=S)C=C1 E50202 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 B68273 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.653 COC1=CC(F)=C(CC(=O)O)C=C1 F36927 [0,2,0,0,0,0|1,0,1]=4 332 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 A50183 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 M51969 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.95 COC(=O)C1=C(C)C=C(OC)C=C1 M52833 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.95 COC(=O)C1=C(Cl)C=C(OC)N=C1 M63832 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 M50093 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.95 COC(=O)C1=C(O)C=C(OC)C=C1 M49942 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Cl M38672 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.95 COC1=CC(O)=C(C(=O)NN)C=C1 H63570 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 M52620 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 E39608 [0,2,0,0,0,0|0,0,1]=3 342 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 C52638 [0,2,0,0,0,0|0,0,1]=3 343 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 M52454 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 M64160 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.537 COC(=O)C1=CC=C([C@H](C)Br)C=C1 M36739 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M22446 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25458 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25631 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 M52832 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.3088 CCC1=C(I)C=C(C(=O)OC)C=C1 M52651 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.3088 CNC1=C(N)C=C(C(=O)OC)C=C1 M50184 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.3088 COC(=O)C1=CC(Br)=C(OC)C=C1 M68517 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.3088 COC(=O)C1=CC(Br)=C(OC)N=C1 M48987 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)C=N1 M13349 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)N=C1 M49002 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.3088 COC(=O)C1=CC(F)=C(OC)C=C1 M68951 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 M50090 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=N1 M28699 [0,2,0,0,0,0|2,0,0]=4 359 B13R1.3088 COC(=O)C1=CN=C(OC)C(N)=C1 M46695 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 M49355 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 M52829 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 M38061 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 M49941 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.3 CSC1=CC=C(C=CC(=O)O)C=C1 M52447 [0,2,0,0,0,0|0,1,1]=4 365 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 D68997 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.371 COC1=CC=C(CCCCO)C=C1 M54957 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.371 COC1=CC=C(COCCO)C=C1 M32365 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.577 COC1=C(O)C=C(C=CCO)C=C1 H52849 [0,2,0,0,0,0|0,0,0]=2 369 B13R1.388 C\C=C\C1=CC(O)=C(OCC)C=C1 E68984 [0,2,0,0,0,0|0,0,0]=2 370 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D53155 [0,2,0,0,0,0|1,0,1]=4 371 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D61717 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 M53149 [0,2,0,0,0,0|1,0,1]=4 373 B11R1.267 COC1=C(Br)C(C=O)=CC=C1 B48572 [0,0,1,1,0,0|2,0,0]=4 374 B11R1.267 COC1=C(Cl)C(C=O)=CC=C1 C68319 [0,0,1,1,0,0|2,0,0]=4 375 B11R1.267 COC1=CC=CC(C=O)=C1O V68098 [0,0,1,1,0,0|2,0,0]=4 376 B11R1.267 COC1=CC=CC(OC)=C1Br B49375 [0,0,1,1,0,0|2,0,0]=4 377 B11R1.267 COC1=CC=CC(OC)=C1Cl C49386 [0,0,1,1,0,0|2,0,0]=4 378 B11R1.267 COC1=CC=CC(OC)=C1I K49398 [0,0,1,1,0,0|2,0,0]=4 379 B11R1.267 COC1=CC=CC(OC)=C1N D63809 [0,0,1,1,0,0|2,0,0]=4 380 B11R1.267 COC1=CC=CC(OC)=C1N D9397 [0,0,1,1,0,0|2,0,0]=4 381 B11R1.267 COC1=CC=CC(OC)=C1O D67574 [0,0,1,1,0,0|2,0,0]=4 382 B11R1.280 COC1=CC(C=O)=C(Br)C=C1 B38772 [0,0,1,1,0,0|2,0,0]=4 383 B11R1.280 COC1=CC(C=O)=C(C)C=C1 M49892 [0,0,1,1,0,0|1,0,1]=4 384 B11R1.280 COC1=CC(C=O)=C(Cl)C=C1 C37152 [0,0,1,1,0,0|2,0,0]=4 385 B11R1.280 COC1=CC(C=O)=C(F)C=C1 F48618 [0,0,1,1,0,0|2,0,0]=4 386 B11R1.280 COC1=CC(C=O)=C(O)C=C1 H67408 [0,0,1,1,0,0|2,0,0]=4 387 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [0,0,1,1,0,0|2,0,0]=4 388 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [0,0,1,1,0,0|2,0,0]=4 389 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [0,0,1,1,0,0|2,0,0]=4 390 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [1,0,0,1,0,0|0,0,2]=4 391 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 B2309 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 B10580 [1,0,0,1,0,0|2,0,0]=4 393 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 B10904 [1,0,0,1,0,0|2,0,0]=4 394 B11R2.36 CC1=CC2=C(C=C1)N=CO2 M48438 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M2329 [1,0,0,1,0,0|1,0,1]=4 396 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [1,0,0,1,0,0|1,0,1]=4 397 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M48441 [1,0,0,1,0,0|2,0,0]=4 398 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M51665 [1,0,0,1,0,0|1,0,1]=4 399 B11R2.36 CC1=CC2=C(C=CN2)C=C1 M2330 [1,0,0,1,0,0|1,0,0]=3 400 B11R2.36 CC1=CC2=C(C=CS2)C=C1 M51666 [1,0,0,1,0,0|1,0,0]=3 401 B11R2.36 CC1=CC2=NC=CN2C=C1 M61222 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.36 CC1=CC=C2C=CN=C2N1 M25538 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.36 CC1=NC=C2C=CNC2=C1 M15102 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 C4679 [1,0,0,1,0,0|2,0,0]=4 405 B11R2.36 FC1=CC2=C(C=CN2)C=C1 F2136 [1,0,0,1,0,0|2,0,0]=4 406 B11R2.36 FC1=CC2=C(C=CS2)C=C1 F38235 [1,0,0,1,0,0|2,0,0]=4 407 B11R2.36 IC1=CC2=C(C=CN2)C=C1 I29514 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.36 IC1=CC2=C(C=CO2)C=C1 I37384 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.36 NC1=CC2=C(C=CN2)C=C1 A24110 [1,0,0,1,0,0|2,0,0]=4 410 B11R2.36 NC1=CC2=C(C=CO2)C=C1 B63796 [1,0,0,1,0,0|2,0,0]=4 411 B11R2.36 OC1=CC2=C(C=C1)C=NN2 H3129 [1,0,0,1,0,0|2,0,0]=4 412 B11R2.36 OC1=CC2=C(C=C1)C=NO2 B44925 [1,0,0,1,0,0|2,0,0]=4 413 B11R2.36 OC1=CC2=C(C=C1)CNC2 D29486 [1,0,0,1,0,0|1,0,1]=4 414 B11R2.36 OC1=CC2=C(C=C1)N=CS2 H37396 [1,0,0,1,0,0|2,0,0]=4 415 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [1,0,0,1,0,0|1,0,1]=4 416 B11R2.36 OC1=CC2=C(C=C1)NC=N2 B67409 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.36 OC1=CC2=C(C=C1)NCC2 K49254 [1,0,0,1,0,0|1,0,1]=4 418 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [1,0,0,1,0,0|1,0,1]=4 419 B11R2.36 OC1=CC2=C(C=C1)SC=C2 B36743 [1,0,0,1,0,0|1,0,1]=4 420 B11R2.36 OC1=CC2=C(C=C1)SC=N2 B45070 [1,0,0,1,0,0|2,0,0]=4 421 B11R2.36 OC1=CC2=C(C=CN2)C=C1 H2141 [1,0,0,1,0,0|1,0,0]=3 422 B11R2.36 OC1=CC2=NC=CN2C=C1 K45217 [1,0,0,1,0,0|2,0,0]=4 423 B11R2.190 C=CC1=CC2=C(C=C1)CC2 V52272 [1,0,0,1,0,0|1,0,0]=3 424 B11R2.190 O=CC1=CC2=C(C=C1)CC2 B51547 [1,0,0,1,0,0|2,0,0]=4 425 B13R2.2121 CC1=CC2=C(C=C(C#N)C=C2)N1 M32165 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.2121 COC1=CC2=C(C=C1)C=C(I)S2 K64284 [0,1,0,1,0,0|1,0,0]=3 427 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 M62100 [0,1,0,1,0,0|1,0,1]=4 428 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 B48082 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 M51781 [0,1,0,1,0,0|1,0,0]=3 430 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 M51869 [0,1,0,1,0,0|1,0,0]=3 431 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 C48092 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 M21846 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)C2 M51768 [0,1,0,1,0,0|1,0,0]=3 434 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)N2 M48826 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)N2 M68025 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 M48560 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 M16422 [0,1,0,1,0,0|1,0,0]=3 438 B13R2.2121 COC1=CC2=C(C=C1)NC(N)=N2 M49214 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 M48491 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 M24172 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.2121 COC1=CC2=C(C=C1)SC(S)=N2 M48558 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 M49721 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.2121 COC1=NC2=C(C=C1)NC(=O)C2 M48829 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 M15769 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 M52419 [0,1,0,1,0,0|0,0,1]=3 446 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M36796 [0,1,0,1,0,0|1,0,1]=4 447 B13R2.2130 COC1=CC2=C(C=C1)C(=O)N=C2 M67788 [0,1,0,1,0,0|1,0,1]=4 448 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 M51628 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NN2 M49722 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 K6150 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 M49725 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.2130 COC1=CC2=C(C=N1)C(I)=CN2 K63998 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.57 COC1=CC2=C(C=C1)CCCN2 M38175 [0,1,0,1,0,0|0,0,2]=4 454 B13R2.57 COC1=CC2=C(C=C1)CCCN2 M52926 [0,1,0,1,0,0|0,0,2]=4 455 B13R2.57 COC1=CC2=C(C=C1)CCNC2 T1075 [0,1,0,1,0,0|0,0,2]=4 456 B13R2.57 COC1=CC2=C(C=C1)CNCC2 M52929 [0,1,0,1,0,0|0,0,2]=4 457 B13R2.57 COC1=CC2=C(C=C1)CNCC2 M54154 [0,1,0,1,0,0|0,0,2]=4 458 B13R2.57 COC1=CC2=C(C=C1)NCCC2 M52925 [0,1,0,1,0,0|0,0,2]=4 459 B13R2.57 COC1=CC2=C(C=C1)NCCN2 M37468 [0,1,0,1,0,0|1,0,1]=4 460 B13R2.57 COC1=CC2=C(C=C1)NCCO2 M38970 [0,1,0,1,0,0|1,0,1]=4 461 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M69058 [0,1,0,1,0,0|0,0,1]=3 463 B13R2.57 COC1=CC2=CC=NC=C2C=C1 M53897 [0,1,0,1,0,0|0,0,1]=3 464 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [0,1,0,1,0,0|1,0,1]=4 465 B13R2.669 CC1=CNC2=C1C=C(C#N)C=C2 M63993 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.669 CN1C=CC2=C1C=C(C#N)C=C2 M3361 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.669 CN1C=CC2=C1C=C(C=O)C=C2 M53910 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.669 COC1=CC2=C(C=C1)CCC2=O M4697 [0,1,0,1,0,0|1,0,1]=4 469 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N M13144 [0,1,0,1,0,0|0,0,2]=4 470 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N M61887 [0,1,0,1,0,0|0,0,2]=4 471 B13R2.669 COC1=CC2=C(C=C1)CC[C@H]2N M13145 [0,1,0,1,0,0|0,0,2]=4 472 B13R2.669 COC1=CC2=C(C=C1)CC[C@H]2N M54155 [0,1,0,1,0,0|0,0,2]=4 473 B13R2.669 COC1=CC2=C(C=C1)CNC2=O M51776 [0,1,0,1,0,0|1,0,1]=4 474 B13R2.669 COC1=CC2=C(C=C1)NN=C2Br B48361 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.669 COC1=CC2=C(C=C1)OC=C2Br B51250 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.669 COC1=CC2=C(C=C1)OCC2=O M36758 [0,1,0,1,0,0|1,0,1]=4 477 B13R2.669 COC1=CC2=C(C=N1)NC=C2Br B48365 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.669 COC1=CC2=C(N=C1)NC=C2Br B37597 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.669 COC1=CC=C2NC=C(I)C2=N1 K63999 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.669 COC1=NC2=C(C=C1)NC=C2C M49729 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.654 COC1=CC(Br)=C2C=CNC2=C1 B23459 [0,1,0,1,0,0|1,0,0]=3 482 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 B15134 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.654 COC1=CC(C)=C2NC=CC2=C1 M52547 [0,1,0,1,0,0|1,0,1]=4 484 B13R2.654 COC1=CC(N)=C2NC=CC2=C1 M49719 [0,1,0,1,0,0|1,0,1]=4 485 B13R2.654 COC1=CN2N=CC=C2C(Br)=C1 B48363 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.449 CCOC1=CC2=C(C=CN2)C=C1 E36810 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.84 COC1=C(Br)C2=C(C=C1)NC=C2 B29992 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.84 COC1=C(Br)C2=C(C=CN2)C=N1 B48366 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.84 COC1=C(F)C2=C(C=C1)CNC2 F52087 [0,1,0,1,0,0|1,0,1]=4 490 B13R2.84 COC1=C(O)C2=C(C=C1)NC=C2 M51771 [0,1,0,1,0,0|1,0,1]=4 491 B13R2.599 COC1=C(Br)C=C2C=CNC2=N1 B15447 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.599 COC1=C(Br)C=C2C=NNC2=C1 B5191 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.599 COC1=C(Br)C=C2N=CNC2=C1 B37713 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 B29489 [0,1,0,1,0,0|1,0,1]=4 495 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 M16386 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.599 COC1=C(Cl)C=C2C=NNC2=C1 C48370 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 F17561 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.599 COC1=C(F)C=C2C=NNC2=C1 F48374 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 F11096 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.7 CC=C[N+]1=CN(C)C=C1 P46618 [1,0,0,0,1,0|2,0,0]=4 501 B9R1.21 COC1=CC=C(OC)S1 D43309 [1,0,0,0,1,0|2,0,0]=4