0 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 LQ2490 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.612 NC1CCC2=CC(Br)=CC=C21 YH97266 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 LQ2487 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 XJ5153 [0,0,0,0,0,0|2,1,1]=4 5 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 YH01019 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.612 O=C1CCC2=CC(F)=CC=C12 JZ4104 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.612 O=C1NSC2=CC(F)=CC=C12 HL3634 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 ON1N=NC2=CC=CC=C21 LT7863 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 ON1N=NC2=CC=CC=C21 RT15166 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 LQ0894 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH30587 [1,0,0,0,0,0|2,1,0]=4 20 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH95781 [1,0,0,0,0,0|2,1,0]=4 21 B11R2.36 BrC1=CC2=C(C=C1)NCC2 JZ5527 [1,0,0,0,0,0|2,1,0]=4 22 B11R2.36 CC1=CC2=C(C=C1)NCC2 YH12422 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 ClC1=CC2=C(C=C1)NCC2 XJ4859 [1,0,0,0,0,0|2,1,0]=4 24 B11R2.36 FC1=CC2=C(C=C1)CCC2 RT10570 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.36 FC1=CC2=C(C=C1)NN=C2 LQ0710 [1,0,0,0,0,0|2,0,1]=4 26 B11R2.36 FC1=CC=C2C=CNC2=C1 HL1788 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 FC1=CC=C2CNCC2=C1 YH08025 [1,0,0,0,0,0|2,0,0]=3 28 B11R2.36 FC1=CC=C2NC=CC2=C1 LQ0746 [1,0,0,0,0,0|2,0,1]=4 29 B11R2.36 FC1=CC=C2OCCC2=C1 HL3917 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.36 NC1=CC2=C(C=C1)CCC2 YH49019 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.36 NC1=CC2=C(C=C1)COC2 YH10378 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.36 OC1=CC2=C(C=C1)CNC2 YH66673 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 LT1322 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 XJ0647 [0,1,0,0,0,0|1,0,2]=4 35 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O YH00452 [0,1,0,0,0,0|2,0,1]=4 36 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 LL2361 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 YH37976 [0,1,0,0,0,0|2,0,1]=4 38 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 CJ2540 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [0,0,1,0,0,0|1,1,1]=4 40 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [0,0,1,0,0,0|1,1,1]=4 41 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [0,0,1,0,0,0|1,0,1]=3 42 B11R1.22 COC(=O)C1=CC=C(F)N=C1 XJ1741 [0,0,1,0,0,0|2,0,1]=4 43 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [0,0,1,0,0,0|1,1,1]=4 44 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [0,0,1,0,0,0|2,0,1]=4 46 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [0,0,1,0,0,0|2,0,1]=4 47 B11R1.37 N#CC1=CC=C(F)C=C1CBr YH00897 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.166 CC1=C(B(O)O)C=CC(F)=C1 LL2171 [0,0,1,0,0,0|0,0,0]=1 49 B11R1.166 CC1=C(B(O)O)C=NC(Cl)=C1 YH95238 [0,0,1,0,0,0|1,1,0]=3 50 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O YH17041 [0,0,1,0,0,0|1,1,1]=4 51 B11R1.166 CC1=CC(F)=CC=C1[N+](=O)[O-] XJ0765 [0,0,1,0,0,0|1,0,2]=4 52 B11R1.166 CC1=CC(O)=CC=C1B(O)O LL2867 [0,0,1,0,0,0|1,0,0]=2 53 B11R1.166 CC1=NC(F)=CC=C1C(=O)O LX2404 [0,0,1,0,0,0|2,0,1]=4 54 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [0,0,1,0,0,0|2,0,1]=4 55 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [0,0,1,0,0,0|2,0,1]=4 56 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [0,0,1,0,0,0|2,0,1]=4 57 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [0,0,1,0,0,0|2,0,1]=4 58 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 CJ2522 [0,0,1,0,0,0|2,0,0]=3 59 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 LT0124 [0,0,1,0,0,0|1,0,0]=2 60 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl CJ2498 [0,0,1,0,0,0|1,1,0]=3 61 B11R1.166 OB(O)C1=CC=C(Cl)C=C1F HL3648 [0,0,1,0,0,0|1,1,0]=3 62 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 LX2938 [0,0,0,0,0,1|2,0,1]=4 63 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 YH66658 [0,0,0,0,0,1|2,0,1]=4 64 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [1,0,1,0,0,0|1,0,1]=4 66 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [1,0,1,0,0,0|1,0,0]=3 67 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY0255 [1,0,1,0,0,0|1,0,0]=3 68 B10R1.13 CC1=CC=C(B(O)O)C=N1 RT6584 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.13 CC1=CN=C(B(O)O)C=C1 YH57645 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.13 NC1=CC=C(B(O)O)C=C1 SY0280 [1,0,1,0,0,0|1,0,0]=3 72 B10R1.13 NC1=CC=C(B(O)O)C=N1 CJ2602 [1,0,1,0,0,0|2,0,0]=4 73 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [1,0,1,0,0,0|1,0,1]=4 74 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CJ2455 [1,0,1,0,0,0|0,1,0]=3 75 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 LQ1888 [1,0,1,0,0,0|0,1,0]=3 76 B10R1.13 OB(O)C1=CC=C(F)C=C1 XJ1901 [1,0,1,0,0,0|0,0,0]=2 77 B10R1.13 OB(O)C1=CC=C(O)C=C1 XJ6238 [1,0,1,0,0,0|1,0,0]=3 78 B10R1.13 OB(O)C1=CN=C(Br)C=C1 YH47439 [1,0,1,0,0,0|1,1,0]=4 79 B10R1.13 OB(O)C1=CN=C(F)C=C1 LL2843 [1,0,1,0,0,0|1,0,0]=3 80 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,0,1,0,0,0|1,0,1]=4 81 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,0,1,0,0,0|2,0,0]=4 82 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,0,1,0,0,0|2,0,0]=4 83 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,0,1,0,0,0|2,0,0]=4 85 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,0,1,0,0,0|1,0,1]=4 86 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,0,1,0,0,0|1,1,0]=4 87 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,0,1,0,0,0|1,0,1]=4 89 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,0,1,0,0,0|2,0,0]=4 90 B10R1.20 OCC1=CC=CC=C1CO HL0136 [1,0,1,0,0,0|1,0,0]=3 91 B10R1.25 CC1=C(C#N)C=CC(F)=C1 YH35540 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.25 CC1=CC(F)=CC=C1C=O YH11075 [1,0,1,0,0,0|1,0,1]=4 93 B10R1.25 COC1=C(C)C=C(F)C=C1 LQ0747 [1,0,1,0,0,0|2,0,0]=4 94 B10R1.25 O=CC1=CC=C(F)C=C1O LQ0712 [1,0,1,0,0,0|1,0,1]=4 95 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 HL3864 [1,0,1,0,0,0|2,0,0]=4 96 B10R1.30 CC1=CC=C(C)C(CO)=C1 LQ5315 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.30 CCC1=CC(Br)=CC=C1O RT11159 [1,0,1,0,0,0|1,1,0]=4 98 B10R1.30 FC1=CC(CCl)=C(F)C=C1 LL0894 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.30 FC1=CC=C(F)C(CBr)=C1 HL4746 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.30 NC1=CC=C(Cl)C(CO)=C1 YH94191 [1,0,1,0,0,0|2,0,0]=4 101 B10R1.30 NCC1=C(F)C=CC(F)=C1 HL4753 [1,0,1,0,0,0|2,0,0]=4 102 B10R1.30 O=CC1=C(O)C=CC(F)=C1 LQ0707 [1,0,1,0,0,0|0,0,2]=4 103 B10R1.30 OCC1=C(Br)C=CC(F)=C1 YH44611 [1,0,1,0,0,0|1,0,0]=3 104 B10R1.30 OCC1=C(F)C=CC(Br)=C1 XJ6719 [1,0,1,0,0,0|1,1,0]=4 105 B10R1.30 OCC1=CC(F)=CC=C1O LT3858 [1,0,1,0,0,0|0,0,0]=2 106 B10R1.61 CC1=C(B(O)O)C=CC=N1 HL4849 [1,0,1,0,0,0|1,0,0]=3 107 B10R1.61 CC1=C(B(O)O)C=NC=C1 LL2253 [1,0,1,0,0,0|1,0,0]=3 108 B10R1.61 CC1=C(C(=O)O)C=CC=C1 LQ0494 [1,0,1,0,0,0|1,0,1]=4 109 B10R1.61 CC1=CC=CC=C1B(O)O LT6617 [1,0,1,0,0,0|0,0,0]=2 110 B10R1.61 CC1=CC=CN=C1B(O)O YH96307 [1,0,1,0,0,0|1,0,0]=3 111 B10R1.61 NC1=CC=CC=C1B(O)O LT0279 [1,0,1,0,0,0|1,0,0]=3 112 B10R1.61 O=C1NC=CC=C1B(O)O CJ3014 [1,0,1,0,0,0|2,0,0]=4 113 B10R1.61 OB(O)C1=C(Br)N=CC=C1 HL4074 [1,0,1,0,0,0|2,0,0]=4 114 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 LT1715 [1,0,1,0,0,0|1,0,0]=3 115 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 YH02131 [1,0,1,0,0,0|2,0,0]=4 116 B10R1.61 OB(O)C1=C(Cl)C=NC=C1 HL4089 [1,0,1,0,0,0|2,0,0]=4 117 B10R1.61 OB(O)C1=C(Cl)N=CC=C1 LT3713 [1,0,1,0,0,0|2,0,0]=4 118 B10R1.61 OB(O)C1=C(F)C=CC=C1 XJ1970 [1,0,1,0,0,0|1,0,0]=3 119 B10R1.61 OB(O)C1=C(F)C=NC=C1 CJ2435 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.61 OB(O)C1=CC=CN=C1F HL3682 [1,0,1,0,0,0|2,0,0]=4 121 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [2,0,0,0,0,0|2,0,0]=4 122 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [2,0,0,0,0,0|2,0,0]=4 123 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [2,0,0,0,0,0|2,0,0]=4 124 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [2,0,0,0,0,0|2,0,0]=4 125 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [2,0,0,0,0,0|2,0,0]=4 126 B12R1.367 COC(=O)C1=CC(O)=C(F)C=C1 LL2617 [0,1,1,0,0,0|1,0,1]=4 127 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CJ2192 [0,1,1,0,0,0|1,0,1]=4 128 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 HL1734 [0,1,1,0,0,0|1,0,1]=4 129 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 HL1832 [0,1,1,0,0,0|2,0,0]=4 130 B12R1.78 COC1=CC=C(CO)C(CO)=C1 LQ4906 [0,1,1,0,0,0|2,0,0]=4 131 B12R1.232 CC1=C(Cl)C=C(F)C(B(O)O)=C1 LT3854 [0,1,1,0,0,0|1,1,0]=4 132 B12R1.232 OB(O)C1=CC(F)=C(F)C=C1F HL3930 [0,1,1,0,0,0|1,0,0]=3 133 B12R1.452 COC1=CC(C)=C(B(O)O)C=C1 HL3869 [0,1,1,0,0,0|1,0,0]=3 134 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 LL2350 [0,1,1,0,0,0|2,0,0]=4 135 B12R1.893 OB(O)C1=C(Cl)C(Cl)=C(Cl)C=C1 LL2850 [0,1,1,0,0,0|1,1,0]=4 136 B12R1.1000 CC1=C(B(O)O)C(O)=CC(Cl)=C1 YH65454 [0,1,1,0,0,0|0,1,0]=3 137 B12R1.1000 CC1=CC(C)=C(B(O)O)C(C)=C1 LQ2997 [0,1,1,0,0,0|1,0,0]=3 138 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O YH38742 [0,1,1,0,0,0|1,0,1]=4 139 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1Cl LL1313 [0,1,1,0,0,0|1,1,0]=4 140 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [1,1,0,0,0,0|2,0,0]=4 141 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 XJ4519 [1,1,0,0,0,0|1,0,1]=4 142 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 YH21568 [1,1,0,0,0,0|1,0,1]=4 143 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [1,1,0,0,0,0|1,0,1]=4 144 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [1,1,0,0,0,0|1,0,1]=4 145 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 LT6085 [1,1,0,0,0,0|2,0,0]=4 146 B14R2.2332 OCC1CCC2=CC(F)=CC=C2O1 RT8746 [0,1,0,0,0,1|2,0,0]=4 147 B12R2.24 FC1=CC2=C(C=C1)OCCC2 RT8167 [0,0,1,1,0,0|2,0,0]=4 148 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [1,0,0,1,0,0|2,0,0]=4 149 B10R1.59 CC1=CC(B(O)O)=C(C)S1 CJ3439 [0,0,1,0,1,0|2,0,0]=4 150 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,0,1,0|1,0,1]=4 151 B10R2.31 BrC1=CC=C2CCC2=C1 LX2503 [1,0,0,0,1,0|1,1,0]=4 152 B10R2.31 NC1=CC=C2CCC2=C1 YH07057 [1,0,0,0,1,0|2,0,0]=4 153 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 YH00198 [0,0,1,0,0,1|1,0,1]=4