0 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 LT5984 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 YH01364 [1,0,0,0,0,0|0,0,2]=3 2 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 RT11898 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 LQ3239 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.78 COC1=C(OC)C=C(CN)C=C1 LT2204 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.78 COC1=CC=C(C=O)C=C1CCl RT10989 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.78 COC1=CC=C(C=O)C=C1OC LT6106 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.78 COC1=CC=C(CO)C=C1OC LT6646 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 LL0278 [1,0,0,0,0,0|0,0,0]=1 9 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 HL2357 [1,0,0,0,0,0|0,0,2]=3 10 B12R1.286 COC1=CC(CCN)=CC=C1O LT6117 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.286 COC1=CC(CCN)=CC=C1O LT6118 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.286 C\C=C\C1=CC=C(O)C(OC)=C1 LL0279 [1,0,0,0,0,0|0,0,2]=3 13 B12R1.288 COC1=CC=C(CC#N)C=C1F LQ0803 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.288 COC1=CC=C(CCN)C=C1O YH54260 [1,0,0,0,0,0|1,0,1]=3 15 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 LT5051 [0,1,0,0,0,0|0,0,2]=3 16 B14R1.793 COC1=CC=C(CCCCl)C=C1OC RT6005 [0,1,0,0,0,0|0,0,2]=3 17 B14R1.793 COC1=CC=C(\C=C\C#N)C=C1OC XJ3104 [0,1,0,0,0,0|0,0,2]=3 18 B14R1.1864 CCC(=O)C1=CC=C(OC)C(OC)=C1 RT6114 [0,1,0,0,0,0|0,0,3]=4 19 B14R1.1864 CCC(O)C1=CC=C(OC)C(OC)=C1 RT5980 [0,1,0,0,0,0|0,0,2]=3 20 B14R1.1864 COC1=C(OC)C=C(C(=O)CCl)C=C1 YH45156 [0,1,0,0,0,0|1,0,2]=4 21 B14R1.1864 COC1=CC=C([C@@H](O)CI)C=C1OC RT7262 [0,1,0,0,0,0|1,0,1]=3 22 B14R1.1864 COC1=CC=C([C@@H](O)CO)C=C1OC RT7258 [0,1,0,0,0,0|1,0,1]=3 23 B14R1.3237 COC1=C(OC)C(O)=CC(CCN)=C1 RT3102 [0,1,0,0,0,0|1,0,1]=3 24 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 LT6648 [0,1,0,0,0,0|1,0,0]=2 25 B14R1.3651 COC1=CC=C(C[C@H](C)O)C=C1OC YH66491 [0,1,0,0,0,0|0,0,2]=3 26 B14R1.6794 COC1=CC=C(CCO)C=C1C(C)=O RT6107 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.10285 COC1=CC=C(CCN)C(C)=C1OC RT3134 [0,1,0,0,0,0|1,0,1]=3 28 B14R1.10285 COC1=CC=C(CCN)C(Cl)=C1OC LT1690 [0,1,0,0,0,0|1,0,1]=3 29 B14R1.14946 COC1=C(OC)C=C(CCN)C(C)=C1 RT3124 [0,1,0,0,0,0|1,0,1]=3 30 B14R1.14946 COC1=CC(I)=C(CC#N)C=C1OC RT11095 [0,1,0,0,0,0|1,0,1]=3 31 B14R2.82 COC1=C(OC)C=C2NC=CC2=C1 RT2784 [0,0,0,1,0,0|1,0,0]=2 32 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 YH15898 [0,0,0,1,0,0|2,0,0]=3 33 B14R2.82 COC1=CC2=C(C=C1OC)CC=C2 YH65804 [0,0,0,1,0,0|0,0,0]=1 34 B11R1.37 COC1=C(OC)C=C(F)C=C1 HL1782 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.37 COC1=C(OC)C=C(N)C=C1 LT1835 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.37 COC1=C(OC)C=C(O)C=C1 RT6475 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.37 COC1=C(OC)C=C(S)C=C1 JZ4106 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.37 COC1=CC(C)=CC=C1C=O YH07924 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.37 COC1=CC=C(I)N=C1OC YH54283 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.279 C(=O)C1=CC(O)=C(OC)C=C1 LT7593 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.279 C(=O)C1=CC=C(OC)C(F)=C1 LQ0744 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 LT6726 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.279 COC1=C(C)C=C(C=O)C=C1 XJ5100 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.279 COC1=CC=C(C#N)C=C1O YH05403 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.279 COC1=CC=C(C=O)C=C1Cl XJ2780 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.280 COC1=C(Br)C=CC(CO)=C1 YH39531 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.280 COC1=C(F)C=CC(C=O)=C1 YH30893 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.280 COC1=C(O)C=CC(CN)=C1 LT2726 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.280 COC1=CC(C=O)=CC=C1O RT11342 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.280 COC1=CC(CBr)=CC=C1F YH34087 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.189 COC1=CC=CC(CC#N)=C1 LT3029 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.189 COC1=CC=CC(CCN)=C1 XJ2033 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 YH25190 [2,0,0,0,0,0|0,0,0]=2 54 B11R1.192 NCCC1=CC(O)=C(O)C=C1 XJ0012 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.192 O=CCC1=CC=C(O)C(O)=C1 RT12179 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.83 C=CCC1=CC=C(OC)C=C1 HL4630 [2,0,0,0,0,0|0,0,0]=2 57 B11R1.83 C=CCC1=CC=C(OC)C=C1 XJ1725 [2,0,0,0,0,0|0,0,0]=2 58 B11R1.83 CNCC1=CC=C(OC)C=C1 YH91719 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.83 COC1=CC=C(CC#N)C=C1 LL0369 [2,0,0,0,0,0|1,0,1]=4 60 B11R1.83 COC1=CC=C(CC=O)C=C1 XJ2955 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.83 COC1=CC=C(CCCl)C=C1 RT6112 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.83 COC1=CC=C(CCN)C=C1 RT11955 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.83 COC1=CC=C(CON)C=C1 LL1707 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.83 COC1=CC=C(CON)C=C1 LT1378 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.83 COC1=CC=C(\C=C\Br)C=C1 RT6348 [2,0,0,0,0,0|1,0,1]=4 66 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 HL2697 [2,0,0,0,0,0|0,0,2]=4 67 B13R1.355 CCOC1=CC(C=O)=CC=C1OC HL0717 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 XJ5009 [1,1,0,0,0,0|1,0,0]=3 69 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 LL0467 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC XJ2911 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.2422 COC1=C(OC)C(Cl)=C(C=O)C=C1 HL2962 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.2422 COC1=CC=C(C=O)C(Br)=C1OC RT11047 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.2422 COC1=CC=C(CO)C(Br)=C1OC RT11050 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.3091 COC1=C(OC)C=C(C(=O)Cl)C=C1 JZ2311 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 HL0718 [1,1,0,0,0,0|0,0,1]=3 76 B13R1.3091 COC1=CC=C(C(=N)N)C=C1OC YH14526 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.3091 COC1=CC=C(C(N)=O)C=C1OC YH36327 [1,1,0,0,0,0|1,0,0]=3 78 B13R1.3091 COC1=CC=C([N+](=O)[O-])C=C1OC JZ0694 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.49 COC1=CC(C(O)CN)=CC=C1O RT3146 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.49 COC1=CC(C(O)CO)=CC=C1O RT11623 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 YH18817 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 XJ0608 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.575 COC1=CC(\C=C\CO)=CC=C1O HL1830 [1,1,0,0,0,0|0,0,2]=4 84 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 HL0719 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.388 C\C=C\C1=CC=C(OCC)C(O)=C1 LT1727 [1,1,0,0,0,0|0,0,2]=4 86 B15R1.815 CNC[C@H](O)C1=CC=C(OC)C(OC)=C1 RT1860 [0,2,0,0,0,0|0,0,2]=4 87 B15R1.1195 COC1=CC=C(CCNC=O)C=C1OC RT2698 [0,2,0,0,0,0|0,0,1]=3 88 B15R1.3769 CCC(=O)CC1=CC=C(OC)C(OC)=C1 RT11970 [0,2,0,0,0,0|0,0,1]=3 89 B15R1.12854 COC1=CC=C(OCC(=O)O)C=C1OC RT11244 [0,2,0,0,0,0|1,0,0]=3 90 B15R1.3705 COC1=CC(CC#N)=CC(OC)=C1OC XJ3850 [0,2,0,0,0,0|1,0,1]=4 91 B15R1.1799 COC1=C(OC)C=C(CC(=O)O)C(Br)=C1 YH02561 [0,2,0,0,0,0|1,0,0]=3 92 B15R1.9641 CCOC1=C(OCC)C=C(CCN)C=C1 LT1827 [0,2,0,0,0,0|1,0,1]=4 93 B15R1.594 C\C=C\C1=CC=C(OC(C)=O)C(OC)=C1 HL1219 [0,2,0,0,0,0|0,0,2]=4 94 B15R1.27356 C\C=C\C1=CC(OC)=C(OC)C=C1OC JZ2665 [0,2,0,0,0,0|0,0,2]=4 95 B13R2.57 [C-]#[N+]C1=CC=C2OCCOC2=C1 LT4055 [1,0,0,1,0,0|1,0,1]=4 96 B13R2.449 C=CCC1=CC=C2OCOC2=C1 LQ0239 [1,0,0,1,0,0|0,0,0]=2 97 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 RT7877 [1,0,0,1,0,0|0,0,2]=4 98 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 XJ2690 [1,0,0,1,0,0|1,0,1]=4 99 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 RT4318 [1,0,0,1,0,0|1,0,1]=4 100 B13R2.449 NCCC1=CC=C2OCOC2=C1 HL0962 [1,0,0,1,0,0|1,0,1]=4 101 B13R2.599 COC1=CC2=C(C=CN2)C=C1F YH28391 [1,0,0,1,0,0|2,0,0]=4 102 B15R2.117 COC1=C(OC)C=C2CNCCC2=C1 YH40163 [0,1,0,1,0,0|0,0,2]=4 103 B15R2.20737 COC1=CC2=C(C=C1OC)C(C#N)C2 RT11075 [0,1,0,1,0,0|0,0,2]=4 104 B15R2.21574 COC1=C(OC)C=C2C(=C1)CCC2N YH95037 [0,1,0,1,0,0|0,0,2]=4 105 B15R2.21574 COC1=C(OC)C=C2C(=O)CCC2=C1 LT3274 [0,1,0,1,0,0|0,0,1]=3 106 B15R2.4367 C=CCC1=CC(OC)=C2OCOC2=C1 RT9374 [0,1,0,1,0,0|0,0,0]=2 107 B15R2.1668 CC(=O)OC1=CC=C2OCCOC2=C1 RT9255 [0,1,0,1,0,0|1,0,1]=4