0 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 LL0278 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 HL2357 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.286 COC1=CC(CCN)=CC=C1O LT6117 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.286 COC1=CC(CCN)=CC=C1O LT6118 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.286 C\C=C\C1=CC=C(O)C(OC)=C1 LL0279 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.189 COC1=CC(N=C=O)=CC=C1 LT2915 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.189 COC1=CC=CC(CC#N)=C1 LT3029 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.189 COC1=CC=CC(CCN)=C1 XJ2033 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.189 COC1=NC=CC(CCN)=C1 YH17803 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 YH25190 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.192 NCCC1=CC(O)=C(O)C=C1 XJ0012 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.192 NCCC1=CC(S)=C(O)C=C1 RT16281 [1,0,0,0,0,0|1,1,1]=4 12 B11R1.192 O=CCC1=CC=C(O)C(O)=C1 RT12179 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.192 O\N=C\C1=CC=C(O)C(O)=C1 HL2493 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.280 COC1=C(Br)C=CC(CO)=C1 YH39531 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 COC1=C(F)C=CC(C=O)=C1 YH30893 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=C(O)C=CC(CN)=C1 LT2726 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.280 COC1=CC(C=O)=CC=C1O RT11342 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.280 COC1=CC(CBr)=CC=C1F YH34087 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.280 COC1=CC(OC)=C(I)C=C1 JZ5392 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.280 COC1=CC=C(N)C(OC)=C1 XJ2288 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 JZ2388 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.49 COC1=CC(C(=O)CBr)=CC=C1O YH14451 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.49 COC1=CC(C(=O)CO)=CC=C1O LT2460 [0,1,0,0,0,0|1,0,2]=4 24 B13R1.49 COC1=CC(C(O)CN)=CC=C1O RT3146 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.49 COC1=CC(C(O)CO)=CC=C1O RT11623 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 YH18817 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 XJ0608 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 LT5984 [0,1,0,0,0,0|1,0,1]=3 29 B13R1.387 CC(=O)C1=CC(CCO)=CC=C1O RT6321 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.575 COC1=CC(\C=C\CO)=CC=C1O HL1830 [0,1,0,0,0,0|0,0,2]=3 31 B13R2.449 BrCCC1=CC=C2OCCC2=C1 RT7688 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.449 C=CCC1=CC=C2OCOC2=C1 LQ0239 [0,0,0,1,0,0|0,0,0]=1 33 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 RT7877 [0,0,0,1,0,0|0,0,2]=3 34 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 XJ2690 [0,0,0,1,0,0|1,0,1]=3 35 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 RT4318 [0,0,0,1,0,0|1,0,1]=3 36 B13R2.449 NCCC1=CC=C2OCOC2=C1 HL0962 [0,0,0,1,0,0|1,0,1]=3 37 B13R2.449 OCCC1=CC=C2OCCC2=C1 XJ6543 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.599 COC1=CC2=C(C=CN2)C=C1F YH28391 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.10 CC1=CC(NC=O)=CC=C1 HL2478 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.172 C(=O)C1=CC=CC(OC)=N1 YH06246 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.172 CCC1=CC=CC(CC)=C1 JZ5691 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.172 COC1=CC=CC(C#N)=C1 LQ1836 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.172 COC1=CC=CC(C=O)=C1 HL0099 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.172 COC1=CC=CC(CBr)=C1 HL0466 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.172 COC1=CC=CC(CN)=C1 HL2884 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.172 COC1=CC=CC(CO)=C1 LT2556 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.172 COC1=NC=CC(C=O)=C1 YH15897 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.176 C(=O)C1=CC(C)=C(O)C=C1 XJ4175 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.176 C=CC1=CC=C(O)C(O)=C1 RT11606 [2,0,0,0,0,0|0,0,0]=2 60 B10R1.176 CC1=C(C)C=C(CCl)C=C1 LQ0361 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.176 CC1=C(C)C=C(CN)C=C1 LQ0363 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.176 CC1=C(C)C=C(CO)C=C1 XJ3179 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.176 CC1=C(F)C=CC(CN)=C1 LL2726 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.176 CC1=NC(CO)=CC=C1O SY0017 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.176 CCC1=CC=C(O)C(O)=C1 HL0678 [2,0,0,0,0,0|0,0,1]=3 66 B10R1.176 N#CC1=CC(O)=C(O)C=C1 LT6099 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 XJ2310 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 LT6758 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.176 O=CC1=CC=C(O)C(O)=C1 LT6643 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.30 CCC1=CC(Br)=CC=C1O RT11159 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.30 CCC1=NC(C)=CC=C1O RT9719 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 YH40244 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 CJ2812 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.30 COC1=C(F)C=CC(F)=C1 YH17327 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.30 COC1=C(F)C=CC(N)=C1 LL1071 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.30 COC1=CC(Br)=CC=C1N LX2103 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.30 COC1=CC(N)=CC=C1Br JZ5281 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 COC1=CC(N)=CC=C1O RT1602 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.30 COC1=CC(O)=CC=C1Br HL3101 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.30 COC1=CC(O)=CC=C1O LQ1490 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.30 COC1=NC(C)=CC=C1F CJ2127 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.30 COC1=NC(C)=CC=C1N YH42396 [2,0,0,0,0,0|2,0,0]=4 83 B12R1.280 C=CCC1=C(O)C(C=O)=CC=C1 RT10874 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.280 C=CCC1=C(O)C(OC)=CC=C1 YH08243 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.382 COC1=CC(OCCN)=CC=C1 RT3225 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.438 COC1=CC(CC(=O)O)=CC=C1 XJ1952 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.19 CC(=O)CC1=CC=C(O)C(O)=C1 RT16870 [1,1,0,0,0,0|0,0,1]=3 88 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O RT0058 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 HL1829 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 LQ4793 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.288 COC1=CC=C(CCN)C=C1O YH54260 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 LT7649 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 YH04566 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 HL3185 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 YH55551 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 LX2603 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 LX2787 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 RT3129 [1,1,0,0,0,0|0,0,2]=4 99 B12R1.544 NNCC1=CC=C(O)C(O)=C1O RT3113 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.1123 NCCC1=C(F)C=C(O)C(O)=C1 YH65313 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 HL4789 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 LL1051 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 HL2265 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 RT12307 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br LQ5384 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1O XJ2400 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 YH01364 [1,1,0,0,0,0|0,0,2]=4 108 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 RT11898 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 LQ3239 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.78 COC1=C(OC)C=C(CN)C=C1 LT2204 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.78 COC1=CC=C(C=O)C=C1OC LT6106 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.78 COC1=CC=C(CO)C=C1OC LT6646 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 XJ2308 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 LQ2860 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.300 COC1=CC(C=O)=CC(O)=C1O LQ2593 [1,1,0,0,0,0|1,0,0]=3 116 B14R1.41 COC1=CC(C(O)C(=O)O)=CC=C1O LQ0006 [0,2,0,0,0,0|1,0,0]=3 117 B14R1.1864 CCC(O)C1=CC=C(OC)C(OC)=C1 RT5980 [0,2,0,0,0,0|0,0,2]=4 118 B14R1.1864 COC1=CC=C([C@@H](O)CI)C=C1OC RT7262 [0,2,0,0,0,0|1,0,1]=4 119 B14R1.1864 COC1=CC=C([C@@H](O)CO)C=C1OC RT7258 [0,2,0,0,0,0|1,0,1]=4 120 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 LT6648 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.3651 COC1=CC=C(C[C@H](C)O)C=C1OC YH66491 [0,2,0,0,0,0|0,0,2]=4 122 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 LT5051 [0,2,0,0,0,0|0,0,2]=4 123 B14R1.793 COC1=CC=C(CCCCl)C=C1OC RT6005 [0,2,0,0,0,0|0,0,2]=4 124 B14R1.793 COC1=CC=C(\C=C\C#N)C=C1OC XJ3104 [0,2,0,0,0,0|0,0,2]=4 125 B14R1.3237 COC1=C(OC)C(O)=CC(CCN)=C1 RT3102 [0,2,0,0,0,0|1,0,1]=4 126 B14R1.10285 COC1=CC=C(CCN)C(C)=C1OC RT3134 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.10285 COC1=CC=C(CCN)C(Cl)=C1OC LT1690 [0,2,0,0,0,0|1,0,1]=4 128 B14R1.14946 COC1=C(OC)C=C(CCN)C(C)=C1 RT3124 [0,2,0,0,0,0|1,0,1]=4 129 B14R1.14946 COC1=CC(I)=C(CC#N)C=C1OC RT11095 [0,2,0,0,0,0|1,0,1]=4 130 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 LL0986 [0,2,0,0,0,0|0,0,1]=3 131 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O RT6015 [0,2,0,0,0,0|0,0,1]=3 132 B14R1.42 COC1=CC(\C=C\N(=O)=O)=CC=C1O RT10793 [0,2,0,0,0,0|1,0,1]=4 133 B12R2.44 COC1=CC2=C(C=C1)OC=C2 YH32293 [1,0,0,1,0,0|1,0,1]=4 134 B12R2.44 COC1=CC2=C(C=CC2)C=C1 YH66031 [1,0,0,1,0,0|0,0,0]=2 135 B12R2.44 COC1=CC2=NC=CN2C=C1 RT14632 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.44 COC1=CC=C2C=CNC2=C1 JZ2243 [1,0,0,1,0,0|1,0,0]=3 137 B12R2.44 COC1=CC=C2NC=CC2=C1 JZ1178 [1,0,0,1,0,0|1,0,1]=4 138 B12R2.44 COC1=CC=C2NCCC2=C1 YH46729 [1,0,0,1,0,0|1,0,1]=4 139 B12R2.315 COC1=C2C=CNC2=CC=C1 JZ2637 [1,0,0,1,0,0|1,0,0]=3 140 B12R2.315 COC1=C2C=CNC2=NC=C1 YH28988 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.315 COC1=C2NC=CC2=CC=C1 JZ2244 [1,0,0,1,0,0|1,0,1]=4 142 B12R2.82 CC1=C2C=CNC2=CC=C1N YH43607 [1,0,0,1,0,0|2,0,0]=4 143 B12R2.100 CC1=CC2=C(C=C1C)CC=C2 YH65963 [1,0,0,1,0,0|1,0,0]=3 144 B12R2.100 CC1=CC2=C(C=CN2)C=C1Br YH20111 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.100 OC1=C(O)C=C2NCCC2=C1 JZ0607 [1,0,0,1,0,0|1,0,1]=4 146 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 LQ2402 [1,0,0,1,0,0|1,0,0]=3 147 B14R2.1008 CC(=O)CC1=CC=C2OCOC2=C1 YH02518 [0,1,0,1,0,0|0,0,1]=3 148 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 HL4430 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.82 COC1=C(OC)C=C2NC=CC2=C1 RT2784 [0,1,0,1,0,0|1,0,0]=3 150 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 YH15898 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.82 COC1=CC2=C(C=C1OC)CC=C2 YH65804 [0,1,0,1,0,0|0,0,0]=2 152 B14R2.991 OCCNC1=CC=C2OCOC2=C1 HL4676 [0,1,0,1,0,0|1,0,1]=4 153 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 RT6443 [0,1,0,1,0,0|0,0,1]=3