0 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl TMT00282 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.78 COC1=C(N=C(C=C1)C#N)OC ADE000524 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.78 COC1=C(N=C(C=C1)C=O)OC ADE000507 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.78 COC1=C(N=C(C=C1)CO)OC ADE000517 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.78 COC1=C(N=CC(=C1)C#N)OC ADE000523 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.78 COC1=C(N=CC(=C1)C=O)OC ADE000511 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.78 COC1=C(N=CC(=C1)CO)OC ADE000519 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.78 COC1=CC(=CC=C1CBr)C#N CDS022455 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.78 COC1=CC=C(C(=C1)CCl)OC S808725 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.78 COC1=CC=C(C(=N1)OC)OC ADE001428 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.78 COC1=CC=C(C=C1CBr)C#N CDS024326 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,0,0,0,0,0|2,1,0]=4 35 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,0,0,0,0,0|1,1,1]=4 39 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,0,0,0,0,0|1,0,2]=4 42 B13R1.99 C(=O)C1=CC(=C(C=C1)N(C)C)C#N CDS021658 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.99 COC1=CC=C(C(=C1)OC)C(C)O PH017427 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.355 CCOC1=C(C=CC(=C1)CO)OC R160164 [0,1,0,0,0,0|0,0,2]=3 45 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.386 C=CCC1=NC(=C(C=C1)OC)OC ADE000502 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.386 COC1=C(C=C(C=C1)C#C[Cu])OC L162515 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.386 COC1=C(N=C(C=C1)/C=N/O)OC ADE000525 [0,1,0,0,0,0|1,0,1]=3 49 B13R1.386 COC1=C(N=CC(=C1)/C=N/O)OC ADE000522 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.386 COC1=CC=C(C=C1OC)C=NO S368415 [0,1,0,0,0,0|0,0,1]=2 51 B13R1.386 COC1=CC=C(C=C1OC)SC#N S756636 [0,1,0,0,0,0|1,0,1]=3 52 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.434 COC1=C(C=C(C=C1C=O)C=O)O L497665 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.434 COC1=CC(=C(C(=N1)OC)OC)I ADE001433 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.434 COC1=CC(=CC(=C1OC)Br)C#N OTV000091 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.434 COC1=CC(=CC(=C1OC)Br)CO PH000160 [0,1,0,0,0,0|0,0,2]=3 57 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)CCl TMT00493 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.1249 CCOC1=CC=C(C=C1OC)CO R160156 [0,1,0,0,0,0|0,0,2]=3 59 B13R1.1249 CCOC1=CC=C(C=C1OC)CO S321699 [0,1,0,0,0,0|0,0,2]=3 60 B13R1.1249 COC1=CC=C(C(=C1)OC)CCO CDS016699 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.2200 COC1=C(C=C(C(=C1)Br)C#N)OC VBP00016 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.2200 COC1=CC(=C(C=C1Br)OC)OC S846376 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.2200 COC1=CC(=C(C=C1OC)CO)Br TMT00349 [0,1,0,0,0,0|0,0,2]=3 64 B13R1.2200 COC1=CC(=C(N=C1OC)OC)I ADE001434 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.2200 COC1=CC(=C(N=C1OC)OC)O ADE001448 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.2422 C(=O)C1=CC=C(C(=C1O)OC)OC CDS016523 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.2430 CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-] EME00346 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.2430 COC1=CC=C(C=C1C(=O)O)C=O CDS014068 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])C#N EME00311 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC ADE000510 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.3091 COC1=C(N=CC(=C1)C(=O)O)OC ADE000644 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N PH009840 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.3091 COC1=CC=C(C=C1OC)C(=S)N PH011041 [0,1,0,0,0,0|0,1,0]=2 74 B13R1.3091 COC1=CC=C(N=C1OC)C(=O)C ADE000753 [0,1,0,0,0,0|1,0,0]=2 75 B13R2.57 N#CC1=CN=C2OCCOC2=C1 ADE000036 [0,0,0,1,0,0|2,0,1]=4 76 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 CDS014411 [0,0,0,1,0,0|1,0,1]=3 77 B13R2.57 NCC1=CC=C2OCCCC2=C1 CBR00854 [0,0,0,1,0,0|2,0,1]=4 78 B13R2.57 NCC1=CC=C2OCCCC2=C1 CDS002275 [0,0,0,1,0,0|2,0,1]=4 79 B13R2.57 NNC1=CC=C2OCCOC2=C1 CBR00939 [0,0,0,1,0,0|2,0,0]=3 80 B13R2.57 O=CC1=CN=C2OCCCC2=C1 ADE000004 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.57 O=CC1=CN=C2OCCOC2=C1 ADE000032 [0,0,0,1,0,0|1,0,0]=2 82 B13R2.57 OCC1=CN=C2OCCOC2=C1 ADE000037 [0,0,0,1,0,0|1,0,2]=4 83 B13R2.57 [C-]#[N+]C1=CC2=C(C=C1)OCCO2 PH015687 [0,0,0,1,0,0|2,0,0]=3 84 B13R2.2130 CN1CCC2=CC(=CC=C12)C=O OTV000668 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.20 COC1=CC=CC=C1NN S264407 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [2,0,0,0,0,0|1,0,0]=3 92 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [2,0,0,0,0,0|0,0,1]=3 104 B10R1.30 COC1=NC(=O)NC=C1C T263567 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [2,0,0,0,0,0|2,0,0]=4 124 B12R1.46 COC1=C(C=C(C=C1)Cl)C(C)O PH015455 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.234 COC1=C(C(=NC(=C1)I)Br)OC ADE001319 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.268 CCOC1=CC(=CC=C1OC)O S330612 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.448 COC1=C(C=C(C(=C1)Br)Br)OC S813826 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.448 COC1=C(C=C(C(=C1)Br)I)OC S34569 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.448 COC1=C(C=C(C(=C1)I)I)OC S843970 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS018619 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS019847 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.448 COC1=CC(=O)C(=O)CC1OC S871532 [1,1,0,0,0,0|0,0,2]=4 136 B12R1.652 COC1=NC=C(C(=C1OC)I)Cl ADE000201 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.652 COC1=NC=C(C(=C1OC)O)Cl ADE000230 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.48 CNC1=CC=C(C=C1C)[N+](=O)[O-] PH011346 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.48 COC1=C(C=C(C=C1)C(=S)N)Br OTV000260 [1,1,0,0,0,0|1,1,0]=4 143 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [1,1,0,0,0,0|0,0,0]=2 145 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.48 COC1=CC=C(C=C1Cl)S(=O)[O-] S812595 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.48 COC1=CC=C(C=C1Cl)[N+](=O)[O-] PH010986 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.48 COC1=CC=C(C=C1I)[N+](=O)[O-] S362816 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.48 COC1=CC=C(C=C1[O-])[N+](=O)[O-] CDS013563 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.114 C(=O)C1=CC(=C(C=C1)OCC)Br CDS021544 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.114 CCNC1=CC=C(C=C1C)N=O PH007091 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.114 CCOC1=CC=C(C=C1C)C=O CDS022250 [1,1,0,0,0,0|0,0,0]=2 154 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [1,1,0,0,0,0|0,0,1]=3 157 B12R1.450 CC1=CC(=C(C=C1C=O)C)C=O PH007589 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.450 COC1=C(C=C(C(=C1)C)C#N)C S447900 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F CDS022247 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.450 COC1=CC(=C(C=C1Br)OC)C R166219 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.450 COC1=CC(=C(C=C1O)OC)Br BBO000531 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.653 COC1=CC=C(C(=C1C)C)OC S846821 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CDS016409 [1,1,0,0,0,0|0,0,0]=2 164 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [1,1,0,0,0,0|0,1,0]=3 165 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.56 COC1=CC(=CC=C1C)B(O)O CDS020070 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.270 C(=O)C1=CC=C(C(=C1)CC=C)O CBR00234 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [1,1,0,0,0,0|0,0,1]=3 174 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [1,1,0,0,0,0|0,0,1]=3 175 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [1,1,0,0,0,0|0,0,2]=4 176 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [1,1,0,0,0,0|0,0,0]=2 178 B12R1.449 COC1=C(C=C(C(=C1)C#N)Br)O VBP00086 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.449 COC1=CC(=C(C=C1N)C)OC PH008820 [1,1,0,0,0,0|2,0,0]=4 180 B14R1.441 C=CCC1=C(C=CC(=C1)C(=O)O)OC CBR00214 [0,2,0,0,0,0|1,0,1]=4 181 B14R1.2315 COC(=O)C1=CC(=CC=C1OC)OC S860778 [0,2,0,0,0,0|2,0,0]=4 182 B14R1.3723 C(=O)C1=CC=C(C(=C1)OC(=O)C)OC S332380 [0,2,0,0,0,0|0,0,0]=2 183 B14R1.3723 COC1=C(C=C(C=C1)C=O)CN(C)C CDS022385 [0,2,0,0,0,0|1,0,0]=3 184 B14R1.3723 COC1=CC=C(C=C1OC(C)C)C=O CDS002186 [0,2,0,0,0,0|0,0,0]=2 185 B14R1.5317 CCOC1=C(C(=CC(=C1)C#N)Br)OC OTV000122 [0,2,0,0,0,0|1,0,1]=4 186 B14R1.5317 CCOC1=C(C(=CC(=C1)C=O)Br)OC OTV000119 [0,2,0,0,0,0|0,0,0]=2 187 B14R1.6787 CCOC1=C(C=CC(=C1)CC#N)OC PH011512 [0,2,0,0,0,0|1,0,1]=4 188 B14R1.793 COC1=C(C=C(C=C1)CCC#N)OC PH000519 [0,2,0,0,0,0|1,0,1]=4 189 B14R1.1864 C#CC(O)C1=CC=C(C(=C1)OC)OC R149942 [0,2,0,0,0,0|0,0,2]=4 190 B14R1.1864 COC(=O)C1=CC(=C(C=C1)OC)CCl PH014453 [0,2,0,0,0,0|2,0,0]=4 191 B14R1.1864 COC(=O)C1=NC(=C(C=C1)OC)OC ADE000583 [0,2,0,0,0,0|1,0,0]=3 192 B14R1.1864 COC1=C(C=C(C=C1)C(O)C#N)OC PH010389 [0,2,0,0,0,0|0,0,2]=4 193 B14R1.1864 COC1=CC=C(C=C1OC)/C(=N/O)/C PH004190 [0,2,0,0,0,0|0,0,1]=3 194 B14R1.3237 COC1=C(C(=CC(=C1)/C=N/O)Br)OC OTV000090 [0,2,0,0,0,0|0,0,1]=3 195 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,2,0,0,0,0|0,0,0]=2 196 B14R1.3651 COC1=C(C=CC(=C1)NC(=S)C)SC R675458 [0,2,0,0,0,0|0,2,0]=4 197 B14R1.3651 COC1=CC=C(C=C1OC)CC(=N)N CBR01118 [0,2,0,0,0,0|1,0,0]=3 198 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,2,0,0,0,0|0,0,0]=2 199 B14R1.3651 COC1=CC=C(C=C1OC)CN(C)N PH007610 [0,2,0,0,0,0|1,0,1]=4 200 B14R1.3651 COC1=CC=C(C=C1OC)NC(=S)N S592250 [0,2,0,0,0,0|0,1,0]=3 201 B14R1.6788 C/C=C/C1=CC=C(C(=C1)OC)OCC S926698 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.6788 CCOC1=C(C=C(C=C1)CC#N)OC PH011508 [0,2,0,0,0,0|1,0,1]=4 203 B14R1.6788 CCOC1=C(C=C(C=C1)CCO)OC R278858 [0,2,0,0,0,0|0,0,2]=4 204 B14R1.6788 CCOC1=CC=C(C=C1OC)/C=N/C S767115 [0,2,0,0,0,0|1,0,0]=3 205 B14R1.14946 COC1=C(C=C(C(=C1)Br)CC#N)OC PH011495 [0,2,0,0,0,0|1,0,1]=4 206 B14R1.14946 COC1=C(C=C(C(=C1)I)CC#N)OC S741655 [0,2,0,0,0,0|1,0,1]=4 207 B14R1.350 COC1=C(C(=CC(=C1)C(=O)O)Br)OC S839434 [0,2,0,0,0,0|0,0,0]=2 208 B14R1.350 COC1=CC(=CC(=C1OC)I)C(=O)O R538868 [0,2,0,0,0,0|0,0,0]=2 209 B14R1.14885 CCOC1=C(C=C(C=C1Br)C=O)OC OTV000072 [0,2,0,0,0,0|0,0,0]=2 210 B14R1.14885 CCOC1=C(C=C(C=C1OC)C#N)Br OTV000092 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.101 COC1=CC(=CC=C1OC(C)C)CN CDS012877 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.5237 CCOC1=C(C=C(C=C1)C=O)B(O)O CDS021057 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.15070 CCOC1=C(C=C(C(=C1)Br)C#N)OC VBP00015 [0,2,0,0,0,0|1,0,1]=4 214 B14R1.1851 COC1=C(C=C(C(=C1)C)C(=O)C)OC S883166 [0,2,0,0,0,0|0,0,0]=2 215 B14R1.1851 COC1=C(C=C(C(=C1)N)C(=O)N)OC BBO000416 [0,2,0,0,0,0|0,0,0]=2 216 B14R1.1851 COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC PH006789 [0,2,0,0,0,0|1,0,0]=3 217 B14R1.1851 COC1=CC(=C(C=C1OC)C(=O)C)N R288713 [0,2,0,0,0,0|0,0,0]=2 218 B14R1.1851 COC1=CC(=C(C=C1OC)C(=S)N)N BOG00125 [0,2,0,0,0,0|0,1,0]=3 219 B14R1.1851 COC1=CC(=C(C=C1OC)[N+](=O)[O-])C PH011110 [0,2,0,0,0,0|1,0,0]=3 220 B14R1.1851 COC1=CC(=C(C=C1OC)[N+](=O)[O-])I S843962 [0,2,0,0,0,0|1,0,0]=3 221 B14R1.2282 COC1=CC(=C(N=C1OC)OC)C=O ADE001439 [0,2,0,0,0,0|1,0,0]=3 222 B14R1.2023 COC1=C(C(=C(C=C1)C(=O)O)N)OC PH008365 [0,2,0,0,0,0|0,0,0]=2 223 B14R1.31 COC1=C(C=C(C=C1)C(=O)O)B(O)O CDS020936 [0,2,0,0,0,0|2,0,0]=4 224 B14R1.3720 COC1=CC=C(C=C1C(C)(C)C)C=O L497738 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.3720 COC1=CC=C(C=C1C(F)(F)F)C=O CDS005795 [0,2,0,0,0,0|2,0,0]=4 226 B14R1.3654 COC1=C(C=C(C=C1)S(=O)(=O)O)OC PH015825 [0,2,0,0,0,0|1,0,0]=3 227 B14R1.3654 COC1=CC=C(C=C1OC)S(=O)(=O)O PH016845 [0,2,0,0,0,0|1,0,0]=3 228 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.24 BrC1=CN=C2OCCOC2=C1 ADE000018 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.24 ClC1=CN=C2OCCOC2=C1 ADE000042 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.24 IC1=CC=C2OCCOC2=N1 ADE000019 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.24 IC1=CN=C2OCCOC2=C1 ADE000021 [1,0,0,1,0,0|2,0,0]=4 235 B12R2.24 NC1=CN=C2OCCOC2=C1 ADE000038 [1,0,0,1,0,0|2,0,0]=4 236 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [1,0,0,1,0,0|0,0,1]=3 237 B12R2.24 OC1=CN=C2OCCOC2=C1 ADE000034 [1,0,0,1,0,0|1,0,1]=4 238 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [1,0,0,1,0,0|0,0,2]=4 239 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [1,0,0,1,0,0|2,0,0]=4 240 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [1,0,0,1,0,0|1,0,0]=3 242 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [1,0,0,1,0,0|0,0,2]=4 243 B14R2.2400 OCC1=CC=C2OCCCOC2=C1 PH014465 [0,1,0,1,0,0|0,0,2]=4 244 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 CDS016371 [0,1,0,1,0,0|1,0,0]=3 245 B14R2.1101 COC1=C2OCOC2=CC(=C1)CCl PH015292 [0,1,0,1,0,0|1,0,1]=4 246 B14R2.1101 COC1=C2OCOC2=CC(=C1)CO PH015536 [0,1,0,1,0,0|0,0,2]=4 247 B14R2.1101 COC1=CC(=CC2=C1OCO2)C=O CDS014281 [0,1,0,1,0,0|0,0,0]=2 248 B14R2.1101 COC1=CC(=CC2=C1OCO2)CN PH015673 [0,1,0,1,0,0|1,0,1]=4 249 B14R2.1128 O=CC1=C(C=C2OCCOC2=N1)Cl ADE001369 [0,1,0,1,0,0|1,0,0]=3 250 B14R2.781 CC(N)C1=CC=C2OCCOC2=C1 CDS010777 [0,1,0,1,0,0|1,0,1]=4 251 B14R2.781 NC(=O)C1=CC2=C(C=C1)OCCO2 EME00451 [0,1,0,1,0,0|0,0,0]=2 252 B14R2.781 O=C(Cl)C1=CC2=C(C=C1)OCCO2 PH009729 [0,1,0,1,0,0|0,0,0]=2 253 B14R2.781 O=C(O)C1=CN=C2OCCCC2=C1 ADE001305 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 ADE000035 [0,1,0,1,0,0|1,0,0]=3 255 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)OCCN2 OTV000830 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)OCCN2 VBP00108 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.781 O=[N+]([O-])C1=CC=C2NCCOC2=C1 VBP00107 [0,1,0,1,0,0|2,0,0]=4 258 B12R1.1879 COC1=CC=CC(=C1OC)SC R160598 [0,0,0,0,1,1|2,0,0]=4 259 B12R1.1879 COC1=CC=CC(=C1OC)SC S468444 [0,0,0,0,1,1|2,0,0]=4