0 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.386 C=CCC1=NC(=C(C=C1)OC)OC ADE000502 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.386 COC1=C(C=C(C=C1)C#C[Cu])OC L162515 [0,0,0,0,0,0|1,0,2]=3 3 B13R1.386 COC1=C(N=C(C=C1)/C=N/O)OC ADE000525 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.386 COC1=C(N=CC(=C1)/C=N/O)OC ADE000522 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.386 COC1=CC=C(C=C1OC)C=NO S368415 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.386 COC1=CC=C(C=C1OC)SC#N S756636 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [1,0,0,0,0,0|0,0,2]=3 9 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl TMT00282 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.78 COC1=C(N=C(C=C1)C#N)OC ADE000524 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.78 COC1=C(N=C(C=C1)C=O)OC ADE000507 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.78 COC1=C(N=C(C=C1)CO)OC ADE000517 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.78 COC1=C(N=CC(=C1)C#N)OC ADE000523 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.78 COC1=C(N=CC(=C1)C=O)OC ADE000511 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.78 COC1=C(N=CC(=C1)CO)OC ADE000519 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.78 COC1=CC=C(C(=N1)OC)OC ADE001428 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,0,0,0,0,0|0,0,2]=3 23 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [1,0,0,0,0,0|2,0,1]=4 25 B14R1.793 COC1=C(C=C(C=C1)CCC#N)OC PH000519 [0,1,0,0,0,0|0,0,2]=3 26 B14R1.1864 C#CC(O)C1=CC=C(C(=C1)OC)OC R149942 [0,1,0,0,0,0|0,0,2]=3 27 B14R1.1864 COC1=C(C=C(C=C1)C(O)C#N)OC PH010389 [0,1,0,0,0,0|1,0,1]=3 28 B14R1.1864 COC1=CC=C(C=C1OC)/C(=N/O)/C PH004190 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.3237 COC1=C(C(=CC(=C1)/C=N/O)Br)OC OTV000090 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,1,0,0,0,0|1,0,1]=3 31 B14R1.3651 COC1=C(C=CC(=C1)NC(=S)C)SC R675458 [0,1,0,0,0,0|1,1,1]=4 32 B14R1.3651 COC1=CC=C(C=C1OC)CC(=N)N CBR01118 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,1,0,0,0,0|1,0,0]=2 34 B14R1.3651 COC1=CC=C(C=C1OC)CN(C)N PH007610 [0,1,0,0,0,0|1,0,1]=3 35 B14R1.3651 COC1=CC=C(C=C1OC)NC(=S)N S592250 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.6787 CCOC1=C(C=CC(=C1)CC#N)OC PH011512 [0,1,0,0,0,0|1,0,1]=3 37 B14R1.6788 C/C=C/C1=CC=C(C(=C1)OC)OCC S926698 [0,1,0,0,0,0|0,0,2]=3 38 B14R1.6788 CCOC1=C(C=C(C=C1)CC#N)OC PH011508 [0,1,0,0,0,0|1,0,1]=3 39 B14R1.6788 CCOC1=C(C=C(C=C1)CCO)OC R278858 [0,1,0,0,0,0|1,0,1]=3 40 B14R1.6788 CCOC1=CC=C(C=C1OC)/C=N/C S767115 [0,1,0,0,0,0|1,0,2]=4 41 B14R1.14946 COC1=C(C=C(C(=C1)Br)CC#N)OC PH011495 [0,1,0,0,0,0|1,0,1]=3 42 B14R1.14946 COC1=C(C=C(C(=C1)I)CC#N)OC S741655 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 CDS016371 [0,0,0,1,0,0|2,0,0]=3 44 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [2,0,0,0,0,0|1,0,1]=4 66 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [2,0,0,0,0,0|1,0,1]=4 67 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [2,0,0,0,0,0|1,0,1]=4 70 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [2,0,0,0,0,0|1,0,1]=4 71 B13R1.355 CCOC1=C(C=CC(=C1)CO)OC R160164 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.434 COC1=CC(=CC(=C1OC)Br)C#N OTV000091 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.434 COC1=CC(=CC(=C1OC)Br)CO PH000160 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.1249 CCOC1=CC=C(C=C1OC)CO R160156 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.1249 CCOC1=CC=C(C=C1OC)CO S321699 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.2200 COC1=C(C=C(C(=C1)Br)C#N)OC VBP00016 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.2200 COC1=CC(=C(C=C1Br)OC)OC S846376 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.2200 COC1=CC(=C(C=C1OC)CO)Br TMT00349 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.2422 C(=O)C1=CC=C(C(=C1O)OC)OC CDS016523 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC ADE000510 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.3091 COC1=C(N=CC(=C1)C(=O)O)OC ADE000644 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N PH009840 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.3091 COC1=CC=C(C=C1OC)C(=S)N PH011041 [1,1,0,0,0,0|1,0,0]=3 84 B13R1.3091 COC1=CC=C(N=C1OC)C(=O)C ADE000753 [1,1,0,0,0,0|1,0,1]=4 85 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [1,1,0,0,0,0|1,0,1]=4 86 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.575 C=CCSC1=NC=C(C(=N1)OC)O R746096 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.577 C=CCSC1=NC(=C(C=N1)OC)O S215783 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [1,1,0,0,0,0|1,0,1]=4 92 B15R1.815 COC1=C(C=C(C=C1)C(=O)/C=N/O)OC L306614 [0,2,0,0,0,0|1,0,1]=4 93 B15R1.3769 COC1=C(C=C(C=C1)CC(=O)NN)OC PH011076 [0,2,0,0,0,0|1,0,0]=3 94 B15R1.3769 COC1=C(C=C(C=C1)NC(=S)SC)OC R592080 [0,2,0,0,0,0|1,0,1]=4 95 B15R1.3769 COC1=CC=C(C=C1OC)NC(=O)CCl TMT00586 [0,2,0,0,0,0|1,0,1]=4 96 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)N)OC PH004133 [0,2,0,0,0,0|0,0,1]=3 97 B15R1.12854 COC1=C(C=C(C=C1)C#CC(=O)O)OC S291773 [0,2,0,0,0,0|0,0,2]=4 98 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)N)OC T153753 [0,2,0,0,0,0|0,0,1]=3 99 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/C(=O)C S594512 [0,2,0,0,0,0|0,0,1]=3 100 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/[N+](=O)[O-] S752215 [0,2,0,0,0,0|1,0,1]=4 101 B15R1.12854 COC1=CC=C(C=C1OC)CNC(=O)N PH003538 [0,2,0,0,0,0|1,0,0]=3 102 B15R1.12854 COC1=CC=C(C=C1OC)COC(=O)C PH003713 [0,2,0,0,0,0|0,0,1]=3 103 B15R1.12854 COC1=CC=C(C=C1OC)SCC(=O)O PH011473 [0,2,0,0,0,0|1,0,0]=3 104 B15R1.12853 COC1=CC=C(C=C1OC)C(O)C(C)C PH010639 [0,2,0,0,0,0|0,0,2]=4 105 B15R1.3705 CNCC1=CC(=C(C(=C1)OC)OC)OC PH016713 [0,2,0,0,0,0|1,0,1]=4 106 B15R1.1799 COC1=C(C=C(C(=C1)Br)CC(=O)C)OC PH014741 [0,2,0,0,0,0|0,0,1]=3 107 B15R1.1799 COC1=C(C=C(C(=C1)Br)CC(=O)Cl)OC S244740 [0,2,0,0,0,0|1,0,0]=3 108 B15R1.1799 COC1=CC(=C(C=C1OC)CC(=O)O)Br S137057 [0,2,0,0,0,0|1,0,0]=3 109 B15R1.1799 COC1=CC(=C(C=C1OC)CC(=O)O)I S992593 [0,2,0,0,0,0|1,0,0]=3 110 B15R1.9548 CCOC1=C(C=C(C=C1)CC(=O)O)OC S458708 [0,2,0,0,0,0|1,0,0]=3 111 B15R1.9641 CCOC1=C(C=C(C=C1)CC#N)OCC R397598 [0,2,0,0,0,0|1,0,1]=4 112 B15R1.9641 CCOC1=C(C=C(C=C1)CCN)OCC PH010288 [0,2,0,0,0,0|1,0,1]=4 113 B15R1.594 CC=CC1=CC=C(C(=C1)OC)OC(=O)C S351636 [0,2,0,0,0,0|0,0,2]=4 114 B15R1.16568 COC1=C(C(=C(C=C1)CC#N)OC)OC PH011510 [0,2,0,0,0,0|1,0,1]=4 115 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 CDS014411 [1,0,0,1,0,0|1,0,0]=3 116 B13R2.57 NCC1=CC=C2OCCCC2=C1 CBR00854 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.57 NCC1=CC=C2OCCCC2=C1 CDS002275 [1,0,0,1,0,0|2,0,0]=4 118 B13R2.57 NNC1=CC=C2OCCOC2=C1 CBR00939 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.57 O=CC1=CN=C2OCCOC2=C1 ADE000032 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.57 OCC1=CN=C2OCCOC2=C1 ADE000037 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.57 [C-]#[N+]C1=CC2=C(C=C1)OCCO2 PH015687 [1,0,0,1,0,0|1,0,1]=4 122 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [1,0,0,1,0,0|0,0,2]=4 123 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [1,0,0,1,0,0|1,0,1]=4 124 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [1,0,0,1,0,0|2,0,0]=4 125 B15R2.117 COC1=C(C=C2CNCCC2=C1)OC OTV000264 [0,1,0,1,0,0|0,0,2]=4 126 B15R2.117 COC1=CC2=C(C=C1OC)CCCC2 S846600 [0,1,0,1,0,0|0,0,2]=4 127 B15R2.117 COC1=CC2=C(C=C1OC)CCN=C2 CDS015037 [0,1,0,1,0,0|0,0,1]=3 128 B15R2.117 COC1=CC2=C(C=NC=C2)C=C1OC R152277 [0,1,0,1,0,0|0,0,1]=3 129 B15R2.117 COC1=CC2=CN=NC=C2C=C1OC T312991 [0,1,0,1,0,0|1,0,1]=4 130 B15R2.2115 COC1=C(C2=C(C=C1)CCNC2)OC PH016864 [0,1,0,1,0,0|0,0,2]=4 131 B15R2.1668 CC(=O)CC1=CC2=C(C=C1)OCCO2 PH014738 [0,1,0,1,0,0|0,0,1]=3 132 B15R2.1668 O=C(O)CC1=CC=C2OCCCC2=C1 T319546 [0,1,0,1,0,0|2,0,0]=4 133 B15R2.2035 COC1=CC2=C(C=C1OC)NC(=N2)Cl PH007910 [0,1,0,1,0,0|2,0,0]=4 134 B15R2.2035 COC1=CC2=C(C=C1OC)SC(=N2)N L100919 [0,1,0,1,0,0|2,0,0]=4 135 B15R3.4266 C1=NC2=CC3=C(C=C2N1)OCCO3 OTV000641 [0,0,0,2,0,0|2,0,0]=4 136 B13R1.358 CNCC1=CC(=CC(=C1)OC)OC PH015526 [0,0,0,0,1,1|1,0,1]=4 137 B13R1.3911 CNCC1=CC=CC(=C1OC)OC CDS004421 [0,0,0,0,1,1|1,0,1]=4 138 B13R1.3911 COC1=C(C(=CC=C1)CC#N)OC PH011502 [0,0,0,0,1,1|1,0,1]=4