0 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.286 COC1=CC(=CC=C1N)SC#N S587141 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.192 CC1=CC(=CC=C1O)SC#N CDS016664 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,1,0,0,0,0|1,0,2]=4 20 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.49 COC1=CC(=CC=C1O)/C(=N\O)/N BOG00046 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [0,1,0,0,0,0|1,0,2]=4 26 B13R1.386 C=CCC1=NC(=C(C=C1)OC)OC ADE000502 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.386 COC1=C(C=C(C=C1)C#C[Cu])OC L162515 [0,1,0,0,0,0|1,0,2]=4 28 B13R1.386 COC1=CC=C(C=C1OC)C=NO S368415 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.386 COC1=CC=C(C=C1OC)SC#N S756636 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,1,0,0,0,0|1,0,1]=3 31 B13R1.575 C=CCSC1=NC=C(C(=N1)OC)O R746096 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.4030 COC1=C(C(=CC(=C1)/C=N/O)Br)O OTV000217 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.121 COC1=C2C=CNC2=NC=C1Cl ADE000985 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [0,0,0,1,0,0|1,0,2]=4 35 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [0,0,0,1,0,0|0,0,2]=3 36 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 R427209 [0,0,0,1,0,0|1,0,2]=4 37 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [0,0,0,1,0,0|1,0,1]=3 38 B13R2.449 ON=CC1=CC2=C(C=C1)OCO2 S526185 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.599 COC1=C(C=C2C=NNC2=C1)Br SYX00190 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|0,0,2]=4 45 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [2,0,0,0,0,0|0,0,1]=3 47 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [2,0,0,0,0,0|1,1,0]=4 55 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [2,0,0,0,0,0|1,0,1]=4 79 B12R1.270 C(=O)C1=CC=C(C(=C1)CC=C)O CBR00234 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.278 CCOC1=CC=CC(=C1)CC#N PH009874 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.280 COC1=CC=CC(=C1O)CC#N PH011489 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.382 COC1=CC(=CC=C1)CCCN CBR01749 [1,1,0,0,0,0|0,0,2]=4 83 B12R1.382 COC1=CC(=CC=C1)CCCO PH016113 [1,1,0,0,0,0|0,0,2]=4 84 B12R1.382 COC1=CC(=CC=C1)OCCN R414409 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.382 COC1=CC=CC(=C1)CCNN PH019074 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.382 COC1=CC=CC(=C1)OCC#N OTV000048 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.435 COC1=CC=CC(=C1)C(Br)CBr PH006231 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,1,0,0,0,0|0,0,2]=4 102 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,1,0,0,0,0|0,0,2]=4 103 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [1,1,0,0,0,0|0,0,2]=4 108 B12R1.78 COC1=C(N=C(C=C1)C=O)OC ADE000507 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.78 COC1=C(N=C(C=C1)CO)OC ADE000517 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.78 COC1=C(N=CC(=C1)C=O)OC ADE000511 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.78 COC1=C(N=CC(=C1)CO)OC ADE000519 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.449 COC1=C(C=C(C(=C1)C#N)Br)O VBP00086 [1,1,0,0,0,0|1,0,1]=4 117 B14R1.44 COC1=CC(=CC=C1O)C(OC)OC S291404 [0,2,0,0,0,0|1,0,1]=4 118 B14R1.1864 C#CC(O)C1=CC=C(C(=C1)OC)OC R149942 [0,2,0,0,0,0|0,0,2]=4 119 B14R1.1864 COC1=C(C=C(C=C1)C(O)C#N)OC PH010389 [0,2,0,0,0,0|1,0,1]=4 120 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O PH003466 [0,2,0,0,0,0|0,0,1]=3 121 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,2,0,0,0,0|1,0,1]=4 122 B14R1.3651 COC1=CC=C(C=C1OC)CC(=N)N CBR01118 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,2,0,0,0,0|1,0,0]=3 124 B14R1.3651 COC1=CC=C(C=C1OC)CN(C)N PH007610 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.3651 COC1=CC=C(C=C1OC)NC(=S)N S592250 [0,2,0,0,0,0|2,0,0]=4 126 B14R1.6787 CCOC1=C(C=CC(=C1)CC#N)OC PH011512 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.793 COC1=C(C=C(C=C1)CCC#N)OC PH000519 [0,2,0,0,0,0|0,0,2]=4 128 B14R1.6788 C/C=C/C1=CC=C(C(=C1)OC)OCC S926698 [0,2,0,0,0,0|0,0,2]=4 129 B14R1.6788 CCOC1=C(C=C(C=C1)CC#N)OC PH011508 [0,2,0,0,0,0|1,0,1]=4 130 B14R1.6788 CCOC1=C(C=C(C=C1)CCO)OC R278858 [0,2,0,0,0,0|1,0,1]=4 131 B14R1.14946 COC1=C(C=C(C(=C1)Br)CC#N)OC PH011495 [0,2,0,0,0,0|1,0,1]=4 132 B14R1.14946 COC1=C(C=C(C(=C1)I)CC#N)OC S741655 [0,2,0,0,0,0|1,0,1]=4 133 B14R1.794 C=CCOC1=CC=C(C(=C1)C(=O)C)O S808881 [0,2,0,0,0,0|1,0,0]=3 134 B14R1.42 C(=C/[N+](=O)[O-])\C1=CC=C(C(=C1)OC)O S594636 [0,2,0,0,0,0|1,0,1]=4 135 B14R1.15069 C(=O)C1=C(C=C(C(=C1)O)OC)CC=C S114804 [0,2,0,0,0,0|0,0,0]=2 136 B14R1.3236 COC1=CC(=CC(=C1O)OC)CC#N PH010977 [0,2,0,0,0,0|1,0,1]=4 137 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN CDS004542 [0,2,0,0,0,0|1,0,1]=4 138 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN PH019067 [0,2,0,0,0,0|1,0,1]=4 139 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [1,0,0,1,0,0|1,0,1]=4 140 B12R2.315 COC1=C2C=CNC2=CN=C1 ADE001011 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.315 COC1=CC=CC2=C1CNC2 CDS023355 [1,0,0,1,0,0|1,0,1]=4 143 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,0,0,1,0,0|1,0,0]=3 144 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 S55353 [0,1,0,1,0,0|1,0,1]=4 145 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 S170100 [0,1,0,1,0,0|1,0,1]=4 146 B14R2.1008 NC(=O)NC1=CC=C2OCOC2=C1 S732141 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 CDS016371 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 PH009886 [0,1,0,1,0,0|0,0,1]=3