0 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,0,0,0,0,0|0,0,1]=2 14 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,0,0,0,0,0|0,0,1]=2 16 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,0,0,0,0,0|0,0,2]=3 23 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,0,0,0,0,0|0,0,0]=1 28 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,0,0,0,0,0|0,1,0]=2 34 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,0,0,0,0,0|0,0,2]=3 36 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,0,0,0,0,0|1,0,0]=2 40 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,1,0,0,0,0|0,0,1]=2 44 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,1,0,0,0,0|1,0,2]=4 47 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.5 CN(N=O)C1=CC=C(C=C1)C=O CNP0181128.0 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.71 C#CCOC1=CC=C(C=C1)C=O CNP0167326.0 [0,1,0,0,0,0|0,0,1]=2 56 B12R1.71 CCC1=CC=C(C=C1)OCOC CNP0037548.0 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,1,0,0,0,0|1,0,2]=4 60 B12R1.113 CCCC1=CC=C(N=C1)C(=O)O CNP0313246.0 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CNP0230094.0 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.114 CCCC1=CC=C(C=C1C)CC CNP0216673.0 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [0,1,0,0,0,0|0,0,2]=3 67 B12R1.116 CCCC1=CC=C(C=C1)C[N+]#N CNP0577325.0 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.44 C=CC1=CC=C2OCOC2=C1 CNP0179510.0 [0,0,0,1,0,0|2,0,0]=3 70 B12R2.44 N#CC1=CC=C2OCOC2=C1 CNP0231839.0 [0,0,0,1,0,0|2,0,1]=4 71 B12R2.44 O=CC1=CC=C2C=COC2=C1 CNP0203335.0 [0,0,0,1,0,0|2,0,1]=4 72 B12R2.44 O=CC1=CC=C2CCCC2=C1 CNP0186232.0 [0,0,0,1,0,0|1,0,0]=2 73 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CNP0257577.0 [0,0,0,1,0,0|1,0,2]=4 74 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CNP0118306.0 [0,0,0,1,0,0|0,0,2]=3 75 B12R2.44 O=CC1=CC=C2OCOC2=C1 CNP0179491.0 [0,0,0,1,0,0|1,0,0]=2 76 B12R2.44 O=[14CH]C1=CC=C2OCOC2=C1 CNP0519930.0 [0,0,0,1,0,0|1,0,0]=2 77 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [0,0,0,1,0,0|1,0,2]=4 78 B10R1.96 CC#CC1=CC=C(S1)C=O CNP0344992.0 [0,0,0,0,1,0|2,0,1]=4 79 B10R1.96 COCC1=CC=C(N1)C=O CNP0285722.0 [0,0,0,0,1,0|3,0,0]=4 80 B10R1.96 COCC1=CC=C(O1)C=O CNP0331819.0 [0,0,0,0,1,0|3,0,0]=4 81 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [1,0,1,0,0,0|2,0,0]=4 82 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 86 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|0,0,0]=2 87 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|0,0,2]=4 88 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,1]=3 92 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,0]=3 93 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|0,0,1]=3 94 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,1]=4 95 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,1]=4 96 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|0,0,1]=3 100 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|0,0,1]=3 102 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [2,0,0,0,0,0|1,0,1]=4 103 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|0,0,0]=2 107 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [2,0,0,0,0,0|1,0,1]=4 108 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|0,0,2]=4 111 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|0,0,2]=4 113 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|1,0,1]=4 114 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|0,0,0]=2 120 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|1,1,0]=4 125 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,1]=4 127 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|2,0,0]=4 129 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [1,1,0,0,0,0|0,0,1]=3 134 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,1,0,0,0,0|0,0,1]=3 135 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,1,0,0,0,0|0,0,2]=4 143 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,1,0,0,0,0|0,0,2]=4 144 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 CNP0384373.0 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [1,1,0,0,0,0|0,0,1]=3 160 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [1,1,0,0,0,0|0,0,2]=4 161 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [1,1,0,0,0,0|0,0,0]=2 162 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [1,1,0,0,0,0|0,0,2]=4 163 B11R1.3 CC(C)C1=CC=C(CC1)C=O CNP0214622.0 [1,1,0,0,0,0|0,0,2]=4 164 B11R1.3 CC(C)C1=CCC(=CC1)C=O CNP0210839.0 [1,1,0,0,0,0|0,0,2]=4 165 B11R1.3 CC(C)[C@@H]1C=CC(=CC1)C=O CNP0111961.1 [1,1,0,0,0,0|0,0,2]=4 166 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,1,0,0,0,0|0,0,0]=2 167 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [1,1,0,0,0,0|0,0,0]=2 168 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [1,1,0,0,0,0|0,0,0]=2 169 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [1,1,0,0,0,0|0,0,2]=4 170 B11R1.3 CCC1=CN=C(C=N1)C(=O)C CNP0280983.0 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,1,0,0,0,0|0,0,0]=2 175 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [1,1,0,0,0,0|0,0,0]=2 176 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [1,1,0,0,0,0|0,0,0]=2 177 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [1,1,0,0,0,0|0,0,0]=2 178 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,1,0,0,0,0|0,0,2]=4 181 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,1,0,0,0,0|0,0,2]=4 182 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0489074.0 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [1,1,0,0,0,0|0,0,0]=2 196 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|0,0,0]=2 206 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.279 COC1=CC=C(C(=N1)N)N=O CNP0131979.0 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [1,1,0,0,0,0|0,0,0]=2 209 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|0,0,2]=4 210 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [1,1,0,0,0,0|0,0,0]=2 212 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|0,0,2]=4 213 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|0,0,2]=4 216 B11R1.43 CC(C)CC1=CC=C(N1)C=O CNP0372474.0 [0,1,0,0,1,0|2,0,0]=4 217 B11R1.214 CCOCC1=CC=C(N1)C=O CNP0163239.0 [0,1,0,0,1,0|1,0,0]=3 218 B13R1.142 C=CCC1=CC=C(C=C1)OC(=O)C CNP0418020.0 [0,2,0,0,0,0|1,0,1]=4 219 B13R1.142 CC(=O)OC1=CC=C(C=C1)CCO CNP0287085.0 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O CNP0313669.0 [0,2,0,0,0,0|0,0,0]=2 221 B13R1.142 CCOC1=CC=C(C=C1)CC(C)N CNP0191059.0 [0,2,0,0,0,0|1,0,1]=4 222 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C CNP0330924.0 [0,2,0,0,0,0|0,0,0]=2 223 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)O CNP0270069.0 [0,2,0,0,0,0|1,0,1]=4 224 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C CNP0141125.0 [0,2,0,0,0,0|0,0,1]=3 225 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O CNP0307817.0 [0,2,0,0,0,0|0,0,1]=3 226 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O CNP0471633.0 [0,2,0,0,0,0|1,0,0]=3 227 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O CNP0232023.0 [0,2,0,0,0,0|0,0,0]=2 228 B13R1.585 CC(C)OC1=CC=C(C=N1)C(=O)O CNP0350538.0 [0,2,0,0,0,0|1,0,0]=3 229 B13R1.653 C=CC1=CC=C(C(=C1)C)OC(=O)C CNP0588232.0 [0,2,0,0,0,0|1,0,1]=4 230 B13R1.653 CC(C)OC1=CC=C(C=C1O)CO CNP0438495.0 [0,2,0,0,0,0|0,0,2]=4 231 B13R1.39 CCN(CC)C1=CC=C(C=C1)C=O CNP0196515.0 [0,2,0,0,0,0|1,0,0]=3 232 B13R1.452 CCOC(=O)C1=CC=C(C=C1)NC CNP0322194.0 [0,2,0,0,0,0|2,0,0]=4 233 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC CNP0334589.0 [0,2,0,0,0,0|2,0,0]=4 234 B13R1.537 CC(=O)C1=CC=C(C=C1)[C@H](O)CO CNP0118446.1 [0,2,0,0,0,0|2,0,0]=4 235 B13R1.537 CC[C@@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.1 [0,2,0,0,0,0|1,0,0]=3 236 B13R1.537 CC[C@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.2 [0,2,0,0,0,0|1,0,0]=3 237 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)N CNP0483290.0 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O CNP0165133.0 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.537 O=C(O)C1=CC=C(C=C1)C(=O)CBr CNP0477948.0 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.3 C=CC1=CC=C(C=C1)COC(=O)C CNP0018344.0 [0,2,0,0,0,0|1,0,1]=4 241 B13R1.3 CC(=O)COC1=CC=C(C=C1)CN CNP0384005.0 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O CNP0310888.0 [0,2,0,0,0,0|0,0,0]=2 243 B13R1.3 NC(=O)COC1=CC=C(C=C1)C=O CNP0566426.0 [0,2,0,0,0,0|0,0,1]=3 244 B13R1.74 CC(C)C1=CC=C(C=C1)OCCO CNP0548598.0 [0,2,0,0,0,0|1,0,1]=4 245 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)Cl CNP0069306.0 [0,2,0,0,0,0|1,0,0]=3 246 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)O CNP0451250.0 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.74 CCCCC1=CC=C(N=C1)C(=O)N CNP0385407.0 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.74 CCCCC1=CC=C(N=C1)C(=O)O CNP0304533.0 [0,2,0,0,0,0|2,0,0]=4 249 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)O CNP0295278.0 [0,2,0,0,0,0|0,0,0]=2 250 B13R1.74 CCCOC1=CC=C(C=C1)C(C)N CNP0559987.0 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.77 CCOC1=CC=C(C=C1)C=CCO CNP0418887.0 [0,2,0,0,0,0|0,0,1]=3 252 B13R1.577 COCOC1=CC=C(C(=C1)O)C=O CNP0071107.0 [0,2,0,0,0,0|0,0,0]=2 253 B13R1.388 CC=CC1=CC=C(C(=C1)O)OCC CNP0359595.0 [0,2,0,0,0,0|1,0,0]=3 254 B13R1.1249 CCOC1=CC=C(C=C1C=O)OC CNP0274745.0 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,0,1,1,0,0|1,0,1]=4 256 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,0,1,1,0,0|0,0,2]=4 257 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [1,0,0,1,0,0|2,0,0]=4 258 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|1,0,1]=4 259 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,0,0,1,0,0|1,0,1]=4 260 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [1,0,0,1,0,0|1,0,1]=4 261 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,0,0,1,0,0|0,0,1]=3 262 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,0,0,1,0,0|1,0,1]=4 263 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|1,0,1]=4 264 B11R2.191 O=CC1=C2CCCN2C=C1 CNP0281636.0 [0,0,0,1,1,0|2,0,0]=4 265 B11R2.191 O=CC1=CC=C2N1CCC2 CNP0275297.0 [0,0,0,1,1,0|2,0,0]=4 266 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C CNP0316606.1 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 CNP0365179.0 [0,1,0,1,0,0|0,0,0]=2 268 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 CNP0109786.0 [0,1,0,1,0,0|1,0,0]=3 269 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 CNP0322148.0 [0,1,0,1,0,0|1,0,0]=3 270 B13R2.430 O=C(Cl)C1=CC=C2OCOC2=C1 CNP0266159.0 [0,1,0,1,0,0|1,0,0]=3 271 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CNP0314403.0 [0,1,0,1,0,0|0,0,2]=4 272 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CNP0201380.0 [0,1,0,1,0,0|0,0,0]=2 273 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 CNP0322584.0 [0,1,0,1,0,0|1,0,0]=3 274 B13R2.654 O=CC1=CC(=C2OCOC2=C1)Br CNP0233571.0 [0,1,0,1,0,0|1,0,0]=3 275 B13R2.449 C=CCC1=CC=C2OCOC2=C1 CNP0320423.0 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.449 C=CC[14C]1=[14CH][14CH]=[14C]2OCO[14C]2=[14CH]1 CNP0508090.0 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.449 CC=CC1=CC=C2OCOC2=C1 CNP0416776.0 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.449 CN=CC1=CC=C2OCOC2=C1 CNP0471034.0 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.449 O=CCC1=CC=C2OCOC2=C1 CNP0277871.0 [0,1,0,1,0,0|1,0,0]=3 280 B13R2.449 ON=CC1=CC=C2OCOC2=C1 CNP0190835.0 [0,1,0,1,0,0|1,0,1]=4 281 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 CNP0179323.0 [0,1,0,1,0,0|1,0,0]=3 282 B13R2.599 O=CC1=CC2=C(C=C1O)OCO2 CNP0167522.0 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [1,0,0,0,1,0|1,0,1]=4 284 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [1,0,0,0,1,0|1,0,0]=3 285 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [1,0,0,0,1,0|1,0,0]=3 286 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [1,0,0,0,1,0|1,0,0]=3 287 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [1,0,0,0,1,0|2,0,0]=4 288 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [1,0,0,0,1,0|2,0,0]=4 289 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [1,0,0,0,1,0|2,0,0]=4