0 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [0,0,0,0,0,0|0,0,4]=4 6 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,0,0,0,0,0|0,0,2]=2 7 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,0,0,0,0,0|0,0,2]=2 9 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,0,0,0,0,0|0,0,2]=2 10 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,0,0,0,0,0|1,0,0]=1 12 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,0,0,0,0,0|0,0,0]=0 13 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,0,0,0,0,0|1,0,0]=1 14 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,0,0,0,0,0|0,1,0]=1 15 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,0,0,0,0,0|1,0,1]=2 16 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,0,0,0,0,0|2,0,1]=3 17 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,0,0,0,0,0|2,0,1]=3 18 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,0,0,0,0,0|1,0,2]=3 19 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,0,0,0,0,0|2,0,1]=3 20 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,0,0,0,0,0|0,0,2]=3 23 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,0,0,0,0,0|1,0,0]=2 24 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,0,0,0,0,0|0,0,2]=3 27 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,0,0,0,0,0|0,0,2]=3 29 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [1,0,0,0,0,0|0,0,2]=3 30 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [1,0,0,0,0,0|1,0,2]=4 33 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,0,0,0,0,0|0,0,2]=3 34 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,0,0,0,0,0|0,0,2]=3 35 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,0,0,0,0|0,0,0]=1 36 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,0,0,0,0,0|1,0,0]=2 37 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,0,0,0,0,0|1,0,0]=2 38 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,0,0,0,0,0|0,0,0]=1 39 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,0,0,0,0,0|0,0,1]=2 40 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,0,0,0,0,0|0,0,1]=2 41 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,0,0,0,0,0|0,0,1]=2 42 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,0,0,0,0,0|0,0,1]=2 43 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,0,0,0,0,0|0,0,1]=2 44 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,0,0,0,0,0|0,0,1]=2 45 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,0,0,0,0,0|0,0,2]=3 47 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,0,0,0,0,0|0,0,2]=3 48 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,0,0,0,0,0|1,0,0]=2 49 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,0,0,0,0,0|1,0,1]=3 50 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,0,0,0,0|1,0,0]=2 51 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,0,0,0,0,0|1,0,0]=2 52 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,0,0,0,0,0|2,0,0]=3 53 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,0,0,0,0,0|1,0,0]=2 54 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,0,0,0,0,0|1,0,2]=4 55 B9R0.45 C#CCCCCCCCC CNP0272182.0 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,0,0,0,0,0|1,0,1]=3 59 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,0,0,0,0|1,0,2]=4 60 B9R0.45 CC=CCSSCCCC CNP0548815.0 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,0,0,0,0,0|1,0,2]=4 62 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|1,0,1]=3 63 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R0.45 CCCCCCCCC#N CNP0309769.0 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,0,0,0,0|1,0,1]=3 72 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|0,0,1]=2 75 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,0,0,0,0,0|2,0,0]=3 78 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.45 CCOCCOCCOC CNP0567615.0 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.45 CSCCCCCC=NO CNP0405939.0 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,0,0,0,0,0|1,0,1]=3 83 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,0,0,0,0,0|1,0,2]=4 84 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [1,0,0,0,0,0|0,0,2]=3 85 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [1,0,0,0,0,0|0,0,2]=3 86 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,0,0,0,0,0|1,0,0]=2 88 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [1,0,0,0,0,0|2,0,0]=3 89 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,0,0,0,0,0|0,0,0]=1 90 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,0,0,0,0,0|1,0,2]=4 92 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,0,0,0,0,0|1,0,1]=3 93 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [1,0,0,0,0,0|2,0,1]=4 97 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,1,0,0,0,0|2,0,0]=3 98 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [0,1,0,0,0,0|1,0,2]=4 99 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,1,0,0,0,0|0,0,2]=3 100 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,1,0,0,0,0|0,0,2]=3 101 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,1,0,0,0,0|0,0,2]=3 102 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,1,0,0,0,0|0,0,2]=3 103 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,1,0,0,0,0|2,0,1]=4 104 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,1,0,0,0,0|1,0,0]=2 105 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,1,0,0,0,0|0,0,0]=1 106 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [0,1,0,0,0,0|2,0,1]=4 107 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [0,1,0,0,0,0|1,0,2]=4 108 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,1,0,0,0,0|2,0,0]=3 109 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [0,1,0,0,0,0|2,0,1]=4 110 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,1,0,0,0,0|1,0,2]=4 111 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,1,0,0,0,0|0,0,1]=2 112 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,1,0,0,0,0|2,0,0]=3 113 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,1,0,0,0,0|1,0,1]=3 114 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [0,1,0,0,0,0|0,0,3]=4 115 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,1,0,0,0,0|0,0,1]=2 116 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,1,0,0,0,0|0,0,3]=4 117 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,1,0,0,0,0|0,0,3]=4 118 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,1,0,0,0,0|0,0,1]=2 119 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,1,0,0,0,0|0,0,1]=2 120 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,1,0,0,0,0|0,0,1]=2 121 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,1,0,0,0,0|0,0,1]=2 122 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,1,0,0,0,0|0,0,1]=2 123 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,1,0,0,0,0|1,0,0]=2 124 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,1,0,0,0,0|0,0,0]=1 125 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,1,0,0,0,0|1,0,2]=4 126 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [0,1,0,0,0,0|2,0,1]=4 127 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,1,0,0,0,0|1,0,0]=2 128 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,1,0,0,0,0|0,0,0]=1 129 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,1,0,0,0,0|2,0,1]=4 130 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.42 CCCCCCOC(=O)C(C)C CNP0306745.0 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,1,0,0,0,0|3,0,0]=4 134 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [0,1,0,0,0,0|0,0,1]=2 135 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [0,1,0,0,0,0|0,0,0]=1 136 B11R0.70 CCCCC(C)CCC(C)CC CNP0547533.0 [0,1,0,0,0,0|2,0,1]=4 137 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [0,1,0,0,0,0|2,0,0]=3 138 B11R0.106 CCC(C)CCCCC(C)CC CNP0584422.0 [0,1,0,0,0,0|2,0,1]=4 139 B11R0.106 COC(=O)CCCCC(=O)OC CNP0317209.0 [0,1,0,0,0,0|1,0,1]=3 140 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,1,0,0,0,0|2,0,1]=4 141 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,1,0,0,0,0|2,0,1]=4 142 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,1,0,0,0,0|2,0,1]=4 143 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,1,0,0,0,0|1,0,1]=3 144 B11R0.124 CCCCCCCC(OC)OC CNP0398698.0 [0,1,0,0,0,0|0,0,2]=3 145 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,1,0,0,0,0|0,0,0]=1 146 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,1,0,0,0,0|0,0,0]=1 147 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [0,1,0,0,0,0|1,0,2]=4 148 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,1,0,0,0,0|0,0,0]=1 149 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,1,0,0,0,0|0,0,0]=1 150 B11R0.174 CCCC(C)CCCC(C)CC CNP0076780.0 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,0,0,1,0,0|1,0,0]=2 152 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,0,0,1,0,0|1,0,0]=2 153 B11R1.25 CCC(=O)OC[C@@H]1CCCO1 CNP0217025.1 [0,0,0,1,0,0|3,0,0]=4 154 B11R1.25 COC(=O)C=CN1CCCC1 CNP0209325.0 [0,0,0,1,0,0|1,0,2]=4 155 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,0,0,1,0,0|2,0,1]=4 156 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,0,0,1,0,0|2,0,0]=3 157 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,0,0,1,0,0|2,0,0]=3 158 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,0,0,1,0,0|2,0,0]=3 159 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,0,0,1,0,0|2,0,0]=3 160 B11R1.40 CNC(C)CC1CCCCC1 CNP0071281.0 [0,0,0,1,0,0|2,0,1]=4 161 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,0,0,1,0,0|0,0,2]=3 162 B11R1.40 COC(=O)CN1CCNCC1 CNP0582393.0 [0,0,0,1,0,0|2,0,0]=3 163 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [0,0,0,1,0,0|2,0,1]=4 164 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,0,0,1,0,0|2,0,0]=3 165 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,0,0,1,0,0|2,0,1]=4 166 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|0,0,2]=3 167 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,0,0,1,0,0|1,0,2]=4 168 B11R1.212 CCCCC1=C(C(=O)CC1)O CNP0328452.0 [0,0,0,1,0,0|2,0,1]=4 169 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [0,0,0,1,0,0|1,0,0]=2 170 B8R0.4 C=CCCCCCC=O CNP0184185.0 [2,0,0,0,0,0|0,0,2]=4 171 B8R0.4 C=CCCCCCCC CNP0317850.0 [2,0,0,0,0,0|0,0,1]=3 172 B8R0.4 C=CCCCCCCO CNP0610530.0 [2,0,0,0,0,0|1,0,1]=4 173 B8R0.4 CC#CCCCCCC CNP0610539.0 [2,0,0,0,0,0|0,0,2]=4 174 B8R0.4 CC=C=CCCCCC CNP0555445.0 [2,0,0,0,0,0|0,0,2]=4 175 B8R0.4 CC=CCCCCC=O CNP0181844.0 [2,0,0,0,0,0|0,0,2]=4 176 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,1]=3 177 B8R0.4 CC=CCCCCCO CNP0534658.0 [2,0,0,0,0,0|1,0,1]=4 178 B8R0.4 CCC=CCCCC=O CNP0002614.0 [2,0,0,0,0,0|0,0,2]=4 179 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|1,0,1]=4 180 B8R0.4 CCCCC=CCC=O CNP0207183.0 [2,0,0,0,0,0|0,0,2]=4 181 B8R0.4 CCCCCC=CC=O CNP0192932.0 [2,0,0,0,0,0|0,0,2]=4 182 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,1]=3 183 B8R0.4 CCCCCCC=NO CNP0389770.0 [2,0,0,0,0,0|1,0,1]=4 184 B8R0.4 CCCCCCCC#N CNP0112630.0 [2,0,0,0,0,0|1,0,1]=4 185 B8R0.4 CCCCCCCC=O CNP0146292.0 [2,0,0,0,0,0|0,0,0]=2 186 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|0,0,1]=3 187 B8R0.4 CCCCCCCCN CNP0065900.0 [2,0,0,0,0,0|1,0,1]=4 188 B8R0.4 CCCCCCCCO CNP0368614.0 [2,0,0,0,0,0|0,0,1]=3 189 B8R0.4 CCCCCCCNC CNP0216624.0 [2,0,0,0,0,0|1,0,0]=3 190 B8R0.4 CCCCCCCOO CNP0566054.0 [2,0,0,0,0,0|1,0,0]=3 191 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [2,0,0,0,0,0|0,0,0]=2 192 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|1,0,0]=3 193 B8R0.4 CCCCCCOCC CNP0609034.0 [2,0,0,0,0,0|1,0,1]=4 194 B8R0.4 CCCCCCSSC CNP0510251.0 [2,0,0,0,0,0|1,1,0]=4 195 B8R0.4 CCCCNCCCC CNP0203128.0 [2,0,0,0,0,0|1,0,1]=4 196 B8R0.4 CCCCOCCCC CNP0077266.0 [2,0,0,0,0,0|1,0,1]=4 197 B8R0.4 CCCCOCCCO CNP0141373.0 [2,0,0,0,0,0|1,0,1]=4 198 B8R0.4 CCCCSCCCC CNP0370059.0 [2,0,0,0,0,0|1,0,1]=4 199 B8R0.4 COCCOCCOC CNP0466646.0 [2,0,0,0,0,0|2,0,0]=4 200 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [2,0,0,0,0,0|1,0,0]=3 201 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [2,0,0,0,0,0|0,0,2]=4 202 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [2,0,0,0,0,0|2,0,0]=4 203 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [2,0,0,0,0,0|0,0,2]=4 204 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [2,0,0,0,0,0|0,0,2]=4 205 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [2,0,0,0,0,0|0,0,2]=4 206 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [2,0,0,0,0,0|0,0,2]=4 207 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [2,0,0,0,0,0|0,0,2]=4 208 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [2,0,0,0,0,0|0,0,2]=4 209 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [2,0,0,0,0,0|1,0,1]=4 210 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [2,0,0,0,0,0|0,0,2]=4 211 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [2,0,0,0,0,0|0,0,0]=2 212 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [2,0,0,0,0,0|1,0,0]=3 213 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [2,0,0,0,0,0|1,0,0]=3 214 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [2,0,0,0,0,0|0,0,0]=2 215 B8R0.7 CCCCCCC(C)C CNP0161146.0 [2,0,0,0,0,0|1,0,1]=4 216 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [2,0,0,0,0,0|1,0,1]=4 217 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [2,0,0,0,0,0|0,0,2]=4 218 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [2,0,0,0,0,0|1,0,1]=4 219 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [2,0,0,0,0,0|0,0,2]=4 220 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [2,0,0,0,0,0|1,0,0]=3 221 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [2,0,0,0,0,0|1,0,1]=4 222 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [2,0,0,0,0,0|1,0,0]=3 223 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [2,0,0,0,0,0|1,0,0]=3 224 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [2,0,0,0,0,0|1,0,0]=3 225 B8R0.7 COCCCOC(=O)C CNP0076800.0 [2,0,0,0,0,0|2,0,0]=4 226 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [2,0,0,0,0,0|2,0,0]=4 227 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [2,0,0,0,0,0|1,0,0]=3 228 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [2,0,0,0,0,0|1,0,0]=3 229 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [2,0,0,0,0,0|1,0,1]=4 230 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [2,0,0,0,0,0|1,0,1]=4 231 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [2,0,0,0,0,0|1,0,1]=4 232 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [2,0,0,0,0,0|0,0,2]=4 233 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [2,0,0,0,0,0|0,0,2]=4 234 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [2,0,0,0,0,0|1,0,0]=3 235 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [2,0,0,0,0,0|0,0,0]=2 237 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [2,0,0,0,0,0|0,1,0]=3 238 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [2,0,0,0,0,0|2,0,0]=4 239 B8R0.6 COC(=O)CCCSC CNP0313998.0 [2,0,0,0,0,0|1,0,0]=3 240 B8R0.6 COCCCC(=O)OC CNP0580088.0 [2,0,0,0,0,0|1,0,0]=3 241 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [1,1,0,0,0,0|2,0,0]=4 242 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [1,1,0,0,0,0|2,0,0]=4 243 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [1,1,0,0,0,0|2,0,0]=4 244 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [1,1,0,0,0,0|2,0,0]=4 245 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [1,1,0,0,0,0|0,0,1]=3 246 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [1,1,0,0,0,0|1,0,1]=4 247 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [1,1,0,0,0,0|1,0,0]=3 248 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [1,1,0,0,0,0|0,0,0]=2 249 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [1,1,0,0,0,0|1,0,1]=4 250 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [1,1,0,0,0,0|0,0,1]=3 251 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [1,1,0,0,0,0|0,0,1]=3 252 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [1,1,0,0,0,0|0,0,1]=3 253 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,1,0,0,0,0|0,0,0]=2 254 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [1,1,0,0,0,0|1,0,1]=4 255 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [1,1,0,0,0,0|0,0,1]=3 256 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [1,1,0,0,0,0|0,0,1]=3 257 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [1,1,0,0,0,0|0,0,2]=4 258 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [1,1,0,0,0,0|0,0,2]=4 259 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,1,0,0,0,0|0,0,1]=3 260 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,1,0,0,0,0|1,0,1]=4 261 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,1,0,0,0,0|0,0,1]=3 262 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,1,0,0,0,0|0,0,2]=4 263 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,1,0,0,0,0|0,0,1]=3 264 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,1,0,0,0,0|1,0,1]=4 265 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,1,0,0,0,0|1,0,1]=4 266 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,1,0,0,0,0|0,0,1]=3 267 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,1,0,0,0,0|0,0,0]=2 268 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,1,0,0,0,0|1,0,0]=3 269 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,1,0,0,0,0|1,0,0]=3 270 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,1,0,0,0,0|0,0,0]=2 271 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,1,0,0,0,0|1,0,1]=4 272 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,1,0,0,0,0|0,0,2]=4 273 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,1,0,0,0,0|0,0,2]=4 274 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [1,1,0,0,0,0|1,0,1]=4 275 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [1,1,0,0,0,0|1,0,1]=4 276 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,1,0,0,0,0|0,0,0]=2 277 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [1,1,0,0,0,0|1,0,0]=3 278 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [1,1,0,0,0,0|1,0,1]=4 279 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,1,0,0,0,0|0,0,0]=2 280 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [1,1,0,0,0,0|1,0,0]=3 281 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [1,1,0,0,0,0|1,0,0]=3 282 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,1,0,0,0,0|0,0,0]=2 283 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,1,0,0,0,0|0,0,0]=2 284 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [1,1,0,0,0,0|0,0,1]=3 285 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [1,1,0,0,0,0|0,0,0]=2 286 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [1,1,0,0,0,0|0,0,0]=2 287 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [1,1,0,0,0,0|1,0,0]=3 288 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [1,1,0,0,0,0|0,0,0]=2 289 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [1,1,0,0,0,0|1,0,1]=4 290 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [1,1,0,0,0,0|1,0,0]=3 291 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [1,1,0,0,0,0|2,0,0]=4 292 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [1,1,0,0,0,0|2,0,0]=4 293 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [1,1,0,0,0,0|0,0,2]=4 294 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [1,1,0,0,0,0|0,0,2]=4 295 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [1,1,0,0,0,0|0,0,0]=2 296 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [1,1,0,0,0,0|1,0,1]=4 297 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [1,1,0,0,0,0|1,0,1]=4 298 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [1,1,0,0,0,0|0,0,1]=3 299 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [1,1,0,0,0,0|0,0,0]=2 300 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [1,1,0,0,0,0|0,0,0]=2 301 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [1,1,0,0,0,0|0,0,0]=2 302 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [1,1,0,0,0,0|0,0,0]=2 303 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [1,1,0,0,0,0|0,0,0]=2 304 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [1,1,0,0,0,0|1,0,0]=3 305 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [1,1,0,0,0,0|2,0,0]=4 306 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [1,1,0,0,0,0|1,0,0]=3 307 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [1,1,0,0,0,0|1,0,1]=4 308 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [1,1,0,0,0,0|1,0,0]=3 309 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [1,1,0,0,0,0|1,0,0]=3 310 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [1,1,0,0,0,0|2,0,0]=4 311 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [1,1,0,0,0,0|2,0,0]=4 312 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [1,1,0,0,0,0|1,0,1]=4 313 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [1,1,0,0,0,0|1,0,1]=4 314 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [1,1,0,0,0,0|0,0,0]=2 315 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [1,1,0,0,0,0|1,0,1]=4 316 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [1,1,0,0,0,0|1,0,1]=4 317 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [1,1,0,0,0,0|0,0,0]=2 318 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [1,1,0,0,0,0|1,0,1]=4 319 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [1,1,0,0,0,0|1,0,1]=4 320 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [1,1,0,0,0,0|0,0,0]=2 321 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [1,1,0,0,0,0|0,0,2]=4 322 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [1,1,0,0,0,0|0,0,2]=4 323 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [1,1,0,0,0,0|0,0,0]=2 324 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [1,1,0,0,0,0|1,0,1]=4 325 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [1,1,0,0,0,0|1,0,1]=4 326 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [1,1,0,0,0,0|1,0,1]=4 327 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,1,0,0,0,0|1,0,0]=3 328 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [1,1,0,0,0,0|1,0,1]=4 329 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,1,0,0,0,0|1,0,0]=3 330 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,1,0,0,0,0|1,0,1]=4 331 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,1,0,0,0,0|1,0,1]=4 333 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [1,1,0,0,0,0|1,0,1]=4 334 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,1,0,0,0,0|1,0,0]=3 336 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,1,0,0,0,0|2,0,0]=4 337 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,1,0,0,0,0|1,0,1]=4 338 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,1,0,0,0,0|1,0,1]=4 339 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,1,0,0,0,0|1,0,1]=4 340 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,1,0,0,0,0|1,0,1]=4 341 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,1,0,0,0,0|1,0,1]=4 342 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,1,0,0,0,0|1,0,1]=4 343 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,1,0,0,0,0|0,0,1]=3 344 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,1,0,0,0,0|0,0,2]=4 345 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,1,0,0,0,0|0,0,1]=3 346 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,1,0,0,0,0|1,0,1]=4 347 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,1,0,0,0,0|0,1,1]=4 349 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,1,0,0,0,0|1,0,1]=4 350 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [1,1,0,0,0,0|1,0,1]=4 351 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [1,1,0,0,0,0|1,0,1]=4 352 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [1,1,0,0,0,0|0,0,1]=3 353 B10R0.41 CCCCCCC(=NO)CC CNP0390787.0 [1,1,0,0,0,0|1,0,1]=4 354 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [1,1,0,0,0,0|0,0,2]=4 355 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [1,1,0,0,0,0|1,0,1]=4 356 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [1,1,0,0,0,0|1,0,0]=3 357 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [1,1,0,0,0,0|1,0,0]=3 358 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [1,1,0,0,0,0|1,0,1]=4 359 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,2,0,0,0,0|1,0,0]=3 360 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,2,0,0,0,0|0,0,1]=3 361 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [0,2,0,0,0,0|0,0,1]=3 362 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,2,0,0,0,0|0,0,1]=3 363 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [0,2,0,0,0,0|0,0,0]=2 364 B12R0.1 CCCCCCCOC(=O)CCC CNP0077240.0 [0,2,0,0,0,0|1,0,0]=3 365 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,2,0,0,0,0|1,0,1]=4 366 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,2,0,0,0,0|0,0,0]=2 367 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,2,0,0,0,0|1,0,1]=4 368 B12R0.4 CCCCCCOC(=O)CC(C)C CNP0187690.0 [0,2,0,0,0,0|2,0,0]=4 369 B12R0.4 CCCCCCOC(=O)CC(C)S CNP0003261.0 [0,2,0,0,0,0|2,0,0]=4 370 B12R0.49 CC=C(C)C(=O)OCCCCCC CNP0081467.0 [0,2,0,0,0,0|2,0,0]=4 371 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [0,2,0,0,0,0|0,0,0]=2 372 B12R0.49 CCCCCCOC(=O)[C@@H](C)CC CNP0268240.2 [0,2,0,0,0,0|2,0,0]=4 373 B12R0.49 CCCCCCOC(=O)[C@H](C)CC CNP0268240.1 [0,2,0,0,0,0|2,0,0]=4 374 B12R0.101 CCCCC(C)COC(=O)CCC CNP0076629.0 [0,2,0,0,0,0|2,0,0]=4 375 B12R0.101 CCCC[C@@H](C)CCC(=O)OCC CNP0177367.1 [0,2,0,0,0,0|0,0,0]=2 376 B12R0.114 CC/C=C\CC[C@@H](O)C(=O)OCC CNP0218983.1 [0,2,0,0,0,0|0,0,2]=4 377 B12R0.114 CCCCCC[C@@H](O)C(=O)OCC CNP0292543.1 [0,2,0,0,0,0|0,0,0]=2 378 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,2,0,0,0,0|0,0,0]=2 379 B12R0.206 CCCCCCCC(=O)CCCC CNP0528685.0 [0,2,0,0,0,0|1,0,0]=3 380 B12R0.206 CCCCCCCC(=O)OCCC CNP0248076.0 [0,2,0,0,0,0|0,0,0]=2 381 B12R0.206 CCCCCCOC(=O)CCCC CNP0076877.0 [0,2,0,0,0,0|2,0,0]=4 382 B12R0.239 CCC=CCC(O)CC(=O)OCC CNP0305123.0 [0,2,0,0,0,0|0,0,2]=4 383 B12R0.239 CCCCCC(C)OC(=O)CCC CNP0481243.0 [0,2,0,0,0,0|2,0,0]=4 384 B12R0.239 CCCCC[C@@H](O)CC(=O)OCC CNP0379134.1 [0,2,0,0,0,0|0,0,0]=2 385 B12R0.239 CCCCOC(=O)CC(=O)OCC CNP0203043.0 [0,2,0,0,0,0|1,0,1]=4 386 B12R0.276 CCOC(=O)CCCC[C@@H](C)CC CNP0170449.1 [0,2,0,0,0,0|0,0,0]=2 387 B12R0.277 CCOC(=O)/C=C/CCC[C@H](C)O CNP0117476.1 [0,2,0,0,0,0|0,0,2]=4 388 B12R0.285 CCCC(=O)OCC[C@@H](S)CCC CNP0002774.1 [0,2,0,0,0,0|2,0,0]=4 389 B12R0.285 CCOC(=O)CCCC(=O)OCC CNP0480241.0 [0,2,0,0,0,0|1,0,1]=4 390 B12R0.57 CCCCCCCCC(OC)OC CNP0339378.0 [0,2,0,0,0,0|0,0,2]=4 391 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC CNP0110177.2 [0,2,0,0,0,0|0,0,0]=2 392 B12R0.113 CCCCCC[C@H](O)CC(=O)OC CNP0110177.1 [0,2,0,0,0,0|0,0,0]=2 393 B12R0.142 CCCCCC(=O)CCC(=O)CO CNP0102753.0 [0,2,0,0,0,0|2,0,0]=4 394 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [0,2,0,0,0,0|0,0,0]=2 395 B12R0.142 CCCCCC(C)COC(=O)CC CNP0293921.0 [0,2,0,0,0,0|1,0,0]=3 396 B12R0.142 CCCCOC(=O)CCC(=O)OC CNP0325407.0 [0,2,0,0,0,0|0,0,1]=3 397 B12R0.183 COC(=O)CCCCCC(=O)OC CNP0193203.0 [0,2,0,0,0,0|0,0,1]=3 398 B12R0.184 C=CC(=O)OCCCCCC(C)C CNP0578427.0 [0,2,0,0,0,0|1,0,1]=4 399 B12R0.184 COC(=O)CCCCCCC(=O)O CNP0275563.0 [0,2,0,0,0,0|0,0,1]=3 400 B12R0.184 COC(=O)CCCCCCC(C)C CNP0053571.0 [0,2,0,0,0,0|0,0,0]=2 401 B12R0.184 COC(=O)CCCCCC[C@@H](C)O CNP0200547.1 [0,2,0,0,0,0|0,0,0]=2 402 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,2,0,0,0,0|0,0,0]=2 403 B12R0.248 C#CCCCCCCC[C@@H](C)OC CNP0247921.1 [0,2,0,0,0,0|1,0,1]=4 404 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,2,0,0,0,0|1,0,1]=4 405 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,2,0,0,0,0|1,0,1]=4 406 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,2,0,0,0,0|1,0,1]=4 407 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,2,0,0,0,0|0,0,0]=2 408 B12R0.248 CC=CCCC=CCCC(=O)OC CNP0178350.0 [0,2,0,0,0,0|0,0,2]=4 409 B12R0.248 CCC=CCCCCOC(=O)CC CNP0209959.0 [0,2,0,0,0,0|1,0,1]=4 410 B12R0.248 CCCC#CC#CCCC(=O)OC CNP0131971.0 [0,2,0,0,0,0|0,0,2]=4 411 B12R0.248 CCCCC=CCCOC(=O)CC CNP0105555.0 [0,2,0,0,0,0|1,0,1]=4 412 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,2,0,0,0,0|0,0,2]=4 413 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,2,0,0,0,0|0,0,0]=2 414 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,2,0,0,0,0|0,0,0]=2 415 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,2,0,0,0,0|1,0,0]=3 416 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,2,0,0,0,0|0,0,0]=2 417 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,2,0,0,0,0|1,0,0]=3 418 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,2,0,0,0,0|0,0,0]=2 419 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,2,0,0,0,0|0,0,0]=2 420 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,2,0,0,0,0|1,0,0]=3 421 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,2,0,0,0,0|2,0,0]=4 422 B12R0.251 CCCCCCCOC(=O)C(C)C CNP0272974.0 [0,2,0,0,0,0|1,0,0]=3 423 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,2,0,0,0,0|2,0,0]=4 424 B12R0.42 CC(O)CCCCOC(=O)C(C)O CNP0133875.0 [0,2,0,0,0,0|2,0,0]=4 425 B12R0.42 C[C@H](O)CCCCOC(=O)[C@H](C)O CNP0133875.1 [0,2,0,0,0,0|2,0,0]=4 426 B12R0.46 CCCCCC[C@H](Br)C(=O)C(Br)Br CNP0017734.1 [0,2,0,0,0,0|2,0,0]=4 427 B12R0.186 CCC(C)CCCOC(=O)C(C)C CNP0586930.0 [0,2,0,0,0,0|2,0,0]=4 428 B12R0.186 COC(=O)CCCC[C@H](N)C(=O)O CNP0276480.1 [0,2,0,0,0,0|1,0,1]=4 429 B12R0.252 C=C(COCC)[C@H](O)CC(=O)OC CNP0376824.1 [0,2,0,0,0,0|1,0,1]=4 430 B12R0.156 CCC(C)CCCC(C)C(=O)OC CNP0310637.0 [0,2,0,0,0,0|0,0,0]=2 431 B12R0.86 COC(=O)[C@H](C)CCCC=C(C)C CNP0284654.1 [0,2,0,0,0,0|0,0,2]=4 432 B12R0.240 COC(=O)C[C@@H](C)CCC=C(C)C CNP0144792.1 [0,2,0,0,0,0|0,0,2]=4 433 B12R0.240 COC(=O)C[C@H](C)CCC=C(C)C CNP0144792.2 [0,2,0,0,0,0|0,0,2]=4 434 B12R0.241 COC(=O)/C=C/C[C@H](O)C[C@@H](C)O CNP0149068.1 [0,2,0,0,0,0|0,0,2]=4 435 B12R0.241 COC(=O)/C=C\C[C@@H](O)C[C@H](C)O CNP0149068.2 [0,2,0,0,0,0|0,0,2]=4 436 B12R0.241 COC(=O)CCCC(C)OC(=O)C CNP0056250.0 [0,2,0,0,0,0|1,0,1]=4 437 B12R0.241 COC(=O)CCC[C@H](O)C[C@H](C)O CNP0113421.1 [0,2,0,0,0,0|0,0,0]=2 438 B12R0.68 CCCC(O)CC(=O)CC(=O)OC CNP0335035.0 [0,2,0,0,0,0|0,0,1]=3 439 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,1,0,0|0,0,0]=2 440 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [1,0,0,1,0,0|0,0,2]=4 441 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [1,0,0,1,0,0|1,0,1]=4 442 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [1,0,0,1,0,0|1,0,1]=4 443 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [1,0,0,1,0,0|0,0,2]=4 444 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [1,0,0,1,0,0|1,0,1]=4 445 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [1,0,0,1,0,0|1,0,1]=4 446 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [1,0,0,1,0,0|0,0,2]=4 447 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [1,0,0,1,0,0|1,0,0]=3 448 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [1,0,0,1,0,0|0,0,0]=2 449 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [1,0,0,1,0,0|0,0,0]=2 450 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [1,0,0,1,0,0|1,0,1]=4 451 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [1,0,0,1,0,0|2,0,0]=4 452 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [1,0,0,1,0,0|1,0,0]=3 453 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [1,0,0,1,0,0|1,0,0]=3 454 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [1,0,0,1,0,0|1,0,0]=3 455 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [1,0,0,1,0,0|1,0,1]=4 456 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [1,0,0,1,0,0|2,0,0]=4 457 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [1,0,0,1,0,0|2,0,0]=4 458 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [1,0,0,1,0,0|0,0,0]=2 459 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [1,0,0,1,0,0|1,0,0]=3 460 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [1,0,0,1,0,0|1,0,0]=3 461 B10R1.39 CC(=O)C1CCCC1C#N CNP0001282.0 [1,0,0,1,0,0|1,0,1]=4 462 B10R1.39 CC(=O)[C@H]1COC[C@@H]1CO CNP0311924.1 [1,0,0,1,0,0|2,0,0]=4 463 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [1,0,0,1,0,0|1,0,0]=3 464 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [1,0,0,1,0,0|1,0,0]=3 465 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [1,0,0,1,0,0|2,0,0]=4 466 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [1,0,0,1,0,0|2,0,0]=4 467 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [1,0,0,1,0,0|1,0,0]=3 468 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [1,0,0,1,0,0|1,0,0]=3 469 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [1,0,0,1,0,0|1,0,0]=3 470 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [1,0,0,1,0,0|2,0,0]=4 471 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [1,0,0,1,0,0|2,0,0]=4 472 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [1,0,0,1,0,0|1,0,0]=3 473 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [1,0,0,1,0,0|0,0,2]=4 474 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [1,0,0,1,0,0|0,0,0]=2 475 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [1,0,0,1,0,0|1,0,0]=3 476 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [1,0,0,1,0,0|1,0,0]=3 477 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [1,0,0,1,0,0|0,0,0]=2 478 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [1,0,0,1,0,0|1,0,0]=3 479 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [1,0,0,1,0,0|1,0,0]=3 480 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,0,0,1,0,0|1,0,1]=4 481 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [1,0,0,1,0,0|1,0,1]=4 482 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [1,0,0,1,0,0|1,0,1]=4 483 B10R1.4 COCC1CCCC[C@@H]1N CNP0344437.1 [1,0,0,1,0,0|1,0,1]=4 484 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,0,0,1,0,0|1,0,1]=4 485 B10R1.20 COC1CCCCC1OC CNP0612215.0 [1,0,0,1,0,0|1,0,1]=4 486 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [1,0,0,1,0,0|1,0,1]=4 487 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|1,0,0]=3 488 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [1,0,0,1,0,0|1,0,1]=4 489 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [1,0,0,1,0,0|2,0,0]=4 490 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [1,0,0,1,0,0|1,0,0]=3 491 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [1,0,0,1,0,0|0,0,2]=4 492 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [1,0,0,1,0,0|0,0,0]=2 493 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [1,0,0,1,0,0|1,0,0]=3 494 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [1,0,0,1,0,0|2,0,0]=4 495 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [1,0,0,1,0,0|1,0,0]=3 496 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [1,0,0,1,0,0|2,0,0]=4 497 B10R1.149 COC(=O)[C@@H]1CCCN1N CNP0562271.1 [1,0,0,1,0,0|2,0,0]=4 498 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [1,0,0,1,0,0|2,0,0]=4 499 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,1,0,1,0,0|1,0,0]=3 500 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,1,0,0|1,0,0]=3 501 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,1,0,0|2,0,0]=4 502 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,1,0,1,0,0|2,0,0]=4 503 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,1,0,0|1,0,0]=3 504 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,1,0,1,0,0|2,0,0]=4 505 B12R1.32 CCCC(=O)C[C@H]1CCCCN1 CNP0276525.1 [0,1,0,1,0,0|2,0,0]=4 506 B12R1.32 CCCC(=O)OC1CCCCC1 CNP0321594.0 [0,1,0,1,0,0|2,0,0]=4 507 B12R1.32 CCOC(=O)CC1CCCCC1 CNP0076528.0 [0,1,0,1,0,0|0,0,0]=2 508 B12R1.32 CCOC(=O)CN1CCNCC1 CNP0516329.0 [0,1,0,1,0,0|2,0,0]=4 509 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [0,1,0,1,0,0|1,0,1]=4 510 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [0,1,0,1,0,0|0,0,2]=4 511 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|0,0,0]=2 512 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [0,1,0,1,0,0|0,0,2]=4 513 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|0,0,0]=2 514 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,1]=3 515 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@@H]1O CNP0268314.3 [0,1,0,1,0,0|2,0,0]=4 516 B12R1.456 CCCCC[C@@H]1OC(=O)C[C@H]1O CNP0268314.4 [0,1,0,1,0,0|2,0,0]=4 517 B12R1.456 CCCCC[C@H]1OC(=O)C[C@@H]1O CNP0268314.2 [0,1,0,1,0,0|2,0,0]=4 518 B12R1.456 CCCCC[C@H]1OC(=O)C[C@H]1O CNP0268314.1 [0,1,0,1,0,0|2,0,0]=4 519 B12R1.1564 CCSC(=O)N1CCCCCC1 CNP0035361.0 [0,1,0,1,0,0|1,1,0]=4 520 B12R1.1 CCCCCC1COC(=O)CO1 CNP0556018.0 [0,1,0,1,0,0|0,0,0]=2 521 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,1,0,1,0,0|1,0,0]=3 522 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,1,0,1,0,0|1,0,0]=3 523 B12R1.371 CCC(=O)C[C@H]1CCCCN1C CNP0321034.1 [0,1,0,1,0,0|1,0,0]=3 524 B12R1.455 CCCCC[C@H]1CCC(=N1)CC CNP0189691.1 [0,1,0,1,0,0|2,0,0]=4 525 B12R1.527 CCCCCC1=C(C(=O)CC1)O CNP0260422.0 [0,1,0,1,0,0|2,0,0]=4 526 B12R1.43 C=C(C)C(=O)OC1CCCCC1 CNP0086107.0 [0,1,0,1,0,0|2,0,0]=4 527 B12R1.105 CC(=CCC[C@@H]1COC(=O)C1)C CNP0119505.1 [0,1,0,1,0,0|0,0,2]=4 528 B12R1.105 CC(C)CCCC1=CC(=O)OC1 CNP0313975.0 [0,1,0,1,0,0|0,0,2]=4 529 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)C CNP0233643.1 [0,1,0,1,0,0|0,0,1]=3 530 B12R1.532 COC(=O)C[C@@H]1OC(=O)C[C@@H]1C CNP0441321.1 [0,1,0,1,0,0|1,0,1]=4 531 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|1,0,1]=4 532 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,2,0,0|0,0,0]=2 533 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,2,0,0|2,0,0]=4 534 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,2,0,0|2,0,0]=4 535 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,2,0,0|0,0,0]=2 536 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,2,0,0|0,0,0]=2 537 B12R2.2918 O=C1CCC2(C1)CCCCC2 CNP0541943.0 [0,0,0,2,0,0|1,0,0]=3 538 B12R2.229 O=C1CCCC[C@H]2[C@@H]1CCC2 CNP0201109.1 [0,0,0,2,0,0|1,0,0]=3