0 B11R0.3 C#CCCC#CCCCCC=C CNP0059842.0 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.3 C=CCCCC=CCCC=CC CNP0584419.0 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.3 C=CCCCCC=CC=CC=O CNP0137973.0 [0,0,0,0,0,0|0,0,4]=4 6 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.3 C=CCCCCCCCCC=C CNP0256056.0 [0,0,0,0,0,0|1,0,0]=1 8 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [0,0,0,0,0,0|0,0,0]=0 9 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [0,0,0,0,0,0|1,0,1]=2 10 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [0,0,0,0,0,0|1,0,1]=2 11 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [0,0,0,0,0,0|0,0,2]=2 12 B11R0.3 CC=CCCCCCCC=CC CNP0508194.0 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [0,0,0,0,0,0|0,0,2]=2 14 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [0,0,0,0,0,0|1,0,3]=4 15 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [0,0,0,0,0,0|0,0,4]=4 16 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,0,0,0,0,0|0,0,4]=4 17 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,0,0,0,0,0|0,0,4]=4 18 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [0,0,0,0,0,0|1,0,3]=4 19 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [0,0,0,0,0,0|0,0,2]=2 20 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [0,0,0,0,0,0|1,0,3]=4 21 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [0,0,0,0,0,0|0,0,4]=4 22 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.3 CCCCCCCCCCON CNP0565549.0 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.3 CSCCCCCCCCC#N CNP0286392.0 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [0,0,0,0,0,0|1,0,0]=1 26 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [0,0,0,0,0,0|1,0,3]=4 27 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [0,0,0,0,0,0|1,0,3]=4 28 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,0,0,0,0,0|0,0,3]=4 29 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,0,0,0,0,0|0,0,3]=4 30 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,0,0,0,0,0|0,0,3]=4 31 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [1,0,0,0,0,0|0,0,2]=3 32 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [1,0,0,0,0,0|0,0,1]=2 33 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [1,0,0,0,0,0|0,0,0]=1 34 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|0,0,1]=2 35 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [1,0,0,0,0,0|0,0,1]=2 36 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|0,0,3]=4 37 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [1,0,0,0,0,0|0,0,3]=4 38 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [1,0,0,0,0,0|0,0,3]=4 39 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,0,0,0,0,0|0,0,3]=4 40 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,0,0,0,0,0|0,0,3]=4 41 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|0,0,1]=2 42 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,0,0,0,0,0|0,0,3]=4 43 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|0,0,3]=4 46 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,0,0,0,0,0|0,1,2]=4 47 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,0,0,0,0,0|0,0,3]=4 48 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,0,0,0,0|1,0,1]=3 50 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,0,0,0,0,0|1,0,2]=4 52 B10R0.71 SCCCCCCCCCS CNP0323084.0 [1,0,0,0,0,0|1,1,1]=4 53 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,0,0,0,0,0|1,0,2]=4 54 B12R0.1 CCCCCCCCC(C)OC=O CNP0539343.0 [0,1,0,0,0,0|1,0,2]=4 55 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [0,1,0,0,0,0|1,0,2]=4 56 B12R0.5 C=CC=CCCCCCCCCO CNP0306719.0 [0,1,0,0,0,0|0,0,3]=4 57 B12R0.5 C=CCCC=CCCCCCCC CNP0172346.0 [0,1,0,0,0,0|1,0,2]=4 58 B12R0.5 C=CCCCC=CCCCCCC CNP0076850.0 [0,1,0,0,0,0|1,0,2]=4 59 B12R0.5 C=CCCCCCC=CC=CC=O CNP0223164.0 [0,1,0,0,0,0|0,0,3]=4 60 B12R0.5 C=CCCCCCCCCC=CC CNP0054973.0 [0,1,0,0,0,0|1,0,0]=2 61 B12R0.5 C=CCCCCCCCCCC=C CNP0610541.0 [0,1,0,0,0,0|1,0,0]=2 62 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [0,1,0,0,0,0|1,0,1]=3 63 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [0,1,0,0,0,0|0,0,2]=3 64 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [0,1,0,0,0,0|1,0,1]=3 65 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [0,1,0,0,0,0|0,0,2]=3 66 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [0,1,0,0,0,0|0,0,2]=3 67 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [0,1,0,0,0,0|0,0,3]=4 68 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [0,1,0,0,0,0|0,0,3]=4 69 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [0,1,0,0,0,0|0,0,3]=4 70 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [0,1,0,0,0,0|0,0,3]=4 71 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [0,1,0,0,0,0|1,0,1]=3 72 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [0,1,0,0,0,0|0,0,2]=3 73 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [0,1,0,0,0,0|0,0,2]=3 74 B12R0.5 CSCCCCCCCCC=NO CNP0085412.0 [0,1,0,0,0,0|1,0,2]=4 75 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,1,0,0,0,0|0,0,2]=3 76 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,1,0,0,0,0|0,0,0]=1 77 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [0,1,0,0,0,0|0,0,0]=1 78 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [0,1,0,0,0,0|0,0,0]=1 79 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [0,1,0,0,0,0|1,0,0]=2 80 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,1,0,0,0,0|0,0,3]=4 81 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,1,0,0,0,0|0,0,2]=3 82 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,1,0,0,0,0|0,0,2]=3 83 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,1,0,0,0,0|1,0,2]=4 84 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,1,0,0,0,0|1,0,1]=3 85 B12R0.234 O=CC=CCCCCCCC(=O)O CNP0212604.0 [0,1,0,0,0,0|1,0,2]=4 86 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,0,0,0,0|1,0,2]=4 87 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,1,0,0,0,0|1,0,1]=3 88 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,1,0,0,0,0|2,0,1]=4 89 B12R0.248 C=CCCCCCCCC(C)C=O CNP0082078.0 [0,1,0,0,0,0|0,0,0]=1 90 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [0,1,0,0,0,0|0,0,2]=3 91 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [0,1,0,0,0,0|0,0,2]=3 92 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|1,0,0]=2 94 B12R1.267 CCCCCC1CCCOC1=O CNP0206110.0 [0,0,0,1,0,0|1,0,2]=4 95 B12R1.267 O=C1CCCCN1CCCCBr CNP0215527.0 [0,0,0,1,0,0|2,0,1]=4 96 B12R1.550 C1=CCCCCCCCCCC1 CNP0182865.0 [0,0,0,1,0,0|1,0,1]=3 97 B9R0.45 C#CCCCCCCCC CNP0272182.0 [2,0,0,0,0,0|0,0,2]=4 98 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [2,0,0,0,0,0|0,0,2]=4 99 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [2,0,0,0,0,0|0,0,2]=4 100 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [2,0,0,0,0,0|0,0,1]=3 101 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,0]=2 102 B9R0.45 C=CCCCCCCCO CNP0326407.0 [2,0,0,0,0,0|0,0,1]=3 103 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [2,0,0,0,0,0|0,0,2]=4 104 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [2,0,0,0,0,0|0,0,2]=4 105 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [2,0,0,0,0,0|0,0,2]=4 106 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [2,0,0,0,0,0|0,0,2]=4 107 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [2,0,0,0,0,0|0,0,2]=4 108 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,2]=4 109 B9R0.45 CCCCCCCCC#N CNP0309769.0 [2,0,0,0,0,0|1,0,1]=4 110 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,0]=2 111 B9R0.45 CCCCCCCCCC CNP0279708.0 [2,0,0,0,0,0|0,0,2]=4 112 B9R0.45 CCCCCCCCCI CNP0565198.0 [2,0,0,0,0,0|1,0,1]=4 113 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|0,0,2]=4 114 B9R0.45 CCCCCCCCOC CNP0305574.0 [2,0,0,0,0,0|1,0,1]=4 115 B9R0.45 CCCCCCCNC=O CNP0503918.0 [2,0,0,0,0,0|1,0,0]=3 116 B9R0.45 CCCCCCCOC=O CNP0272781.0 [2,0,0,0,0,0|1,0,0]=3 117 B9R0.45 NCCCCCCCCN CNP0462737.0 [2,0,0,0,0,0|2,0,0]=4 118 B9R0.45 NCCCNCCCC=O CNP0100864.0 [2,0,0,0,0,0|2,0,0]=4 119 B9R0.45 OCCCCCCCCO CNP0076363.0 [2,0,0,0,0,0|1,0,1]=4 120 B9R0.45 SCCCCCCCCS CNP0058300.0 [2,0,0,0,0,0|1,1,0]=4 121 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [1,1,0,0,0,0|0,0,1]=3 122 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [1,1,0,0,0,0|0,0,2]=4 123 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [1,1,0,0,0,0|0,0,1]=3 124 B11R0.81 C=CCCCCC(C)CCCC CNP0518967.0 [1,1,0,0,0,0|0,0,1]=3 125 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [1,1,0,0,0,0|0,0,2]=4 126 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [1,1,0,0,0,0|0,0,2]=4 127 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [1,1,0,0,0,0|0,0,0]=2 128 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [1,1,0,0,0,0|0,0,0]=2 129 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [1,1,0,0,0,0|0,0,1]=3 130 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [1,1,0,0,0,0|0,0,1]=3 131 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [1,1,0,0,0,0|0,0,2]=4 132 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [1,1,0,0,0,0|0,0,1]=3 133 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [1,1,0,0,0,0|0,0,1]=3 134 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [1,1,0,0,0,0|0,0,1]=3 135 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [1,1,0,0,0,0|0,0,1]=3 136 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [1,1,0,0,0,0|0,0,1]=3 137 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [1,1,0,0,0,0|0,0,1]=3 138 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [1,1,0,0,0,0|0,0,1]=3 139 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [1,1,0,0,0,0|0,0,1]=3 140 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [1,1,0,0,0,0|0,0,1]=3 141 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [1,1,0,0,0,0|0,0,1]=3 142 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [1,1,0,0,0,0|1,0,1]=4 143 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [1,1,0,0,0,0|1,0,1]=4 144 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [1,1,0,0,0,0|1,0,1]=4 145 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [1,1,0,0,0,0|1,0,1]=4 146 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [1,1,0,0,0,0|1,0,0]=3 147 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [1,1,0,0,0,0|1,0,0]=3 148 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [0,2,0,0,0,0|0,0,2]=4 149 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [0,2,0,0,0,0|0,0,2]=4 150 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [0,2,0,0,0,0|1,0,1]=4 151 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [0,2,0,0,0,0|1,0,1]=4 152 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [0,2,0,0,0,0|1,0,1]=4 153 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [0,2,0,0,0,0|0,0,0]=2 154 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,2,0,0,0,0|0,0,0]=2 155 B13R0.54 C=CCCCCCCCCC[N+](=O)[O-] CNP0523430.0 [0,2,0,0,0,0|0,0,1]=3 156 B13R0.54 C=CCCCCCCCCOC(=O)C CNP0555861.0 [0,2,0,0,0,0|0,0,0]=2 157 B13R0.54 CC(=O)OCCCCCCCCC=O CNP0547492.0 [0,2,0,0,0,0|0,0,1]=3 158 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,2,0,0,0,0|0,0,2]=4 159 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,2,0,0,0,0|0,0,2]=4 160 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [0,2,0,0,0,0|0,0,2]=4 161 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,2,0,0,0,0|0,0,2]=4 162 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [0,2,0,0,0,0|0,0,2]=4 163 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [0,2,0,0,0,0|0,0,2]=4 164 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [0,2,0,0,0,0|0,0,2]=4 165 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [0,2,0,0,0,0|0,0,2]=4 166 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [0,2,0,0,0,0|0,0,2]=4 167 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,2,0,0,0,0|0,0,2]=4 168 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [0,2,0,0,0,0|0,0,2]=4 169 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,2,0,0,0,0|0,0,2]=4 170 B13R0.54 O=C(O)CCCCCCCC=CCO CNP0273167.0 [0,2,0,0,0,0|0,0,2]=4 171 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,2,0,0,0,0|0,0,2]=4 172 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,2,0,0,0,0|0,0,2]=4 173 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,2,0,0,0,0|0,0,1]=3 174 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [0,2,0,0,0,0|1,0,1]=4 175 B13R0.147 C#CCCCCCCCCC(=O)OC CNP0522205.0 [0,2,0,0,0,0|0,0,2]=4 176 B13R0.147 C=CCCCCCCCC=C(Cl)CO CNP0160908.0 [0,2,0,0,0,0|0,0,2]=4 177 B13R0.147 C=CCCCCCCCCC(=O)NO CNP0361306.0 [0,2,0,0,0,0|0,0,0]=2 178 B13R0.147 C=CCCCCCCCCC(=O)OC CNP0148219.0 [0,2,0,0,0,0|0,0,0]=2 179 B13R0.147 CC=CCCCCCCCC(=O)OC CNP0092960.0 [0,2,0,0,0,0|0,0,2]=4 180 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [0,2,0,0,0,0|0,0,2]=4 181 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,2]=4 182 B13R0.165 C=CCCCC[C@H](C)CCCCCC CNP0424627.1 [0,2,0,0,0,0|1,0,1]=4 183 B13R0.336 C=CCCCCCCC=CCCCC CNP0527141.0 [0,2,0,0,0,0|1,0,1]=4 184 B13R0.336 C=CCCCCCCCCCCC=C CNP0252871.0 [0,2,0,0,0,0|1,0,0]=3 185 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [0,2,0,0,0,0|1,0,1]=4 186 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [0,2,0,0,0,0|1,0,1]=4 187 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [0,2,0,0,0,0|1,0,1]=4 188 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [0,2,0,0,0,0|0,0,2]=4 189 B13R0.336 CCC=CCCCCCCCCCC CNP0003426.0 [0,2,0,0,0,0|1,0,1]=4 190 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [0,2,0,0,0,0|0,0,2]=4 191 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [0,2,0,0,0,0|0,0,2]=4 192 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [0,2,0,0,0,0|0,0,2]=4 193 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [0,2,0,0,0,0|1,0,1]=4 194 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [0,2,0,0,0,0|1,0,1]=4 195 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [0,2,0,0,0,0|0,0,2]=4 196 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [0,2,0,0,0,0|0,0,2]=4 197 B13R0.336 O=CCCNCCCCNCCC=O CNP0281046.0 [0,2,0,0,0,0|1,0,0]=3 198 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,2,0,0,0,0|0,0,2]=4 199 B13R0.150 C=CCCCCCCC[C@@H](O)[C@H](C)N CNP0160202.1 [0,2,0,0,0,0|1,0,1]=4 200 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [0,2,0,0,0,0|0,0,2]=4 201 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,2,0,0,0,0|0,0,2]=4 202 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,2,0,0,0,0|0,0,2]=4 203 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,2,0,0,0,0|1,0,1]=4 204 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [0,2,0,0,0,0|0,0,2]=4 205 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,2,0,0,0,0|0,0,2]=4 206 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,2,0,0,0,0|0,0,2]=4 207 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,2,0,0,0,0|0,0,2]=4 208 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)N CNP0508234.0 [0,2,0,0,0,0|1,0,1]=4 209 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,2,0,0,0,0|1,0,1]=4 210 B13R0.179 O=C(O)CCCCCCCCC(=O)O CNP0311812.0 [0,2,0,0,0,0|1,0,0]=3 211 B13R0.202 C=C[C@@H](O)CCCCCCCC(=O)O CNP0388665.1 [0,2,0,0,0,0|0,0,0]=2 212 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,2,0,0,0,0|0,0,2]=4 213 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,2,0,0,0,0|0,0,2]=4 214 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [1,0,0,1,0,0|0,0,2]=4 215 B11R1.17 N#CCC[C@@H]1CCCCC1=O CNP0389654.1 [1,0,0,1,0,0|1,0,1]=4 216 B11R1.17 N#CCC[C@H]1CCCCC1=O CNP0389654.2 [1,0,0,1,0,0|1,0,1]=4 217 B11R1.28 C=CCCCC1=NCCCC1 CNP0217788.0 [1,0,0,1,0,0|1,0,1]=4 218 B11R1.28 C=CCCCC1SCCCS1 CNP0342525.0 [1,0,0,1,0,0|1,1,0]=4 219 B11R1.28 O=CCCCC1CCNCC1 CNP0601651.0 [1,0,0,1,0,0|1,0,1]=4 220 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [1,0,0,1,0,0|1,0,0]=3 221 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [1,0,0,1,0,0|1,0,1]=4 222 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [1,0,0,1,0,0|1,0,0]=3 223 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [1,0,0,1,0,0|0,0,1]=3 224 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [1,0,0,1,0,0|1,0,1]=4 225 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|0,0,2]=4 226 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [0,1,0,1,0,0|0,0,2]=4 227 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,2]=4 228 B13R1.654 CCCCCCCC1CCCC1=O CNP0079998.0 [0,1,0,1,0,0|0,0,2]=4 229 B13R1.27 C=CC/C=C/CC[C@@H]1CCC(=O)O1 CNP0295277.1 [0,1,0,1,0,0|0,0,2]=4 230 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,1,0,0|0,0,2]=4 231 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,1,0,0|0,0,2]=4 232 B13R1.4102 C=C[C@@H]1C[C@H](CCC[C@@H]1/C=C/C)C CNP0579831.1 [0,1,0,1,0,0|1,0,1]=4 233 B13R1.167 CC(=O)CCCCC1CCCC1=O CNP0595724.0 [0,1,0,1,0,0|0,0,1]=3 234 B13R1.280 O=C(O)CCN1CCCCCC1=O CNP0398881.0 [0,1,0,1,0,0|2,0,0]=4 235 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,1,0,1,0,0|0,0,2]=4 236 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,1,0,1,0,0|1,0,1]=4 237 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,1,0,1,0,0|0,0,2]=4 238 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,1,0,1,0,0|0,0,2]=4 239 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,1,0,1,0,0|0,0,2]=4 240 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,1,0,1,0,0|0,0,2]=4 241 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,1,0,1,0,0|0,0,2]=4 242 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,1,0,1,0,0|0,0,2]=4 243 B13R2.2356 C=C[C@@H]1CCC[C@@H]1[C@@H]2O[C@H]2C=C CNP0435006.1 [0,0,0,2,0,0|2,0,0]=4