0 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [0,0,0,0,0,0|1,0,1]=2 9 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [0,0,0,0,0,0|1,0,3]=4 10 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,0,0,0,0,0|1,0,3]=4 11 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,0,0,0,0,0|0,0,4]=4 12 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [0,0,0,0,0,0|1,0,3]=4 13 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [0,0,0,0,0,0|0,0,2]=2 14 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,0,0,0,0,0|1,0,3]=4 15 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [0,0,0,0,0,0|0,0,2]=2 16 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [0,0,0,0,0,0|1,0,3]=4 17 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [0,0,0,0,0,0|0,0,4]=4 18 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,0,0,0,0,0|0,0,4]=4 19 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,0,0,0,0,0|0,0,2]=2 20 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,0,0,0,0,0|0,0,4]=4 21 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,0,0,0,0,0|0,0,4]=4 22 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [0,0,0,0,0,0|0,0,4]=4 23 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,0,0,0,0,0|0,0,2]=2 24 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,0,0,0,0,0|0,0,4]=4 25 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,0,0,0,0,0|1,0,2]=3 26 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [0,0,0,0,0,0|0,0,0]=0 27 B10R0.71 CCCCCCCCCCC CNP0270748.0 [0,0,0,0,0,0|1,0,1]=2 28 B10R0.71 CCCCCCCCCCI CNP0573243.0 [0,0,0,0,0,0|1,0,1]=2 29 B10R0.71 CCCCCCCCCCN CNP0456638.0 [0,0,0,0,0,0|1,0,1]=2 30 B10R0.71 CCCCCCCCCCO CNP0305576.0 [0,0,0,0,0,0|0,0,2]=2 31 B10R0.71 CCCCCCCCCCS CNP0541016.0 [0,0,0,0,0,0|0,1,1]=2 32 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [0,0,0,0,0,0|1,0,1]=2 33 B10R0.71 CCCCCCCCCOC CNP0246631.0 [0,0,0,0,0,0|2,0,0]=2 34 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [0,0,0,0,0,0|1,0,0]=1 35 B10R0.71 CCCCCCCCOCC CNP0319929.0 [0,0,0,0,0,0|2,0,1]=3 36 B10R0.71 CCCCCNCCCCC CNP0450899.0 [0,0,0,0,0,0|2,0,1]=3 37 B10R0.71 CCCCOCCOCCO CNP0079968.0 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.71 CSCCCCCCC#[N+][O-] CNP0571326.0 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [0,0,0,0,0,0|2,0,1]=3 41 B10R0.71 CSCCCCCCCCN CNP0083876.0 [0,0,0,0,0,0|2,0,1]=3 42 B10R0.71 CSCCCCCCN=C=S CNP0299975.0 [0,0,0,0,0,0|2,1,1]=4 43 B10R0.71 N#CCCCCCCCC#N CNP0245038.0 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.71 NCCCCCNCCCN CNP0335308.0 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.71 NCCCCNCCCCN CNP0224806.0 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.71 OCCCCCCCCCO CNP0496013.0 [0,0,0,0,0,0|1,0,2]=3 47 B10R0.71 SCCCCCCCCCS CNP0323084.0 [0,0,0,0,0,0|1,1,1]=3 48 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [0,0,0,0,0,0|1,0,1]=2 49 B9R0.45 C#CCCCCCCCC CNP0272182.0 [1,0,0,0,0,0|0,0,2]=3 50 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|0,0,3]=4 51 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [1,0,0,0,0,0|0,0,3]=4 52 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,0,0,0,0,0|0,0,1]=2 53 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,0,0,0,0,0|1,0,1]=3 54 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,0,0,0,0,0|0,0,3]=4 55 B9R0.45 CCC#CCCCCCC CNP0606734.0 [1,0,0,0,0,0|0,0,3]=4 56 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,0,0,0,0,0|0,0,2]=3 57 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|0,0,3]=4 58 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,0,0,0,0|0,0,3]=4 59 B9R0.45 CCCC#CCCCCC CNP0576219.0 [1,0,0,0,0,0|0,0,3]=4 60 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,0,0,0,0|0,0,3]=4 61 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,0,0,0,0,0|0,0,2]=3 62 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|0,0,2]=3 63 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,0,0,0,0|0,0,3]=4 64 B9R0.45 CCCCCCC#CCO CNP0485953.0 [1,0,0,0,0,0|0,0,3]=4 65 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|0,0,2]=3 66 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|0,0,3]=4 67 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,0,0,0,0,0|0,0,2]=3 68 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,0,0,0,0|0,0,2]=3 69 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,0,0,0,0,0|1,0,2]=4 70 B9R0.45 CCCCCCCCC#N CNP0309769.0 [1,0,0,0,0,0|1,0,1]=3 71 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,0,0,0,0,0|0,0,0]=1 72 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,0,0,0,0|0,0,1]=2 73 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,0,0,0,0,0|1,0,0]=2 74 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,0,0,0,0|0,0,1]=2 75 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|1,0,1]=3 76 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,0,0,0,0,0|1,0,0]=2 77 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,0,0,0,0|1,0,0]=2 78 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,0,0,0,0,0|1,0,1]=3 79 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,0,0,0,0|1,0,1]=3 80 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,0,0,0,0,0|1,0,1]=3 81 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,0,0,0,0,0|1,0,1]=3 82 B9R0.45 CSCCCCCCC#N CNP0328653.0 [1,0,0,0,0,0|2,0,1]=4 83 B9R0.45 NCCCCCCCCN CNP0462737.0 [1,0,0,0,0,0|2,0,0]=3 84 B9R0.45 NCCCCNCCCN CNP0279184.0 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.45 NCCCNCCCC=O CNP0100864.0 [1,0,0,0,0,0|2,0,0]=3 86 B9R0.45 OCCCCCCCCO CNP0076363.0 [1,0,0,0,0,0|1,0,1]=3 87 B9R0.45 SCCCCCCCCS CNP0058300.0 [1,0,0,0,0,0|1,1,0]=3 88 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [0,1,0,0,0,0|1,0,1]=3 89 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [0,1,0,0,0,0|1,0,1]=3 90 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [0,1,0,0,0,0|1,0,1]=3 91 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [0,1,0,0,0,0|1,0,1]=3 92 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [0,1,0,0,0,0|0,0,3]=4 93 B11R0.3 C=CCCCCCCCCC=C CNP0256056.0 [0,1,0,0,0,0|1,0,1]=3 94 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [0,1,0,0,0,0|0,0,1]=2 95 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [0,1,0,0,0,0|1,0,0]=2 96 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [0,1,0,0,0,0|1,0,0]=2 97 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [0,1,0,0,0,0|1,0,0]=2 98 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [0,1,0,0,0,0|1,0,2]=4 99 B11R0.3 CC=CCCCCCCC=CC CNP0508194.0 [0,1,0,0,0,0|1,0,2]=4 100 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [0,1,0,0,0,0|0,0,1]=2 101 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [0,1,0,0,0,0|1,0,0]=2 102 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [0,1,0,0,0,0|1,0,1]=3 103 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [0,1,0,0,0,0|1,0,1]=3 104 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [0,1,0,0,0,0|0,0,3]=4 105 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [0,1,0,0,0,0|0,0,3]=4 106 B11R0.3 CCCCCC=CCCCCC CNP0563337.0 [0,1,0,0,0,0|1,0,2]=4 107 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [0,1,0,0,0,0|0,0,3]=4 108 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,1,0,0,0,0|0,0,1]=2 109 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,1,0,0,0,0|0,0,1]=2 110 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [0,1,0,0,0,0|0,0,2]=3 111 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [0,1,0,0,0,0|1,0,0]=2 112 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [0,1,0,0,0,0|0,0,0]=1 113 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [0,1,0,0,0,0|1,0,1]=3 114 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [0,1,0,0,0,0|0,0,2]=3 115 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [0,1,0,0,0,0|1,0,1]=3 116 B11R0.3 CCCCCCCCCCON CNP0565549.0 [0,1,0,0,0,0|0,0,2]=3 117 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [0,1,0,0,0,0|0,0,2]=3 118 B11R0.3 CCCCCSSCCCCC CNP0314925.0 [0,1,0,0,0,0|2,0,1]=4 119 B11R0.3 CCCCOCCOCCCC CNP0542178.0 [0,1,0,0,0,0|2,0,1]=4 120 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [0,1,0,0,0,0|1,0,1]=3 121 B11R0.3 CSCCCCCCCCC#N CNP0286392.0 [0,1,0,0,0,0|1,0,1]=3 122 B11R0.3 CSCCCCCCCN=C=S CNP0199024.0 [0,1,0,0,0,0|1,1,1]=4 123 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [0,1,0,0,0,0|0,0,1]=2 124 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [0,1,0,0,0,0|0,0,2]=3 125 B11R0.3 OCCCCCCCCNCO CNP0481493.0 [0,1,0,0,0,0|1,0,2]=4 126 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [0,1,0,0,0,0|1,0,1]=3 127 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [0,1,0,0,0,0|1,0,0]=2 128 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [0,1,0,0,0,0|1,0,1]=3 129 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,1,0,0,0,0|1,0,2]=4 130 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [0,1,0,0,0,0|1,0,1]=3 131 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [0,1,0,0,0,0|1,0,1]=3 132 B11R0.40 C/C=C/CCCCC[C@H](C)CC CNP0099624.1 [0,1,0,0,0,0|1,0,1]=3 133 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,1,0,0,0,0|1,0,2]=4 134 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,1,0,0,0,0|1,0,1]=3 135 B11R0.40 C=C[C@@H](O)C/C=C/CCCCC CNP0262643.1 [0,1,0,0,0,0|1,0,2]=4 136 B11R0.40 C=C[C@@H](O)C/C=C\CCCCC CNP0262643.2 [0,1,0,0,0,0|1,0,2]=4 137 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,1,0,0,0,0|1,0,0]=2 138 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,1,0,0,0,0|1,0,2]=4 139 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,1,0,0,0,0|1,0,1]=3 141 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,1,0,0,0,0|0,0,2]=3 142 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [0,1,0,0,0,0|1,0,1]=3 143 B11R0.81 C=CCCCCC(C)CCCC CNP0518967.0 [0,1,0,0,0,0|1,0,0]=2 144 B11R0.81 C=CCOC(=O)CCCCCC CNP0085340.0 [0,1,0,0,0,0|2,0,1]=4 145 B11R0.81 CC=CCC(C)CCCCCC CNP0482426.0 [0,1,0,0,0,0|1,0,1]=3 146 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,1,0,0,0,0|0,0,1]=2 147 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [0,1,0,0,0,0|1,0,1]=3 148 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [0,1,0,0,0,0|1,0,2]=4 149 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [0,1,0,0,0,0|1,0,1]=3 150 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,1,0,0,0,0|0,0,2]=3 151 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,1,0,0,0,0|1,0,1]=3 152 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,1,0,0,0,0|0,0,2]=3 153 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,1,0,0,0,0|0,0,2]=3 154 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [0,1,0,0,0,0|1,0,0]=2 155 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,1,0,0,0,0|1,0,0]=2 156 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,1,0,0,0,0|0,0,2]=3 157 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,1,0,0,0,0|0,0,2]=3 158 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,1,0,0,0,0|1,0,2]=4 159 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,1,0,0,0,0|0,0,2]=3 160 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,1,0,0,0,0|0,0,2]=3 161 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,1,0,0,0,0|0,0,2]=3 162 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,1,0,0,0,0|1,0,2]=4 163 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,1,0,0,0,0|0,0,2]=3 164 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,1,0,0,0,0|0,0,2]=3 165 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,1,0,0,0,0|1,0,2]=4 166 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,1,0,0,0,0|0,0,2]=3 167 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,1,0,0,0,0|1,0,2]=4 168 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,1,0,0,0,0|0,0,2]=3 169 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,1,0,0,0,0|0,0,2]=3 170 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,1,0,0,0,0|0,0,2]=3 171 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,1,0,0,0,0|1,0,1]=3 172 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,1,0,0,0,0|0,0,0]=1 173 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,1,0,0,0,0|0,0,0]=1 174 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,1,0,0,0,0|0,0,0]=1 175 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,1,0,0,0,0|0,0,0]=1 176 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,1,0,0,0,0|0,0,0]=1 177 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,1,0,0,0,0|0,0,0]=1 178 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,1,0,0,0,0|0,0,0]=1 179 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,1,0,0,0,0|0,0,0]=1 180 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,1,0,0,0,0|0,0,0]=1 181 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,1,0,0,0,0|0,0,0]=1 182 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [0,1,0,0,0,0|1,0,1]=3 183 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,1,0,0,0,0|0,0,2]=3 184 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,1,0,0,0,0|0,0,2]=3 185 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,1,0,0,0,0|1,0,0]=2 186 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,1,0,0,0,0|1,0,0]=2 187 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,1,0,0,0,0|1,0,0]=2 188 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,1,0,0,0,0|2,0,0]=3 189 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,1,0,0,0,0|1,0,0]=2 190 B11R0.148 CSCCCCCCNC(=N)S CNP0610239.0 [0,1,0,0,0,0|2,1,0]=4 191 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,1,0,0,0,0|2,0,0]=3 192 B11R0.148 CSCCCCCCNC(=S)N CNP0104929.0 [0,1,0,0,0,0|2,1,0]=4 193 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [0,1,0,0,0,0|2,0,1]=4 194 B11R0.148 C[S@+]([O-])CCCCCCCC#N CNP0570120.1 [0,1,0,0,0,0|2,0,1]=4 195 B11R0.148 C[S@+]([O-])CCCCCCCC=N CNP0478957.1 [0,1,0,0,0,0|2,0,0]=3 196 B11R0.148 C[S@H+]([O-])CCCCCCCC#N CNP0479647.1 [0,1,0,0,0,0|2,0,1]=4 197 B11R0.148 C[S@H+]([O-])CCCCCCCC=N CNP0504595.1 [0,1,0,0,0,0|2,0,0]=3 198 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,1,0,0,0,0|1,0,0]=2 199 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [0,0,0,1,0,0|1,0,1]=3 201 B11R1.17 CC#CC[C@H]1CCCCC1=O CNP0076380.1 [0,0,0,1,0,0|0,0,2]=3 202 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [0,0,0,1,0,0|0,0,2]=3 203 B11R1.17 CCNC=C1CCCCC1=O CNP0145902.0 [0,0,0,1,0,0|1,0,2]=4 204 B11R1.17 N#CCC[C@@H]1CCCCC1=O CNP0389654.1 [0,0,0,1,0,0|1,0,1]=3 205 B11R1.17 N#CCC[C@H]1CCCCC1=O CNP0389654.2 [0,0,0,1,0,0|1,0,1]=3 206 B11R1.18 C=C[C@@H]1CC=C[C@@H]1CCCC CNP0288194.2 [0,0,0,1,0,0|1,0,2]=4 207 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C/CC CNP0336549.1 [0,0,0,1,0,0|1,0,2]=4 208 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C\CC CNP0336549.2 [0,0,0,1,0,0|1,0,2]=4 209 B11R1.18 C=C[C@H]1CC=C[C@@H]1CCCC CNP0288194.3 [0,0,0,1,0,0|1,0,2]=4 210 B11R1.18 C=C[C@H]1CC=C[C@H]1CCCC CNP0288194.1 [0,0,0,1,0,0|1,0,2]=4 211 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [0,0,0,1,0,0|1,0,1]=3 212 B11R1.28 C=CCCCC1=NCCCC1 CNP0217788.0 [0,0,0,1,0,0|2,0,1]=4 213 B11R1.28 C=CCCCC1SCCCS1 CNP0342525.0 [0,0,0,1,0,0|3,0,0]=4 214 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,0,0,1,0,0|1,0,2]=4 215 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [0,0,0,1,0,0|1,0,2]=4 216 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [0,0,0,1,0,0|1,0,2]=4 217 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [0,0,0,1,0,0|1,0,1]=3 218 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [0,0,0,1,0,0|1,0,1]=3 219 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,0,0,1,0,0|1,0,2]=4 220 B11R1.28 O=CCCCC1CCNCC1 CNP0601651.0 [0,0,0,1,0,0|1,0,0]=2 221 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [0,0,0,1,0,0|1,0,1]=3 222 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [0,0,0,1,0,0|1,0,1]=3 223 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,0,0,1,0,0|1,0,1]=3 224 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [0,0,0,1,0,0|2,0,0]=3 225 B11R1.92 C1CCCCCCCCCC1 CNP0508104.0 [0,0,0,1,0,0|1,0,1]=3 226 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [0,0,0,1,0,0|1,0,1]=3 227 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,0,0,1,0,0|1,0,1]=3 228 B11R1.101 C[C@@H]1CCCCCCCNC1 CNP0435621.1 [0,0,0,1,0,0|2,0,0]=3 229 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|1,0,2]=4 230 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,0,0,1,0,0|0,0,2]=3 231 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [0,0,0,1,0,0|1,0,2]=4 232 B11R1.101 PN1CCCCCNCCC1 CNP0213526.0 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,0,0,1,0,0|0,0,2]=3 234 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,0,0,1,0,0|0,0,0]=1 235 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,0,0,1,0,0|1,0,0]=2 236 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,0,0,1,0,0|0,0,2]=3 237 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,0,0,1,0,0|0,0,2]=3 238 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [0,0,0,1,0,0|1,0,2]=4 239 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [0,0,0,1,0,0|1,0,2]=4 240 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [0,0,0,1,0,0|1,0,2]=4 241 B11R1.216 CCCCC1OC1C=CC=O CNP0451986.0 [0,0,0,1,0,0|1,0,2]=4 242 B11R1.229 C=C[C@@H]1C[C@@H]1/C=C/CCCC CNP0182947.5 [0,0,0,1,0,0|1,0,2]=4 243 B11R1.229 C=C[C@@H]1C[C@H]1/C=C/CCCC CNP0182947.6 [0,0,0,1,0,0|1,0,2]=4 244 B11R1.229 C=C[C@@H]1C[C@H]1/C=C\CCCC CNP0182947.4 [0,0,0,1,0,0|1,0,2]=4 245 B11R1.229 C=C[C@H]1C[C@@H]1/C=C/CCCC CNP0182947.1 [0,0,0,1,0,0|1,0,2]=4 246 B11R1.229 C=C[C@H]1C[C@@H]1/C=C\CCCC CNP0182947.2 [0,0,0,1,0,0|1,0,2]=4 247 B11R1.229 C=C[C@H]1C[C@H]1/C=C\CCCC CNP0182947.3 [0,0,0,1,0,0|1,0,2]=4 248 B8R0.4 C=CCCCCCC=O CNP0184185.0 [2,0,0,0,0,0|0,0,2]=4 249 B8R0.4 C=CCCCCCCC CNP0317850.0 [2,0,0,0,0,0|0,0,1]=3 250 B8R0.4 C=CCCCCCCO CNP0610530.0 [2,0,0,0,0,0|1,0,1]=4 251 B8R0.4 CC#CCCCCCC CNP0610539.0 [2,0,0,0,0,0|0,0,2]=4 252 B8R0.4 CC=CCCCCC=O CNP0181844.0 [2,0,0,0,0,0|0,0,2]=4 253 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,2]=4 254 B8R0.4 CCC=CCCCC=O CNP0002614.0 [2,0,0,0,0,0|0,0,2]=4 255 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|0,0,2]=4 256 B8R0.4 CCCC#CCCCC CNP0399647.0 [2,0,0,0,0,0|0,0,2]=4 257 B8R0.4 CCCC=CCCCC CNP0594829.0 [2,0,0,0,0,0|0,0,2]=4 258 B8R0.4 CCCCC=CCC=O CNP0207183.0 [2,0,0,0,0,0|0,0,2]=4 259 B8R0.4 CCCCCC=CC=O CNP0192932.0 [2,0,0,0,0,0|0,0,2]=4 260 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,2]=4 261 B8R0.4 CCCCCCCC#N CNP0112630.0 [2,0,0,0,0,0|1,0,1]=4 262 B8R0.4 CCCCCCCC=O CNP0146292.0 [2,0,0,0,0,0|0,0,0]=2 263 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|0,0,0]=2 264 B8R0.4 CCCCCCCCN CNP0065900.0 [2,0,0,0,0,0|1,0,0]=3 265 B8R0.4 CCCCCCCCO CNP0368614.0 [2,0,0,0,0,0|0,0,1]=3 266 B8R0.4 CCCCCCCNC CNP0216624.0 [2,0,0,0,0,0|1,0,0]=3 267 B8R0.4 CCCCCCCOO CNP0566054.0 [2,0,0,0,0,0|1,0,1]=4 268 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [2,0,0,0,0,0|0,0,0]=2 269 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|1,0,0]=3 270 B8R0.4 CCCCCCOCC CNP0609034.0 [2,0,0,0,0,0|1,0,0]=3 271 B8R0.4 CCCCCCSSC CNP0510251.0 [2,0,0,0,0,0|2,0,0]=4 272 B8R0.4 CCCCNCCCC CNP0203128.0 [2,0,0,0,0,0|1,0,0]=3 273 B8R0.4 CCCCOCCCC CNP0077266.0 [2,0,0,0,0,0|1,0,0]=3 274 B8R0.4 CCCCOCCCO CNP0141373.0 [2,0,0,0,0,0|1,0,1]=4 275 B8R0.4 CCCCSCCCC CNP0370059.0 [2,0,0,0,0,0|1,0,0]=3 276 B8R0.4 CCCCSSCCC CNP0003137.0 [2,0,0,0,0,0|2,0,0]=4 277 B8R0.4 CCNCCCNCC CNP0239670.0 [2,0,0,0,0,0|2,0,0]=4 278 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [1,1,0,0,0,0|0,0,2]=4 279 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [1,1,0,0,0,0|0,0,2]=4 280 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [1,1,0,0,0,0|1,0,0]=3 281 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [1,1,0,0,0,0|0,0,1]=3 282 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [1,1,0,0,0,0|0,0,1]=3 283 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [1,1,0,0,0,0|0,0,1]=3 284 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [1,1,0,0,0,0|0,0,1]=3 285 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [1,1,0,0,0,0|2,0,0]=4 286 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [1,1,0,0,0,0|0,0,2]=4 287 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [1,1,0,0,0,0|0,0,2]=4 288 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [1,1,0,0,0,0|0,0,2]=4 289 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,1,0,0,0,0|1,0,0]=3 290 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [1,1,0,0,0,0|0,0,0]=2 291 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [1,1,0,0,0,0|0,0,2]=4 292 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [1,1,0,0,0,0|0,0,2]=4 293 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [1,1,0,0,0,0|0,0,2]=4 294 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,1,0,0,0,0|0,0,2]=4 295 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,1,0,0,0,0|0,0,2]=4 296 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,1,0,0,0,0|0,0,2]=4 297 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,1,0,0,0,0|0,0,2]=4 298 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,1,0,0,0,0|0,0,2]=4 299 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,1,0,0,0,0|0,0,2]=4 300 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,1,0,0,0,0|0,0,2]=4 301 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,1,0,0,0,0|0,0,0]=2 302 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,1,0,0,0,0|0,0,0]=2 303 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,1,0,0,0,0|0,0,0]=2 304 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,1,0,0,0,0|0,0,0]=2 305 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,1,0,0,0,0|0,0,1]=3 306 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,1,0,0,0,0|0,0,1]=3 307 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,1,0,0,0,0|0,0,1]=3 308 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [1,1,0,0,0,0|1,0,1]=4 309 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [1,1,0,0,0,0|1,0,1]=4 310 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,1,0,0,0,0|1,0,0]=3 311 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [1,1,0,0,0,0|2,0,0]=4 312 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [1,1,0,0,0,0|2,0,0]=4 313 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,1,0,0,0,0|1,0,0]=3 314 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [1,1,0,0,0,0|2,0,0]=4 315 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [1,1,0,0,0,0|2,0,0]=4 316 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,1,0,0,0,0|1,0,0]=3 317 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,1,0,0,0,0|1,0,0]=3 318 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [1,1,0,0,0,0|0,0,2]=4 319 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [1,1,0,0,0,0|0,0,1]=3 320 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [1,1,0,0,0,0|0,0,1]=3 321 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [1,1,0,0,0,0|0,0,2]=4 322 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [1,1,0,0,0,0|1,0,1]=4 323 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [1,1,0,0,0,0|0,0,1]=3 324 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [1,1,0,0,0,0|0,0,1]=3 325 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [1,1,0,0,0,0|0,0,1]=3 326 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [1,1,0,0,0,0|0,0,1]=3 327 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [1,1,0,0,0,0|0,0,1]=3 328 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [1,1,0,0,0,0|0,0,1]=3 329 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [1,1,0,0,0,0|0,0,2]=4 330 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,1,0,0,0,0|0,0,1]=3 331 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [1,1,0,0,0,0|0,0,2]=4 332 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [1,1,0,0,0,0|0,0,1]=3 333 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [1,1,0,0,0,0|0,0,1]=3 334 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [1,1,0,0,0,0|0,0,2]=4 335 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [1,1,0,0,0,0|0,0,1]=3 336 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [1,1,0,0,0,0|0,0,1]=3 337 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [1,1,0,0,0,0|0,0,2]=4 338 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [1,1,0,0,0,0|0,0,0]=2 339 B12R0.1 C#CCC(O)CCCCCCCC CNP0483008.0 [0,2,0,0,0,0|1,0,1]=4 340 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,2,0,0,0,0|1,0,1]=4 341 B12R0.1 CCCCCCCCC(C)OC=O CNP0539343.0 [0,2,0,0,0,0|0,0,0]=2 342 B12R0.1 CCCCCCCC[C@H](C)CCC CNP0076722.1 [0,2,0,0,0,0|1,0,1]=4 343 B12R0.1 CCCCCCCC[S@@+]([O-])CCO CNP0546559.1 [0,2,0,0,0,0|0,0,2]=4 344 B12R0.5 C#CC=CCCCCCCCCC CNP0168870.0 [0,2,0,0,0,0|1,0,0]=3 345 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [0,2,0,0,0,0|1,0,0]=3 346 B12R0.5 C=CC=CCCCCCCCCO CNP0306719.0 [0,2,0,0,0,0|1,0,1]=4 347 B12R0.5 C=CCCC=CCCCCCCC CNP0172346.0 [0,2,0,0,0,0|1,0,0]=3 348 B12R0.5 C=CCCCC=CCCCCCC CNP0076850.0 [0,2,0,0,0,0|1,0,0]=3 349 B12R0.5 C=CCCCCCCCCC=CC CNP0054973.0 [0,2,0,0,0,0|1,0,0]=3 350 B12R0.5 C=CCCCCCCCCCC=C CNP0610541.0 [0,2,0,0,0,0|1,0,0]=3 351 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [0,2,0,0,0,0|1,0,0]=3 352 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [0,2,0,0,0,0|1,0,0]=3 353 B12R0.5 CC#CCCCCCCCCCO CNP0563211.0 [0,2,0,0,0,0|0,0,2]=4 354 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [0,2,0,0,0,0|1,0,0]=3 355 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [0,2,0,0,0,0|1,0,0]=3 356 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [0,2,0,0,0,0|0,0,0]=2 357 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [0,2,0,0,0,0|1,0,0]=3 358 B12R0.5 CCC=CCCCCCCCCO CNP0133783.0 [0,2,0,0,0,0|0,0,2]=4 359 B12R0.5 CCCC=CCCCCCCCO CNP0274278.0 [0,2,0,0,0,0|0,0,2]=4 360 B12R0.5 CCCCC=CC=CCCCC=O CNP0280638.0 [0,2,0,0,0,0|0,0,2]=4 361 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [0,2,0,0,0,0|0,0,0]=2 362 B12R0.5 CCCCC=CCCCCCCC CNP0586294.0 [0,2,0,0,0,0|1,0,1]=4 363 B12R0.5 CCCCC=CCCCCCCO CNP0260521.0 [0,2,0,0,0,0|0,0,2]=4 364 B12R0.5 CCCCCC#CCCCCCC CNP0154721.0 [0,2,0,0,0,0|1,0,1]=4 365 B12R0.5 CCCCCC=CCCC=CC=O CNP0168017.0 [0,2,0,0,0,0|0,0,2]=4 366 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [0,2,0,0,0,0|0,0,0]=2 367 B12R0.5 CCCCCC=CCCCCCC CNP0240715.0 [0,2,0,0,0,0|1,0,1]=4 368 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [0,2,0,0,0,0|0,0,0]=2 369 B12R0.5 CCCCCCCC=CC=CC=O CNP0081684.0 [0,2,0,0,0,0|0,0,2]=4 370 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [0,2,0,0,0,0|0,0,2]=4 371 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [0,2,0,0,0,0|0,0,0]=2 372 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [0,2,0,0,0,0|0,0,1]=3 373 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [0,2,0,0,0,0|0,0,1]=3 374 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [0,2,0,0,0,0|1,0,1]=4 375 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [0,2,0,0,0,0|0,0,0]=2 376 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [0,2,0,0,0,0|1,0,1]=4 377 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [0,2,0,0,0,0|0,0,2]=4 378 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [0,2,0,0,0,0|0,0,0]=2 379 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [0,2,0,0,0,0|0,0,2]=4 380 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [0,2,0,0,0,0|1,0,1]=4 381 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [0,2,0,0,0,0|1,0,1]=4 382 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [0,2,0,0,0,0|1,0,1]=4 383 B12R0.5 CSCCCCCCCCC=NO CNP0085412.0 [0,2,0,0,0,0|0,0,1]=3 384 B12R0.5 CSCCCCCCCCN=C=S CNP0259442.0 [0,2,0,0,0,0|0,1,1]=4 385 B12R0.5 OCCCCCCCCCCCO CNP0368503.0 [0,2,0,0,0,0|0,0,2]=4 386 B12R0.47 CCCCCC(=O)CCCCC#N CNP0136288.0 [0,2,0,0,0,0|1,0,1]=4 387 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,2,0,0,0,0|1,0,1]=4 388 B12R0.206 CCCCCCCC(=O)CCCC CNP0528685.0 [0,2,0,0,0,0|1,0,1]=4 389 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,2,0,0,0,0|0,0,1]=3 390 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,2,0,0,0,0|0,0,1]=3 391 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [0,2,0,0,0,0|0,0,1]=3 392 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [0,2,0,0,0,0|0,0,1]=3 393 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [0,2,0,0,0,0|0,0,2]=4 394 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,2,0,0,0,0|0,0,1]=3 395 B12R0.234 CC(=O)NCCCCNCCCN CNP0348437.0 [0,2,0,0,0,0|2,0,0]=4 396 B12R0.234 CC(=O)NCCCNCCCCN CNP0155123.0 [0,2,0,0,0,0|2,0,0]=4 397 B12R0.234 CCC=CCCCCCOC(=O)C CNP0503657.0 [0,2,0,0,0,0|0,0,2]=4 398 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,2,0,0,0,0|0,0,1]=3 399 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,2,0,0,0,0|0,0,1]=3 400 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,2,0,0,0,0|0,0,0]=2 401 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,2,0,0,0,0|0,0,0]=2 402 B12R0.234 CCCCCCCCCCC(C)C CNP0258052.0 [0,2,0,0,0,0|1,0,1]=4 403 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [0,2,0,0,0,0|0,0,2]=4 404 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [0,2,0,0,0,0|0,0,2]=4 405 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,2,0,0,0,0|0,0,0]=2 406 B12R0.234 COSCCCCCCNC(=O)N CNP0309381.0 [0,2,0,0,0,0|2,0,0]=4 407 B12R0.234 C[S@+]([O-])CCCCCCCCC#N CNP0508187.1 [0,2,0,0,0,0|1,0,1]=4 408 B12R0.234 C[S@H+]([O-])CCCCCCCCC#N CNP0499553.1 [0,2,0,0,0,0|1,0,1]=4 409 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,2,0,0,0,0|0,0,2]=4 410 B12R0.234 O=C(O)CCCCCCC=CCO CNP0316414.0 [0,2,0,0,0,0|0,0,2]=4 411 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,2,0,0,0,0|0,0,0]=2 412 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,2,0,0,0,0|0,0,2]=4 413 B12R0.248 C#CCCCCCCC[C@@H](C)OC CNP0247921.1 [0,2,0,0,0,0|1,0,1]=4 414 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,2,0,0,0,0|0,0,0]=2 415 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,2,0,0,0,0|1,0,0]=3 416 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,2,0,0,0,0|0,0,2]=4 417 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,2,0,0,0,0|0,0,2]=4 418 B12R0.248 C=CCCCCCCCC(C)C=O CNP0082078.0 [0,2,0,0,0,0|0,0,1]=3 419 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,2,0,0,0,0|0,0,2]=4 420 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,2,0,0,0,0|0,0,2]=4 421 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,2,0,0,0,0|0,0,1]=3 422 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,2,0,0,0,0|0,0,0]=2 423 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,2,0,0,0,0|0,0,0]=2 424 B12R0.248 CCCCCCCCCC(C)CC CNP0349662.0 [0,2,0,0,0,0|1,0,1]=4 425 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [0,2,0,0,0,0|0,0,0]=2 426 B12R0.248 CCCCCCCCC[C@@H](C)CI CNP0083067.1 [0,2,0,0,0,0|1,0,1]=4 427 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [0,2,0,0,0,0|0,0,0]=2 428 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,2,0,0,0,0|1,0,0]=3 429 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,2,0,0,0,0|0,0,1]=3 430 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,2,0,0,0,0|1,0,0]=3 431 B12R0.4 CCCCC/C=C\[C@H](C)CC(=O)O CNP0187817.1 [0,2,0,0,0,0|0,0,2]=4 432 B12R0.4 CCCCCCC=C(C)CC(=O)O CNP0186143.0 [0,2,0,0,0,0|0,0,2]=4 433 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,2,0,0,0,0|0,0,1]=3 434 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,2,0,0,0,0|1,0,1]=4 435 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,2,0,0,0,0|0,0,0]=2 436 B12R0.4 CCCCCCC[C@H](C)CC(C)C CNP0113315.1 [0,2,0,0,0,0|1,0,1]=4 437 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,2,0,0,0,0|1,0,0]=3 438 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,2,0,0,0,0|0,0,0]=2 439 B12R0.101 CCCCC(C)CCC(C)CCC CNP0511161.0 [0,2,0,0,0,0|1,0,1]=4 440 B12R0.114 CC=CC(C)C(C)CCCCCC CNP0500249.0 [0,2,0,0,0,0|1,0,1]=4 441 B12R0.239 CCCCC[C@H](C)C[C@@H](C)CCC CNP0261462.1 [0,2,0,0,0,0|1,0,1]=4 442 B12R0.239 CCCCC[C@H](O)C[C@H](O)CCC CNP0127326.1 [0,2,0,0,0,0|1,0,1]=4 443 B12R0.276 CCCC(C)CCCCC(C)CC CNP0282190.0 [0,2,0,0,0,0|1,0,1]=4 444 B12R0.277 CCCC(Cl)CCCCOC(=O)C CNP0522583.0 [0,2,0,0,0,0|1,0,0]=3 445 B12R0.277 CCC[C@@H](C)CCCCCC(=O)O CNP0194627.1 [0,2,0,0,0,0|0,0,0]=2 446 B12R0.277 CCC[C@@H](N)CCCCCC(=O)O CNP0362333.2 [0,2,0,0,0,0|0,0,0]=2 447 B12R0.277 CCC[C@H](C)CCCCCC(=O)O CNP0194627.2 [0,2,0,0,0,0|0,0,0]=2 448 B12R0.277 CCC[C@H](N)CCCCCC(=O)O CNP0362333.1 [0,2,0,0,0,0|0,0,0]=2 449 B12R0.277 CCC[C@H](O)CCCCCC(=O)O CNP0317739.1 [0,2,0,0,0,0|0,0,0]=2 450 B12R0.57 CCCCCCCCC(OC)OC CNP0339378.0 [0,2,0,0,0,0|2,0,0]=4 451 B12R0.102 CC[C@@H](C)CCC[C@@H](C)CCC=O CNP0244248.3 [0,2,0,0,0,0|0,0,0]=2 452 B12R0.102 CC[C@@H](C)CCC[C@H](C)CCC=O CNP0244248.1 [0,2,0,0,0,0|0,0,0]=2 453 B12R0.102 CC[C@H](C)CCC[C@@H](C)CCC=O CNP0244248.2 [0,2,0,0,0,0|0,0,0]=2 454 B12R0.102 CC[C@H](C)CCC[C@H](C)CCC=O CNP0244248.4 [0,2,0,0,0,0|0,0,0]=2 455 B12R0.113 CCCCCCC(C)CC(C)CC CNP0518692.0 [0,2,0,0,0,0|1,0,1]=4 456 B12R0.142 CCCCC[C@@H](C)CC[C@@H](C)CC CNP0119463.1 [0,2,0,0,0,0|1,0,1]=4 457 B12R0.142 CCCCC[C@H](C)CC[C@@H](C)CC CNP0119463.2 [0,2,0,0,0,0|1,0,1]=4 458 B12R0.142 CCCCC[C@H](C)CC[C@H](C)CC CNP0119463.3 [0,2,0,0,0,0|1,0,1]=4 459 B12R0.184 C=CC(O)CCCCCCC(=O)O CNP0087002.0 [0,2,0,0,0,0|0,0,2]=4 460 B12R0.184 CCC(C)CCCCCCC(C)C CNP0128585.0 [0,2,0,0,0,0|1,0,1]=4 461 B12R0.184 CC[C@H](C)CCCCCCC(=O)O CNP0206079.1 [0,2,0,0,0,0|0,0,0]=2 462 B12R0.184 COC(=O)CCCCCCC(=O)O CNP0275563.0 [0,2,0,0,0,0|1,0,1]=4 463 B12R0.184 NCC(=O)CCCCCCC(=O)O CNP0327835.0 [0,2,0,0,0,0|1,0,1]=4 464 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,2,0,0,0,0|0,0,1]=3 465 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,2,0,0,0,0|0,0,1]=3 466 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,2,0,0,0,0|0,0,0]=2 467 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [0,2,0,0,0,0|0,0,0]=2 468 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [0,2,0,0,0,0|0,0,0]=2 469 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [0,2,0,0,0,0|0,0,0]=2 470 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,2,0,0,0,0|1,0,1]=4 471 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [0,2,0,0,0,0|1,0,0]=3 472 B12R0.312 CCCCCCCCC(C)(C)CO CNP0129128.0 [0,2,0,0,0,0|0,0,2]=4 473 B12R0.95 CCCC[C@@H](O)C#CCCC(=O)O CNP0253343.2 [0,2,0,0,0,0|0,0,2]=4 474 B12R0.95 CCCC[C@H](O)C#CCCC(=O)O CNP0253343.1 [0,2,0,0,0,0|0,0,2]=4 475 B12R0.95 CCCC[C@H](O)CCCCC(=O)O CNP0272139.1 [0,2,0,0,0,0|0,0,0]=2 476 B12R0.103 CCCCC(C)CC(C)CCCC CNP0600883.0 [0,2,0,0,0,0|1,0,1]=4 477 B12R0.111 CCCCCC[C@H](CO)CCCC CNP0192823.1 [0,2,0,0,0,0|1,0,1]=4 478 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,2,0,0,0,0|0,0,1]=3 479 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,2,0,0,0,0|0,0,1]=3 480 B12R0.255 CCCCCCC(=O)NCC(=O)O CNP0038002.0 [0,2,0,0,0,0|1,0,1]=4 481 B12R0.255 CCCCCCC(C)CC=C(C)C CNP0591018.0 [0,2,0,0,0,0|1,0,1]=4 482 B12R0.255 CCCCCOC(=O)CCC(=O)C CNP0609109.0 [0,2,0,0,0,0|1,0,1]=4 483 B12R0.585 CCCCCCC(C)(C)CCCC CNP0085885.0 [0,2,0,0,0,0|1,0,1]=4 484 B12R0.648 CCCCC[C@H](C)[C@H](C)CCC=O CNP0312819.1 [0,2,0,0,0,0|0,0,0]=2 485 B12R0.648 CCCCC[C@H](C)[C@H](C)CCCC CNP0287943.1 [0,2,0,0,0,0|1,0,1]=4 486 B12R0.233 C=C(C)CCCC(C)CCOC=O CNP0415733.0 [0,2,0,0,0,0|1,0,1]=4 487 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [0,2,0,0,0,0|0,0,1]=3 488 B12R0.233 CC(C)CCC[C@@H](C)CCCCO CNP0362773.1 [0,2,0,0,0,0|0,0,2]=4 489 B12R0.233 CC(C)CCC[C@H](C)CCCCO CNP0362773.2 [0,2,0,0,0,0|0,0,2]=4 490 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,2,0,0,0,0|0,0,1]=3 491 B12R0.233 CCCCCC(C)CCCC(C)C CNP0542060.0 [0,2,0,0,0,0|1,0,1]=4 492 B12R0.233 CCCCC[C@H](O)CCCC(=O)O CNP0114225.1 [0,2,0,0,0,0|0,0,0]=2 493 B12R0.119 CCCCCCCCNS(=O)(=O)O CNP0459977.0 [0,2,0,0,0,0|2,0,0]=4 494 B12R0.119 CCCCCCCCOP(=O)(O)O CNP0155776.0 [0,2,0,0,0,0|2,0,0]=4 495 B12R0.119 CCCCCCCCOS(=O)(=O)O CNP0146110.0 [0,2,0,0,0,0|2,0,0]=4 496 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [0,2,0,0,0,0|0,0,0]=2 497 B12R0.268 CC(C)CCCCCCCC(=O)O CNP0109886.0 [0,2,0,0,0,0|0,0,0]=2 498 B12R0.268 C[C@@H](O)CCCCCCCC(=O)O CNP0241170.1 [0,2,0,0,0,0|0,0,0]=2 499 B12R0.268 C[C@H](O)CCCCC/C=C/C(=O)O CNP0140668.1 [0,2,0,0,0,0|0,0,2]=4 500 B12R0.268 C[S+]([O-])CCCCCCNC(=O)N CNP0546672.0 [0,2,0,0,0,0|2,0,0]=4 501 B12R0.268 C[S@+]([O-])CCCCCCNC(=O)N CNP0546672.1 [0,2,0,0,0,0|2,0,0]=4 502 B12R0.268 O=C(O)CCCCCCCC(=O)O CNP0225848.0 [0,2,0,0,0,0|1,0,1]=4 503 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,0,0,1,0,0|0,0,1]=3 504 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [1,0,0,1,0,0|1,0,0]=3 505 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [1,0,0,1,0,0|1,0,1]=4 506 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [1,0,0,1,0,0|1,0,1]=4 507 B10R1.4 COCC1CCCC[C@@H]1N CNP0344437.1 [1,0,0,1,0,0|2,0,0]=4 508 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [1,0,0,1,0,0|1,0,1]=4 509 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [1,0,0,1,0,0|1,0,1]=4 510 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [1,0,0,1,0,0|1,0,1]=4 511 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [1,0,0,1,0,0|1,0,1]=4 512 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [1,0,0,1,0,0|1,0,1]=4 513 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [1,0,0,1,0,0|1,0,1]=4 514 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [1,0,0,1,0,0|0,0,1]=3 515 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [1,0,0,1,0,0|1,0,1]=4 516 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,0,0,1,0,0|0,0,1]=3 517 B10R1.17 CCCCN1CCCCC1 CNP0144068.0 [1,0,0,1,0,0|1,0,1]=4 518 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [1,0,0,1,0,0|0,0,0]=2 519 B10R1.20 O=CN1CCCCC1CO CNP0303118.0 [1,0,0,1,0,0|2,0,0]=4 520 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [1,0,0,1,0,0|0,0,1]=3 521 B10R1.21 CCCCCC1NCCS1 CNP0234327.0 [1,0,0,1,0,0|1,1,0]=4 522 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|1,0,0]=3 523 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [1,0,0,1,0,0|0,0,2]=4 524 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [1,0,0,1,0,0|0,0,0]=2 525 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [1,0,0,1,0,0|0,0,1]=3 526 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|0,0,1]=3 527 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [1,0,0,1,0,0|0,0,1]=3 528 B12R1.8 CCCCC=CC1C=CCCC1 CNP0585134.0 [0,1,0,1,0,0|1,0,1]=4 529 B12R1.8 CCCCCCC1=CCCCC1 CNP0080554.0 [0,1,0,1,0,0|1,0,1]=4 530 B12R1.8 CCCCCCC1CCCCC1 CNP0080553.0 [0,1,0,1,0,0|1,0,1]=4 531 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,2]=4 532 B12R1.267 CCCCCC1CCCOC1=O CNP0206110.0 [0,1,0,1,0,0|0,0,0]=2 533 B12R1.267 O=C1CCCCN1CCCCBr CNP0215527.0 [0,1,0,1,0,0|1,0,0]=3 534 B12R1.320 CCCC[C@@H]1CCC[C@H]1CCC CNP0236977.1 [0,1,0,1,0,0|1,0,1]=4 535 B12R1.372 CCC=CCCC1CCCC1=O CNP0076899.0 [0,1,0,1,0,0|0,0,1]=3 536 B12R1.375 CCCCCCCCCC1CC1 CNP0146839.0 [0,1,0,1,0,0|1,0,1]=4 537 B12R1.399 CCC1CCCCCCC1CC CNP0086297.0 [0,1,0,1,0,0|1,0,1]=4 538 B12R1.454 CCCCCCC[C@@H]1O[C@@H]1CC CNP0425218.1 [0,1,0,1,0,0|1,0,1]=4 539 B12R1.550 C1=CCCCCCCCCCC1 CNP0182865.0 [0,1,0,1,0,0|1,0,0]=3 540 B12R1.550 C1CCCCCCCCCCC1 CNP0102351.0 [0,1,0,1,0,0|1,0,1]=4 541 B12R1.1410 CCCCC[C@H]1O[C@@H]1/C=C/C=O CNP0381655.1 [0,1,0,1,0,0|0,0,2]=4 542 B12R1.28 CC/C=C/C[C@@H]1CCCC(=O)O1 CNP0270021.2 [0,1,0,1,0,0|0,0,2]=4 543 B12R1.28 CC/C=C\C[C@H]1CCCC(=O)O1 CNP0270021.1 [0,1,0,1,0,0|0,0,2]=4 544 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,1,0,1,0,0|1,0,0]=3 545 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,1,0,0|0,0,2]=4 546 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,1,0,0|0,0,2]=4 547 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,1,0,1,0,0|0,0,0]=2 548 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,1,0,0|0,0,2]=4 549 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,1,0,1,0,0|0,0,0]=2 550 B12R1.32 CCC[C@@H](O)C[C@@H]1CCCCN1 CNP0179538.3 [0,1,0,1,0,0|1,0,1]=4 551 B12R1.32 CCC[C@@H](O)C[C@H]1CCCCN1 CNP0179538.2 [0,1,0,1,0,0|1,0,1]=4 552 B12R1.32 CCC[C@H](O)C[C@@H]1CCCCN1 CNP0179538.1 [0,1,0,1,0,0|1,0,1]=4 553 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [0,1,0,1,0,0|0,0,2]=4 554 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|0,0,0]=2 555 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [0,1,0,1,0,0|0,0,2]=4 556 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|0,0,0]=2 557 B12R1.340 CCCC[C@@H]1CC[C@@H](N1)CCC CNP0359443.2 [0,1,0,1,0,0|1,0,1]=4 558 B12R1.340 CCCC[C@H]1CC[C@@H](N1)CCC CNP0359443.1 [0,1,0,1,0,0|1,0,1]=4 559 B12R1.340 CCCC[C@H]1CC[C@H](N1)CCC CNP0359443.3 [0,1,0,1,0,0|1,0,1]=4 560 B12R1.1469 CCC[C@]1(CCCC[C@H]1CO)O CNP0361366.1 [0,1,0,1,0,0|0,0,2]=4 561 B12R1.1 CCCCCC1CCC(CN1)O CNP0499232.0 [0,1,0,1,0,0|1,0,1]=4 562 B12R1.7 CC/C=C\CC[C@@H]1CCC(=O)O1 CNP0155481.1 [0,1,0,1,0,0|0,0,2]=4 563 B12R1.7 CCCC#CC[C@@H]1CCC(=O)O1 CNP0502318.1 [0,1,0,1,0,0|0,0,2]=4 564 B12R1.7 CCCC#CC[C@H]1CCC(=O)O1 CNP0502318.2 [0,1,0,1,0,0|0,0,2]=4 565 B12R1.7 CCCC/C=C/[C@@H]1CCC(=O)O1 CNP0294623.2 [0,1,0,1,0,0|0,0,2]=4 566 B12R1.7 CCCC/C=C\[C@@H]1CCC(=O)O1 CNP0294623.1 [0,1,0,1,0,0|0,0,2]=4 567 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,1,0,1,0,0|0,0,2]=4 568 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,1,0,1,0,0|0,0,0]=2 569 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,1,0,1,0,0|0,0,0]=2 570 B12R1.27 CCC(C)CCC1CCCCC1 CNP0595846.0 [0,1,0,1,0,0|1,0,1]=4 571 B12R1.30 C=CCCN(C)C1CCCCC1 CNP0498856.0 [0,1,0,1,0,0|2,0,0]=4 572 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,1,0,1,0,0|0,0,0]=2 573 B12R1.567 CCCCCC1=C(CCC1=O)C CNP0354329.0 [0,1,0,1,0,0|0,0,2]=4 574 B12R1.1007 N[C@H]1CCCC[C@H](CCCC1)N CNP0451180.1 [0,1,0,1,0,0|1,0,1]=4 575 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,1,0,1,0,0|1,0,0]=3 576 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,1,0,1,0,0|1,0,0]=3 577 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,1,0,1,0,0|1,0,0]=3 578 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,1,0,1,0,0|1,0,0]=3 579 B12R1.125 NC(=O)CC[C@@H]1CCCCC1=O CNP0046552.1 [0,1,0,1,0,0|1,0,1]=4 580 B12R1.125 NC(=O)CC[C@H]1CCCCC1=O CNP0046552.2 [0,1,0,1,0,0|1,0,1]=4 581 B12R1.125 O=C(O)CC[C@@H]1CCCCC1=O CNP0451054.1 [0,1,0,1,0,0|1,0,1]=4 582 B12R1.125 O=C(O)CC[C@H]1CCCCC1=O CNP0451054.2 [0,1,0,1,0,0|1,0,1]=4 583 B12R1.210 CC(C)C=C1CCCCCC1=O CNP0485302.0 [0,1,0,1,0,0|0,0,2]=4 584 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [0,1,0,1,0,0|1,0,0]=3 585 B12R1.252 CC(C)CCCC1CCCCC1 CNP0611552.0 [0,1,0,1,0,0|1,0,1]=4 586 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [0,1,0,1,0,0|0,0,0]=2 587 B12R1.255 NC(=O)CCCC[C@@H]1CCSS1 CNP0415814.1 [0,1,0,1,0,0|2,0,0]=4 588 B12R1.255 NC(=O)CCCC[C@H]1CCSS1 CNP0415814.2 [0,1,0,1,0,0|2,0,0]=4 589 B12R1.255 O=C(O)CCCC[C@@H]1C=CCC1 CNP0267651.1 [0,1,0,1,0,0|0,0,2]=4 590 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 CNP0120491.1 [0,1,0,1,0,0|2,0,0]=4 591 B12R1.255 O=C(O)CCCC[C@H]1C=CCC1 CNP0267651.2 [0,1,0,1,0,0|0,0,2]=4 592 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 CNP0120491.2 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.229 O=C1CCCC[C@H]2[C@@H]1CCC2 CNP0201109.1 [0,0,0,2,0,0|0,0,0]=2 594 B12R2.41 C1CCC2=NCCCN2CC1 CNP0138756.0 [0,0,0,2,0,0|2,0,0]=4 595 B12R2.24 CC1CCC2CCCCC2C1 CNP0076199.0 [0,0,0,2,0,0|1,0,1]=4 596 B12R2.24 CN1CC[C@@H]2CCCC[C@H]2C1 CNP0420807.1 [0,0,0,2,0,0|2,0,0]=4 597 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|0,0,2]=4 598 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,2,0,0|1,0,0]=3 599 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,2,0,0|1,0,0]=3 600 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,2,0,0|1,0,0]=3 601 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,2,0,0|1,0,0]=3 602 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,2,0,0|1,0,0]=3 603 B12R2.1081 CC1CCCC2C1CCCC2 CNP0271648.0 [0,0,0,2,0,0|1,0,1]=4 604 B12R2.1081 N[C@H]1CCC[C@H]2[C@@H]1CCCC2 CNP0128742.1 [0,0,0,2,0,0|1,0,1]=4 605 B12R2.2412 CC12CCCCC1CCCC2 CNP0603618.0 [0,0,0,2,0,0|1,0,1]=4 606 B12R2.2412 [O-][N+]12CCCCC1CCCC2 CNP0480336.0 [0,0,0,2,0,0|1,0,1]=4 607 B12R2.97 C1=CCCC2CCC2CCC1 CNP0506065.0 [0,0,0,2,0,0|1,0,0]=3