0 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [0,0,0,0,0,0|0,0,4]=4 10 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,0,0,0,0,0|0,0,2]=2 11 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [0,0,0,0,0,0|0,0,4]=4 12 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,0,0,0,0,0|1,0,1]=2 14 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,0,0,0,0,0|1,0,3]=4 16 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,0,0,0,0,0|0,0,4]=4 17 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,0,0,0,0,0|0,0,4]=4 18 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,0,0,0,0,0|0,0,4]=4 19 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,0,0,0,0,0|0,0,4]=4 21 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,0,0,0,0,0|0,0,4]=4 22 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,0,0,0,0,0|1,0,3]=4 23 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,0,0,0,0,0|0,0,2]=2 24 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,0,0,0,0,0|1,0,3]=4 25 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,0,0,0,0,0|1,0,3]=4 26 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,0,0,0,0,0|0,0,4]=4 27 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.45 CCCCCCCNC=O CNP0503918.0 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.45 NCCCNCCCC=O CNP0100864.0 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,0,0,0,0|0,0,3]=4 34 B8R0.4 C=CCCCCCC=C CNP0320273.0 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,0,0,0,0|0,0,2]=3 36 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|0,0,3]=4 40 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,0,0,0,0,0|0,0,3]=4 41 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [1,0,0,0,0,0|0,0,2]=3 42 B8R0.4 CC=CCCC=CCO CNP0076887.0 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,0,0,0,0|0,0,0]=1 44 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,0,0,0,0|0,0,2]=3 46 B8R0.4 CC=CCSCC=CC CNP0134379.0 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,0,0,0,0,0|0,0,3]=4 48 B8R0.4 CCC=CCC=CCO CNP0338368.0 [1,0,0,0,0,0|0,0,3]=4 49 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,0,0,0,0|0,0,0]=1 50 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|0,0,1]=2 51 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|0,0,1]=2 52 B8R0.4 CCC=CCCOC=O CNP0053041.0 [1,0,0,0,0,0|1,0,0]=2 53 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,0,0,0,0|0,0,3]=4 54 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|0,0,3]=4 55 B8R0.4 CCCC=CCOC=O CNP0131807.0 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,0,0,0,0|0,0,3]=4 57 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,0,0,0,0|0,0,3]=4 58 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,0,0,0,0|0,0,3]=4 60 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,0,0,0,0|0,0,1]=2 62 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|0,0,3]=4 63 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|0,0,3]=4 65 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,0,0,0,0|0,0,1]=2 68 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,0,0,0,0|1,0,1]=3 69 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|1,0,2]=4 70 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,0,0,0,0|0,0,3]=4 72 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [0,1,0,0,0,0|1,0,2]=4 74 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,0,0,0,0|3,0,0]=4 75 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [0,1,0,0,0,0|0,0,2]=3 77 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,0,0,0,0|0,0,2]=3 78 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,0,0,0,0|0,0,2]=3 79 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [0,1,0,0,0,0|0,0,2]=3 80 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,0,0,0,0|0,0,2]=3 81 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,1,0,0,0,0|1,0,2]=4 82 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,0,0,0,0|1,0,2]=4 83 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,1,0,0,0,0|1,0,1]=3 84 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,0,0,0,0|0,0,2]=3 85 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,0,0,0,0|0,0,2]=3 86 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,0,0,0,0|0,0,2]=3 87 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,0,0,0,0|0,0,2]=3 88 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,0,0,0,0|1,0,2]=4 89 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,0,0,0,0|1,0,2]=4 90 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,0,0,0,0|1,0,2]=4 91 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,0,0,0,0|1,0,2]=4 92 B10R0.71 C=CCC=CCC=CCCO CNP0018339.0 [0,1,0,0,0,0|1,0,2]=4 93 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,1,0,0,0,0|1,0,2]=4 94 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [0,1,0,0,0,0|0,0,3]=4 96 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [0,1,0,0,0,0|1,0,2]=4 97 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [0,1,0,0,0,0|1,0,2]=4 98 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [0,1,0,0,0,0|1,0,2]=4 99 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [0,1,0,0,0,0|0,0,3]=4 100 B10R0.71 CCC=CCC=CCCCO CNP0129828.0 [0,1,0,0,0,0|0,0,3]=4 101 B10R0.71 CCC=CCCCC=CCO CNP0166267.0 [0,1,0,0,0,0|0,0,2]=3 102 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,1,0,0,0,0|1,0,1]=3 103 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,1,0,0,0,0|0,0,2]=3 104 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [0,1,0,0,0,0|0,0,0]=1 105 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,1,0,0,0,0|1,0,1]=3 106 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [0,1,0,0,0,0|0,0,2]=3 108 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,1,0,0,0,0|0,0,3]=4 109 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,1,0,0,0,0|1,0,1]=3 110 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,1,0,0,0,0|0,0,3]=4 111 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,1,0,0,0,0|0,0,3]=4 113 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [0,1,0,0,0,0|0,0,2]=3 114 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [0,1,0,0,0,0|0,0,2]=3 115 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,1,0,0,0,0|0,0,3]=4 123 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [0,1,0,0,0,0|0,0,2]=3 124 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,0,0,1,0,0|1,0,2]=4 125 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [0,0,0,1,0,0|0,0,2]=3 126 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,0,1,0,0|1,0,2]=4 127 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|0,0,0]=1 128 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|0,0,2]=3 129 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [0,0,0,1,0,0|1,0,1]=3 130 B7R0.1 C#CC=CCCCC CNP0076122.0 [2,0,0,0,0,0|0,0,2]=4 131 B7R0.1 C=CC=CCCCC CNP0084214.0 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.1 C=CCCCC=CC CNP0076717.0 [2,0,0,0,0,0|0,0,1]=3 133 B7R0.1 C=CCCCCC=C CNP0118215.0 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|0,0,2]=4 136 B7R0.1 CC=CC=CCCC CNP0275494.0 [2,0,0,0,0,0|0,0,2]=4 137 B7R0.1 CC=CCCC=CC CNP0082120.0 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|0,0,1]=3 139 B7R0.1 CC=CCSCCC CNP0536250.0 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|0,0,2]=4 141 B7R0.1 CCC=CC=CC=O CNP0276667.0 [2,0,0,0,0,0|0,0,2]=4 142 B7R0.1 CCC=CC=CCC CNP0546897.0 [2,0,0,0,0,0|0,0,2]=4 143 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|0,0,0]=2 144 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|0,0,0]=2 145 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|0,0,1]=3 146 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,2]=4 147 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|0,0,2]=4 148 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,2]=4 149 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,0]=2 152 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,2]=4 153 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,2]=4 155 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|1,0,1]=4 158 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.1 CCNCCCCN CNP0107714.0 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,1,0,0,0,0|0,0,2]=4 161 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [1,1,0,0,0,0|0,0,1]=3 163 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [1,1,0,0,0,0|0,0,2]=4 164 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [1,1,0,0,0,0|0,0,2]=4 165 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [1,1,0,0,0,0|1,0,0]=3 166 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,1,0,0,0,0|0,0,0]=2 167 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [1,1,0,0,0,0|1,0,0]=3 168 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,1,0,0,0,0|0,0,2]=4 169 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [1,1,0,0,0,0|0,0,2]=4 170 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,1,0,0,0,0|0,0,2]=4 171 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,1,0,0,0,0|0,0,1]=3 172 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,1,0,0,0,0|0,0,1]=3 173 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,1,0,0,0,0|0,0,1]=3 174 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,1,0,0,0,0|0,0,1]=3 175 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,1,0,0,0,0|0,0,1]=3 176 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,1,0,0,0,0|0,0,1]=3 177 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,1,0,0,0,0|0,0,1]=3 178 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,1,0,0,0,0|0,0,1]=3 179 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,1,0,0,0,0|0,0,1]=3 180 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,1,0,0,0,0|0,0,1]=3 181 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,1,0,0,0,0|1,0,1]=4 182 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,1,0,0,0,0|1,0,1]=4 183 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,1,0,0,0,0|2,0,0]=4 186 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [1,1,0,0,0,0|0,0,2]=4 190 B9R0.5 CC=COCC(C)CC=O CNP0595975.0 [1,1,0,0,0,0|1,0,0]=3 191 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [1,1,0,0,0,0|0,0,1]=3 192 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [1,1,0,0,0,0|0,0,1]=3 193 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,1,0,0,0,0|0,0,2]=4 194 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,1]=3 196 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,1]=3 197 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,1,0,0,0,0|1,0,1]=4 198 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|1,0,1]=4 201 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,1,0,0,0,0|0,0,2]=4 202 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,1]=3 203 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [1,1,0,0,0,0|1,0,1]=4 204 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [0,2,0,0,0,0|0,0,2]=4 205 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [0,2,0,0,0,0|0,0,2]=4 206 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,2,0,0,0,0|0,0,2]=4 207 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,2,0,0,0,0|0,0,2]=4 208 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,2,0,0,0,0|1,0,1]=4 209 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,2,0,0,0,0|0,0,2]=4 210 B11R0.174 CC(=CCCC(C)CC=O)CO CNP0506134.0 [0,2,0,0,0,0|1,0,0]=3 211 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,2,0,0,0,0|2,0,0]=4 212 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [0,2,0,0,0,0|0,0,2]=4 213 B11R0.30 CC(C)C=CCCCCC(=O)N CNP0507586.0 [0,2,0,0,0,0|0,0,0]=2 214 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [0,2,0,0,0,0|0,0,0]=2 215 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [0,2,0,0,0,0|0,0,2]=4 216 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [0,2,0,0,0,0|0,0,2]=4 217 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,2,0,0,0,0|0,0,2]=4 218 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [0,2,0,0,0,0|1,0,1]=4 219 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,2,0,0,0,0|0,0,2]=4 220 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,2,0,0,0,0|0,0,2]=4 221 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,2,0,0,0,0|0,0,2]=4 222 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,2,0,0,0,0|0,0,2]=4 223 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,2,0,0,0,0|0,0,0]=2 224 B11R0.40 CCC=CCCCCC(C)CC CNP0546883.0 [0,2,0,0,0,0|1,0,1]=4 225 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,2,0,0,0,0|0,0,2]=4 226 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,2,0,0,0,0|0,0,2]=4 227 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,2,0,0,0,0|0,0,2]=4 228 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,2,0,0,0,0|0,0,2]=4 229 B11R0.42 CCC=CCCOC(=O)C(=O)C CNP0380462.0 [0,2,0,0,0,0|1,0,1]=4 230 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,2,0,0,0,0|0,0,2]=4 231 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,2,0,0,0,0|0,0,2]=4 232 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,2,0,0,0,0|0,0,2]=4 233 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,2,0,0,0,0|0,0,2]=4 234 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,2,0,0,0,0|0,0,2]=4 235 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,2,0,0,0,0|0,0,2]=4 236 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,2,0,0,0,0|0,0,2]=4 237 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,2,0,0,0,0|1,0,1]=4 238 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [0,2,0,0,0,0|0,0,2]=4 239 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,2,0,0,0,0|0,0,2]=4 240 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [0,2,0,0,0,0|0,0,1]=3 241 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [0,2,0,0,0,0|0,0,2]=4 242 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,2,0,0,0,0|0,0,0]=2 243 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,2,0,0,0,0|0,0,0]=2 244 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,2,0,0,0,0|0,0,0]=2 245 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,2,0,0,0,0|0,0,0]=2 246 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,2,0,0,0,0|0,0,2]=4 247 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,2,0,0,0,0|0,0,2]=4 248 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,2,0,0,0,0|0,0,2]=4 249 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,2,0,0,0,0|0,0,2]=4 250 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,2,0,0,0,0|0,0,2]=4 251 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,2,0,0,0,0|0,0,2]=4 252 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,2,0,0,0,0|0,0,2]=4 253 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,2,0,0,0,0|0,0,2]=4 254 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,2,0,0,0,0|0,0,2]=4 255 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,2,0,0,0,0|0,0,2]=4 256 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,2,0,0,0,0|0,0,2]=4 257 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,2,0,0,0,0|0,0,2]=4 258 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,2,0,0,0,0|0,0,2]=4 259 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,2,0,0,0,0|0,0,2]=4 260 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,2,0,0,0,0|0,0,2]=4 261 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,2,0,0,0,0|0,0,2]=4 262 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [0,2,0,0,0,0|0,0,2]=4 263 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [0,2,0,0,0,0|0,0,2]=4 264 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [0,2,0,0,0,0|1,0,1]=4 265 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [0,2,0,0,0,0|0,0,2]=4 266 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,2,0,0,0,0|0,0,2]=4 267 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,2,0,0,0,0|0,0,2]=4 268 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [0,2,0,0,0,0|0,0,2]=4 269 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [0,2,0,0,0,0|0,0,2]=4 270 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [0,2,0,0,0,0|1,0,1]=4 271 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,1]=3 272 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|1,0,1]=4 273 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,1,0,0|1,0,1]=4 274 B9R1.8 CC#CC1=CCCCC1 CNP0572321.0 [1,0,0,1,0,0|0,0,2]=4 275 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [1,0,0,1,0,0|1,0,1]=4 276 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|0,0,1]=3 277 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,1,0,0|1,0,1]=4 278 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,1,0,0|1,0,1]=4 279 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,1,0,0|1,0,1]=4 280 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [1,0,0,1,0,0|2,0,0]=4 281 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [1,0,0,1,0,0|1,0,1]=4 282 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [1,0,0,1,0,0|0,0,1]=3 283 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [1,0,0,1,0,0|0,0,1]=3 284 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,1]=3 285 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|1,0,1]=4 286 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|1,0,1]=4 287 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,1]=3 288 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|0,0,2]=4 289 B11R1.123 CC1=C([C@H](CC1)CC=O)C=O CNP0250604.1 [0,1,0,1,0,0|1,0,1]=4 290 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,1,0,0|0,0,2]=4 291 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|0,0,2]=4 292 B11R1.229 C=C[C@@H]1C[C@H]1/C=C/C=C\CC CNP0189866.2 [0,1,0,1,0,0|1,0,1]=4 293 B11R1.229 C=C[C@H]1C[C@@H]1/C=C/C=C/CC CNP0189866.4 [0,1,0,1,0,0|1,0,1]=4 294 B11R1.229 C=C[C@H]1C[C@@H]1/C=C/C=C\CC CNP0189866.1 [0,1,0,1,0,0|1,0,1]=4 295 B11R1.229 C=C[C@H]1C[C@H]1/C=C/C=C\CC CNP0189866.3 [0,1,0,1,0,0|1,0,1]=4 296 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [0,1,0,1,0,0|0,0,2]=4 297 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,1,0,1,0,0|0,0,0]=2 298 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [0,1,0,1,0,0|0,0,2]=4 299 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,1,0,0|0,0,2]=4 300 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,1,0,0|0,0,2]=4 301 B11R1.86 CC(C)C=C1CCCCC1=O CNP0492949.0 [0,1,0,1,0,0|0,0,0]=2 302 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,1,0,1,0,0|0,0,2]=4 303 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,1,0,1,0,0|0,0,0]=2 304 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,1,0,1,0,0|0,0,0]=2 305 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,1,0,1,0,0|0,0,2]=4 306 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [0,1,0,1,0,0|0,0,2]=4 307 B11R1.17 CCNC=C1CCCCC1=O CNP0145902.0 [0,1,0,1,0,0|0,0,0]=2 308 B11R1.18 C=C[C@@H]1CC=C[C@@H]1/C=C/CC CNP0290702.4 [0,1,0,1,0,0|1,0,1]=4 309 B11R1.18 C=C[C@@H]1CC=C[C@@H]1/C=C\CC CNP0290702.2 [0,1,0,1,0,0|1,0,1]=4 310 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C/CC CNP0336549.1 [0,1,0,1,0,0|1,0,0]=3 311 B11R1.18 C=C[C@@H]1CCC[C@@H]1/C=C\CC CNP0336549.2 [0,1,0,1,0,0|1,0,0]=3 312 B11R1.18 C=C[C@H]1CC=C[C@@H]1/C=C\CC CNP0290702.1 [0,1,0,1,0,0|1,0,1]=4 313 B11R1.18 C=C[C@H]1CC=C[C@H]1/C=C/CC CNP0290702.3 [0,1,0,1,0,0|1,0,1]=4 314 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [0,1,0,1,0,0|1,0,1]=4 315 B11R1.28 O=CCCCC1CCNCC1 CNP0601651.0 [0,1,0,1,0,0|0,0,2]=4 316 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [0,1,0,1,0,0|1,0,1]=4 317 B11R1.203 CC/C=C/[C@@H]1C=CCC=CC1 CNP0245637.1 [0,1,0,1,0,0|1,0,1]=4 318 B11R1.203 CC/C=C/[C@H]1C=CCC=CC1 CNP0245637.3 [0,1,0,1,0,0|1,0,1]=4 319 B11R1.203 CC/C=C\[C@@H]1C=CCC=CC1 CNP0245637.2 [0,1,0,1,0,0|1,0,1]=4 320 B11R1.203 CC/C=C\[C@H]1C=CCC=CC1 CNP0245637.4 [0,1,0,1,0,0|1,0,1]=4 321 B11R1.222 CCC(C)C1CCCCC1=O CNP0002485.0 [0,1,0,1,0,0|0,0,2]=4 322 B11R1.228 CCC(=O)N[C@H]1CCSC1=O CNP0531335.1 [0,1,0,1,0,0|2,0,0]=4 323 B11R1.182 CN=CC1=C(CCC(C1)C)N CNP0345011.0 [0,1,0,1,0,0|2,0,0]=4 324 B11R1.605 CN=CC1=C(CCCC1=O)O CNP0473584.0 [0,1,0,1,0,0|1,0,1]=4 325 B11R2.20 C1=CC2CC=CCC2CC1 CNP0611429.0 [0,0,0,2,0,0|1,0,0]=3 326 B11R2.20 C1CCC2=C(C1)CCCC2 CNP0246589.0 [0,0,0,2,0,0|1,0,1]=4 327 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,2,0,0|0,0,2]=4 328 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|0,0,0]=2 329 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|1,0,1]=4 330 B11R2.635 CCC=C1C2C1CCCC2 CNP0517847.0 [0,0,0,2,0,0|1,0,1]=4 331 B11R2.350 CC=CC1C2C1C(=O)CC2 CNP0611323.0 [0,0,0,2,0,0|0,0,2]=4