0 B10R0.71 C#CC=CC#CCCCCC CNP0547253.0 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,0,0,0,0,0|1,0,3]=4 3 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,0,0,0,0,0|1,0,1]=2 4 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,0,0,0,0,0|1,0,3]=4 5 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,0,0,0,0,0|1,0,3]=4 6 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.71 CCC=CCC=CCCCO CNP0129828.0 [0,0,0,0,0,0|0,0,4]=4 9 B10R0.71 CCC=CCCCC=CCO CNP0166267.0 [0,0,0,0,0,0|0,0,4]=4 10 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,0,0,0,0,0|1,0,2]=3 11 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.71 CCCC#CC#CC=CCO CNP0140972.0 [0,0,0,0,0,0|0,0,4]=4 13 B10R0.71 CCCC=CC#CC=CCO CNP0251903.0 [0,0,0,0,0,0|0,0,4]=4 14 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [0,0,0,0,0,0|0,0,4]=4 15 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [0,0,0,0,0,0|0,0,4]=4 19 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,0,0,0,0,0|0,0,2]=2 20 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [0,0,0,0,0,0|0,0,0]=0 21 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,0,0,0,0,0|0,0,4]=4 22 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,0,0,0,0,0|0,0,2]=2 23 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,0,0,0,0,0|0,0,2]=2 24 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [0,0,0,0,0,0|0,0,4]=4 25 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,0,0,0,0,0|0,0,4]=4 26 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,0,0,0,0,0|0,0,2]=2 27 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,0,0,0,0,0|1,0,3]=4 28 B10R0.71 CCCCCCCCCCO CNP0305576.0 [0,0,0,0,0,0|0,0,4]=4 29 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,0,0,0,0,0|0,0,3]=4 30 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,0,0,0,0|0,0,2]=3 31 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,0,0,0,0|0,0,0]=1 33 B9R0.45 CC=CCSSCCCC CNP0548815.0 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [1,0,0,0,0,0|0,0,3]=4 35 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [1,0,0,0,0,0|0,0,3]=4 36 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|0,0,2]=3 37 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,0,0,0,0|0,0,2]=3 39 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,0,0,0,0,0|0,0,2]=3 40 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [1,0,0,0,0,0|0,0,0]=1 41 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|0,0,2]=3 42 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,0,0,0,0|0,0,1]=2 43 B9R0.45 CCCCCCC#CCO CNP0485953.0 [1,0,0,0,0,0|0,0,3]=4 44 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|0,0,2]=3 45 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|0,0,1]=2 46 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,0,0,0,0|0,0,2]=3 47 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,0,0,0,0,0|1,0,2]=4 48 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,0,0,0,0|0,0,3]=4 49 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [0,1,0,0,0,0|1,0,1]=3 50 B11R0.3 C=CCCC=CC=CCCCC CNP0508766.0 [0,1,0,0,0,0|1,0,2]=4 51 B11R0.3 C=CCCCCC=CC=CC=O CNP0137973.0 [0,1,0,0,0,0|0,0,3]=4 52 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [0,1,0,0,0,0|1,0,2]=4 53 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [0,1,0,0,0,0|1,0,2]=4 54 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [0,1,0,0,0,0|1,0,2]=4 55 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [0,1,0,0,0,0|0,0,2]=3 56 B11R0.3 CCCCCC=CCCCCC CNP0563337.0 [0,1,0,0,0,0|1,0,2]=4 57 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [0,1,0,0,0,0|0,0,2]=3 58 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,1,0,0,0,0|0,0,3]=4 59 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [0,1,0,0,0,0|0,0,2]=3 60 B11R0.3 OCC=CC=CC#CCCCO CNP0267969.0 [0,1,0,0,0,0|0,0,2]=3 61 B11R0.4 C/C=C/C=C/CC[C@H](O)CCC CNP0425665.1 [0,1,0,0,0,0|1,0,2]=4 62 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,1,0,0,0,0|2,0,0]=3 63 B11R0.4 CCCCCC=CC(C)CCO CNP0003544.0 [0,1,0,0,0,0|0,0,2]=3 64 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [0,1,0,0,0,0|0,0,2]=3 65 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,1,0,0,0,0|1,0,2]=4 66 B11R0.40 CCC=CCCCCC(C)CC CNP0546883.0 [0,1,0,0,0,0|1,0,2]=4 67 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,1,0,0,0,0|2,0,1]=4 69 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [0,1,0,0,0,0|1,0,2]=4 70 B11R0.140 CCCC=CC(=O)OCCCC CNP0076599.0 [0,1,0,0,0,0|2,0,1]=4 71 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [0,1,0,0,0,0|2,0,1]=4 72 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [0,1,0,0,0,0|2,0,1]=4 73 B11R0.148 CCC=CCC=CC=CC(=O)O CNP0120995.0 [0,1,0,0,0,0|0,0,3]=4 74 B11R0.148 CCCC/C=C\CCC[C@@H](C)O CNP0328991.1 [0,1,0,0,0,0|1,0,2]=4 75 B11R0.148 CCCC=CC=CC=CC(=O)O CNP0201761.0 [0,1,0,0,0,0|0,0,3]=4 76 B11R0.148 CCCCCC=CC=CC(=O)N CNP0278760.0 [0,1,0,0,0,0|0,0,2]=3 77 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,1,0,0,0,0|0,0,1]=2 78 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,1,0,0,0,0|0,0,3]=4 79 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,1,0,0,0,0|0,0,3]=4 80 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,1,0,0,0,0|0,0,3]=4 81 B11R1.4 CCC=CC=CC1CC=CC1 CNP0269945.0 [0,0,0,1,0,0|1,0,2]=4 82 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [0,0,0,1,0,0|1,0,2]=4 83 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [0,0,0,1,0,0|0,0,2]=3 84 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [0,0,0,1,0,0|0,1,2]=4 85 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,0,0,1,0,0|1,0,2]=4 86 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,0,0,1,0,0|0,0,2]=3 87 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,0,0,1,0,0|1,0,2]=4 88 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,0,0,1,0,0|1,0,2]=4 89 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,0,0,1,0,0|1,0,2]=4 90 B11R1.18 CCCCN1C=CC=C1C=O CNP0278806.0 [0,0,0,1,0,0|1,0,2]=4 91 B11R1.28 CC=CC=CC1=NCCCC1 CNP0411181.0 [0,0,0,1,0,0|2,0,1]=4 92 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [0,0,0,1,0,0|1,0,2]=4 93 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,0,0,1,0,0|1,0,1]=3 94 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,0,0,1,0,0|1,0,1]=3 95 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,0,0,1,0,0|1,0,0]=2 96 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,0,0,1,0,0|2,0,0]=3 97 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [0,0,0,1,0,0|1,0,2]=4 98 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [0,0,0,1,0,0|2,0,1]=4 99 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,0,0,1,0,0|1,0,2]=4 100 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,0,0,1,0,0|2,0,1]=4 101 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,0,0,1,0,0|2,0,1]=4 102 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,0,0,1,0,0|2,0,1]=4 103 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,0,0,1,0,0|2,0,1]=4 104 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,0,0,1,0,0|2,0,1]=4 105 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,0,0,1,0,0|2,0,1]=4 106 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [0,0,0,1,0,0|1,0,2]=4 107 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [0,0,0,1,0,0|1,0,2]=4 108 B11R1.229 C=C[C@@H]1C[C@H]1/C=C/C=C\CC CNP0189866.2 [0,0,0,1,0,0|1,0,2]=4 109 B11R1.229 C=C[C@H]1C[C@@H]1/C=C/C=C/CC CNP0189866.4 [0,0,0,1,0,0|1,0,2]=4 110 B11R1.229 C=C[C@H]1C[C@@H]1/C=C/C=C\CC CNP0189866.1 [0,0,0,1,0,0|1,0,2]=4 111 B11R1.229 C=C[C@H]1C[C@H]1/C=C/C=C\CC CNP0189866.3 [0,0,0,1,0,0|1,0,2]=4 112 B8R0.4 C=CC=CCCCCC CNP0389218.0 [2,0,0,0,0,0|0,0,0]=2 113 B8R0.4 C=CCCCCCCC CNP0317850.0 [2,0,0,0,0,0|0,0,2]=4 114 B8R0.4 CC=C=CCCCCC CNP0555445.0 [2,0,0,0,0,0|0,0,1]=3 115 B8R0.4 CC=CC#CCCCC CNP0343796.0 [2,0,0,0,0,0|0,0,2]=4 116 B8R0.4 CC=CC=CCCCO CNP0492923.0 [2,0,0,0,0,0|1,0,0]=3 117 B8R0.4 CC=CCCC=CCO CNP0076887.0 [2,0,0,0,0,0|0,0,2]=4 118 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,1]=3 119 B8R0.4 CC=CCCCCCO CNP0534658.0 [2,0,0,0,0,0|1,0,1]=4 120 B8R0.4 CC=CSSCCCC CNP0612155.0 [2,0,0,0,0,0|2,0,0]=4 121 B8R0.4 CCC=CC=CCCO CNP0339953.0 [2,0,0,0,0,0|0,0,2]=4 122 B8R0.4 CCC=CCC=CCO CNP0338368.0 [2,0,0,0,0,0|0,0,2]=4 123 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|0,0,1]=3 124 B8R0.4 CCC=CCCCCO CNP0192139.0 [2,0,0,0,0,0|1,0,1]=4 125 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [2,0,0,0,0,0|0,0,2]=4 126 B8R0.4 CCCC=CC=CCO CNP0175481.0 [2,0,0,0,0,0|0,0,0]=2 127 B8R0.4 CCCC=CCCCC CNP0594829.0 [2,0,0,0,0,0|0,0,2]=4 128 B8R0.4 CCCC=CCCCO CNP0085599.0 [2,0,0,0,0,0|0,0,2]=4 129 B8R0.4 CCCCC=CCC=O CNP0207183.0 [2,0,0,0,0,0|0,0,2]=4 130 B8R0.4 CCCCC=CCCO CNP0221419.0 [2,0,0,0,0,0|0,0,1]=3 131 B8R0.4 CCCCC=COC=O CNP0604660.0 [2,0,0,0,0,0|1,0,1]=4 132 B8R0.4 CCCCCC=CC=O CNP0192932.0 [2,0,0,0,0,0|0,0,1]=3 133 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|0,0,0]=2 134 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,1]=3 135 B8R0.4 CCCCCCC=NO CNP0389770.0 [2,0,0,0,0,0|1,0,1]=4 136 B8R0.4 CCCCCCCCO CNP0368614.0 [2,0,0,0,0,0|0,0,2]=4 137 B10R0.1 CCCC=CCC(C)CCC CNP0147977.0 [1,1,0,0,0,0|0,0,2]=4 138 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [1,1,0,0,0,0|2,0,0]=4 139 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [1,1,0,0,0,0|0,0,2]=4 140 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [1,1,0,0,0,0|0,0,1]=3 141 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,1,0,0,0,0|0,0,2]=4 142 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,1,0,0,0,0|0,0,1]=3 143 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,1,0,0,0,0|1,0,0]=3 144 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,1,0,0,0,0|0,0,1]=3 145 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,1,0,0,0,0|0,0,2]=4 146 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,1,0,0,0,0|0,0,2]=4 147 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,1,0,0,0,0|0,0,1]=3 148 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [1,1,0,0,0,0|0,0,1]=3 149 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [1,1,0,0,0,0|1,0,0]=3 150 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,1,0,0,0,0|0,0,1]=3 151 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [1,1,0,0,0,0|0,0,2]=4 152 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [1,1,0,0,0,0|0,0,1]=3 153 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [1,1,0,0,0,0|0,0,0]=2 154 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [1,1,0,0,0,0|0,0,2]=4 155 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [1,1,0,0,0,0|0,0,2]=4 156 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,2,0,0,0,0|1,0,1]=4 157 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,2,0,0,0,0|1,0,1]=4 158 B12R0.5 C=CCC=CCC=CCCCCC CNP0246182.0 [0,2,0,0,0,0|1,0,0]=3 159 B12R0.5 C=CCCCCCC=CC=CC=O CNP0223164.0 [0,2,0,0,0,0|0,0,2]=4 160 B12R0.5 CC=CCCC=CCCC=CCO CNP0586993.0 [0,2,0,0,0,0|0,0,2]=4 161 B12R0.5 CCC=CC=CCCCCCCO CNP0161971.0 [0,2,0,0,0,0|1,0,0]=3 162 B12R0.5 CCC=CCC=CCC=CCCO CNP0085415.0 [0,2,0,0,0,0|0,0,2]=4 163 B12R0.5 CCCC=CC=CCC=CCCO CNP0357697.0 [0,2,0,0,0,0|0,0,2]=4 164 B12R0.5 CCCCC=CC=CCCCCO CNP0227671.0 [0,2,0,0,0,0|0,0,2]=4 165 B12R0.5 CCCCCC=CCC=CCCO CNP0286324.0 [0,2,0,0,0,0|0,0,0]=2 166 B12R0.5 CCCCCC=CCCC=CC=O CNP0168017.0 [0,2,0,0,0,0|0,0,2]=4 167 B12R0.5 CCCCCCC=CC=CC=CO CNP0355741.0 [0,2,0,0,0,0|0,0,1]=3 168 B12R0.5 CCCCCCC=CC=CCCO CNP0364661.0 [0,2,0,0,0,0|0,0,0]=2 169 B12R0.5 CCCCCCCC=CC=CC=O CNP0081684.0 [0,2,0,0,0,0|0,0,2]=4 170 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [0,2,0,0,0,0|0,0,2]=4 171 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [0,2,0,0,0,0|0,0,2]=4 172 B12R0.47 CCC=CCOC(=O)CCCCC CNP0003217.0 [0,2,0,0,0,0|1,0,1]=4 173 B12R0.47 CCCC=COC(=O)CCCCC CNP0547534.0 [0,2,0,0,0,0|1,0,1]=4 174 B12R0.234 CCCCCC/C=C/C=C/[C@H](C)N CNP0115359.1 [0,2,0,0,0,0|1,0,0]=3 175 B12R0.234 CCCCCC/C=C\C=C\[C@H](C)N CNP0115359.2 [0,2,0,0,0,0|1,0,0]=3 176 B12R0.234 CCCCCCC=CC=CC(C)C CNP0218670.0 [0,2,0,0,0,0|1,0,0]=3 177 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,2,0,0,0,0|0,0,1]=3 178 B12R0.4 CCCCCC=CC(=CC(=O)O)C CNP0489537.0 [0,2,0,0,0,0|0,0,1]=3 179 B12R0.4 CCCCCC=CC(=O)NC(C)C CNP0179463.0 [0,2,0,0,0,0|2,0,0]=4 180 B12R0.277 CCOC(=O)/C=C/CCC[C@H](C)O CNP0117476.1 [0,2,0,0,0,0|2,0,0]=4 181 B12R0.142 CCCCCC(=O)CCC(=O)CO CNP0102753.0 [0,2,0,0,0,0|0,0,2]=4 182 B12R0.184 CCC(O)C=CC=CC=CC(C)O CNP0086243.0 [0,2,0,0,0,0|0,0,2]=4 183 B12R0.95 CCCC[C@@H](O)/C=C/C=C/C(=O)O CNP0078690.2 [0,2,0,0,0,0|0,0,1]=3 184 B12R0.95 CCCC[C@H](O)/C=C/C=C/C(=O)O CNP0078690.1 [0,2,0,0,0,0|0,0,1]=3 185 B12R0.268 C[C@@H](O)CCC/C=C/C=C/C(=O)O CNP0351979.1 [0,2,0,0,0,0|0,0,1]=3 186 B12R0.268 C[C@@H](O)CCC/C=C/C=C\C(=O)O CNP0351979.2 [0,2,0,0,0,0|0,0,1]=3 187 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,0,0,1,0,0|0,0,2]=4 188 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,0,0,1,0,0|0,0,2]=4 189 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [1,0,0,1,0,0|0,0,2]=4 190 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,1,0,0|0,0,2]=4 191 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,1,0,0|1,0,1]=4 192 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,1,0,0|2,0,0]=4 193 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,0,0,1,0,0|0,0,2]=4 194 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,0,0,1,0,0|0,0,2]=4 195 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [1,0,0,1,0,0|0,0,2]=4 196 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,0,0,1,0,0|0,0,0]=2 197 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [1,0,0,1,0,0|0,1,0]=3 198 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [1,0,0,1,0,0|1,0,0]=3 199 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [1,0,0,1,0,0|1,0,0]=3 200 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [1,0,0,1,0,0|1,1,0]=4 201 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|0,0,2]=4 202 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,1,0,1,0,0|1,0,1]=4 203 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [0,1,0,1,0,0|2,0,0]=4 204 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,1,0,1,0,0|1,0,1]=4 205 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,1,0,1,0,0|1,0,1]=4 206 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [0,1,0,1,0,0|0,0,2]=4 207 B12R1.45 CCCCCC1=C(N=CO1)CC CNP0002749.0 [0,1,0,1,0,0|2,0,0]=4 208 B12R1.45 CCCCCN1C=CC=C1C=O CNP0230031.0 [0,1,0,1,0,0|0,0,2]=4 209 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|2,0,0]=4 210 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,1,0,1,0,0|0,0,1]=3 211 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,1,0,1,0,0|1,0,1]=4 212 B12R1.141 C[C@H]1CCC/C=C/C=C\C(=O)O1 CNP0395842.1 [0,1,0,1,0,0|0,0,1]=3 213 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,1,0,1,0,0|1,0,1]=4 214 B12R1.542 CCCC1=CC=CC(=C1CO)O CNP0514197.0 [0,1,0,1,0,0|0,0,2]=4 215 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,1,0,1,0,0|1,0,1]=4 216 B12R1.1 CCCCCC1=COC(=O)C=C1 CNP0537996.0 [0,1,0,1,0,0|2,0,0]=4 217 B12R1.25 CCCCC1=CC=CC(=C1O)C CNP0087721.0 [0,1,0,1,0,0|0,0,2]=4 218 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,1,0,0|1,0,1]=4 219 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,1,0,0|1,0,1]=4 220 B12R1.455 CCCCCC1=CC=C(O1)C=O CNP0197928.0 [0,1,0,1,0,0|0,0,2]=4 221 B12R1.455 CCCCCC1=NC(=CS1)CC CNP0126161.0 [0,1,0,1,0,0|2,0,0]=4 222 B12R1.477 CCC(C)CN=CC1=CC=CO1 CNP0429593.0 [0,1,0,1,0,0|1,0,1]=4 223 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,1,0,1,0,0|1,0,1]=4 224 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [0,1,0,1,0,0|0,0,1]=3 225 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,1,0,0|0,0,2]=4 226 B12R1.255 CC(C)CCN=CC1=CC=CO1 CNP0434350.0 [0,1,0,1,0,0|1,0,1]=4 227 B12R2.2 C1=COC(=C1)C2=NCCCC2 CNP0002566.0 [0,0,0,2,0,0|1,0,1]=4 228 B12R2.229 C[C@H]1CCC=CC2=CCC[C@H]12 CNP0428500.1 [0,0,0,2,0,0|1,0,0]=3 229 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,0,0,2,0,0|0,0,2]=4