0 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.148 CCC=CCC=CC=CC(=O)O CNP0120995.0 [0,0,0,0,0,0|0,0,4]=4 4 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,0,0,0,0,0|0,0,4]=4 5 B11R0.148 CCCC#CC#CC=CC(=O)O CNP0157957.0 [0,0,0,0,0,0|0,0,4]=4 6 B11R0.148 CCCC=CC=CC=CC(=O)O CNP0201761.0 [0,0,0,0,0,0|0,0,4]=4 7 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,0,0,0,0,0|0,0,4]=4 8 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,0,0,0,0,0|0,0,4]=4 9 B11R0.148 CCCCCC=CC=CC(=O)N CNP0278760.0 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,0,0,0,0,0|0,0,4]=4 12 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,0,0,0,0,0|0,0,2]=2 13 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,0,0,0,0,0|1,0,0]=1 15 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,0,0,0,0,0|1,0,0]=1 16 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,0,0,0,0,0|0,0,0]=0 17 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,0,0,0,0,0|2,0,1]=3 18 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,0,0,0,0,0|0,0,2]=2 22 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,0,0,0,0,0|0,1,2]=3 23 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,0,0,0,0,0|0,0,3]=3 24 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,0,0,0,0,0|0,0,3]=3 25 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,0,0,0,0,0|0,0,3]=3 26 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,0,0,0,0,0|0,0,3]=3 27 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,0,0,0,0,0|0,0,3]=3 28 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,0,0,0,0,0|1,0,3]=4 29 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,0,0,0,0,0|1,0,3]=4 30 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,0,0,0,0,0|2,0,1]=3 31 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,0,0,0,0,0|1,0,2]=3 35 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,0,0,0,0,0|1,0,3]=4 38 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [1,0,0,0,0,0|0,0,3]=4 39 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [1,0,0,0,0,0|0,0,3]=4 40 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [1,0,0,0,0,0|0,0,3]=4 42 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [1,0,0,0,0,0|0,0,2]=3 43 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [1,0,0,0,0,0|0,0,2]=3 44 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,0,0,0,0,0|0,0,3]=4 45 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,0,0,0,0,0|1,0,2]=4 46 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,0,0,0,0,0|0,0,2]=3 47 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,0,0,0,0,0|1,0,0]=2 49 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,0,0,0,0,0|1,0,0]=2 50 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,0,0,0,0,0|1,0,0]=2 51 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,0,0,0,0,0|0,0,0]=1 52 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [1,0,0,0,0,0|1,0,1]=3 53 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,0,0,0,0,0|1,0,1]=3 54 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,0,0,0,0,0|1,0,1]=3 55 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,0,0,0,0,0|1,0,1]=3 56 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,0,0,0,0,0|0,0,1]=2 57 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,0,0,0,0,0|2,0,0]=3 60 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,0,0,0,0,0|1,0,1]=3 62 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,0,0,0,0,0|1,0,1]=3 65 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,0,0,0,0,0|1,0,1]=3 66 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,0,0,0,0|1,0,2]=4 67 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,0,0,0,0,0|1,0,2]=4 68 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [1,0,0,0,0,0|0,0,2]=3 69 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|1,0,2]=4 70 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.71 CCC=CCCCC=CCO CNP0166267.0 [1,0,0,0,0,0|0,0,3]=4 72 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,0,0,0,0,0|1,0,1]=3 73 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,0,0,0,0,0|2,0,1]=4 74 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [1,0,0,0,0,0|0,0,2]=3 75 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [1,0,0,0,0,0|0,0,3]=4 76 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,0,0,0,0,0|0,0,3]=4 77 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [1,0,0,0,0,0|0,0,3]=4 78 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,0,0,0,0,0|0,0,0]=1 79 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,0,0,0,0,0|0,0,1]=2 80 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,0,0,0,0,0|1,0,1]=3 81 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|0,0,2]=3 82 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|0,0,3]=4 83 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,0,0,0,0|1,0,1]=3 84 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [1,0,0,0,0,0|2,0,1]=4 85 B12R0.4 CCCCCC=CC(=CC(=O)O)C CNP0489537.0 [0,1,0,0,0,0|0,0,2]=3 86 B12R0.4 CCCCCCC=C(C)CC(=O)O CNP0186143.0 [0,1,0,0,0,0|0,0,2]=3 87 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,1,0,0,0,0|0,0,1]=2 88 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,1,0,0,0,0|2,0,0]=3 89 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,1,0,0,0,0|0,0,2]=3 90 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,1,0,0,0,0|2,0,1]=4 91 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,1,0,0,0,0|0,0,2]=3 92 B12R0.95 CCCC[C@@H](O)/C=C/C=C/C(=O)O CNP0078690.2 [0,1,0,0,0,0|0,0,2]=3 93 B12R0.95 CCCC[C@H](O)/C=C/C=C/C(=O)O CNP0078690.1 [0,1,0,0,0,0|0,0,2]=3 94 B12R0.95 CCCC[C@H](O)CCCCC(=O)O CNP0272139.1 [0,1,0,0,0,0|0,0,2]=3 95 B12R0.119 CCCCCCCCNS(=O)(=O)O CNP0459977.0 [0,1,0,0,0,0|2,0,1]=4 96 B12R0.119 CCCCCCCCOP(=O)(O)O CNP0155776.0 [0,1,0,0,0,0|2,0,1]=4 97 B12R0.119 CCCCCCCCOS(=O)(=O)O CNP0146110.0 [0,1,0,0,0,0|2,0,1]=4 98 B12R0.184 CC[C@H](C)CCCCCCC(=O)O CNP0206079.1 [0,1,0,0,0,0|0,0,2]=3 99 B12R0.184 CC[C@H](O)CCC/C=C/OC(=O)C CNP0101505.1 [0,1,0,0,0,0|2,0,1]=4 100 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [0,1,0,0,0,0|0,0,3]=4 101 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,1,0,0,0,0|0,0,3]=4 102 B12R0.233 CCCCC[C@H](O)CCCC(=O)O CNP0114225.1 [0,1,0,0,0,0|0,0,2]=3 103 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,1,0,0,0,0|0,0,3]=4 104 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,1,0,0,0,0|0,0,3]=4 105 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,1,0,0,0,0|0,0,3]=4 106 B12R0.234 CC=CCCCCC=CCC(=O)O CNP0101195.0 [0,1,0,0,0,0|0,0,2]=3 107 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,1,0,0,0,0|1,0,0]=2 108 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,1,0,0,0,0|0,0,0]=1 109 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,1,0,0,0,0|1,0,2]=4 110 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,1,0,0,0,0|0,0,2]=3 111 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,1,0,0,0,0|1,0,2]=4 112 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,1,0,0,0,0|0,0,0]=1 113 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,1,0,0,0,0|0,0,2]=3 114 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,0,0,0,0|1,0,2]=4 115 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,1,0,0,0,0|2,0,1]=4 116 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,1,0,0,0,0|0,0,2]=3 117 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,1,0,0,0,0|0,0,0]=1 118 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,1,0,0,0,0|1,0,2]=4 119 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,1,0,0,0,0|1,0,2]=4 120 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,1,0,0,0,0|0,0,2]=3 121 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,1,0,0,0,0|2,0,1]=4 122 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,1,0,0,0,0|1,0,2]=4 123 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,1,0,0,0,0|1,0,1]=3 124 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,1,0,0,0,0|0,0,1]=2 125 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,1,0,0,0,0|1,0,2]=4 126 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [0,1,0,0,0,0|0,0,2]=3 127 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [0,1,0,0,0,0|0,0,2]=3 128 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [0,1,0,0,0,0|0,0,2]=3 129 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,1,0,0,0,0|1,0,1]=3 130 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [0,1,0,0,0,0|1,0,2]=4 131 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,1,0,0,0,0|0,0,3]=4 132 B12R0.255 CCCCCCC(=O)NCC(=O)O CNP0038002.0 [0,1,0,0,0,0|1,0,2]=4 133 B12R0.255 CCCCCCC(C)CC=C(C)C CNP0591018.0 [0,1,0,0,0,0|2,0,1]=4 134 B12R0.255 O=C(O)/C=C/[C@H](O)CCCCCO CNP0219480.1 [0,1,0,0,0,0|1,0,0]=2 135 B12R0.268 CC(=O)C=CCCCC=CC(=O)O CNP0259450.0 [0,1,0,0,0,0|0,0,3]=4 136 B12R0.268 CC(=O)CCCCCC=CC(=O)O CNP0240565.0 [0,1,0,0,0,0|0,0,1]=2 137 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [0,1,0,0,0,0|1,0,2]=4 138 B12R0.268 CC(C)CCCCCCCC(=O)O CNP0109886.0 [0,1,0,0,0,0|0,0,2]=3 139 B12R0.268 C[C@@H](O)CCC/C=C/C=C/C(=O)O CNP0351979.1 [0,1,0,0,0,0|0,0,2]=3 140 B12R0.268 C[C@@H](O)CCC/C=C/C=C\C(=O)O CNP0351979.2 [0,1,0,0,0,0|0,0,2]=3 141 B12R0.268 C[C@@H](O)CCCCCCCC(=O)O CNP0241170.1 [0,1,0,0,0,0|0,0,2]=3 142 B12R0.268 C[C@H](O)CCCCC/C=C/C(=O)O CNP0140668.1 [0,1,0,0,0,0|0,0,0]=1 143 B12R0.268 O=C(O)C=CCCCCCC(=O)O CNP0140769.0 [0,1,0,0,0,0|1,0,1]=3 144 B12R0.277 CCCC(Cl)CCCCOC(=O)C CNP0522583.0 [0,1,0,0,0,0|2,0,1]=4 145 B12R0.277 CCC[C@@H](C)CCCCCC(=O)O CNP0194627.1 [0,1,0,0,0,0|0,0,2]=3 146 B12R0.277 CCC[C@@H](N)CCCCCC(=O)O CNP0362333.2 [0,1,0,0,0,0|0,0,2]=3 147 B12R0.277 CCC[C@H](C)CCCCCC(=O)O CNP0194627.2 [0,1,0,0,0,0|0,0,2]=3 148 B12R0.277 CCC[C@H](N)CCCCCC(=O)O CNP0362333.1 [0,1,0,0,0,0|0,0,2]=3 149 B12R0.277 CCC[C@H](O)CCCCCC(=O)O CNP0317739.1 [0,1,0,0,0,0|0,0,2]=3 150 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,0,0,1,0,0|0,0,2]=3 151 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,0,0,1,0,0|0,0,2]=3 152 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,0,0,1,0,0|0,0,2]=3 153 B12R1.28 CC/C=C\C[C@@H]1CC=CC(=O)O1 CNP0304703.1 [0,0,0,1,0,0|0,0,2]=3 154 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,0,0,1,0,0|0,0,2]=3 155 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,0,0,1,0,0|1,0,1]=3 156 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,0,0,1,0,0|1,0,0]=2 157 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,0,0,1,0,0|0,0,0]=1 158 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,0,0,1,0,0|0,0,2]=3 159 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,0,0,1,0,0|1,0,0]=2 160 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,0,0,1,0,0|0,0,2]=3 161 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,0,0,1,0,0|1,0,2]=4 162 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,0,0,1,0,0|1,0,2]=4 163 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,0,0,1,0,0|1,0,2]=4 164 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,0,0,1,0,0|1,0,2]=4 165 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,0,0,1,0,0|0,0,2]=3 166 B12R1.141 C[C@H]1CCC/C=C/C=C\C(=O)O1 CNP0395842.1 [0,0,0,1,0,0|0,0,2]=3 167 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,0,0,1,0,0|0,0,2]=3 168 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|0,0,0]=1 169 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [0,0,0,1,0,0|2,0,1]=4 170 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [0,0,0,1,0,0|1,0,2]=4 171 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,0,0,1,0,0|0,0,2]=3 172 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [2,0,0,0,0,0|2,0,0]=4 173 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [2,0,0,0,0,0|0,0,2]=4 174 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [2,0,0,0,0,0|0,0,2]=4 175 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [2,0,0,0,0,0|0,0,2]=4 176 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [2,0,0,0,0,0|0,0,2]=4 177 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [2,0,0,0,0,0|0,0,2]=4 178 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [2,0,0,0,0,0|1,0,0]=3 179 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [2,0,0,0,0,0|0,0,0]=2 180 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|1,0,0]=3 181 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [2,0,0,0,0,0|1,0,0]=3 182 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [2,0,0,0,0,0|1,0,0]=3 183 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|0,0,0]=2 184 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [2,0,0,0,0,0|0,0,1]=3 185 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [2,0,0,0,0,0|0,0,1]=3 186 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [2,0,0,0,0,0|0,0,1]=3 187 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [2,0,0,0,0,0|0,0,1]=3 188 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [2,0,0,0,0,0|0,0,1]=3 189 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [2,0,0,0,0,0|0,0,1]=3 190 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [2,0,0,0,0,0|1,0,1]=4 191 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [2,0,0,0,0,0|1,0,1]=4 192 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [2,0,0,0,0,0|1,0,0]=3 193 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [2,0,0,0,0,0|1,0,1]=4 194 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [2,0,0,0,0,0|2,0,0]=4 195 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [2,0,0,0,0,0|1,0,0]=3 196 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [2,0,0,0,0,0|2,0,0]=4 197 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [2,0,0,0,0,0|1,0,0]=3 198 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [2,0,0,0,0,0|1,0,1]=4 199 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [2,0,0,0,0,0|0,0,1]=3 200 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [2,0,0,0,0,0|0,0,2]=4 201 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,1]=3 202 B9R0.45 C=CCCCCCCCO CNP0326407.0 [2,0,0,0,0,0|1,0,1]=4 203 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [2,0,0,0,0,0|1,0,1]=4 204 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [2,0,0,0,0,0|0,0,2]=4 205 B9R0.45 CCC=CCCCCCC CNP0223572.0 [2,0,0,0,0,0|1,0,1]=4 206 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [2,0,0,0,0,0|0,0,2]=4 207 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [2,0,0,0,0,0|0,0,2]=4 208 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [2,0,0,0,0,0|0,0,0]=2 209 B9R0.45 CCCCCCC=CCO CNP0303395.0 [2,0,0,0,0,0|0,0,1]=3 210 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [2,0,0,0,0,0|0,0,1]=3 211 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,0]=2 212 B9R0.45 CCCCCCCC=NO CNP0247046.0 [2,0,0,0,0,0|1,0,0]=3 213 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,1]=3 214 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|0,0,2]=4 215 B9R0.45 CCCCCCCNC=O CNP0503918.0 [2,0,0,0,0,0|1,0,0]=3 216 B9R0.45 CCCCCCCOC=O CNP0272781.0 [2,0,0,0,0,0|1,0,0]=3 217 B9R0.45 CSCCCCCC=NO CNP0405939.0 [2,0,0,0,0,0|2,0,0]=4 218 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [1,1,0,0,0,0|0,0,0]=2 219 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [1,1,0,0,0,0|2,0,0]=4 220 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [1,1,0,0,0,0|0,0,1]=3 221 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [1,1,0,0,0,0|2,0,0]=4 222 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [1,1,0,0,0,0|0,0,1]=3 223 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [1,1,0,0,0,0|1,0,1]=4 224 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [1,1,0,0,0,0|0,0,1]=3 225 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [1,1,0,0,0,0|0,0,2]=4 226 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [1,1,0,0,0,0|0,0,1]=3 227 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [1,1,0,0,0,0|1,0,1]=4 228 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [1,1,0,0,0,0|1,0,0]=3 229 B11R0.40 C#CC(O)C=CCCCCCC CNP0540636.0 [1,1,0,0,0,0|1,0,1]=4 230 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [1,1,0,0,0,0|1,0,1]=4 231 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [1,1,0,0,0,0|0,0,2]=4 232 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [1,1,0,0,0,0|0,0,2]=4 233 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [1,1,0,0,0,0|0,0,2]=4 234 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [1,1,0,0,0,0|0,0,0]=2 235 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [1,1,0,0,0,0|1,0,1]=4 236 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [1,1,0,0,0,0|0,0,1]=3 237 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [1,1,0,0,0,0|2,0,0]=4 238 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [1,1,0,0,0,0|1,0,1]=4 239 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [1,1,0,0,0,0|1,0,0]=3 240 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [1,1,0,0,0,0|1,0,1]=4 241 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [1,1,0,0,0,0|0,0,1]=3 242 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [1,1,0,0,0,0|0,0,1]=3 243 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [1,1,0,0,0,0|0,0,1]=3 244 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [1,1,0,0,0,0|0,0,1]=3 245 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [1,1,0,0,0,0|1,0,0]=3 246 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [1,1,0,0,0,0|1,0,1]=4 247 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [1,1,0,0,0,0|1,0,1]=4 248 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [1,1,0,0,0,0|0,0,1]=3 249 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [1,1,0,0,0,0|0,0,2]=4 250 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,1,0,0,0,0|0,0,1]=3 251 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [1,1,0,0,0,0|0,0,0]=2 252 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [1,1,0,0,0,0|0,0,0]=2 253 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [1,1,0,0,0,0|0,0,0]=2 254 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [1,1,0,0,0,0|0,0,0]=2 255 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [1,1,0,0,0,0|0,0,0]=2 256 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [1,1,0,0,0,0|0,0,1]=3 257 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [1,1,0,0,0,0|2,0,0]=4 258 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [1,1,0,0,0,0|2,0,0]=4 259 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [1,1,0,0,0,0|0,0,1]=3 260 B11R0.176 CCCC(O)C=CC=CC(=O)O CNP0073641.0 [1,1,0,0,0,0|0,0,2]=4 261 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [1,1,0,0,0,0|0,0,0]=2 262 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [1,1,0,0,0,0|1,0,1]=4 263 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [1,1,0,0,0,0|1,0,1]=4 264 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,1,0,0,0,0|1,0,1]=4 265 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [1,1,0,0,0,0|0,0,1]=3 266 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [1,1,0,0,0,0|1,0,0]=3 267 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,1,0,0,0,0|1,0,1]=4 268 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [1,1,0,0,0,0|1,0,1]=4 269 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,1,0,0,0,0|1,0,1]=4 270 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [1,1,0,0,0,0|0,0,1]=3 271 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [1,1,0,0,0,0|0,0,1]=3 272 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [1,1,0,0,0,0|0,0,2]=4 273 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [1,1,0,0,0,0|0,0,0]=2 274 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [1,1,0,0,0,0|0,0,1]=3 275 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,1,0,0,0,0|1,0,1]=4 276 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,1,0,0,0,0|0,0,2]=4 277 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [1,1,0,0,0,0|1,0,1]=4 278 B11R0.4 C/C=C/C=C/CC[C@H](O)CCC CNP0425665.1 [1,1,0,0,0,0|1,0,1]=4 279 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [1,1,0,0,0,0|2,0,0]=4 280 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [1,1,0,0,0,0|1,0,1]=4 281 B11R0.81 CC=CCC(C)CCCCCC CNP0482426.0 [1,1,0,0,0,0|1,0,1]=4 282 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [1,1,0,0,0,0|1,0,1]=4 283 B13R0.178 CC(=CC(=O)O)CCCCCC(=O)O CNP0291632.0 [0,2,0,0,0,0|1,0,1]=4 284 B13R0.274 CCCCCCC=C(C)CC(=O)OC CNP0372183.0 [0,2,0,0,0,0|0,0,2]=4 285 B13R0.274 CCCCCCC[C@H](O)CC(=O)OC CNP0172127.1 [0,2,0,0,0,0|0,0,2]=4 286 B13R0.333 CCCCC[C@@H](O)C[C@@H](O)CC(=O)O CNP0387353.1 [0,2,0,0,0,0|0,0,2]=4 287 B13R0.333 CCCCC[C@@H](O)C[C@H](O)CC(=O)O CNP0387353.3 [0,2,0,0,0,0|0,0,2]=4 288 B13R0.333 CCCCC[C@H](O)C[C@@H](O)CC(=O)O CNP0387353.2 [0,2,0,0,0,0|0,0,2]=4 289 B13R0.333 CCCCC[C@H](O)C[C@H](O)CC(=O)O CNP0387353.4 [0,2,0,0,0,0|0,0,2]=4 290 B13R0.335 CC(=O)OC(=O)CCCCCCCO CNP0220022.0 [0,2,0,0,0,0|2,0,0]=4 291 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [0,2,0,0,0,0|0,0,2]=4 292 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [0,2,0,0,0,0|0,0,2]=4 293 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [0,2,0,0,0,0|0,0,2]=4 294 B13R0.71 CCC(C)CC(C)C=CC=CC(=O)O CNP0433435.0 [0,2,0,0,0,0|0,0,2]=4 295 B13R0.117 CCCC[C@H](C)CCC[C@@H](C)C(=O)O CNP0329412.1 [0,2,0,0,0,0|0,0,2]=4 296 B13R0.182 CC(C)CCCC[C@H](C)CCC(=O)O CNP0425887.1 [0,2,0,0,0,0|0,0,2]=4 297 B13R0.182 C[C@@H](O)CC[C@@H](O)/C=C/C=C\C(=O)O CNP0209701.1 [0,2,0,0,0,0|0,0,2]=4 298 B13R0.182 O=C(O)/C=C/[C@@H](O)CCCCC(=O)O CNP0247397.1 [0,2,0,0,0,0|1,0,1]=4 299 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,2,0,0,0,0|0,0,2]=4 300 B13R0.204 CC[C@H](C)CCCCC[C@@H](C)C(=O)O CNP0108831.1 [0,2,0,0,0,0|0,0,2]=4 301 B13R0.208 CCC(C)CCCC(C)CCC(=O)O CNP0018012.0 [0,2,0,0,0,0|0,0,2]=4 302 B13R0.1 CCCCCC[C@@H](O)C/C=C/C(=O)O CNP0159289.2 [0,2,0,0,0,0|0,0,0]=2 303 B13R0.1 CCCCCC[C@H](O)C/C=C/C(=O)O CNP0159289.1 [0,2,0,0,0,0|0,0,0]=2 304 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,2,0,0,0,0|0,0,2]=4 305 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,2,0,0,0,0|0,0,2]=4 306 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,2,0,0,0,0|0,0,2]=4 307 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,2,0,0,0,0|0,0,2]=4 308 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,2,0,0,0,0|0,0,2]=4 309 B13R0.54 CCCCCC=CC=CC=CC(=O)O CNP0003430.0 [0,2,0,0,0,0|0,0,2]=4 310 B13R0.54 CCCCCC=CCCC=CC(=O)O CNP0290016.0 [0,2,0,0,0,0|0,0,0]=2 311 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,2,0,0,0,0|0,0,2]=4 312 B13R0.54 CCCCCCC=CC=NNC(=O)N CNP0343057.0 [0,2,0,0,0,0|1,0,1]=4 313 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,2,0,0,0,0|0,0,2]=4 314 B13R0.54 CCCCCCCC=CC=CC(=O)N CNP0402877.0 [0,2,0,0,0,0|1,0,0]=3 315 B13R0.54 CCCCCCCC=CC=CC(=O)O CNP0115107.0 [0,2,0,0,0,0|0,0,0]=2 316 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,2,0,0,0,0|0,0,0]=2 317 B13R0.54 CCCCCCCC=CCOC(=O)C CNP0123694.0 [0,2,0,0,0,0|1,0,0]=3 318 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,2,0,0,0,0|0,0,0]=2 319 B13R0.54 CCCCCCCCC=COC(=O)C CNP0501330.0 [0,2,0,0,0,0|1,0,0]=3 320 B13R0.54 CCCCCCCCC=NNC(=O)N CNP0224908.0 [0,2,0,0,0,0|1,0,1]=4 321 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,2,0,0,0,0|1,0,0]=3 322 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,2,0,0,0,0|0,0,0]=2 323 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,2,0,0,0,0|0,0,2]=4 324 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,2,0,0,0,0|0,0,2]=4 325 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,2,0,0,0,0|0,0,2]=4 326 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,2,0,0,0,0|0,0,2]=4 327 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,2,0,0,0,0|0,0,2]=4 328 B13R0.147 CCCCCCC=CC=CC(=O)OC CNP0612143.0 [0,2,0,0,0,0|0,0,1]=3 329 B13R0.147 CCCCCCCC=CCC(=O)CC CNP0527148.0 [0,2,0,0,0,0|1,0,0]=3 330 B13R0.147 CCCCCCCCC#CC(=O)OC CNP0140131.0 [0,2,0,0,0,0|0,0,2]=4 331 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,2,0,0,0,0|0,0,0]=2 332 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [0,2,0,0,0,0|1,0,1]=4 333 B13R0.147 CCCCCCCCCC=C(Cl)CO CNP0255372.0 [0,2,0,0,0,0|1,0,1]=4 334 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,2]=4 335 B13R0.147 COC(=O)C=CCCCCCCCO CNP0218428.0 [0,2,0,0,0,0|0,0,0]=2 336 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,2,0,0,0,0|0,0,2]=4 337 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,2,0,0,0,0|0,0,2]=4 338 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [0,2,0,0,0,0|0,0,1]=3 339 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,2,0,0,0,0|0,0,2]=4 340 B13R0.154 CCCCCCCC(=NNC(=O)N)C CNP0190816.0 [0,2,0,0,0,0|2,0,0]=4 341 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [0,2,0,0,0,0|0,0,1]=3 342 B13R0.154 CCCCCCCC(=O)NCC(=O)O CNP0052738.0 [0,2,0,0,0,0|0,0,1]=3 343 B13R0.154 CCCCCCNC(=O)C=CC(=O)O CNP0605943.0 [0,2,0,0,0,0|0,0,1]=3 344 B13R0.154 O=C(O)/C=C/[C@H](O)CCCCCCO CNP0251669.1 [0,2,0,0,0,0|0,0,0]=2 345 B13R0.154 O=C(O)C=C[C@H](O)CCCCCCO CNP0251669.2 [0,2,0,0,0,0|0,0,0]=2 346 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,2,0,0,0,0|0,0,2]=4 347 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,2,0,0,0,0|0,0,2]=4 348 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,2,0,0,0,0|0,0,2]=4 349 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,2,0,0,0,0|0,0,2]=4 350 B13R0.179 O=C(O)C=CCCCCCCC(=O)O CNP0260900.0 [0,2,0,0,0,0|0,0,1]=3 351 B13R0.202 CC(=O)C=CCCCOCC(O)CO CNP0495816.0 [0,2,0,0,0,0|2,0,0]=4 352 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,2,0,0,0,0|0,0,2]=4 353 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,2,0,0,0,0|0,0,2]=4 354 B13R0.202 COC(=O)C=CCCCCCC(=O)C CNP0169349.0 [0,2,0,0,0,0|0,0,1]=3 355 B13R0.202 O=C(O)C=CC=CCCCC(O)CO CNP0434563.0 [0,2,0,0,0,0|0,0,2]=4 356 B13R0.2 C=COC(=O)CCCCCCCCC CNP0137792.0 [0,2,0,0,0,0|0,0,2]=4 357 B13R0.2 CCCCCC=CC=CC(=O)OCC CNP0259062.0 [0,2,0,0,0,0|0,0,2]=4 358 B13R0.2 CCCCCCCC=CC(=O)OCC CNP0323878.0 [0,2,0,0,0,0|0,0,0]=2 359 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [0,2,0,0,0,0|0,0,2]=4 360 B13R0.340 CCCCCCCC[C@@H](C)C(=O)OC CNP0315114.1 [0,2,0,0,0,0|0,0,2]=4 361 B13R0.284 CCCCCC[C@H](C)/C=C(\C)/C(=O)O CNP0544176.1 [0,2,0,0,0,0|0,0,0]=2 362 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [1,0,0,1,0,0|0,0,1]=3 363 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [1,0,0,1,0,0|1,0,1]=4 364 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [1,0,0,1,0,0|0,0,2]=4 365 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [1,0,0,1,0,0|0,0,2]=4 366 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [1,0,0,1,0,0|0,0,2]=4 367 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [1,0,0,1,0,0|0,0,0]=2 368 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [1,0,0,1,0,0|0,0,1]=3 369 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [1,0,0,1,0,0|0,0,1]=3 370 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [1,0,0,1,0,0|0,0,2]=4 371 B11R1.91 O=C(O)C=CC1=CCCCC1 CNP0158200.0 [1,0,0,1,0,0|0,0,2]=4 372 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [1,0,0,1,0,0|0,0,1]=3 373 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [1,0,0,1,0,0|0,0,0]=2 374 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [1,0,0,1,0,0|0,0,1]=3 375 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [1,0,0,1,0,0|1,0,1]=4 376 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [1,0,0,1,0,0|0,0,1]=3 377 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [1,0,0,1,0,0|0,1,1]=4 378 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [1,0,0,1,0,0|1,0,0]=3 379 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [1,0,0,1,0,0|0,0,2]=4 380 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [1,0,0,1,0,0|1,0,1]=4 381 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [1,0,0,1,0,0|0,0,0]=2 382 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [1,0,0,1,0,0|0,0,0]=2 383 B11R1.216 CCCCC1OC1C=CC=O CNP0451986.0 [1,0,0,1,0,0|1,0,0]=3 384 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [0,1,0,1,0,0|0,0,0]=2 385 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,1,0,0|0,0,2]=4 386 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,1,0,0|0,0,2]=4 387 B13R1.55 CCCCC[C@@H]1CC(=O)NC(=O)N1 CNP0368736.1 [0,1,0,1,0,0|2,0,0]=4 388 B13R1.55 CCCCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0218581.3 [0,1,0,1,0,0|0,0,2]=4 389 B13R1.55 CCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0218581.4 [0,1,0,1,0,0|0,0,2]=4 390 B13R1.55 CCCCC[C@H]1CC(=O)NC(=O)N1 CNP0368736.2 [0,1,0,1,0,0|2,0,0]=4 391 B13R1.55 CCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0218581.1 [0,1,0,1,0,0|0,0,2]=4 392 B13R1.55 CCCCC[C@H]1C[C@H](CC(=O)O1)O CNP0218581.2 [0,1,0,1,0,0|0,0,2]=4 393 B13R1.190 CCCCCCC1OC(=O)CC1C CNP0251689.0 [0,1,0,1,0,0|0,0,2]=4 394 B13R1.190 CCCCCC[C@@H]1CC(=O)CC1=O CNP0252659.1 [0,1,0,1,0,0|1,0,1]=4 395 B13R1.190 CCCCCC[C@H]1OC(=CC1=O)C CNP0175294.1 [0,1,0,1,0,0|1,0,0]=3 396 B13R1.775 C[C@@H]1CCCCC[C@@H](CC(=O)O1)O CNP0358124.2 [0,1,0,1,0,0|0,0,2]=4 397 B13R1.775 C[C@@H]1CCCCC[C@H](CC(=O)O1)O CNP0358124.1 [0,1,0,1,0,0|0,0,2]=4 398 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,1,0,1,0,0|0,0,2]=4 399 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,1,0,1,0,0|0,0,2]=4 400 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,1,0,1,0,0|0,0,2]=4 401 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,1,0,1,0,0|0,0,2]=4 402 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,1,0,1,0,0|0,0,2]=4 403 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,1,0,1,0,0|0,0,2]=4 404 B13R1.128 CC(C)CCCCC1CCC(=O)O1 CNP0213089.0 [0,1,0,1,0,0|0,0,2]=4 405 B13R1.337 NC(=O)C=CC=CC1CCCCC1 CNP0475242.0 [0,1,0,1,0,0|1,0,1]=4 406 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,1,0,1,0,0|0,0,2]=4 407 B13R1.8394 CC1CCCCC(OC(=O)CC1)C CNP0123638.0 [0,1,0,1,0,0|0,0,2]=4 408 B13R1.8394 C[C@@H]1CC/C=C/[C@H](/C=C\C(=O)O1)O CNP0229930.1 [0,1,0,1,0,0|0,0,2]=4 409 B13R1.8394 C[C@@H]1CC/C=C\[C@H](/C=C\C(=O)O1)O CNP0229930.2 [0,1,0,1,0,0|0,0,2]=4 410 B13R1.8394 C[C@@H]1CC[C@H](/C=C/C=C\C(=O)O1)O CNP0173525.1 [0,1,0,1,0,0|0,0,2]=4 411 B13R1.8394 C[C@@H]1CC[C@H](/C=C\C=C/C(=O)O1)O CNP0173525.2 [0,1,0,1,0,0|0,0,2]=4 412 B13R1.3821 CC1CCCCCCC(=O)OC1C CNP0207162.0 [0,1,0,1,0,0|0,0,2]=4 413 B13R1.23 CCCCC[C@@H](O)[C@@H]1CCC(=O)O1 CNP0381718.2 [0,1,0,1,0,0|0,0,2]=4 414 B13R1.23 CCCCC[C@@H](O)[C@H]1CCC(=O)O1 CNP0381718.3 [0,1,0,1,0,0|0,0,2]=4 415 B13R1.23 CCCCC[C@H](O)[C@@H]1CCC(=O)O1 CNP0381718.1 [0,1,0,1,0,0|0,0,2]=4 416 B13R1.23 CCCCC[C@H](O)[C@H]1CCC(=O)O1 CNP0381718.4 [0,1,0,1,0,0|0,0,2]=4 417 B13R1.149 CC(=O)CCC[C@@H]1CC=CC(=O)O1 CNP0336641.1 [0,1,0,1,0,0|0,0,1]=3 418 B13R1.149 C[C@H](O)CCCC1=CC=CC(=O)O1 CNP0297745.1 [0,1,0,1,0,0|0,0,2]=4 419 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|0,0,2]=4 420 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|0,0,2]=4 421 B13R1.6 O=C1C=CC=C(O1)CCCCCO CNP0323303.0 [0,1,0,1,0,0|0,0,2]=4 422 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,2]=4 423 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,1,0,1,0,0|0,0,2]=4 424 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [0,1,0,1,0,0|1,0,1]=4 425 B13R1.9 CCCCCCC1COC(=O)CO1 CNP0002636.0 [0,1,0,1,0,0|1,0,1]=4 426 B13R1.189 CCCCOCC1=CC=C(O1)C=O CNP0497820.0 [0,1,0,1,0,0|1,0,1]=4 427 B13R1.3688 CCCCCCC1(CCC(=O)O1)C CNP0002940.0 [0,1,0,1,0,0|0,0,2]=4 428 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 CNP0562862.1 [0,0,0,2,0,0|1,0,1]=4 429 B13R2.11877 CC(=O)C1=CC[C@H]2CC[C@@H]1N2C CNP0424974.1 [0,0,0,2,0,0|2,0,0]=4 430 B13R2.11877 CN1[C@@H]2CC=C([C@H]1CC2)C(=O)O CNP0172884.1 [0,0,0,2,0,0|1,0,0]=3 431 B13R2.4746 CC12CCCCCC1=CC(=O)C2 CNP0611867.0 [0,0,0,2,0,0|1,0,0]=3 432 B13R2.13710 CC(=O)C1=CCCC2CCC1N2 CNP0295929.0 [0,0,0,2,0,0|2,0,0]=4 433 B13R2.13710 CC(=O)C1=CCC[C@@H]2CCC1N2 CNP0295929.2 [0,0,0,2,0,0|2,0,0]=4 434 B13R2.13710 CC(=O)C1=CCC[C@H]2CC[C@@H]1N2 CNP0295929.1 [0,0,0,2,0,0|2,0,0]=4