0 B18R0.221 C=CCCCCCCCCCCCCCCCC=O CNP0425284.0 [0,0,0,0,0,0|1,0,3]=4 1 B18R0.221 C=CCCCCCCCCCCCCCCCCC CNP0397638.0 [0,0,0,0,0,0|1,0,1]=2 2 B18R0.221 C=COCCCCCCCCCCCCCCCC CNP0017602.0 [0,0,0,0,0,0|2,0,1]=3 3 B18R0.221 CC=CCCCCCCCCCCCCCCC=O CNP0095871.0 [0,0,0,0,0,0|1,0,3]=4 4 B18R0.221 CCCCC=CCCCCCCCCCCCC=O CNP0194996.0 [0,0,0,0,0,0|1,0,3]=4 5 B18R0.221 CCCCC=CCCCCCCCCCCCCC CNP0076108.0 [0,0,0,0,0,0|1,0,2]=3 6 B18R0.221 CCCCC=CCCCCCCCCCCCCO CNP0244254.0 [0,0,0,0,0,0|1,0,2]=3 7 B18R0.221 CCCCCCC=CCCCCCCCCCC#N CNP0231149.0 [0,0,0,0,0,0|0,0,4]=4 8 B18R0.221 CCCCCCC=CCCCCCCCCCC=O CNP0386248.0 [0,0,0,0,0,0|1,0,3]=4 9 B18R0.221 CCCCCCC=CCCCCCCCCCCC CNP0160025.0 [0,0,0,0,0,0|1,0,2]=3 10 B18R0.221 CCCCCCC=CCCCCCCCCCCO CNP0133144.0 [0,0,0,0,0,0|1,0,2]=3 11 B18R0.221 CCCCCCCC=CCCCCCCCCCC CNP0018741.0 [0,0,0,0,0,0|1,0,2]=3 12 B18R0.221 CCCCCCCCC=CCCCCCCCC#N CNP0306708.0 [0,0,0,0,0,0|0,0,4]=4 13 B18R0.221 CCCCCCCCC=CCCCCCCCC=O CNP0241623.0 [0,0,0,0,0,0|1,0,3]=4 14 B18R0.221 CCCCCCCCC=CCCCCCCCCC CNP0151766.0 [0,0,0,0,0,0|1,0,2]=3 15 B18R0.221 CCCCCCCCC=CCCCCCCCCCl CNP0579852.0 [0,0,0,0,0,0|1,0,2]=3 16 B18R0.221 CCCCCCCCC=CCCCCCCCCO CNP0282006.0 [0,0,0,0,0,0|1,0,2]=3 17 B18R0.221 CCCCCCCCCCCC#CCCCCC#N CNP0601052.0 [0,0,0,0,0,0|0,0,4]=4 18 B18R0.221 CCCCCCCCCCCCCC=CCCCO CNP0611432.0 [0,0,0,0,0,0|1,0,2]=3 19 B18R0.221 CCCCCCCCCCCCCCCC=CC=O CNP0124730.0 [0,0,0,0,0,0|1,0,3]=4 20 B18R0.221 CCCCCCCCCCCCCCCCC=NO CNP0234975.0 [0,0,0,0,0,0|2,0,1]=3 21 B18R0.221 CCCCCCCCCCCCCCCCCC#N CNP0270491.0 [0,0,0,0,0,0|0,0,2]=2 22 B18R0.221 CCCCCCCCCCCCCCCCCC=O CNP0111144.0 [0,0,0,0,0,0|1,0,1]=2 23 B18R0.221 CCCCCCCCCCCCCCCCCCC CNP0355992.0 [0,0,0,0,0,0|1,0,0]=1 24 B18R0.221 CCCCCCCCCCCCCCCCCCCl CNP0079875.0 [0,0,0,0,0,0|1,0,0]=1 25 B18R0.221 CCCCCCCCCCCCCCCCCCI CNP0496328.0 [0,0,0,0,0,0|1,0,0]=1 26 B18R0.221 CCCCCCCCCCCCCCCCCCO CNP0192475.0 [0,0,0,0,0,0|1,0,0]=1 27 B18R0.221 CCCCCCCCCCCCCCCCCCS CNP0417550.0 [0,0,0,0,0,0|1,0,0]=1 28 B18R0.221 CCCCCCCCCCCCCCCCOC=O CNP0610768.0 [0,0,0,0,0,0|2,0,1]=3 29 B18R0.221 NCCCCNCCCNCCCCNCCCN CNP0127134.0 [0,0,0,0,0,0|4,0,0]=4 30 B18R0.221 OCCCCCCCCCCCCCCCCCO CNP0176846.0 [0,0,0,0,0,0|2,0,0]=2 31 B17R0.117 C#CCCCCCCCCCCCCCCCC CNP0537981.0 [1,0,0,0,0,0|0,0,2]=3 32 B17R0.117 C=CCCCCCCCCCCCCCCCC CNP0120235.0 [1,0,0,0,0,0|0,0,2]=3 33 B17R0.117 CCC=CCCCCCCCCCCCCCC CNP0125159.0 [1,0,0,0,0,0|0,0,2]=3 34 B17R0.117 CCCC#CCCCCCCCCCCCCO CNP0172721.0 [1,0,0,0,0,0|1,0,2]=4 35 B17R0.117 CCCCC=CCCCCCCCCCCCC CNP0277379.0 [1,0,0,0,0,0|0,0,2]=3 36 B17R0.117 CCCCCC=CCCCCCCCCCCO CNP0216177.0 [1,0,0,0,0,0|1,0,2]=4 37 B17R0.117 CCCCCCCCC#CCCCCCCCC CNP0550696.0 [1,0,0,0,0,0|0,0,2]=3 38 B17R0.117 CCCCCCCCC=CCCCCCCCC CNP0077007.0 [1,0,0,0,0,0|0,0,2]=3 39 B17R0.117 CCCCCCCCCCCCCCCCC#N CNP0157550.0 [1,0,0,0,0,0|0,0,2]=3 40 B17R0.117 CCCCCCCCCCCCCCCCC=O CNP0188255.0 [1,0,0,0,0,0|1,0,1]=3 41 B17R0.117 CCCCCCCCCCCCCCCCCC CNP0316858.0 [1,0,0,0,0,0|0,0,0]=1 42 B17R0.117 CCCCCCCCCCCCCCCCCO CNP0226027.0 [1,0,0,0,0,0|1,0,0]=2 43 B17R0.117 CCCCCCCCCCCCCCCC[14CH2]O CNP0601499.0 [1,0,0,0,0,0|1,0,0]=2 44 B17R0.117 OCCCCCCCCCCCCCCCCO CNP0114182.0 [1,0,0,0,0,0|2,0,0]=3 45 B17R0.117 [CH2]CCCCCCCCCCCCCCCCC CNP0523804.0 [1,0,0,0,0,0|0,0,1]=2 46 B19R0.36 C#CCCCCCCCCCCCCCCCCCC CNP0610570.0 [0,1,0,0,0,0|1,0,0]=2 47 B19R0.36 C=CCC=CCCCCCCCCCCCCCCC CNP0138225.0 [0,1,0,0,0,0|1,0,2]=4 48 B19R0.36 C=CCCCCCCCCCCCCCCCCC=C CNP0305614.0 [0,1,0,0,0,0|1,0,2]=4 49 B19R0.36 C=CCCCCCCCCCCCCCCCCCC CNP0209183.0 [0,1,0,0,0,0|1,0,0]=2 50 B19R0.36 CCC#CCCCCCCCCCCCCCCCC CNP0188326.0 [0,1,0,0,0,0|1,0,1]=3 51 B19R0.36 CCC=CCCCCCCCCCCCCCCCC CNP0314255.0 [0,1,0,0,0,0|1,0,1]=3 52 B19R0.36 CCCC=CCCCCCCCCCCCCCCC CNP0227589.0 [0,1,0,0,0,0|1,0,1]=3 53 B19R0.36 CCCCC#CCCCCCCCCCCCCCC CNP0215367.0 [0,1,0,0,0,0|1,0,1]=3 54 B19R0.36 CCCCC#CCCCCCCCCCOCCCC CNP0250099.0 [0,1,0,0,0,0|1,0,2]=4 55 B19R0.36 CCCCC=CCCCCCCCCCCCCCC CNP0601871.0 [0,1,0,0,0,0|1,0,1]=3 56 B19R0.36 CCCCCCCC#CCCCCCCCCCCC CNP0111287.0 [0,1,0,0,0,0|1,0,1]=3 57 B19R0.36 CCCCCCCCC#CCCCCCCCCCC CNP0076311.0 [0,1,0,0,0,0|1,0,1]=3 58 B19R0.36 CCCCCCCCC=CCCCCCCCCCC CNP0434731.0 [0,1,0,0,0,0|1,0,1]=3 59 B19R0.36 CCCCCCCCCC=CCCCCCCCCC CNP0229641.0 [0,1,0,0,0,0|1,0,1]=3 60 B19R0.36 CCCCCCCCCCCCCC=CCCCCO CNP0565524.0 [0,1,0,0,0,0|1,0,1]=3 61 B19R0.36 CCCCCCCCCCCCCCCCCCC#N CNP0018010.0 [0,1,0,0,0,0|0,0,1]=2 62 B19R0.36 CCCCCCCCCCCCCCCCCCC=O CNP0181983.0 [0,1,0,0,0,0|1,0,0]=2 63 B19R0.36 CCCCCCCCCCCCCCCCCCCC CNP0228467.0 [0,1,0,0,0,0|1,0,0]=2 64 B19R0.36 CCCCCCCCCCCCCCCCCCCO CNP0322716.0 [0,1,0,0,0,0|1,0,0]=2 65 B19R0.36 CCCCCCCCCCCCCCCCCCNC CNP0085634.0 [0,1,0,0,0,0|0,0,0]=1 66 B19R0.36 NCCCCNCCCCNCCCNCCCCN CNP0139735.0 [0,1,0,0,0,0|3,0,0]=4 67 B19R0.36 O=C=CCCCCCCCCCCCCCCCCO CNP0300555.0 [0,1,0,0,0,0|1,0,2]=4 68 B19R0.36 OCCCCCCCCC=CCCCCCCCCO CNP0185927.0 [0,1,0,0,0,0|1,0,2]=4 69 B19R0.36 OCCCCCCCCCCCCCCCCCCO CNP0228062.0 [0,1,0,0,0,0|1,0,0]=2 70 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC CNP0180209.0 [0,1,0,0,0,0|2,0,1]=4 71 B19R0.148 CCCCCCCCCCCCCCCCC(Br)C=O CNP0576081.0 [0,1,0,0,0,0|1,0,1]=3 72 B19R0.148 CCCCCCCCCCCCCCCCC(C)CC CNP0496090.0 [0,1,0,0,0,0|1,0,0]=2 73 B19R0.148 CCCCCCCCCCCCCCCCN(O)N=O CNP0316464.0 [0,1,0,0,0,0|3,0,0]=4 74 B19R0.148 CCCCCCCCCCCCCCCC[C@H](C)CO CNP0242923.1 [0,1,0,0,0,0|1,0,0]=2 75 B19R0.148 CCCCCCCCCCCCCCCC[C@H](O)CO CNP0333048.1 [0,1,0,0,0,0|1,0,0]=2 76 B19R0.148 CCCCCCCCCCCCCCCC[N+](=NO)[O-] CNP0485227.0 [0,1,0,0,0,0|3,0,0]=4 77 B19R0.148 CCCCCCCCCCCCCCCOC(=O)CCl CNP0526120.0 [0,1,0,0,0,0|2,0,1]=4 78 B19R0.148 CCCCCCCCCCCCCCOC[C@@H](O)CO CNP0376887.1 [0,1,0,0,0,0|2,0,0]=3 79 B19R0.148 CC[C@H](C)CCCCCCCCCCCCCCCO CNP0219365.1 [0,1,0,0,0,0|1,0,0]=2 80 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO CNP0363217.0 [0,1,0,0,0,0|2,0,1]=4 81 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N CNP0300480.0 [0,1,0,0,0,0|0,0,3]=4 82 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)N CNP0513665.0 [0,1,0,0,0,0|0,0,3]=4 83 B19R0.149 CCCCCCCCCCCC=CCCCCC(C)C CNP0600767.0 [0,1,0,0,0,0|1,0,2]=4 84 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C CNP0183458.0 [0,1,0,0,0,0|1,0,1]=3 85 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl CNP0204030.0 [0,1,0,0,0,0|1,0,1]=3 86 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N CNP0310603.0 [0,1,0,0,0,0|0,0,1]=2 87 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CNP0396081.0 [0,1,0,0,0,0|1,0,1]=3 88 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0484762.0 [0,1,0,0,0,0|1,0,1]=3 89 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0494283.0 [0,1,0,0,0,0|1,0,1]=3 90 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0502253.0 [0,1,0,0,0,0|1,0,1]=3 91 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0540571.0 [0,1,0,0,0,0|1,0,1]=3 92 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0556098.0 [0,1,0,0,0,0|1,0,1]=3 93 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0558494.0 [0,1,0,0,0,0|1,0,1]=3 94 B19R0.149 CCCCCCCCCCCCCCCCCC(C)C CNP0163624.0 [0,1,0,0,0,0|1,0,0]=2 95 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N CNP0076433.0 [0,1,0,0,0,0|0,0,0]=1 96 B19R0.149 CCCCCCCCCCCCCCCCC[14C](=O)O CNP0516392.0 [0,1,0,0,0,0|1,0,1]=3 97 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C CNP0407720.0 [0,1,0,0,0,0|2,0,1]=4 98 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO CNP0308287.0 [0,1,0,0,0,0|2,0,1]=4 99 B19R0.182 CCCCCCCCCCCCCCCC(=O)CCO CNP0593211.0 [0,1,0,0,0,0|1,0,1]=3 100 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC CNP0001274.0 [0,1,0,0,0,0|2,0,1]=4 101 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC CNP0248873.0 [0,1,0,0,0,0|2,0,1]=4 102 B19R0.182 CCCCCCCCCCCCCCC[C@H](O)CCO CNP0128115.1 [0,1,0,0,0,0|1,0,0]=2 103 B19R0.9213 CCCCCCCCCCCC(=O)NCCCCCC CNP0001278.0 [0,1,0,0,0,0|2,0,1]=4 104 B19R0.9213 CCCCCCCCCCCC(=O)OCCCCCC CNP0084717.0 [0,1,0,0,0,0|2,0,1]=4 105 B19R0.18065 CCCCCCCCCCCC[C@H](C)CCCCCO CNP0267912.1 [0,1,0,0,0,0|1,0,0]=2 106 B19R0.18065 CCCCCC[C@H](C)CCCCCCCCCCCO CNP0254201.1 [0,1,0,0,0,0|1,0,0]=2 107 B19R0.18065 CCCCCC[C@H](O)CCCCCCCCCCCO CNP0086118.1 [0,1,0,0,0,0|1,0,0]=2 108 B19R0.23229 CCCCCCCCCCC(C)CCCCCCCC CNP0539069.0 [0,1,0,0,0,0|1,0,0]=2 109 B19R0.23229 CCCCCCCCCC[C@H](C)CCCCCCCO CNP0301392.1 [0,1,0,0,0,0|1,0,0]=2 110 B19R0.23229 CCCCCCCC[C@H](C)CCCCCCCCCO CNP0358636.1 [0,1,0,0,0,0|1,0,0]=2 111 B19R0.25648 CCCCCCCCCCCCCC(=O)CCCCC CNP0223222.0 [0,1,0,0,0,0|1,0,1]=3 112 B19R0.25648 CCCCCCCCCCCCCC(=O)OCCCC CNP0597100.0 [0,1,0,0,0,0|2,0,1]=4 113 B19R0.25648 CCCCCCCCCCCCCC(O)CCCCC CNP0501184.0 [0,1,0,0,0,0|1,0,0]=2 114 B19R0.26208 CCCCCCCCCC(=O)CCCCCCCCC CNP0129997.0 [0,1,0,0,0,0|1,0,1]=3 115 B19R0.26208 CCCCCCCCCC(C)CCCCCCCCC CNP0574908.0 [0,1,0,0,0,0|1,0,0]=2 116 B19R0.26208 CCCCCCCCCC(O)CCCCCCCCC CNP0152747.0 [0,1,0,0,0,0|1,0,0]=2 117 B19R0.26303 CCCCCCCCCCCCCCC(=O)CCCC CNP0601060.0 [0,1,0,0,0,0|1,0,1]=3 118 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCCO CNP0302435.0 [0,1,0,0,0,0|2,0,1]=4 119 B19R0.26303 CCCCCCCCCCCCCCC(=O)OCCC CNP0168112.0 [0,1,0,0,0,0|2,0,1]=4 120 B19R0.26303 CCCCCCCCCCCCCCC(C)CCCO CNP0135884.0 [0,1,0,0,0,0|1,0,0]=2 121 B19R0.26303 CCCCCCCCCCCCCCC(O)CCCO CNP0598935.0 [0,1,0,0,0,0|1,0,0]=2 122 B19R0.26303 CCCC[C@H](C)CCCCCCCCCCCCCO CNP0318282.1 [0,1,0,0,0,0|1,0,0]=2 123 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 CNP0360910.0 [0,0,0,1,0,0|2,0,1]=4 124 B19R1.46518 CCCCCCCCCCCCC[C@H]1CCN=C1C CNP0300502.1 [0,0,0,1,0,0|2,0,1]=4 125 B19R1.46520 CCCCCCCCCCCCCCCC[C@@H]1CO1 CNP0419266.1 [0,0,0,1,0,0|1,0,0]=2 126 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O CNP0002809.0 [0,0,0,1,0,0|1,0,1]=3 127 B16R0.303 C=CCCCCCCCCCCCCCCC CNP0172069.0 [2,0,0,0,0,0|0,0,2]=4 128 B16R0.303 CCC=CCCCCCCCCCCCCC CNP0237923.0 [2,0,0,0,0,0|0,0,2]=4 129 B16R0.303 CCCCCC=CCCCCCCCCCC CNP0199300.0 [2,0,0,0,0,0|0,0,2]=4 130 B16R0.303 CCCCCCC=CCCCCCCCCC CNP0179983.0 [2,0,0,0,0,0|0,0,2]=4 131 B16R0.303 CCCCCCCC=CCCCCCCCC CNP0163594.0 [2,0,0,0,0,0|0,0,2]=4 132 B16R0.303 CCCCCCCCCCCCCCCC#N CNP0079880.0 [2,0,0,0,0,0|0,0,2]=4 133 B16R0.303 CCCCCCCCCCCCCCCC=O CNP0198736.0 [2,0,0,0,0,0|1,0,1]=4 134 B16R0.303 CCCCCCCCCCCCCCCCC CNP0342809.0 [2,0,0,0,0,0|0,0,0]=2 135 B16R0.303 CCCCCCCCCCCCCCCCI CNP0086206.0 [2,0,0,0,0,0|1,0,0]=3 136 B16R0.303 CCCCCCCCCCCCCCCCN CNP0611705.0 [2,0,0,0,0,0|0,0,0]=2 137 B16R0.303 CCCCCCCCCCCCCCCCO CNP0187598.0 [2,0,0,0,0,0|1,0,0]=3 138 B16R0.303 CCCCCCCCNCCCCCCCC CNP0081956.0 [2,0,0,0,0,0|1,0,0]=3 139 B16R0.303 CCCCCCCCOCCCCCCCC CNP0215186.0 [2,0,0,0,0,0|1,0,0]=3 140 B18R0.110 CCC=C(C)CCCCCCCCCCCCCC CNP0198344.0 [1,1,0,0,0,0|0,0,2]=4 141 B18R0.110 CCCC(O)CCCCCCCCCCCCCO CNP0078098.0 [1,1,0,0,0,0|1,0,0]=3 142 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC CNP0185766.0 [1,1,0,0,0,0|1,0,1]=4 143 B18R0.110 CCC[C@H](C)CCCCCCCCCCCCCO CNP0170580.1 [1,1,0,0,0,0|1,0,0]=3 144 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC CNP0555630.0 [1,1,0,0,0,0|0,0,1]=3 145 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC CNP0177929.0 [1,1,0,0,0,0|1,0,1]=4 146 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC CNP0274232.0 [1,1,0,0,0,0|1,0,1]=4 147 B18R0.171 CCCCCCCCCCCCCCC[14C](=O)OC CNP0506860.0 [1,1,0,0,0,0|1,0,1]=4 148 B18R0.171 CCCCCCCCCCCCCCC[C@@H](O)CC CNP0356214.1 [1,1,0,0,0,0|0,0,0]=2 149 B18R0.171 CCCCCCCCCCCCCCC[C@@H](O)CN CNP0275256.1 [1,1,0,0,0,0|0,0,0]=2 150 B18R0.171 CCCCCCCCCCCCCCC[C@H](C)CC CNP0332851.1 [1,1,0,0,0,0|0,0,0]=2 151 B18R0.171 CCCCCCCCCCCCCCC[C@H](C)CO CNP0311251.1 [1,1,0,0,0,0|1,0,0]=3 152 B18R0.171 CCCCCCCCCCCCCOC[C@@H](O)CO CNP0182348.1 [1,1,0,0,0,0|2,0,0]=4 153 B18R0.176 CC(C)CCCCCCCCCCCCCCCO CNP0206908.0 [1,1,0,0,0,0|1,0,0]=3 154 B18R0.176 CCCCCCCCCCCCCCCCC(=O)C CNP0296335.0 [1,1,0,0,0,0|0,0,1]=3 155 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N CNP0176457.0 [1,1,0,0,0,0|0,0,1]=3 156 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O CNP0215617.0 [1,1,0,0,0,0|1,0,1]=4 157 B18R0.176 CCCCCCCCCCCCCCCCC(C)C CNP0298379.0 [1,1,0,0,0,0|0,0,0]=2 158 B18R0.176 CCCCCCCCCCCCCCCCN(C)C CNP0610107.0 [1,1,0,0,0,0|1,0,0]=3 159 B18R0.176 CCCCCCCCCCCCCCCC[11C](=O)O CNP0486039.0 [1,1,0,0,0,0|1,0,1]=4 160 B18R0.176 CCCCCCCCCCCCCCCC[C@H](C)O CNP0200264.1 [1,1,0,0,0,0|0,0,0]=2 161 B18R0.3155 C=CCCCCCCCCCCC[C@H](C)CCCC CNP0250444.1 [1,1,0,0,0,0|0,0,2]=4 162 B18R0.3155 CCCCCCCCCCC/C=C/[C@H](O)CCCC CNP0132573.1 [1,1,0,0,0,0|0,0,2]=4 163 B18R0.3155 CCCCCCCCCCCC=CC(O)CCCC CNP0132573.0 [1,1,0,0,0,0|0,0,2]=4 164 B18R0.3155 CCCCCCCCCCCC=C[C@H](O)CCCC CNP0132573.2 [1,1,0,0,0,0|0,0,2]=4 165 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCC CNP0610537.0 [1,1,0,0,0,0|1,0,1]=4 166 B18R0.3155 CCCCCCCCCCCCCC(C)CCCC CNP0561751.0 [1,1,0,0,0,0|0,0,0]=2 167 B18R0.3155 CCCCCCCCCCCCCC(O)CCCC CNP0076934.0 [1,1,0,0,0,0|0,0,0]=2 168 B18R0.3155 CCCCCCCCCCCCC[C@H](C)CCCO CNP0147257.1 [1,1,0,0,0,0|1,0,0]=3 169 B18R0.7792 CCCCCCCCCCCC(=O)CCCCCC CNP0569613.0 [1,1,0,0,0,0|0,0,1]=3 170 B18R0.11621 CCCCCCCCC=C(C)CCCCCCCC CNP0228304.0 [1,1,0,0,0,0|0,0,2]=4 171 B18R0.11621 CCCCCCCCCC(O)CCCCCCCC CNP0076334.0 [1,1,0,0,0,0|0,0,0]=2 172 B18R0.11621 CCCCCCCCCC(O)CCCCCCCO CNP0103717.0 [1,1,0,0,0,0|1,0,0]=3 173 B18R0.11621 CCCCCCCCC[C@H](C)CCCCCCCO CNP0207137.1 [1,1,0,0,0,0|1,0,0]=3 174 B18R0.11621 OCCCCCCCC[C@H](O)CCCCCCCO CNP0344029.1 [1,1,0,0,0,0|2,0,0]=4 175 B18R0.17438 CCCCCCCCCCC(=O)CCCCCCC CNP0478847.0 [1,1,0,0,0,0|0,0,1]=3 176 B18R0.17438 CCCCCCCCCOC(=O)CCCCCCC CNP0181924.0 [1,1,0,0,0,0|1,0,1]=4 177 B18R0.17438 CCCCCCC[C@H](C)CCCCCCCCCO CNP0247294.1 [1,1,0,0,0,0|1,0,0]=3 178 B18R0.17438 OCCCCCCCCC[C@H](O)CCCCCCO CNP0425870.1 [1,1,0,0,0,0|2,0,0]=4 179 B18R0.19788 CCCCCCCCCCCCC(=O)OCCCC CNP0563565.0 [1,1,0,0,0,0|1,0,1]=4 180 B18R0.19788 CCCCCCCCCCCC[C@H](C)CCCCC CNP0275742.1 [1,1,0,0,0,0|0,0,0]=2 181 B18R0.19788 CCCCC[C@H](C)CCCCCCCCCCCO CNP0170179.1 [1,1,0,0,0,0|1,0,0]=3 182 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC CNP0158535.0 [0,2,0,0,0,0|1,0,1]=4 183 B20R0.2932 C=CCCCCCCCCCCCCCCCCCCC CNP0103978.0 [0,2,0,0,0,0|1,0,0]=3 184 B20R0.2932 CCCCC=CCCCCCCCCCCCCCC=O CNP0276797.0 [0,2,0,0,0,0|1,0,1]=4 185 B20R0.2932 CCCCC=CCCCCCCCCCCCCCCO CNP0162241.0 [0,2,0,0,0,0|1,0,0]=3 186 B20R0.2932 CCCCCCC#CCCCCCCCCCCCCC CNP0588721.0 [0,2,0,0,0,0|1,0,0]=3 187 B20R0.2932 CCCCCCCCC=CCCCCCCCCCCC CNP0086164.0 [0,2,0,0,0,0|1,0,0]=3 188 B20R0.2932 CCCCCCCCC=CCCCCCCCCCCO CNP0261137.0 [0,2,0,0,0,0|1,0,0]=3 189 B20R0.2932 CCCCCCCCCC=CCCCCCCCCCC CNP0578389.0 [0,2,0,0,0,0|1,0,0]=3 190 B20R0.2932 CCCCCCCCCC=CCCCCCCCCCO CNP0225629.0 [0,2,0,0,0,0|1,0,0]=3 191 B20R0.2932 CCCCCCCCCCCCCCCCCC=CC=O CNP0075986.0 [0,2,0,0,0,0|1,0,1]=4 192 B20R0.2932 CCCCCCCCCCCCCCCCCCC=CO CNP0062889.0 [0,2,0,0,0,0|1,0,0]=3 193 B20R0.2932 CCCCCCCCCCCCCCCCCCCC=O CNP0281472.0 [0,2,0,0,0,0|1,0,0]=3 194 B20R0.2932 CCCCCCCCCCCCCCCCCCCCC CNP0342329.0 [0,2,0,0,0,0|1,0,0]=3 195 B20R0.2932 CCCCCCCCCCCCCCCCCCCCCl CNP0598514.0 [0,2,0,0,0,0|1,0,0]=3 196 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO CNP0220937.0 [0,2,0,0,0,0|1,0,0]=3 197 B20R0.2932 CCCCCCCCCCOCCCCCCCCCC CNP0420480.0 [0,2,0,0,0,0|1,0,0]=3 198 B20R0.2932 CCCCCCNCCCCCCCNCCCNCC CNP0514062.0 [0,2,0,0,0,0|2,0,0]=4 199 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC CNP0105908.0 [0,2,0,0,0,0|1,0,1]=4 200 B20R0.3034 CCCCCCCCCCCCCCCCC[C@@H](C)CC CNP0245561.2 [0,2,0,0,0,0|1,0,0]=3 201 B20R0.3034 CCCCCCCCCCCCCCCCC[C@H](C)CC CNP0245561.1 [0,2,0,0,0,0|1,0,0]=3 202 B20R0.3034 CCCCCCCCCCCCCCCCC[C@H](O)CO CNP0331092.1 [0,2,0,0,0,0|1,0,0]=3 203 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC CNP0610568.0 [0,2,0,0,0,0|1,0,1]=4 204 B20R0.3034 CCCCCCCCCCCCCCCOC[C@@H](O)CO CNP0051617.1 [0,2,0,0,0,0|1,0,0]=3 205 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO CNP0188999.0 [0,2,0,0,0,0|1,0,1]=4 206 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C CNP0393947.0 [0,2,0,0,0,0|1,0,0]=3 207 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O CNP0364249.0 [0,2,0,0,0,0|1,0,0]=3 208 B20R0.31940 CCCCCCCCCCCCCCCCCCC(C)C CNP0081952.0 [0,2,0,0,0,0|1,0,0]=3 209 B20R0.31940 CCCCCCCCCCCCCCCCCC[C@H](C)O CNP0149819.1 [0,2,0,0,0,0|1,0,0]=3 210 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C CNP0524205.0 [0,2,0,0,0,0|1,0,1]=4 211 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO CNP0156319.0 [0,2,0,0,0,0|1,0,1]=4 212 B20R0.31962 CCCCCCCCCCC(=O)OCCCCCCCC CNP0138382.0 [0,2,0,0,0,0|1,0,1]=4 213 B20R0.31962 CCCCCCCCCC[C@H](C)CCCCCCCCC CNP0207644.1 [0,2,0,0,0,0|1,0,0]=3 214 B20R0.32083 CCCC=C(C)CCCCCCCCCCCCCCC CNP0189518.0 [0,2,0,0,0,0|1,0,1]=4 215 B20R0.32083 CCCCCCCCCCCCCCCC(=O)CCCC CNP0482536.0 [0,2,0,0,0,0|1,0,0]=3 216 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCC CNP0208885.0 [0,2,0,0,0,0|1,0,1]=4 217 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO CNP0247367.0 [0,2,0,0,0,0|1,0,1]=4 218 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCC CNP0311490.0 [0,2,0,0,0,0|1,0,1]=4 219 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCO CNP0138323.0 [0,2,0,0,0,0|1,0,1]=4 220 B20R0.32083 CCCCCCCCCCCCCCOC(=O)CCCC CNP0554112.0 [0,2,0,0,0,0|1,0,1]=4 221 B20R0.112 CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO CNP0083591.1 [0,2,0,0,0,0|1,0,1]=4 222 B20R0.112 CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO CNP0239767.1 [0,2,0,0,0,0|1,0,0]=3 223 B20R0.112 CCCCCCCCCCCCCCC[C@@H](O)[C@H](N)CO CNP0239767.2 [0,2,0,0,0,0|1,0,0]=3 224 B20R0.112 CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO CNP0239767.3 [0,2,0,0,0,0|1,0,0]=3 225 B20R0.112 CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO CNP0239767.4 [0,2,0,0,0,0|1,0,0]=3 226 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](C)C(=O)O CNP0159210.1 [0,2,0,0,0,0|1,0,1]=4 227 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0286833.2 [0,2,0,0,0,0|1,0,1]=4 228 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](C)C(C)C CNP0547929.1 [0,2,0,0,0,0|1,0,0]=3 229 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](O)C(=O)O CNP0286833.1 [0,2,0,0,0,0|1,0,1]=4 230 B20R0.22235 CCCCCCCCCCCC[C@@H](C)CCC[C@@H](C)CC CNP0223183.1 [0,2,0,0,0,0|1,0,0]=3 231 B20R0.22235 CCCCCCCCCCCC[C@H](C)CCC[C@H](C)CC CNP0223183.2 [0,2,0,0,0,0|1,0,0]=3 232 B20R0.25987 CCC(C)CCCCCCCCCCCCCC(O)CO CNP0285083.0 [0,2,0,0,0,0|1,0,0]=3 233 B20R0.26099 CC(C)CCCCCCCCCCCCOC[C@@H](O)CO CNP0152465.1 [0,2,0,0,0,0|2,0,0]=4 234 B20R0.26099 CCC(O)CCCCCCCCCCCCCCC(=O)O CNP0216986.0 [0,2,0,0,0,0|1,0,1]=4 235 B20R0.26099 CC[C@@H](C)CCCCCCCCCCCCCCC(=O)O CNP0133830.2 [0,2,0,0,0,0|1,0,1]=4 236 B20R0.26099 CC[C@H](C)CCCCCCCCCCCCCCC(=O)O CNP0133830.1 [0,2,0,0,0,0|1,0,1]=4 237 B20R0.68 CCCCCCCC[C@@H](C)CCCCCCCCC(=O)O CNP0337860.2 [0,2,0,0,0,0|1,0,1]=4 238 B20R0.68 CCCCCCCC[C@H](C)CCCCCCCCC(=O)O CNP0337860.1 [0,2,0,0,0,0|1,0,1]=4 239 B20R0.68 CCCCCCCC[C@H](O)CCCCCCCCC(=O)O CNP0323031.1 [0,2,0,0,0,0|1,0,1]=4 240 B20R0.90 CCCCCCC(C)CCCCCCCCCCC(=O)O CNP0480239.0 [0,2,0,0,0,0|1,0,1]=4 241 B20R0.90 CCCCCC[C@@H](O)CCCCCCCCCCC(=O)O CNP0162893.2 [0,2,0,0,0,0|1,0,1]=4 242 B20R0.90 CCCCCC[C@H](O)CCCCCCCCCCC(=O)O CNP0162893.1 [0,2,0,0,0,0|1,0,1]=4 243 B20R0.484 CCC[C@H](O)CCCCCCCCCCCCCC(=O)O CNP0298036.1 [0,2,0,0,0,0|1,0,1]=4 244 B20R0.2931 CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O CNP0305153.1 [0,2,0,0,0,0|1,0,1]=4 245 B20R0.2931 CCCCCCCCCCCCCCC[C@H](O)CC(=O)O CNP0305153.2 [0,2,0,0,0,0|1,0,1]=4 246 B20R0.10422 CCCCCCCCCCC[C@H](O)CCCCCC(=O)O CNP0115210.1 [0,2,0,0,0,0|1,0,1]=4 247 B20R0.17440 CCCCCCCCC[C@@H](O)CCCCCCCC(=O)O CNP0357717.1 [0,2,0,0,0,0|1,0,1]=4 248 B20R0.17440 CCCCCCCCC[C@H](O)CCCCCCCC(=O)O CNP0357717.2 [0,2,0,0,0,0|1,0,1]=4 249 B20R0.22238 CCCCCCCCCCCC[C@H](O)CCCCC(=O)C CNP0183777.1 [0,2,0,0,0,0|1,0,1]=4 250 B20R0.32069 CCCCCCC[C@H](C)CCCCCCCCCC(=O)O CNP0042457.1 [0,2,0,0,0,0|1,0,1]=4 251 B20R0.32069 CCCCCCC[C@H](O)CCCCCCCCCC(=O)O CNP0112984.1 [0,2,0,0,0,0|1,0,1]=4 252 B20R0.32444 CCCC[C@H](O)CCCCCCCCCCCCC(=O)O CNP0112828.1 [0,2,0,0,0,0|1,0,1]=4 253 B20R0.32509 CCCCCCCCCCCCCCCCC[As](=O)(C)C CNP0105863.0 [0,2,0,0,0,0|2,0,0]=4 254 B20R0.32990 CCCCC[C@@H](O)CCCCCCCCCCCC(=O)O CNP0297490.1 [0,2,0,0,0,0|1,0,1]=4 255 B20R0.32990 CCCCC[C@H](O)CCCCCCCCCCCC(=O)O CNP0297490.2 [0,2,0,0,0,0|1,0,1]=4 256 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O CNP0259687.0 [0,2,0,0,0,0|1,0,1]=4 257 B20R0.35227 C[C@H](O)CCCCCCCCCCCCCCCC(=O)O CNP0161161.1 [0,2,0,0,0,0|1,0,1]=4 258 B20R0.32384 CCCCCCCCCCCCCC(=O)CC(O)CCC CNP0328904.0 [0,2,0,0,0,0|1,0,1]=4 259 B20R0.32384 CCCCCCCCCCCCCC(O)CC(=O)CCC CNP0110025.0 [0,2,0,0,0,0|1,0,1]=4 260 B20R0.32384 CCCCCCCCCCCCC[C@H](O)C[C@H](O)CCC CNP0147161.1 [0,2,0,0,0,0|1,0,0]=3 261 B20R0.32511 CCCCCCCCCCCCCCC[C@H](CC)CCC CNP0346479.1 [0,2,0,0,0,0|1,0,0]=3 262 B20R0.9755 CCCCCCCCCC[C@H](CO)CCCCCCCC CNP0076519.1 [0,2,0,0,0,0|1,0,0]=3 263 B20R0.28543 CCCCCCCCCC[N+](C)(C)CCCCCCCC CNP0581314.0 [0,2,0,0,0,0|2,0,0]=4 264 B18R1.1261 CCCCCCCCCCCCC1CCCCC1 CNP0611655.0 [1,0,0,1,0,0|0,0,0]=2 265 B18R1.11660 C1CCCCCCCCCCCCCCCCC1 CNP0610066.0 [1,0,0,1,0,0|0,0,0]=2 266 B18R1.13791 O=C1CCCCCCCCCCCCCCCC1 CNP0350525.0 [1,0,0,1,0,0|1,0,1]=4 267 B18R1.13791 OC1CCCCCCCCCCCCCCCC1 CNP0324879.0 [1,0,0,1,0,0|1,0,0]=3 268 B20R1.3310 CCCCCCCCCCCCCCC1CCCCC1 CNP0354394.0 [0,1,0,1,0,0|1,0,0]=3 269 B20R1.8400 CCCCCCCC[C@H]1CCC[C@@H]1CCCCCCC CNP0415712.1 [0,1,0,1,0,0|1,0,0]=3 270 B20R1.8400 CCCCCCCC[C@H]1CCC[C@H]1CCCCCCC CNP0415712.2 [0,1,0,1,0,0|1,0,0]=3 271 B20R1.23098 O=C1CCCCCCCCCCCCCCCCCC1 CNP0216804.0 [0,1,0,1,0,0|1,0,0]=3 272 B20R1.23098 O=C1CCCCCCCCCCCCCCCCCO1 CNP0138330.0 [0,1,0,1,0,0|1,0,1]=4 273 B20R1.64012 CCC1CCCCCCCCCCCCCCC1CC CNP0139422.0 [0,1,0,1,0,0|1,0,0]=3 274 B20R1.65958 CCCCCCCCCCCCCC[C@@H]1CCCN1C CNP0200241.1 [0,1,0,1,0,0|0,0,0]=2 275 B20R1.65958 CCCCCCCCCCCCCC[C@H]1CCCN1C CNP0200241.2 [0,1,0,1,0,0|0,0,0]=2 276 B20R1.65963 CCCCCCCCCCCCCCCCCC1CO1 CNP0588775.0 [0,1,0,1,0,0|1,0,0]=3 277 B20R1.108959 C1CCCCCCCCCCCCCCCCCCC1 CNP0304449.0 [0,1,0,1,0,0|1,0,0]=3 278 B20R1.250 CCCCCCCC/C=C\CCC[C@@H]1CCC[C@H](N1)C CNP0201877.1 [0,1,0,1,0,0|0,0,2]=4 279 B20R1.250 CCCCCCCCCCCCC[C@@H]1CCC[C@H](N1)C CNP0208746.1 [0,1,0,1,0,0|0,0,0]=2 280 B20R1.250 CCCCCCCCCCCCC[C@H]1CCCC(=O)O1 CNP0282148.1 [0,1,0,1,0,0|1,0,1]=4 281 B20R1.250 CCCCCCCCCCCCC[C@H]1CCC[C@H](N1)C CNP0208746.2 [0,1,0,1,0,0|0,0,0]=2 282 B20R1.31096 O=C(O)CCCCCCCCCCCCC1CCCC1 CNP0263255.0 [0,1,0,1,0,0|1,0,1]=4 283 B20R1.34039 CCCCCCCC[C@H]1C[C@@H]1CCCCCCC(=O)O CNP0141412.1 [0,1,0,1,0,0|1,0,1]=4 284 B20R1.35182 CCCCCC[C@@H]1C[C@@H]1CCCCCCCCC(=O)O CNP0427411.1 [0,1,0,1,0,0|1,0,1]=4 285 B20R1.36236 CC(N)CCCCCCCCCC1CCCN1CCO CNP0545418.0 [0,1,0,1,0,0|2,0,0]=4 286 B20R1.66793 CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C CNP0124301.1 [0,1,0,1,0,0|2,0,0]=4 287 B20R1.439899 CCCCCCCCCCCCC1CC1CCC(=O)O CNP0429803.0 [0,1,0,1,0,0|1,0,1]=4 288 B20R1.688472 O=C(O)CCCCCCCCCCC1CCCCCC1 CNP0214972.0 [0,1,0,1,0,0|1,0,1]=4 289 B20R1.4505 C=CCCCC[C@H]1CC[C@H](N1)CCCCCCCCC CNP0251172.1 [0,1,0,1,0,0|1,0,1]=4 290 B20R1.4505 CCCCCCCCC[C@@H]1CC[C@@H](N1)CCCCCC CNP0275756.1 [0,1,0,1,0,0|1,0,0]=3 291 B20R1.32750 CCCCCCCCCO[C@H]1CC[C@H](O1)CCCCC CNP0330289.1 [0,1,0,1,0,0|2,0,0]=4 292 B20R2.311666 CCCCCCC/C=C/C[C@@H]1CCC[C@H]2N1CCC2 CNP0411584.3 [0,0,0,2,0,0|0,0,2]=4 293 B20R2.311666 CCCCCCC/C=C/C[C@H]1CCC[C@@H]2N1CCC2 CNP0411584.6 [0,0,0,2,0,0|0,0,2]=4 294 B20R2.311666 CCCCCCC/C=C/C[C@H]1CCC[C@H]2N1CCC2 CNP0411584.1 [0,0,0,2,0,0|0,0,2]=4 295 B20R2.311666 CCCCCCC/C=C\C[C@@H]1CCC[C@H]2N1CCC2 CNP0411584.2 [0,0,0,2,0,0|0,0,2]=4 296 B20R2.311666 CCCCCCC/C=C\C[C@H]1CCC[C@@H]2N1CCC2 CNP0411584.5 [0,0,0,2,0,0|0,0,2]=4 297 B20R2.311666 CCCCCCC/C=C\C[C@H]1CCC[C@H]2N1CCC2 CNP0411584.4 [0,0,0,2,0,0|0,0,2]=4