0 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.392 C=CC=CCCCCCCCCCCC CNP0497045.0 [0,0,0,0,0,0|1,0,3]=4 2 B14R0.392 C=CCCCC=CCCCCCCCC CNP0286885.0 [0,0,0,0,0,0|1,0,3]=4 3 B14R0.392 C=CCCCCCC=CCCCCCC CNP0273619.0 [0,0,0,0,0,0|1,0,3]=4 4 B14R0.392 C=CCCCCCCC=CCCCCO CNP0130050.0 [0,0,0,0,0,0|0,0,4]=4 5 B14R0.392 C=CCCCCCCCCCCCC=O CNP0321421.0 [0,0,0,0,0,0|0,0,4]=4 6 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [0,0,0,0,0,0|1,0,1]=2 7 B14R0.392 CC=CCC=CCCCCCCCCO CNP0324279.0 [0,0,0,0,0,0|0,0,4]=4 8 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [0,0,0,0,0,0|1,0,2]=3 9 B14R0.392 CC=CCCCCCCCCCCCO CNP0292605.0 [0,0,0,0,0,0|0,0,2]=2 10 B14R0.392 CCC#CCCCCCCCCCCO CNP0520588.0 [0,0,0,0,0,0|0,0,2]=2 11 B14R0.392 CCC=CC=CCCCCCCCCO CNP0235014.0 [0,0,0,0,0,0|0,0,4]=4 12 B14R0.392 CCC=CCCCCCCCCCC=O CNP0381172.0 [0,0,0,0,0,0|0,0,4]=4 13 B14R0.392 CCC=CCCCCCCCCCCO CNP0175758.0 [0,0,0,0,0,0|0,0,2]=2 14 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [0,0,0,0,0,0|0,0,2]=2 15 B14R0.392 CCCCC=CCCCCCCCC=O CNP0270269.0 [0,0,0,0,0,0|0,0,4]=4 16 B14R0.392 CCCCC=CCCCCCCCCN CNP0374688.0 [0,0,0,0,0,0|1,0,2]=3 17 B14R0.392 CCCCC=CCCCCCCCCO CNP0209176.0 [0,0,0,0,0,0|0,0,2]=2 18 B14R0.392 CCCCCC=CCCCCCCCC CNP0295392.0 [0,0,0,0,0,0|1,0,2]=3 19 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [0,0,0,0,0,0|0,0,2]=2 20 B14R0.392 CCCCCCC=CCCCCCC#N CNP0071943.0 [0,0,0,0,0,0|1,0,3]=4 21 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [0,0,0,0,0,0|0,0,4]=4 22 B14R0.392 CCCCCCC=CCCCCCCC CNP0169056.0 [0,0,0,0,0,0|1,0,2]=3 23 B14R0.392 CCCCCCC=CCCCCCCN CNP0143158.0 [0,0,0,0,0,0|1,0,2]=3 24 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [0,0,0,0,0,0|0,0,2]=2 25 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [0,0,0,0,0,0|0,0,2]=2 26 B14R0.392 CCCCCCCCC=CC=CCCO CNP0203966.0 [0,0,0,0,0,0|0,0,4]=4 27 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [0,0,0,0,0,0|0,0,4]=4 28 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [0,0,0,0,0,0|0,0,2]=2 29 B14R0.392 CCCCCCCCCC=CC=CCO CNP0316670.0 [0,0,0,0,0,0|0,0,4]=4 30 B14R0.392 CCCCCCCCCCC#CCCO CNP0573718.0 [0,0,0,0,0,0|0,0,2]=2 31 B14R0.392 CCCCCCCCCCC=CCC#N CNP0213951.0 [0,0,0,0,0,0|1,0,3]=4 32 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [0,0,0,0,0,0|0,0,2]=2 33 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [0,0,0,0,0,0|0,0,4]=4 34 B14R0.392 CCCCCCCCCCCC=CCO CNP0358958.0 [0,0,0,0,0,0|0,0,2]=2 35 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [0,0,0,0,0,0|0,0,2]=2 36 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [0,0,0,0,0,0|1,0,1]=2 37 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [0,0,0,0,0,0|0,0,2]=2 38 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [0,0,0,0,0,0|1,0,0]=1 39 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [0,0,0,0,0,0|1,0,0]=1 40 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [0,0,0,0,0,0|1,0,0]=1 41 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [0,0,0,0,0,0|1,0,0]=1 42 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [0,0,0,0,0,0|0,0,0]=0 43 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [0,0,0,0,0,0|1,0,0]=1 44 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [0,0,0,0,0,0|2,0,0]=2 45 B14R0.392 CCOCCOCCOCCOCCO CNP0219387.0 [0,0,0,0,0,0|4,0,0]=4 46 B14R0.392 NCCCCCCNCCCCCCN CNP0503311.0 [0,0,0,0,0,0|3,0,0]=3 47 B14R0.392 NCCCCCNCCCNCCCN CNP0342544.0 [0,0,0,0,0,0|4,0,0]=4 48 B14R0.392 NCCCCNCCCCNCCCN CNP0402485.0 [0,0,0,0,0,0|4,0,0]=4 49 B14R0.392 NCCCCNCCCNCCCCN CNP0166547.0 [0,0,0,0,0,0|4,0,0]=4 50 B14R0.392 O=CCCCCCCCCCCCC=O CNP0157180.0 [0,0,0,0,0,0|1,0,3]=4 51 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [0,0,0,0,0,0|1,0,0]=1 52 B13R0.336 C#CCCCCCCCCCCCC CNP0579427.0 [1,0,0,0,0,0|0,0,2]=3 53 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [1,0,0,0,0,0|0,0,2]=3 54 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [1,0,0,0,0,0|1,0,2]=4 55 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [1,0,0,0,0,0|0,0,2]=3 56 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [1,0,0,0,0,0|0,0,2]=3 57 B13R0.336 CCC=CCCCCCCCCCC CNP0003426.0 [1,0,0,0,0,0|0,0,2]=3 58 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [1,0,0,0,0,0|0,0,2]=3 59 B13R0.336 CCCC=CCCCCCCCCC CNP0541639.0 [1,0,0,0,0,0|0,0,2]=3 60 B13R0.336 CCCCC=CCCCCCCCC CNP0076420.0 [1,0,0,0,0,0|0,0,2]=3 61 B13R0.336 CCCCC=CCCCCCCCO CNP0171301.0 [1,0,0,0,0,0|0,0,2]=3 62 B13R0.336 CCCCCC#CCCCCCCC CNP0610552.0 [1,0,0,0,0,0|0,0,2]=3 63 B13R0.336 CCCCCCC#CCCCCCC CNP0076786.0 [1,0,0,0,0,0|0,0,2]=3 64 B13R0.336 CCCCCCC=CCCCCCC CNP0084834.0 [1,0,0,0,0,0|0,0,2]=3 65 B13R0.336 CCCCCCCCC=CCCCO CNP0351626.0 [1,0,0,0,0,0|0,0,2]=3 66 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [1,0,0,0,0,0|0,0,2]=3 67 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [1,0,0,0,0,0|0,0,2]=3 68 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [1,0,0,0,0,0|1,0,1]=3 69 B13R0.336 CCCCCCCCCCCCC#N CNP0226803.0 [1,0,0,0,0,0|1,0,1]=3 70 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [1,0,0,0,0,0|0,0,2]=3 71 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [1,0,0,0,0,0|0,0,0]=1 72 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [1,0,0,0,0,0|1,0,0]=2 73 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [1,0,0,0,0,0|1,0,0]=2 74 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [1,0,0,0,0,0|0,0,0]=1 75 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [1,0,0,0,0,0|1,0,2]=4 76 B13R0.336 CCCCOCCOCCOCCO CNP0441428.0 [1,0,0,0,0,0|3,0,0]=4 77 B13R0.336 CCCNCCCNCCCNCC CNP0579863.0 [1,0,0,0,0,0|3,0,0]=4 78 B13R0.336 OCCCCCCCCCCCCBr CNP0591539.0 [1,0,0,0,0,0|1,0,0]=2 79 B13R0.336 OCCCCCCCCCCCCO CNP0172707.0 [1,0,0,0,0,0|1,0,0]=2 80 B15R0.70 BrCCCCCCCCCCCCCCBr CNP0564678.0 [0,1,0,0,0,0|1,0,0]=2 81 B15R0.70 C#CCCCCCCCCCCCCCC CNP0096283.0 [0,1,0,0,0,0|1,0,0]=2 82 B15R0.70 C=CCCCCCCCCCCCCC=C CNP0600490.0 [0,1,0,0,0,0|1,0,2]=4 83 B15R0.70 C=CCCCCCCCCCCCCCC CNP0322122.0 [0,1,0,0,0,0|1,0,0]=2 84 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [0,1,0,0,0,0|1,0,1]=3 85 B15R0.70 CCC=CCCCCCCCCCCCC CNP0086114.0 [0,1,0,0,0,0|1,0,1]=3 86 B15R0.70 CCCC=CCCCCCCCCCC=O CNP0609859.0 [0,1,0,0,0,0|0,0,3]=4 87 B15R0.70 CCCC=CCCCCCCCCCCO CNP0086283.0 [0,1,0,0,0,0|0,0,1]=2 88 B15R0.70 CCCCC=CCCCC=CCCCCO CNP0280854.0 [0,1,0,0,0,0|0,0,3]=4 89 B15R0.70 CCCCC=CCCCCCCCCCO CNP0272090.0 [0,1,0,0,0,0|0,0,1]=2 90 B15R0.70 CCCCCC=CCC=CCCCCCO CNP0129696.0 [0,1,0,0,0,0|0,0,3]=4 91 B15R0.70 CCCCCC=CCCCCCCCCO CNP0264324.0 [0,1,0,0,0,0|0,0,1]=2 92 B15R0.70 CCCCCCC#CCCCCCCCC CNP0611378.0 [0,1,0,0,0,0|1,0,1]=3 93 B15R0.70 CCCCCCC=CCCCCCCCC CNP0076332.0 [0,1,0,0,0,0|1,0,1]=3 94 B15R0.70 CCCCCCCC=CCCCCCC=O CNP0281465.0 [0,1,0,0,0,0|0,0,3]=4 95 B15R0.70 CCCCCCCCCCCC=CCC#N CNP0333713.0 [0,1,0,0,0,0|1,0,2]=4 96 B15R0.70 CCCCCCCCCCCC=CCC=O CNP0103318.0 [0,1,0,0,0,0|0,0,3]=4 97 B15R0.70 CCCCCCCCCCCCC#CCO CNP0086208.0 [0,1,0,0,0,0|0,0,1]=2 98 B15R0.70 CCCCCCCCCCCCC=CC=O CNP0610784.0 [0,1,0,0,0,0|0,0,3]=4 99 B15R0.70 CCCCCCCCCCCCC=COC CNP0603784.0 [0,1,0,0,0,0|0,0,2]=3 100 B15R0.70 CCCCCCCCCCCCCC#CO CNP0526632.0 [0,1,0,0,0,0|0,0,1]=2 101 B15R0.70 CCCCCCCCCCCCCCC#N CNP0071942.0 [0,1,0,0,0,0|1,0,0]=2 102 B15R0.70 CCCCCCCCCCCCCCC=O CNP0331942.0 [0,1,0,0,0,0|0,0,1]=2 103 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [0,1,0,0,0,0|1,0,0]=2 104 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [0,1,0,0,0,0|1,0,0]=2 105 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [0,1,0,0,0,0|0,0,0]=1 106 B15R0.70 CCCCCCCSSCCCCCCC CNP0275702.0 [0,1,0,0,0,0|2,0,0]=3 107 B15R0.70 COOCCCCCCCCCCOOC CNP0080382.0 [0,1,0,0,0,0|3,0,0]=4 108 B15R0.70 NCCCCNCCCCNCCCCN CNP0278917.0 [0,1,0,0,0,0|3,0,0]=4 109 B15R0.70 OCCCCCCCCCCCCCCO CNP0086028.0 [0,1,0,0,0,0|0,0,0]=1 110 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [0,1,0,0,0,0|1,0,0]=2 111 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [0,1,0,0,0,0|2,0,1]=4 112 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [0,1,0,0,0,0|1,0,0]=2 113 B15R0.81 CCCCCCCCCCCC[C@H](Br)CBr CNP0107528.1 [0,1,0,0,0,0|1,0,0]=2 114 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [0,1,0,0,0,0|1,0,0]=2 115 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [0,1,0,0,0,0|0,0,0]=1 116 B15R0.81 CCCCCCCCCCCOC(=O)CC CNP0236979.0 [0,1,0,0,0,0|2,0,1]=4 117 B15R0.81 CC[C@H](C)CCCCCCCCCCCN CNP0288451.1 [0,1,0,0,0,0|1,0,0]=2 118 B15R0.81 CC[C@H](C)CCCCCCCCCCCO CNP0193546.1 [0,1,0,0,0,0|0,0,0]=1 119 B15R0.81 COC(=O)CCCCCCCCCCCO CNP0267260.0 [0,1,0,0,0,0|1,0,1]=3 120 B15R0.133 CCCCCCCC(=O)CCCCCCC CNP0109225.0 [0,1,0,0,0,0|1,0,1]=3 121 B15R0.133 CCCCCCCC(=O)OCCCCCC CNP0359123.0 [0,1,0,0,0,0|2,0,1]=4 122 B15R0.133 CCCCCCCC(O)CCCCCCC CNP0547904.0 [0,1,0,0,0,0|1,0,0]=2 123 B15R0.133 CCCCCCOC(C)OCCCCCC CNP0313057.0 [0,1,0,0,0,0|3,0,0]=4 124 B15R0.149 CCCCCCCCC(=O)CCCCCC CNP0003490.0 [0,1,0,0,0,0|1,0,1]=3 125 B15R0.149 CCCCCCCCC(C)CCCCCC CNP0602836.0 [0,1,0,0,0,0|1,0,0]=2 126 B15R0.149 CCCCCCCOC(=O)CCCCCC CNP0003070.0 [0,1,0,0,0,0|2,0,1]=4 127 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,1,0,0,0,0|1,0,1]=3 128 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,1,0,0,0,0|1,0,1]=3 129 B15R0.164 CC(C)CCCCCCCCCCCC#N CNP0071937.0 [0,1,0,0,0,0|1,0,1]=3 130 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,1,0,0,0,0|0,0,3]=4 131 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,1,0,0,0,0|0,0,3]=4 132 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,1,0,0,0,0|0,0,3]=4 133 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,1,0,0,0,0|0,0,3]=4 134 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,1,0,0,0,0|0,0,3]=4 135 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,1,0,0,0,0|0,0,3]=4 136 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,1,0,0,0,0|0,0,3]=4 137 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,1,0,0,0,0|0,0,3]=4 138 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,1,0,0,0,0|0,0,3]=4 139 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,1,0,0,0,0|0,0,3]=4 140 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,1,0,0,0,0|0,0,3]=4 141 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,1,0,0,0,0|0,0,2]=3 142 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,1,0,0,0,0|0,0,2]=3 143 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,1,0,0,0,0|0,0,2]=3 144 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,1,0,0,0,0|0,0,1]=2 145 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,1,0,0,0,0|0,0,2]=3 146 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,1,0,0,0,0|0,0,2]=3 147 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,1,0,0,0,0|0,0,2]=3 148 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,1,0,0,0,0|0,0,2]=3 149 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,1,0,0,0,0|0,0,2]=3 150 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,1,0,0,0,0|0,0,2]=3 151 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,1,0,0,0,0|0,0,2]=3 152 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [0,1,0,0,0,0|1,0,0]=2 153 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [0,1,0,0,0,0|0,0,0]=1 154 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [0,1,0,0,0,0|0,0,0]=1 155 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,1,0,0,0,0|1,0,2]=4 156 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [0,1,0,0,0,0|2,0,0]=3 157 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,1,0,0,0,0|1,0,1]=3 158 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,1,0,0,0,0|1,0,1]=3 159 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,1,0,0,0,0|1,0,2]=4 160 B15R0.322 CCCCCCCCCC(=O)OCCCC CNP0288450.0 [0,1,0,0,0,0|2,0,1]=4 161 B15R0.322 CCCCCCCCOC(=O)CCCCC CNP0294728.0 [0,1,0,0,0,0|2,0,1]=4 162 B15R0.322 CCCCOC(=O)CCCCCCCCO CNP0299327.0 [0,1,0,0,0,0|1,0,1]=3 163 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [0,1,0,0,0,0|0,0,3]=4 164 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [0,1,0,0,0,0|0,0,1]=2 165 B15R0.366 CCCCCCCCCCCC(=O)NCC CNP0001305.0 [0,1,0,0,0,0|2,0,1]=4 166 B15R0.366 CCCCCCCCCCCC(=O)OCC CNP0263071.0 [0,1,0,0,0,0|2,0,1]=4 167 B15R0.366 CCCCCCCCCCCC(C)CCC CNP0084820.0 [0,1,0,0,0,0|1,0,0]=2 168 B15R0.366 CCCCCCCCCCOC(=O)CCC CNP0186393.0 [0,1,0,0,0,0|2,0,1]=4 169 B15R0.2002 CCCCCCCCCC[C@@H](O)CCCO CNP0148861.1 [0,1,0,0,0,0|0,0,0]=1 170 B15R0.2002 CCCCCCCCCC[C@H](C)CCCC CNP0220611.1 [0,1,0,0,0,0|1,0,0]=2 171 B15R0.2002 CCCCCCCCCC[C@H](O)CCCO CNP0148861.2 [0,1,0,0,0,0|0,0,0]=1 172 B15R1.35 CCCCCCCC=CC1CCCCC1 CNP0086321.0 [0,0,0,1,0,0|1,0,2]=4 173 B15R1.35 CCCCCCCCCC1=NCCCC1 CNP0450651.0 [0,0,0,1,0,0|1,0,1]=3 174 B15R1.35 CCCCCCCCCC1CCCCC1 CNP0080463.0 [0,0,0,1,0,0|1,0,0]=2 175 B15R1.2988 C1CCCCCCCCCCCCCC1 CNP0076970.0 [0,0,0,1,0,0|1,0,0]=2 176 B15R1.6595 C[C@H]1CCCCCCCNCCCNC1 CNP0145733.1 [0,0,0,1,0,0|3,0,0]=4 177 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [0,0,0,1,0,0|0,0,2]=3 178 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [0,0,0,1,0,0|1,0,1]=3 179 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [2,0,0,0,0,0|0,0,2]=4 180 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [2,0,0,0,0,0|0,0,2]=4 181 B12R0.5 CC#CCCCCCCCCCO CNP0563211.0 [2,0,0,0,0,0|0,0,2]=4 182 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [2,0,0,0,0,0|0,0,2]=4 183 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [2,0,0,0,0,0|0,0,2]=4 184 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [2,0,0,0,0,0|0,0,2]=4 185 B12R0.5 CCC=CCCCCCCCCO CNP0133783.0 [2,0,0,0,0,0|0,0,2]=4 186 B12R0.5 CCCC=CCCCCCCCO CNP0274278.0 [2,0,0,0,0,0|0,0,2]=4 187 B12R0.5 CCCCC=CCCCCCCC CNP0586294.0 [2,0,0,0,0,0|0,0,2]=4 188 B12R0.5 CCCCC=CCCCCCCO CNP0260521.0 [2,0,0,0,0,0|0,0,2]=4 189 B12R0.5 CCCCCC#CCCCCCC CNP0154721.0 [2,0,0,0,0,0|0,0,2]=4 190 B12R0.5 CCCCCC=CCCCCCC CNP0240715.0 [2,0,0,0,0,0|0,0,2]=4 191 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [2,0,0,0,0,0|0,0,2]=4 192 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [2,0,0,0,0,0|0,0,2]=4 193 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [2,0,0,0,0,0|0,0,2]=4 194 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [2,0,0,0,0,0|1,0,1]=4 195 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [2,0,0,0,0,0|0,0,2]=4 196 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [2,0,0,0,0,0|0,0,0]=2 197 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [2,0,0,0,0,0|0,0,0]=2 198 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [2,0,0,0,0,0|1,0,0]=3 199 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [2,0,0,0,0,0|1,0,0]=3 200 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [2,0,0,0,0,0|1,0,0]=3 201 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [2,0,0,0,0,0|1,0,0]=3 202 B12R0.5 OCCCCCCCCCCCO CNP0368503.0 [2,0,0,0,0,0|1,0,0]=3 203 B14R0.145 CCCCCCCC(=O)OCCCCC CNP0272380.0 [1,1,0,0,0,0|1,0,1]=4 204 B14R0.145 CCCCCCCC(O)CCCCCC CNP0151041.0 [1,1,0,0,0,0|0,0,0]=2 205 B14R0.145 CCCCCCC[C@@H](C)CCCCCC CNP0316250.1 [1,1,0,0,0,0|0,0,0]=2 206 B14R0.145 CCCCCCC[C@H](C)CCCCCC CNP0316250.2 [1,1,0,0,0,0|0,0,0]=2 207 B14R0.179 CCCCCCCC[C@H](O)CCCCO CNP0017921.1 [1,1,0,0,0,0|0,0,0]=2 208 B14R0.337 CCCCCCCCC=CCC(O)CC CNP0480605.0 [1,1,0,0,0,0|0,0,2]=4 209 B14R0.337 CCCCCCCCCCCC(=O)CC CNP0260208.0 [1,1,0,0,0,0|0,0,1]=3 210 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [1,1,0,0,0,0|0,0,1]=3 211 B14R0.337 CCCCCCCCCCCC(=O)OC CNP0307835.0 [1,1,0,0,0,0|1,0,1]=4 212 B14R0.337 CCCCCCCCCCC[C@H](C)CC CNP0294304.1 [1,1,0,0,0,0|0,0,0]=2 213 B14R0.337 CCCCCCCCCCOC(=O)CC CNP0097861.0 [1,1,0,0,0,0|1,0,1]=4 214 B14R0.393 CCCCCCCCCCC(=O)OCC CNP0025805.0 [1,1,0,0,0,0|1,0,1]=4 215 B14R0.393 CCCCCCCCCCC(C)CCC CNP0003453.0 [1,1,0,0,0,0|0,0,0]=2 216 B14R0.393 CCCCCCCCCC[C@@H](O)CCC CNP0076547.2 [1,1,0,0,0,0|0,0,0]=2 217 B14R0.393 CCCCCCCCCC[C@H](O)CCC CNP0076547.1 [1,1,0,0,0,0|0,0,0]=2 218 B14R0.394 CC(C)CCCCCCCCCCC=O CNP0178223.0 [1,1,0,0,0,0|0,0,2]=4 219 B14R0.394 CC(C)CCCCCCCCCCCN CNP0301011.0 [1,1,0,0,0,0|1,0,0]=3 220 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [1,1,0,0,0,0|0,0,1]=3 221 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [1,1,0,0,0,0|0,0,2]=4 222 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [1,1,0,0,0,0|0,0,1]=3 223 B14R0.394 CCCCCCCCCCCCC(C)C CNP0391491.0 [1,1,0,0,0,0|0,0,0]=2 224 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [1,1,0,0,0,0|0,0,0]=2 225 B14R0.394 CCCCCCCCCCCCN(C)C CNP0476829.0 [1,1,0,0,0,0|1,0,0]=3 226 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [1,1,0,0,0,0|1,0,1]=4 227 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [1,1,0,0,0,0|1,0,1]=4 228 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [1,1,0,0,0,0|1,0,1]=4 229 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [1,1,0,0,0,0|1,0,1]=4 230 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [1,1,0,0,0,0|1,0,1]=4 231 B14R0.493 CCCCCCCCCC(=O)CCCC CNP0481269.0 [1,1,0,0,0,0|0,0,1]=3 232 B14R0.493 CCCCCCCCCC(=O)OCCC CNP0095402.0 [1,1,0,0,0,0|1,0,1]=4 233 B14R0.493 CCCCCCCCC[C@H](C)CCCC CNP0076142.1 [1,1,0,0,0,0|0,0,0]=2 234 B14R0.493 CCCCCCCCOC(=O)CCCC CNP0076933.0 [1,1,0,0,0,0|1,0,1]=4 235 B14R0.493 CCCC[C@H](O)CCCCCCCCO CNP0388153.1 [1,1,0,0,0,0|0,0,0]=2 236 B14R0.493 CCCOC(=O)CCCCCCCCO CNP0133360.0 [1,1,0,0,0,0|1,0,1]=4 237 B16R0.61 C=CCCCCCCCCCC[C@H](C)CCC CNP0080381.1 [0,2,0,0,0,0|1,0,0]=3 238 B16R0.61 CCCCCCCCCCCCC(=O)CCC CNP0585123.0 [0,2,0,0,0,0|1,0,0]=3 239 B16R0.61 CCCCCCCCCCCCC(=O)OCC CNP0154229.0 [0,2,0,0,0,0|1,0,1]=4 240 B16R0.61 CCCCCCCCCCCCC(O)CCC CNP0221367.0 [0,2,0,0,0,0|1,0,0]=3 241 B16R0.61 CCCCCCCCCCCC[C@H](C)CCC CNP0157313.1 [0,2,0,0,0,0|1,0,0]=3 242 B16R0.68 CCCCCCCCCC[C@H](C)CCCCC CNP0145101.1 [0,2,0,0,0,0|1,0,0]=3 243 B16R0.136 CCCCCCCCC(=O)OCCCCCC CNP0003260.0 [0,2,0,0,0,0|1,0,1]=4 244 B16R0.136 CCCCCCCOC(=O)CCCCCCC CNP0076980.0 [0,2,0,0,0,0|1,0,1]=4 245 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [0,2,0,0,0,0|1,0,0]=3 246 B16R0.221 CCCCCCCCCCCCCC(=O)NN CNP0308205.0 [0,2,0,0,0,0|0,0,2]=4 247 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [0,2,0,0,0,0|0,0,1]=3 248 B16R0.221 CCCCCCCCCCCCC[C@H](C)CC CNP0266860.1 [0,2,0,0,0,0|1,0,0]=3 249 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [0,2,0,0,0,0|0,0,0]=2 250 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [0,2,0,0,0,0|1,0,1]=4 251 B16R0.274 C=CCCCCCCCCCCCCC(=O)O CNP0603181.0 [0,2,0,0,0,0|0,0,2]=4 252 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [0,2,0,0,0,0|0,1,0]=3 253 B16R0.274 CC(C)CCCCCCCCCCCCCO CNP0105559.0 [0,2,0,0,0,0|0,0,0]=2 254 B16R0.274 CCCCC=CCCCCCCCCC(=O)O CNP0380914.0 [0,2,0,0,0,0|0,0,2]=4 255 B16R0.274 CCCCCC=CCCCCCCCC(=O)O CNP0117637.0 [0,2,0,0,0,0|0,0,2]=4 256 B16R0.274 CCCCCCCC=CCCCCCC(=O)O CNP0126394.0 [0,2,0,0,0,0|0,0,2]=4 257 B16R0.274 CCCCCCCCC=CCCCCC(=O)O CNP0402096.0 [0,2,0,0,0,0|0,0,2]=4 258 B16R0.274 CCCCCCCCC=CCCCCC(C)C CNP0609782.0 [0,2,0,0,0,0|1,0,1]=4 259 B16R0.274 CCCCCCCCCC=CCCCC(=O)O CNP0129624.0 [0,2,0,0,0,0|0,0,2]=4 260 B16R0.274 CCCCCCCCCCC=CCCC(=O)O CNP0133125.0 [0,2,0,0,0,0|0,0,2]=4 261 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [0,2,0,0,0,0|0,0,2]=4 262 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [0,2,0,0,0,0|1,0,1]=4 263 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [0,2,0,0,0,0|0,0,1]=3 264 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [0,2,0,0,0,0|0,0,1]=3 265 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [0,2,0,0,0,0|0,0,0]=2 266 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [0,2,0,0,0,0|0,0,1]=3 267 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [0,2,0,0,0,0|1,0,0]=3 268 B16R0.274 CCCCCCCCCCCCCCN(C)C CNP0466864.0 [0,2,0,0,0,0|1,0,0]=3 269 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [0,2,0,0,0,0|0,0,0]=2 270 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [0,2,0,0,0,0|0,0,0]=2 271 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [0,2,0,0,0,0|0,0,2]=4 272 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [0,2,0,0,0,0|0,0,2]=4 273 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [0,2,0,0,0,0|1,0,0]=3 274 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [0,2,0,0,0,0|0,0,1]=3 275 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [0,2,0,0,0,0|0,0,1]=3 276 B16R0.303 C=CC=CCCCCCCCCCCCCC CNP0526692.0 [0,2,0,0,0,0|1,0,1]=4 277 B16R0.303 C=CCCCCCC=CCCCCCCCC CNP0130742.0 [0,2,0,0,0,0|1,0,1]=4 278 B16R0.303 C=CCCCCCCCCCCCCCC=O CNP0204307.0 [0,2,0,0,0,0|0,0,2]=4 279 B16R0.303 C=CCCCCCCCCCCCCCCC CNP0172069.0 [0,2,0,0,0,0|1,0,0]=3 280 B16R0.303 CC=CCCCCCCCCCCCCC=O CNP0076113.0 [0,2,0,0,0,0|0,0,2]=4 281 B16R0.303 CCC=CC#CCCCCCCCCCCO CNP0408785.0 [0,2,0,0,0,0|0,0,2]=4 282 B16R0.303 CCC=CCCCCCCCCCCCC=O CNP0152521.0 [0,2,0,0,0,0|0,0,2]=4 283 B16R0.303 CCC=CCCCCCCCCCCCCC CNP0237923.0 [0,2,0,0,0,0|1,0,0]=3 284 B16R0.303 CCCC=CC=CCCCCCCCCCO CNP0262093.0 [0,2,0,0,0,0|0,0,2]=4 285 B16R0.303 CCCC=CCCCCCCCCCCC=O CNP0171749.0 [0,2,0,0,0,0|0,0,2]=4 286 B16R0.303 CCCCC=CCCC=CCCCCCCO CNP0223195.0 [0,2,0,0,0,0|0,0,2]=4 287 B16R0.303 CCCCC=CCCCC=CCCCCCO CNP0239853.0 [0,2,0,0,0,0|0,0,2]=4 288 B16R0.303 CCCCC=CCCCCCCCCCC=O CNP0207942.0 [0,2,0,0,0,0|0,0,2]=4 289 B16R0.303 CCCCC=CCCCCCCCCCCO CNP0183543.0 [0,2,0,0,0,0|0,0,0]=2 290 B16R0.303 CCCCC=CCCCCCCCCOC=O CNP0121515.0 [0,2,0,0,0,0|0,0,2]=4 291 B16R0.303 CCCCCC=CCCCCCCCCCC CNP0199300.0 [0,2,0,0,0,0|1,0,0]=3 292 B16R0.303 CCCCCC=CCCCCCCCOC=O CNP0111868.0 [0,2,0,0,0,0|0,0,2]=4 293 B16R0.303 CCCCCCC=CCCCCCCCC#N CNP0071941.0 [0,2,0,0,0,0|1,0,1]=4 294 B16R0.303 CCCCCCC=CCCCCCCCC=O CNP0286908.0 [0,2,0,0,0,0|0,0,2]=4 295 B16R0.303 CCCCCCC=CCCCCCCCCC CNP0179983.0 [0,2,0,0,0,0|1,0,0]=3 296 B16R0.303 CCCCCCC=CCCCCCCCCO CNP0133161.0 [0,2,0,0,0,0|0,0,0]=2 297 B16R0.303 CCCCCCCC=CCCCCCCCC CNP0163594.0 [0,2,0,0,0,0|1,0,0]=3 298 B16R0.303 CCCCCCCCC=CCCCCCC=O CNP0487153.0 [0,2,0,0,0,0|0,0,2]=4 299 B16R0.303 CCCCCCCCC=CCCCCCCO CNP0136465.0 [0,2,0,0,0,0|0,0,0]=2 300 B16R0.303 CCCCCCCCCCCCC=CCC#N CNP0071934.0 [0,2,0,0,0,0|1,0,1]=4 301 B16R0.303 CCCCCCCCCCCCCC=CC=O CNP0453411.0 [0,2,0,0,0,0|0,0,2]=4 302 B16R0.303 CCCCCCCCCCCCCC=CCO CNP0586462.0 [0,2,0,0,0,0|0,0,0]=2 303 B16R0.303 CCCCCCCCCCCCCCCC#N CNP0079880.0 [0,2,0,0,0,0|1,0,0]=3 304 B16R0.303 CCCCCCCCCCCCCCCC=O CNP0198736.0 [0,2,0,0,0,0|0,0,1]=3 305 B16R0.303 CCCCCCCCCCCCCCCCC CNP0342809.0 [0,2,0,0,0,0|1,0,0]=3 306 B16R0.303 CCCCCCCCCCCCCCCCI CNP0086206.0 [0,2,0,0,0,0|1,0,0]=3 307 B16R0.303 CCCCCCCCCCCCCCCCN CNP0611705.0 [0,2,0,0,0,0|1,0,0]=3 308 B16R0.303 CCCCCCCCCCCCCCCCO CNP0187598.0 [0,2,0,0,0,0|0,0,0]=2 309 B16R0.303 CCCCCCCCCCCCCCOC=O CNP0183171.0 [0,2,0,0,0,0|0,0,0]=2 310 B16R0.303 CCCCCCCCNCCCCCCCC CNP0081956.0 [0,2,0,0,0,0|1,0,0]=3 311 B16R0.303 CCCCCCCCOCCCCCCCC CNP0215186.0 [0,2,0,0,0,0|1,0,0]=3 312 B16R0.303 NCCCNCCCCCCCNCCCN CNP0397931.0 [0,2,0,0,0,0|2,0,0]=4 313 B16R0.303 O=C=CCCCCCCCCCCCCCO CNP0157542.0 [0,2,0,0,0,0|0,0,1]=3 314 B16R0.661 CCCCCCCCCCCC(=O)NCCC CNP0212712.0 [0,2,0,0,0,0|1,0,1]=4 315 B16R0.661 CCCCCCCCCCCC(=O)NCCO CNP0433424.0 [0,2,0,0,0,0|0,0,1]=3 316 B16R0.661 CCCCCCCCCCCC(=O)OCCC CNP0609098.0 [0,2,0,0,0,0|1,0,1]=4 317 B16R0.6603 CCCCCCCCCC(=O)OCCCCC CNP0224546.0 [0,2,0,0,0,0|1,0,1]=4 318 B16R0.6603 CCCCCCCCC[C@H](C)CCCCCC CNP0274515.1 [0,2,0,0,0,0|1,0,0]=3 319 B16R0.6603 CCCCCCCCOC(=O)CCCCCC CNP0002920.0 [0,2,0,0,0,0|1,0,1]=4 320 B16R0.70 CCCCCC/C=C\CCC[C@@H](O)[C@H](N)CO CNP0224623.1 [0,2,0,0,0,0|0,0,2]=4 321 B16R0.70 CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO CNP0354882.3 [0,2,0,0,0,0|0,0,2]=4 322 B16R0.70 CCCCCCCCC/C=C/[C@H](O)[C@H](N)CO CNP0354882.2 [0,2,0,0,0,0|0,0,2]=4 323 B16R0.70 CCCCCCCCCC=C[C@@H](O)[C@@H](N)CO CNP0354882.4 [0,2,0,0,0,0|0,0,2]=4 324 B16R0.70 CCCCCCCCCC=C[C@H](O)[C@H](N)CO CNP0354882.1 [0,2,0,0,0,0|0,0,2]=4 325 B16R0.164 CC[C@H](C)CCCCCCCCC[C@H](O)CO CNP0371800.1 [0,2,0,0,0,0|0,0,0]=2 326 B16R0.165 CCC(=O)CCCCCCCCCCC(C)C CNP0333793.0 [0,2,0,0,0,0|1,0,1]=4 327 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O CNP0162278.2 [0,2,0,0,0,0|0,0,1]=3 328 B16R0.165 CC[C@H](C)CCCCCCCCCCC(=O)O CNP0162278.1 [0,2,0,0,0,0|0,0,1]=3 329 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [0,2,0,0,0,0|0,0,2]=4 330 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C CNP0496216.0 [0,2,0,0,0,0|0,0,2]=4 331 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O CNP0602347.0 [0,2,0,0,0,0|0,0,1]=3 332 B16R0.224 CCCCCCCCCCCC[C@@H](O)C(=O)O CNP0115920.2 [0,2,0,0,0,0|0,0,1]=3 333 B16R0.224 CCCCCCCCCCCC[C@H](O)C(=O)O CNP0115920.1 [0,2,0,0,0,0|0,0,1]=3 334 B16R0.6606 CCCCCCCCCC(=O)OC[C@H](O)CO CNP0160380.1 [0,2,0,0,0,0|1,0,1]=4 335 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)O CNP0531578.0 [0,2,0,0,0,0|0,0,2]=4 336 B16R0.114 CCCCCCCC(O)CCCCCC(=O)O CNP0296318.0 [0,2,0,0,0,0|0,0,1]=3 337 B16R0.185 CCCCCC[C@H](C)CCC[C@H](C)CCCC CNP0308309.1 [0,2,0,0,0,0|1,0,0]=3 338 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O CNP0241941.0 [0,2,0,0,0,0|0,0,2]=4 339 B16R0.1820 CCCCCCCC[C@H](O)CCCCC(=O)O CNP0378358.1 [0,2,0,0,0,0|0,0,1]=3 340 B16R0.6401 CCCCCCCC[C@H](CO)CCCCCC CNP0081397.1 [0,2,0,0,0,0|1,0,0]=3 341 B16R0.41 CCC[C@H](C)CCCCCCCCCC(=O)O CNP0018298.1 [0,2,0,0,0,0|0,0,1]=3 342 B16R0.41 CCC[C@H](O)CCCCCCCCCC(=O)O CNP0244528.1 [0,2,0,0,0,0|0,0,1]=3 343 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O CNP0106804.0 [0,2,0,0,0,0|0,0,1]=3 344 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CNP0069770.0 [0,2,0,0,0,0|0,0,2]=4 345 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [0,2,0,0,0,0|0,0,1]=3 346 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)C CNP0427680.1 [0,2,0,0,0,0|0,0,2]=4 347 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [0,2,0,0,0,0|0,0,1]=3 348 B16R0.1188 CC(C)(C)CCCCCCCCCCCCS CNP0454370.0 [0,2,0,0,0,0|0,1,0]=3 349 B16R0.1188 CCCCCCCCCCCCCC(C)(C)S CNP0262577.0 [0,2,0,0,0,0|0,1,0]=3 350 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0020932.0 [0,2,0,0,0,0|2,0,0]=4 351 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0515848.0 [0,2,0,0,0,0|2,0,0]=4 352 B16R0.1188 NCCCCCCCCCCCCP(=O)(O)O CNP0481879.0 [0,2,0,0,0,0|2,0,0]=4 353 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)N CNP0072512.0 [0,2,0,0,0,0|0,0,2]=4 354 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CNP0240509.0 [0,2,0,0,0,0|0,0,1]=3 355 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O CNP0081935.0 [0,2,0,0,0,0|0,0,1]=3 356 B16R0.1685 CCCCC[C@H](O)CCCC[C@H](O)CCCC CNP0364522.1 [0,2,0,0,0,0|1,0,0]=3 357 B14R1.123 CCCCCCCCC1CCCCC1 CNP0354404.0 [1,0,0,1,0,0|0,0,0]=2 358 B14R1.247 C[C@@H]1CCCCCCCCCCC1=O CNP0376141.1 [1,0,0,1,0,0|0,0,2]=4 359 B14R1.247 C[C@H]1CCCCCCCCCCC1=O CNP0376141.2 [1,0,0,1,0,0|0,0,2]=4 360 B14R1.904 CCCC1CCCCC1CCCOC CNP0433257.0 [1,0,0,1,0,0|1,0,0]=3 361 B14R1.2874 C1CCCCCCCCCCCCC1 CNP0320476.0 [1,0,0,1,0,0|0,0,0]=2 362 B14R1.4408 O=C1CCCCCCCCCCCO1 CNP0320182.0 [1,0,0,1,0,0|1,0,1]=4 363 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O CNP0258710.1 [0,1,0,1,0,0|0,0,2]=4 364 B16R1.643 CCCCCCCCCCC1CCCCC1 CNP0348747.0 [0,1,0,1,0,0|1,0,0]=3 365 B16R1.662 CCCCCCCCN1CCCCCC1=O CNP0047392.0 [0,1,0,1,0,0|0,0,2]=4 366 B16R1.1193 CCCCCCCCCCCC1CCCC1 CNP0550028.0 [0,1,0,1,0,0|1,0,0]=3 367 B16R1.1193 CCCCCCCCCCCC1CCCS1 CNP0032675.0 [0,1,0,1,0,0|0,1,0]=3 368 B16R1.1218 CCCCCCCCCC1CCCOC1=O CNP0002797.0 [0,1,0,1,0,0|0,0,2]=4 369 B16R1.2908 C1CCCCCCCCCCCCCCC1 CNP0299890.0 [0,1,0,1,0,0|1,0,0]=3 370 B16R1.6680 CCCCCCCCCCN1CCCC1=O CNP0534295.0 [0,1,0,1,0,0|0,0,2]=4 371 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [0,1,0,1,0,0|0,0,1]=3 372 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [0,1,0,1,0,0|0,0,1]=3 373 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [0,1,0,1,0,0|1,0,1]=4 374 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [0,1,0,1,0,0|0,0,0]=2 375 B16R1.8816 O[C@@H]1CCC/C=C\CCCCCCCCC1 CNP0168182.1 [0,1,0,1,0,0|0,0,1]=3 376 B16R1.642 CCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0302354.1 [0,1,0,1,0,0|0,0,1]=3 377 B16R1.8841 CC1CCCCCCCCCCC(=O)OC1 CNP0156010.0 [0,1,0,1,0,0|1,0,1]=4 378 B16R1.8841 C[C@@H]1CCCCCCCCCCC(=O)OC1 CNP0156010.1 [0,1,0,1,0,0|1,0,1]=4 379 B16R1.78622 CCCCCC[C@H]1CCCCC[C@H](O1)CC CNP0430060.1 [0,1,0,1,0,0|1,0,0]=3 380 B16R1.693 CCCCCCCC(O)CC1=NCCCC1 CNP0459769.0 [0,1,0,1,0,0|1,0,1]=4 381 B16R1.5021 CCCCCCCC1=N[C@H](CC1)CCCC CNP0213059.1 [0,1,0,1,0,0|1,0,1]=4 382 B16R1.5021 CCCCCCC[C@@H]1CC[C@H](N1)CCCC CNP0377204.2 [0,1,0,1,0,0|1,0,0]=3 383 B16R1.5021 CCCCCCC[C@H]1CC[C@@H](N1)CCCC CNP0377204.1 [0,1,0,1,0,0|1,0,0]=3 384 B16R1.64 CCCCCCCC[C@H](C)C1CCCCC1 CNP0289276.1 [0,1,0,1,0,0|1,0,0]=3 385 B16R1.246 C=CCCCCC1CCC(N1)CCCCC CNP0111230.0 [0,1,0,1,0,0|1,0,1]=4 386 B16R1.246 CCCCCC[C@@H]1CC[C@@H](N1)CCCCC CNP0192756.1 [0,1,0,1,0,0|1,0,0]=3 387 B16R1.246 CCCCCO[C@H]1CC[C@H](O1)CCCCC CNP0294670.1 [0,1,0,1,0,0|2,0,0]=4 388 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 CNP0142097.0 [0,1,0,1,0,0|0,0,1]=3 389 B16R1.27 CCCCCCCCC[C@@H]1CCC[C@@H](N1)C CNP0301537.1 [0,1,0,1,0,0|1,0,0]=3 390 B16R1.8780 CC1CCCCCCCCCCCC(=O)C1 CNP0086318.0 [0,1,0,1,0,0|0,0,2]=4 391 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [0,1,0,1,0,0|0,0,1]=3 392 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 CNP0299537.0 [0,1,0,1,0,0|0,0,2]=4 393 B16R1.1409 C=CCCC[C@@H]1CCC[C@@H](N1)CCCCC CNP0296654.2 [0,1,0,1,0,0|1,0,1]=4 394 B16R1.1409 C=CCCC[C@@H]1CCC[C@H](N1)CCCCC CNP0296654.1 [0,1,0,1,0,0|1,0,1]=4 395 B16R1.13659 CCCCCCCCCC(=O)OCC1CO1 CNP0076683.0 [0,1,0,1,0,0|1,0,1]=4 396 B16R2.98 OCC[C@@H]1CNCCN1C2CCCCC2 CNP0598111.1 [0,0,0,2,0,0|2,0,0]=4 397 B16R2.98 OCC[C@H]1CNCCN1C2CCCCC2 CNP0598111.2 [0,0,0,2,0,0|2,0,0]=4 398 B16R2.50359 OCCNC[C@@H]1CCCN2[C@@H]1CCCC2 CNP0399663.1 [0,0,0,2,0,0|2,0,0]=4 399 B16R2.5337 C1CCCCC[C@@H]2COC[C@H]2CCCC1 CNP0331526.3 [0,0,0,2,0,0|0,0,0]=2 400 B16R2.5337 C1CCCCC[C@H]2COC[C@@H]2CCCC1 CNP0331526.2 [0,0,0,2,0,0|0,0,0]=2 401 B16R2.5337 C1CCCCC[C@H]2COC[C@H]2CCCC1 CNP0331526.1 [0,0,0,2,0,0|0,0,0]=2 402 B16R2.5337 C\1=C/[C@@H]2COC[C@H]2CCCCCCCC1 CNP0309271.2 [0,0,0,2,0,0|0,0,2]=4 403 B16R2.5337 C\1=C/[C@H]2COC[C@@H]2CCCCCCCC1 CNP0309271.1 [0,0,0,2,0,0|0,0,2]=4 404 B16R2.5337 C\1=C/[C@H]2COC[C@H]2CCCCCCCC1 CNP0309271.4 [0,0,0,2,0,0|0,0,2]=4 405 B16R2.5337 C\1=C\[C@H]2COC[C@@H]2CCCCCCCC1 CNP0309271.3 [0,0,0,2,0,0|0,0,2]=4 406 B16R2.5337 C\1=C\[C@H]2COC[C@H]2CCCCCCCC1 CNP0309271.5 [0,0,0,2,0,0|0,0,2]=4