0 B16R1.27 CCCCCCCCCC1=CC=CC(=O)O1 CNP0437104.0 [0,0,0,0,0,0|0,0,4]=4 1 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 CNP0142097.0 [0,0,0,0,0,0|0,0,0]=0 2 B16R1.27 CCCCCCCCC[C@@H]1CC=CC(=O)O1 CNP0272113.1 [0,0,0,0,0,0|0,0,2]=2 3 B16R1.27 CCCCCCCCC[C@@H]1CCC[C@@H](N1)C CNP0301537.1 [0,0,0,0,0,0|2,0,1]=3 4 B15R1.35 CCCCCCCCCC1=NCCCC1 CNP0450651.0 [1,0,0,0,0,0|1,0,2]=4 5 B15R1.35 CCCCCCCCCC1CCCCC1 CNP0080463.0 [1,0,0,0,0,0|1,0,1]=3 6 B15R1.106 CCCCCCCCC1CCCC(=O)O1 CNP0174932.0 [1,0,0,0,0,0|0,0,0]=1 7 B17R1.23 CCCCCCCCC[C@@H]1CCC[C@@H](N1C)C CNP0208507.1 [0,1,0,0,0,0|2,0,1]=4 8 B17R1.40 CCCCC/C=C\C[C@H](O)[C@H]1CCCC(=O)O1 CNP0103074.1 [0,1,0,0,0,0|0,0,2]=3 9 B17R1.278 CCCCCCC/C=C/[C@@H]1C[C@@H](CC(=O)O1)O CNP0063274.3 [0,1,0,0,0,0|0,0,2]=3 10 B17R1.278 CCCCCCC/C=C/[C@@H]1C[C@H](CC(=O)O1)O CNP0063274.4 [0,1,0,0,0,0|0,0,2]=3 11 B17R1.278 CCCCCCC/C=C/[C@H]1C[C@@H](CC(=O)O1)O CNP0063274.2 [0,1,0,0,0,0|0,0,2]=3 12 B17R1.278 CCCCCCC/C=C/[C@H]1C[C@H](CC(=O)O1)O CNP0063274.1 [0,1,0,0,0,0|0,0,2]=3 13 B17R1.278 CCCCCCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0403529.1 [0,1,0,0,0,0|0,0,0]=1 14 B17R1.278 CCCCCCCCC[C@H]1C[C@H](C[C@H](N1)C)O CNP0280888.1 [0,1,0,0,0,0|2,0,1]=4 15 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,0,1,0,0,0|2,0,0]=3 16 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,0,1,0,0,0|3,0,0]=4 17 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,0,1,0,0,0|0,0,2]=3 18 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,0,1,0,0,0|0,0,2]=3 19 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,0,1,0,0,0|0,0,2]=3 20 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,0,1,0,0,0|0,0,2]=3 21 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [0,0,1,0,0,0|1,0,2]=4 22 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,0,1,0,0,0|0,0,2]=3 23 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,0,1,0,0,0|0,0,2]=3 24 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,0,1,0,0,0|0,0,2]=3 25 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,0,1,0,0,0|0,0,2]=3 26 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,0,1,0,0,0|0,0,2]=3 27 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,0,1,0,0,0|0,0,2]=3 28 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,0,1,0,0,0|0,0,2]=3 29 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,0,1,0,0,0|1,0,0]=2 30 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,0,1,0,0,0|1,0,0]=2 31 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,0,1,0,0,0|1,0,0]=2 32 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,0,1,0,0,0|0,0,0]=1 33 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,0,1,0,0,0|0,0,1]=2 34 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,0,1,0,0,0|0,0,1]=2 35 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,0,1,0,0,0|0,0,1]=2 36 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,0,1,0,0,0|0,0,1]=2 37 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,0,1,0,0,0|0,0,1]=2 38 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,0,1,0,0,0|0,0,1]=2 39 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,0,1,0,0,0|0,0,1]=2 40 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [0,0,1,0,0,0|2,0,1]=4 41 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [0,0,1,0,0,0|1,0,1]=3 42 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [0,0,1,0,0,0|1,0,1]=3 43 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,0,1,0,0,0|2,0,0]=3 44 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,0,1,0,0,0|1,0,0]=2 45 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,0,1,0,0,0|1,0,0]=2 46 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,0,1,0,0,0|1,0,1]=3 47 B15R0.366 CCCCCCCCCC=CC(=O)OCC CNP0203006.0 [0,0,1,0,0,0|2,0,1]=4 48 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [0,0,1,0,0,0|2,0,1]=4 49 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [0,0,1,0,0,0|2,0,0]=3 50 B15R0.366 CCCCCCCCCCCC(=O)NCC CNP0001305.0 [0,0,1,0,0,0|2,0,0]=3 51 B15R0.366 CCCCCCCCCCCC(=O)OCC CNP0263071.0 [0,0,1,0,0,0|2,0,0]=3 52 B15R0.366 CCCCCCCCCCCC(C)CCC CNP0084820.0 [0,0,1,0,0,0|2,0,1]=4 53 B15R0.366 CCCCCCCCCCOC(=O)CCC CNP0186393.0 [0,0,1,0,0,0|0,0,0]=1 54 B15R0.3221 CCCCCCCCCC(=CC(=O)OC)C CNP0230553.0 [0,0,1,0,0,0|2,0,1]=4 55 B15R0.3221 CCCCCCCCC[C@H](C)CC(=O)OC CNP0308441.1 [0,0,1,0,0,0|2,0,0]=3 56 B17R2.166226 CCCCCC[C@@H]1CC[C@@H]2N1[C@@H](CCC2)C CNP0212056.3 [0,0,0,1,0,0|2,0,1]=4 57 B17R2.166226 CCCCCC[C@@H]1CC[C@@H]2N1[C@H](CCC2)C CNP0212056.1 [0,0,0,1,0,0|2,0,1]=4 58 B17R2.166226 CCCCCC[C@H]1CC[C@@H]2N1[C@@H](CCC2)C CNP0212056.2 [0,0,0,1,0,0|2,0,1]=4 59 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [1,0,1,0,0,0|1,0,1]=4 60 B14R0.392 C=CCCCCCCCCCCCC=O CNP0321421.0 [1,0,1,0,0,0|0,0,2]=4 61 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [1,0,1,0,0,0|1,0,0]=3 62 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [1,0,1,0,0,0|1,0,1]=4 63 B14R0.392 CCC=CCCCCCCCCCC=O CNP0381172.0 [1,0,1,0,0,0|0,0,2]=4 64 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [1,0,1,0,0,0|2,0,0]=4 65 B14R0.392 CCCCC=CCCCCCCCC=O CNP0270269.0 [1,0,1,0,0,0|0,0,2]=4 66 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [1,0,1,0,0,0|0,0,2]=4 67 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [1,0,1,0,0,0|0,0,2]=4 68 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [1,0,1,0,0,0|2,0,0]=4 69 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [1,0,1,0,0,0|0,0,2]=4 70 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [1,0,1,0,0,0|0,0,2]=4 71 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [1,0,1,0,0,0|1,0,1]=4 72 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [1,0,1,0,0,0|0,0,0]=2 73 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [1,0,1,0,0,0|1,0,1]=4 74 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [1,0,1,0,0,0|1,0,1]=4 75 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [1,0,1,0,0,0|1,0,1]=4 76 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [1,0,1,0,0,0|1,0,1]=4 77 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [1,0,1,0,0,0|0,0,1]=3 78 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [1,0,1,0,0,0|1,0,1]=4 79 B14R0.392 O=CCCCCCCCCCCCC=O CNP0157180.0 [1,0,1,0,0,0|1,0,1]=4 80 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [1,0,1,0,0,0|1,0,1]=4 81 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [1,0,1,0,0,0|0,0,2]=4 82 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [1,0,1,0,0,0|0,0,2]=4 83 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [1,0,1,0,0,0|1,0,0]=3 84 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [1,0,1,0,0,0|1,0,0]=3 85 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [1,0,1,0,0,0|0,0,0]=2 86 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [1,0,1,0,0,0|1,0,1]=4 87 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [1,0,1,0,0,0|2,0,0]=4 88 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [1,0,1,0,0,0|1,0,0]=3 89 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [1,0,1,0,0,0|1,0,0]=3 90 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [1,0,1,0,0,0|1,0,0]=3 91 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [1,0,1,0,0,0|1,0,0]=3 92 B14R0.179 CCCCCCCC[C@H](O)CCCCO CNP0017921.1 [1,0,1,0,0,0|0,0,2]=4 93 B14R0.493 CCCCCCCCC[C@H](C)CCCC CNP0076142.1 [1,0,1,0,0,0|1,0,1]=4 94 B14R0.493 CCCC[C@H](O)CCCCCCCCO CNP0388153.1 [1,0,1,0,0,0|1,0,1]=4 95 B14R0.337 CCCCCCCCCCCC(=O)CC CNP0260208.0 [1,0,1,0,0,0|1,0,0]=3 96 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [1,0,1,0,0,0|2,0,0]=4 97 B14R0.337 CCCCCCCCCCCC(=O)OC CNP0307835.0 [1,0,1,0,0,0|2,0,0]=4 98 B14R0.337 CCCCCCCCCCOC(=O)CBr CNP0132290.0 [1,0,1,0,0,0|1,0,0]=3 99 B14R0.337 CCCCCCCCCCOC(=O)CC CNP0097861.0 [1,0,1,0,0,0|0,0,0]=2 100 B14R0.393 CCCCCCCCCCC(=O)OCC CNP0025805.0 [1,0,1,0,0,0|1,0,0]=3 101 B14R0.393 CCCCCCCCCCC(C)CCC CNP0003453.0 [1,0,1,0,0,0|1,0,1]=4 102 B14R0.393 CCCCCCCCCC[C@@H](O)CCC CNP0076547.2 [1,0,1,0,0,0|0,0,2]=4 103 B14R0.393 CCCCCCCCCC[C@H](O)CCC CNP0076547.1 [1,0,1,0,0,0|0,0,2]=4 104 B14R0.393 CCOC(=O)CCCCCCCCCBr CNP0024178.0 [1,0,1,0,0,0|2,0,0]=4 105 B14R0.391 CCCCCCCCC[C@@H](C)OC(=O)C CNP0165028.2 [1,0,1,0,0,0|0,0,0]=2 106 B14R0.391 CCCCCCCCC[C@H](C)OC(=O)C CNP0165028.1 [1,0,1,0,0,0|0,0,0]=2 107 B14R0.82 CCCCCCCCC(C)OC(=O)CC CNP0495734.0 [1,0,1,0,0,0|0,0,0]=2 108 B14R0.82 CCCCCCCC[C@H](C)CC(=O)OC CNP0107547.1 [1,0,1,0,0,0|2,0,0]=4 109 B14R1.123 CCCCCCCCC1CCCCC1 CNP0354404.0 [2,0,0,0,0,0|1,0,1]=4 110 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [2,0,0,0,0,0|0,0,2]=4 111 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 CNP0316484.1 [2,0,0,0,0,0|0,0,0]=2 112 B16R0.41 CCC[C@H](C)CCCCCCCCCC(=O)O CNP0018298.1 [0,1,1,0,0,0|0,0,0]=2 113 B16R0.41 CCC[C@H](O)CCCCCCCCCC(=O)O CNP0244528.1 [0,1,1,0,0,0|0,0,0]=2 114 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)O CNP0531578.0 [0,1,1,0,0,0|0,0,1]=3 115 B16R0.114 CCCCCCCC(O)CCCCCC(=O)O CNP0296318.0 [0,1,1,0,0,0|0,0,0]=2 116 B16R0.114 CCCCCCC[C@H](O)C/C=C/CCC(=O)O CNP0153280.1 [0,1,1,0,0,0|0,0,2]=4 117 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O CNP0106804.0 [0,1,1,0,0,0|0,0,0]=2 118 B16R0.165 CCC(C)CCCCCCC=CCCC(=O)O CNP0219477.0 [0,1,1,0,0,0|0,0,2]=4 119 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O CNP0162278.2 [0,1,1,0,0,0|0,0,0]=2 120 B16R0.165 CC[C@@H](C)CCCCCCCCCOC(=O)C CNP0202773.1 [0,1,1,0,0,0|2,0,0]=4 121 B16R0.165 CC[C@H](C)CCCCCCCCCCC(=O)O CNP0162278.1 [0,1,1,0,0,0|0,0,0]=2 122 B16R0.165 CC[C@H](C)CCCCCCCCCOC(=O)C CNP0202773.2 [0,1,1,0,0,0|2,0,0]=4 123 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O CNP0162114.0 [0,1,1,0,0,0|1,0,1]=4 124 B16R0.177 CCCCC=CC(C)CCCCCCC(=O)O CNP0333080.0 [0,1,1,0,0,0|0,0,2]=4 125 B16R0.221 C=CC(=O)OCCCCCCCCCCCC CNP0018126.0 [0,1,1,0,0,0|2,0,0]=4 126 B16R0.221 CCCCC=CCCCCCCCC(=O)OC CNP0150160.0 [0,1,1,0,0,0|0,0,2]=4 127 B16R0.221 CCCCCCCCCC=CCCC(=O)OC CNP0195665.0 [0,1,1,0,0,0|0,0,2]=4 128 B16R0.221 CCCCCCCCCCCC=CC(=O)OC CNP0295487.0 [0,1,1,0,0,0|0,0,2]=4 129 B16R0.221 CCCCCCCCCCCCC=C(Cl)C=O CNP0233432.0 [0,1,1,0,0,0|1,0,1]=4 130 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [0,1,1,0,0,0|1,0,0]=3 131 B16R0.221 CCCCCCCCCCCCCC(=O)NN CNP0308205.0 [0,1,1,0,0,0|1,0,0]=3 132 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [0,1,1,0,0,0|0,0,0]=2 133 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [0,1,1,0,0,0|1,0,1]=4 134 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [0,1,1,0,0,0|2,0,0]=4 135 B16R0.221 COC(=O)CCCCCCCCCCCC=O CNP0018335.0 [0,1,1,0,0,0|1,0,1]=4 136 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [0,1,1,0,0,0|0,0,1]=3 137 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C CNP0496216.0 [0,1,1,0,0,0|1,0,0]=3 138 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O CNP0602347.0 [0,1,1,0,0,0|0,0,0]=2 139 B16R0.224 CCCCCCCCCCCC[C@@H](O)C(=O)O CNP0115920.2 [0,1,1,0,0,0|0,0,0]=2 140 B16R0.224 CCCCCCCCCCCC[C@H](O)C(=O)O CNP0115920.1 [0,1,1,0,0,0|0,0,0]=2 141 B16R0.274 C=CCCCCCCCCCCCCC(=O)O CNP0603181.0 [0,1,1,0,0,0|0,0,1]=3 142 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [0,1,1,0,0,0|1,0,0]=3 143 B16R0.274 CCCC=CCCCCCCCCCC(=O)C CNP0353158.0 [0,1,1,0,0,0|1,0,1]=4 144 B16R0.274 CCCCC=CCCCCCCCCC(=O)O CNP0380914.0 [0,1,1,0,0,0|0,0,1]=3 145 B16R0.274 CCCCCC=CCCCCCCCC(=O)C CNP0353143.0 [0,1,1,0,0,0|1,0,1]=4 146 B16R0.274 CCCCCC=CCCCCCCCC(=O)O CNP0117637.0 [0,1,1,0,0,0|0,0,1]=3 147 B16R0.274 CCCCCCCC=CCCCCCC(=O)C CNP0147970.0 [0,1,1,0,0,0|1,0,1]=4 148 B16R0.274 CCCCCCCC=CCCCCCC(=O)O CNP0126394.0 [0,1,1,0,0,0|0,0,1]=3 149 B16R0.274 CCCCCCCCC=CCCCCC(=O)O CNP0402096.0 [0,1,1,0,0,0|0,0,1]=3 150 B16R0.274 CCCCCCCCCC=CCCCC(=O)O CNP0129624.0 [0,1,1,0,0,0|0,0,1]=3 151 B16R0.274 CCCCCCCCCCC=CCCC(=O)O CNP0133125.0 [0,1,1,0,0,0|0,0,1]=3 152 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [0,1,1,0,0,0|0,0,1]=3 153 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [0,1,1,0,0,0|2,0,0]=4 154 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [0,1,1,0,0,0|1,0,0]=3 155 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [0,1,1,0,0,0|1,0,0]=3 156 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [0,1,1,0,0,0|0,0,0]=2 157 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [0,1,1,0,0,0|0,1,0]=3 158 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [0,1,1,0,0,0|1,0,1]=4 159 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [0,1,1,0,0,0|1,0,1]=4 160 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [0,1,1,0,0,0|1,0,0]=3 161 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [0,1,1,0,0,0|1,0,0]=3 162 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [0,1,1,0,0,0|0,0,0]=2 163 B16R0.274 O=C(O)CCCCCCCCCC=CCCO CNP0264070.0 [0,1,1,0,0,0|0,0,2]=4 164 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [0,1,1,0,0,0|0,0,0]=2 165 B16R0.297 CCCCCCCCCC(=CCCC(=O)O)C CNP0103835.0 [0,1,1,0,0,0|0,0,2]=4 166 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CNP0069770.0 [0,1,1,0,0,0|0,0,1]=3 167 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [0,1,1,0,0,0|0,0,0]=2 168 B16R0.302 CCCCCCCCCCC[C@H](C)OC(=O)C CNP0269231.1 [0,1,1,0,0,0|2,0,0]=4 169 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)C CNP0427680.1 [0,1,1,0,0,0|1,0,0]=3 170 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [0,1,1,0,0,0|0,0,0]=2 171 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0020932.0 [0,1,1,0,0,0|2,0,0]=4 172 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0515848.0 [0,1,1,0,0,0|2,0,0]=4 173 B16R0.1188 NCCCCCCCCCCCCP(=O)(O)O CNP0481879.0 [0,1,1,0,0,0|2,0,0]=4 174 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O CNP0241941.0 [0,1,1,0,0,0|0,0,1]=3 175 B16R0.1820 CCCCCCCC[C@H](O)CCCCC(=O)O CNP0378358.1 [0,1,1,0,0,0|0,0,0]=2 176 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O CNP0135234.0 [0,1,1,0,0,0|1,0,1]=4 177 B16R0.3288 CC(C)CCC=CCCCCCCCC(=O)O CNP0018737.0 [0,1,1,0,0,0|0,0,2]=4 178 B16R0.3288 CC(C)CCCCC=CCCCCCC(=O)O CNP0017541.0 [0,1,1,0,0,0|0,0,2]=4 179 B16R0.3288 CC(C)CCCCCCCC=CCCC(=O)O CNP0018516.0 [0,1,1,0,0,0|0,0,2]=4 180 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)N CNP0072512.0 [0,1,1,0,0,0|1,0,0]=3 181 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CNP0240509.0 [0,1,1,0,0,0|0,0,0]=2 182 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O CNP0081935.0 [0,1,1,0,0,0|0,0,0]=2 183 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O CNP0346637.0 [0,1,1,0,0,0|1,0,1]=4 184 B16R0.1685 CCCCC[C@H](O)CCCC[C@H](O)CCCC CNP0364522.1 [0,1,1,0,0,0|1,0,1]=4 185 B16R0.61 CCCCCCCCCCCCC(=O)CCC CNP0585123.0 [0,1,1,0,0,0|1,0,0]=3 186 B16R0.61 CCCCCCCCCCCCC(=O)OCC CNP0154229.0 [0,1,1,0,0,0|2,0,0]=4 187 B16R0.70 CCCCCCCCCCOC(=O)[C@H](C)CC CNP0154359.1 [0,1,1,0,0,0|0,0,0]=2 188 B16R0.661 CCCCCCCCCCCC(=O)NCCC CNP0212712.0 [0,1,1,0,0,0|1,0,0]=3 189 B16R0.661 CCCCCCCCCCCC(=O)NCCO CNP0433424.0 [0,1,1,0,0,0|2,0,0]=4 190 B16R0.661 CCCCCCCCCCCC(=O)OCCC CNP0609098.0 [0,1,1,0,0,0|1,0,0]=3 191 B16R0.1189 CCC/C=C\CCCC[C@H](OC(=O)C)[C@@H](C)N CNP0427807.1 [0,1,1,0,0,0|0,0,2]=4 192 B16R0.1189 CCCCCCCCC[C@H](OC(=O)C)[C@@H](C)N CNP0247387.1 [0,1,1,0,0,0|0,0,0]=2 193 B16R0.3184 CCCCCCCCCC(CCC)O[Si](C)C CNP0576029.0 [0,1,1,0,0,0|1,1,0]=4 194 B16R0.1182 CCCCCCCCCC[C@H](C)CC(=O)OC CNP0221878.1 [0,1,1,0,0,0|2,0,0]=4 195 B16R0.1182 CCCCCCCCCC[C@H](C)OC(=O)CC CNP0115872.1 [0,1,1,0,0,0|0,0,0]=2 196 B16R1.64 CCCCCCCC[C@H](C)C1CCCCC1 CNP0289276.1 [1,1,0,0,0,0|1,0,1]=4 197 B16R1.643 CCCCCCCCCCC1CCCCC1 CNP0348747.0 [1,1,0,0,0,0|1,0,1]=4 198 B16R1.1218 CCCCCCCCCC1CCCOC1=O CNP0002797.0 [1,1,0,0,0,0|2,0,0]=4 199 B16R1.642 CCCCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0271665.1 [0,1,0,0,1,0|0,0,1]=3 200 B16R1.642 CCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0302354.1 [0,1,0,0,1,0|0,0,0]=2 201 B16R1.6868 O=C(O)CCCCCCC[C@@H]1CCC(=O)O1 CNP0357753.1 [0,1,0,0,1,0|1,0,1]=4 202 B16R1.6680 CCCCCCCCCCN1CCCC1=O CNP0534295.0 [0,1,0,0,1,0|1,0,0]=3 203 B18R1.40541 CCCCCCCCCC[C@H]1CCCCC(=O)O1 CNP0138261.1 [0,1,0,0,0,1|0,0,0]=2 204 B18R1.316 CCCCCCCCCC1CC(C(C(=O)O1)C)O CNP0246404.0 [0,2,0,0,0,0|0,0,0]=2 205 B18R1.316 CCCCCCCCCC1C[C@H]([C@H](C(=O)O1)O)O CNP0236260.2 [0,2,0,0,0,0|0,0,0]=2 206 B18R1.316 CCCCCCCCC[C@H]1C[C@H]([C@@H](C(=O)O1)O)O CNP0236260.1 [0,2,0,0,0,0|0,0,0]=2 207 B18R1.4873 CCC[C@@H](O)CCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0145059.1 [0,2,0,0,0,0|0,0,0]=2 208 B18R1.1108 CCCCCCCCCCC[C@@H]1CCCC(=O)O1 CNP0270112.2 [0,2,0,0,0,0|0,0,0]=2 209 B18R1.1108 CCCCCCCCCCC[C@H]1CCCC(=O)O1 CNP0270112.1 [0,2,0,0,0,0|0,0,0]=2 210 B18R1.13448 CCCCCCCCCC1OC(=O)C(=C[C@H]1C)C CNP0566709.1 [0,2,0,0,0,0|0,0,2]=4 211 B16R1.1275 O=C(O)CCCCCCCC[C@@H]1C=CCC1 CNP0355956.2 [0,0,1,1,0,0|0,0,2]=4 212 B16R1.1275 O=C(O)CCCCCCCC[C@H]1C=CCC1 CNP0355956.1 [0,0,1,1,0,0|0,0,2]=4 213 B16R1.8780 CC1CCCCCCCCCCCC(=O)C1 CNP0086318.0 [0,0,1,1,0,0|1,0,0]=3 214 B16R1.8780 C[C@@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.1 [0,0,1,1,0,0|0,0,2]=4 215 B16R1.8780 C[C@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.2 [0,0,1,1,0,0|0,0,2]=4 216 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [0,0,1,1,0,0|0,0,0]=2 217 B16R1.8816 O=C1CCCC=CCCCCCCCCO1 CNP0260386.0 [0,0,1,1,0,0|0,0,2]=4 218 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [0,0,1,1,0,0|1,0,0]=3 219 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [0,0,1,1,0,0|0,0,0]=2 220 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [0,0,1,1,0,0|1,0,0]=3 221 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [0,0,1,1,0,0|1,0,1]=4 222 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 CNP0299537.0 [0,0,1,1,0,0|1,0,0]=3 223 B16R1.1409 C=CCCC[C@@H]1CCC[C@@H](N1)CCCCC CNP0296654.2 [0,0,1,1,0,0|2,0,0]=4 224 B16R1.1409 C=CCCC[C@@H]1CCC[C@H](N1)CCCCC CNP0296654.1 [0,0,1,1,0,0|2,0,0]=4 225 B18R2.145640 CCCCC[C@@H]1CCC[C@H]2N1CCOC(=O)C2 CNP0315758.2 [0,0,0,1,0,1|2,0,0]=4 226 B18R2.145640 CCCCC[C@H]1CCC[C@H]2N1CCOC(=O)C2 CNP0315758.1 [0,0,0,1,0,1|2,0,0]=4 227 B18R2.122014 CCCCCCCCCC[C@@H]1OC(=O)[C@@H]2[C@H]1O2 CNP0232378.1 [0,1,0,1,0,0|1,0,0]=3 228 B18R2.122014 CCCCCCCCCC[C@H]1OC(=O)[C@@H]2[C@H]1O2 CNP0232378.2 [0,1,0,1,0,0|1,0,0]=3 229 B14R0.488 CCCCCCCCCC(CC)C(=O)O CNP0565270.0 [0,0,1,0,1,0|1,0,0]=3 230 B14R1.122 CCCCC/C=C/C[C@@H]1CCC(=O)O1 CNP0208703.2 [1,0,0,0,1,0|0,0,2]=4 231 B14R1.122 CCCCC/C=C/C[C@H]1CCC(=O)O1 CNP0208703.1 [1,0,0,0,1,0|0,0,2]=4 232 B14R1.122 CCCCC/C=C\C[C@@H]1CCC(=O)O1 CNP0208703.3 [1,0,0,0,1,0|0,0,2]=4 233 B14R1.122 CCCCC/C=C\C[C@H]1CCC(=O)O1 CNP0208703.4 [1,0,0,0,1,0|0,0,2]=4 234 B14R1.122 CCCCCC/C=C/[C@@H]1CCC(=O)O1 CNP0179736.1 [1,0,0,0,1,0|0,0,2]=4 235 B14R1.122 CCCCCC/C=C/[C@H]1CCC(=O)O1 CNP0179736.3 [1,0,0,0,1,0|0,0,2]=4 236 B14R1.122 CCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0179736.2 [1,0,0,0,1,0|0,0,2]=4 237 B14R1.122 CCCCCCCC[C@@H]1CCC(=O)O1 CNP0390908.2 [1,0,0,0,1,0|0,0,0]=2 238 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 CNP0390908.1 [1,0,0,0,1,0|0,0,0]=2 239 B14R1.216 CCCCCC=CCC1CCCC1=O CNP0180932.0 [1,0,0,0,1,0|0,0,2]=4