0 B16R0.1188 CCCCCC=CCC=CCCOS(=O)(=O)O CNP0447881.0 [0,0,0,0,0,0|0,0,4]=4 1 B16R0.1188 CCCCCCCCC=CCCOS(=O)(=O)O CNP0461172.0 [0,0,0,0,0,0|0,0,2]=2 2 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0020932.0 [0,0,0,0,0,0|0,0,0]=0 3 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0515848.0 [0,0,0,0,0,0|0,0,0]=0 4 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] CNP0485395.0 [0,0,0,0,0,0|0,0,1]=1 5 B16R0.1188 NCCCCCCCCCCCCP(=O)(O)O CNP0481879.0 [0,0,0,0,0,0|3,0,1]=4 6 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [1,0,0,0,0,0|3,0,0]=4 7 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [1,0,0,0,0,0|2,0,1]=4 8 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [1,0,0,0,0,0|3,0,0]=4 9 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [1,0,0,0,0,0|3,0,0]=4 10 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [1,0,0,0,0,0|3,0,0]=4 11 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [1,0,0,0,0,0|2,0,0]=3 12 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [1,0,0,0,0,0|2,0,1]=4 13 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [1,0,0,0,0,0|2,0,1]=4 14 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [1,0,0,0,0,0|2,0,1]=4 15 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [1,0,0,0,0,0|2,0,1]=4 16 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [1,0,0,0,0,0|2,0,1]=4 17 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [1,0,0,0,0,0|2,0,1]=4 18 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [1,0,0,0,0,0|2,0,1]=4 19 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [1,0,0,0,0,0|3,0,0]=4 20 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [1,0,0,0,0,0|3,0,0]=4 21 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [1,0,0,0,0,0|2,0,0]=3 22 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [1,0,0,0,0,0|3,0,0]=4 23 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [1,0,0,0,0,0|3,0,0]=4 24 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [1,0,0,0,0,0|3,0,0]=4 25 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O CNP0533311.0 [1,0,0,0,0,0|0,0,0]=1 26 B15R0.252 O=P(O)(O)CCCCCCCCCCCO CNP0496595.0 [1,0,0,0,0,0|2,0,1]=4 27 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [2,0,0,0,0,0|2,0,0]=4 28 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [2,0,0,0,0,0|2,0,0]=4 29 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [2,0,0,0,0,0|2,0,0]=4 30 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [2,0,0,0,0,0|2,0,0]=4 31 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [2,0,0,0,0,0|2,0,0]=4 32 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [2,0,0,0,0,0|1,0,0]=3 33 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [2,0,0,0,0,0|2,0,0]=4 34 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [2,0,0,0,0,0|2,0,0]=4 35 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [2,0,0,0,0,0|2,0,0]=4 36 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [2,0,0,0,0,0|2,0,0]=4 37 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [2,0,0,0,0,0|2,0,0]=4 38 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [2,0,0,0,0,0|2,0,0]=4 39 B14R0.88 CCCCC=CCCCCOS(=O)(=O)O CNP0119437.0 [2,0,0,0,0,0|0,0,2]=4 40 B14R0.88 CCCCCCC=CCCOS(=O)(=O)O CNP0347404.0 [2,0,0,0,0,0|0,0,2]=4 41 B14R0.88 CCCCCCCCCCNS(=O)(=O)O CNP0476658.0 [2,0,0,0,0,0|1,0,0]=3 42 B14R0.88 CCCCCCCCCCOS(=O)(=O)O CNP0421232.0 [2,0,0,0,0,0|0,0,0]=2 43 B16R0.41 CCC[C@H](C)CCCCCCCCCC(=O)O CNP0018298.1 [1,1,0,0,0,0|2,0,0]=4 44 B16R0.41 CCC[C@H](O)CCCCCCCCCC(=O)O CNP0244528.1 [1,1,0,0,0,0|2,0,0]=4 45 B16R0.114 CCCCCCCC(O)CCCCCC(=O)O CNP0296318.0 [1,1,0,0,0,0|2,0,0]=4 46 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O CNP0106804.0 [1,1,0,0,0,0|2,0,0]=4 47 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O CNP0162278.2 [1,1,0,0,0,0|2,0,0]=4 48 B16R0.165 CC[C@@H](C)CCCCCCCCCOC(=O)C CNP0202773.1 [1,1,0,0,0,0|2,0,0]=4 49 B16R0.165 CC[C@H](C)CCCCCCCCCCC(=O)O CNP0162278.1 [1,1,0,0,0,0|2,0,0]=4 50 B16R0.165 CC[C@H](C)CCCCCCCCCOC(=O)C CNP0202773.2 [1,1,0,0,0,0|2,0,0]=4 51 B16R0.221 C=CC(=O)OCCCCCCCCCCCC CNP0018126.0 [1,1,0,0,0,0|2,0,0]=4 52 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [1,1,0,0,0,0|2,0,0]=4 53 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [1,1,0,0,0,0|2,0,0]=4 54 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [1,1,0,0,0,0|2,0,0]=4 55 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O CNP0602347.0 [1,1,0,0,0,0|2,0,0]=4 56 B16R0.224 CCCCCCCCCCCC[C@@H](O)C(=O)O CNP0115920.2 [1,1,0,0,0,0|2,0,0]=4 57 B16R0.224 CCCCCCCCCCCC[C@H](O)C(=O)O CNP0115920.1 [1,1,0,0,0,0|2,0,0]=4 58 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [1,1,0,0,0,0|2,0,0]=4 59 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [1,1,0,0,0,0|2,0,0]=4 60 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [1,1,0,0,0,0|2,0,0]=4 61 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [1,1,0,0,0,0|2,0,0]=4 62 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [1,1,0,0,0,0|2,0,0]=4 63 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [1,1,0,0,0,0|2,0,0]=4 64 B16R0.302 CCCCCCCCCCC[C@H](C)OC(=O)C CNP0269231.1 [1,1,0,0,0,0|2,0,0]=4 65 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [1,1,0,0,0,0|2,0,0]=4 66 B16R0.1820 CCCCCCCC[C@H](O)CCCCC(=O)O CNP0378358.1 [1,1,0,0,0,0|2,0,0]=4 67 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CNP0240509.0 [1,1,0,0,0,0|2,0,0]=4 68 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O CNP0081935.0 [1,1,0,0,0,0|2,0,0]=4 69 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 CNP0142097.0 [1,0,0,1,0,0|2,0,0]=4 70 B16R1.642 CCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0302354.1 [1,0,0,1,0,0|2,0,0]=4 71 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [1,0,0,1,0,0|2,0,0]=4 72 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [1,0,0,1,0,0|2,0,0]=4