0 B16R0.303 C=CC=CCCCCCCCCCCCCC CNP0526692.0 [0,0,0,0,0,0|1,0,3]=4 1 B16R0.303 C=CCCCCCC=CCCCCCCCC CNP0130742.0 [0,0,0,0,0,0|1,0,3]=4 2 B16R0.303 C=CCCCCCCCCCCCCCC=O CNP0204307.0 [0,0,0,0,0,0|0,0,4]=4 3 B16R0.303 C=CCCCCCCCCCCCCCCC CNP0172069.0 [0,0,0,0,0,0|1,0,1]=2 4 B16R0.303 CC=CCCCCCCCCCCCCC=O CNP0076113.0 [0,0,0,0,0,0|0,0,4]=4 5 B16R0.303 CCC=CC#CCCCCCCCCCCO CNP0408785.0 [0,0,0,0,0,0|0,0,4]=4 6 B16R0.303 CCC=CCCCCCCCCCCCC=O CNP0152521.0 [0,0,0,0,0,0|0,0,4]=4 7 B16R0.303 CCC=CCCCCCCCCCCCCC CNP0237923.0 [0,0,0,0,0,0|1,0,2]=3 8 B16R0.303 CCCC=CC=CCCCCCCCCCO CNP0262093.0 [0,0,0,0,0,0|0,0,4]=4 9 B16R0.303 CCCC=CCCCCCCCCCCC=O CNP0171749.0 [0,0,0,0,0,0|0,0,4]=4 10 B16R0.303 CCCCC=CCCC=CCCCCCCO CNP0223195.0 [0,0,0,0,0,0|0,0,4]=4 11 B16R0.303 CCCCC=CCCCC=CCCCCCO CNP0239853.0 [0,0,0,0,0,0|0,0,4]=4 12 B16R0.303 CCCCC=CCCCCCCCCCC=O CNP0207942.0 [0,0,0,0,0,0|0,0,4]=4 13 B16R0.303 CCCCC=CCCCCCCCCCCO CNP0183543.0 [0,0,0,0,0,0|0,0,2]=2 14 B16R0.303 CCCCCC=CCCCCCCCCCC CNP0199300.0 [0,0,0,0,0,0|1,0,2]=3 15 B16R0.303 CCCCCCC=CCCCCCCCC#N CNP0071941.0 [0,0,0,0,0,0|1,0,3]=4 16 B16R0.303 CCCCCCC=CCCCCCCCC=O CNP0286908.0 [0,0,0,0,0,0|0,0,4]=4 17 B16R0.303 CCCCCCC=CCCCCCCCCC CNP0179983.0 [0,0,0,0,0,0|1,0,2]=3 18 B16R0.303 CCCCCCC=CCCCCCCCCO CNP0133161.0 [0,0,0,0,0,0|0,0,2]=2 19 B16R0.303 CCCCCCCC=CCCCCCCCC CNP0163594.0 [0,0,0,0,0,0|1,0,2]=3 20 B16R0.303 CCCCCCCCC=CCCCCCC=O CNP0487153.0 [0,0,0,0,0,0|0,0,4]=4 21 B16R0.303 CCCCCCCCC=CCCCCCCO CNP0136465.0 [0,0,0,0,0,0|0,0,2]=2 22 B16R0.303 CCCCCCCCCCCCC=CCC#N CNP0071934.0 [0,0,0,0,0,0|1,0,3]=4 23 B16R0.303 CCCCCCCCCCCCCC=CC=O CNP0453411.0 [0,0,0,0,0,0|0,0,4]=4 24 B16R0.303 CCCCCCCCCCCCCC=CCO CNP0586462.0 [0,0,0,0,0,0|0,0,2]=2 25 B16R0.303 CCCCCCCCCCCCCCCC#N CNP0079880.0 [0,0,0,0,0,0|1,0,1]=2 26 B16R0.303 CCCCCCCCCCCCCCCC=O CNP0198736.0 [0,0,0,0,0,0|0,0,2]=2 27 B16R0.303 CCCCCCCCCCCCCCCCC CNP0342809.0 [0,0,0,0,0,0|1,0,0]=1 28 B16R0.303 CCCCCCCCCCCCCCCCI CNP0086206.0 [0,0,0,0,0,0|1,0,0]=1 29 B16R0.303 CCCCCCCCCCCCCCCCN CNP0611705.0 [0,0,0,0,0,0|1,0,0]=1 30 B16R0.303 CCCCCCCCCCCCCCCCO CNP0187598.0 [0,0,0,0,0,0|0,0,0]=0 31 B16R0.303 CCCCCCCCCCCCCCOC=O CNP0183171.0 [0,0,0,0,0,0|1,0,2]=3 32 B16R0.303 CCCCCCCCNCCCCCCCC CNP0081956.0 [0,0,0,0,0,0|2,0,0]=2 33 B16R0.303 CCCCCCCCOCCCCCCCC CNP0215186.0 [0,0,0,0,0,0|2,0,0]=2 34 B16R0.303 NCCCNCCCCCCCNCCCN CNP0397931.0 [0,0,0,0,0,0|4,0,0]=4 35 B16R0.303 O=C=CCCCCCCCCCCCCCO CNP0157542.0 [0,0,0,0,0,0|1,0,2]=3 36 B15R0.70 BrCCCCCCCCCCCCCCBr CNP0564678.0 [1,0,0,0,0,0|2,0,0]=3 37 B15R0.70 C#CCCCCCCCCCCCCCC CNP0096283.0 [1,0,0,0,0,0|0,0,2]=3 38 B15R0.70 C=CCCCCCCCCCCCCCC CNP0322122.0 [1,0,0,0,0,0|0,0,2]=3 39 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [1,0,0,0,0,0|0,0,2]=3 40 B15R0.70 CCC=CCCCCCCCCCCCC CNP0086114.0 [1,0,0,0,0,0|0,0,2]=3 41 B15R0.70 CCCC=CCCCCCCCCCCO CNP0086283.0 [1,0,0,0,0,0|0,0,2]=3 42 B15R0.70 CCCCC=CCCCCCCCCCO CNP0272090.0 [1,0,0,0,0,0|0,0,2]=3 43 B15R0.70 CCCCCC=CCCCCCCCCO CNP0264324.0 [1,0,0,0,0,0|0,0,2]=3 44 B15R0.70 CCCCCCC#CCCCCCCCC CNP0611378.0 [1,0,0,0,0,0|0,0,2]=3 45 B15R0.70 CCCCCCC=CCCCCCCCC CNP0076332.0 [1,0,0,0,0,0|0,0,2]=3 46 B15R0.70 CCCCCCCCCCCCC#CCO CNP0086208.0 [1,0,0,0,0,0|0,0,2]=3 47 B15R0.70 CCCCCCCCCCCCC=COC CNP0603784.0 [1,0,0,0,0,0|1,0,2]=4 48 B15R0.70 CCCCCCCCCCCCCC#CO CNP0526632.0 [1,0,0,0,0,0|0,0,2]=3 49 B15R0.70 CCCCCCCCCCCCCCC#N CNP0071942.0 [1,0,0,0,0,0|1,0,1]=3 50 B15R0.70 CCCCCCCCCCCCCCC=O CNP0331942.0 [1,0,0,0,0,0|0,0,2]=3 51 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [1,0,0,0,0,0|0,0,0]=1 52 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [1,0,0,0,0,0|1,0,0]=2 53 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [1,0,0,0,0,0|0,0,0]=1 54 B15R0.70 CCCCCCCSSCCCCCCC CNP0275702.0 [1,0,0,0,0,0|2,0,0]=3 55 B15R0.70 OCCCCCCCCCCCCCCO CNP0086028.0 [1,0,0,0,0,0|1,0,0]=2 56 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [1,0,0,0,0,0|0,0,1]=2 57 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CNP0346646.0 [0,1,0,0,0,0|0,0,3]=4 58 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O CNP0402177.0 [0,1,0,0,0,0|0,0,3]=4 59 B17R0.43 CCC=CCCCCCCCCCCCC(=O)O CNP0122829.0 [0,1,0,0,0,0|0,0,3]=4 60 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O CNP0136432.0 [0,1,0,0,0,0|0,0,3]=4 61 B17R0.43 CCCCCC=CCCCCCCCCC(=O)O CNP0252758.0 [0,1,0,0,0,0|0,0,3]=4 62 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O CNP0307038.0 [0,1,0,0,0,0|0,0,3]=4 63 B17R0.43 CCCCCCCC=CCCCCCCC(=O)O CNP0573774.0 [0,1,0,0,0,0|0,0,3]=4 64 B17R0.43 CCCCCCCCC#CCCCCCC(=O)O CNP0281107.0 [0,1,0,0,0,0|0,0,3]=4 65 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O CNP0272289.0 [0,1,0,0,0,0|0,0,3]=4 66 B17R0.43 CCCCCCCCCC#CCCCCC(=O)O CNP0216850.0 [0,1,0,0,0,0|0,0,3]=4 67 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O CNP0204690.0 [0,1,0,0,0,0|0,0,3]=4 68 B17R0.43 CCCCCCCCCCC=CCCCC(=O)O CNP0204286.0 [0,1,0,0,0,0|0,0,3]=4 69 B17R0.43 CCCCCCCCCCCC=CCCC(=O)O CNP0187858.0 [0,1,0,0,0,0|0,0,3]=4 70 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O CNP0135366.0 [0,1,0,0,0,0|0,0,3]=4 71 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O CNP0340973.0 [0,1,0,0,0,0|0,0,3]=4 72 B17R0.43 CCCCCCCCCCCCCCCC(=O)C CNP0188334.0 [0,1,0,0,0,0|0,0,2]=3 73 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl CNP0198740.0 [0,1,0,0,0,0|0,0,2]=3 74 B17R0.43 CCCCCCCCCCCCCCCC(=O)N CNP0243925.0 [0,1,0,0,0,0|0,0,2]=3 75 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CNP0420987.0 [0,1,0,0,0,0|0,0,1]=2 76 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0495891.0 [0,1,0,0,0,0|0,0,2]=3 77 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0499278.0 [0,1,0,0,0,0|0,0,2]=3 78 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0554778.0 [0,1,0,0,0,0|0,0,2]=3 79 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0601923.0 [0,1,0,0,0,0|0,0,2]=3 80 B17R0.43 CCCCCCCCCCCCCCCC(C)C CNP0264011.0 [0,1,0,0,0,0|1,0,0]=2 81 B17R0.43 CCCCCCCCCCCCCCCC(C)O CNP0605434.0 [0,1,0,0,0,0|0,0,0]=1 82 B17R0.43 CCCCCCCCCCCCCCCC(O)O CNP0508737.0 [0,1,0,0,0,0|0,0,0]=1 83 B17R0.43 CCCCCCCCCCCCCCOC(=O)C CNP0192551.0 [0,1,0,0,0,0|1,0,2]=4 84 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CNP0323800.0 [0,1,0,0,0,0|1,0,1]=3 85 B17R0.43 [2H]C(=O)CCCCCCCCCCCCCCC CNP0578199.0 [0,1,0,0,0,0|0,0,2]=3 86 B17R0.104 CCCCCCCCC(=O)CCCCCCCC CNP0156685.0 [0,1,0,0,0,0|1,0,1]=3 87 B17R0.104 CCCCCCCCC(O)CCCCCCCC CNP0329624.0 [0,1,0,0,0,0|1,0,0]=2 88 B17R0.104 CCCCCCCC[C@H](C)CCCCCCCO CNP0135020.1 [0,1,0,0,0,0|0,0,0]=1 89 B17R0.117 C#CCCCCCCCCCCCCCCCC CNP0537981.0 [0,1,0,0,0,0|1,0,0]=2 90 B17R0.117 C=CCCCCCCCCCCCCCCC=O CNP0563317.0 [0,1,0,0,0,0|0,0,3]=4 91 B17R0.117 C=CCCCCCCCCCCCCCCCC CNP0120235.0 [0,1,0,0,0,0|1,0,0]=2 92 B17R0.117 CC=CCCCCCCCCCCCCCC=O CNP0076503.0 [0,1,0,0,0,0|0,0,3]=4 93 B17R0.117 CCC=CCCCCCCCCCCCCCC CNP0125159.0 [0,1,0,0,0,0|1,0,1]=3 94 B17R0.117 CCCC#CCCCCCCCCCCCCO CNP0172721.0 [0,1,0,0,0,0|0,0,1]=2 95 B17R0.117 CCCCC=CCCCCCCCCCCCC CNP0277379.0 [0,1,0,0,0,0|1,0,1]=3 96 B17R0.117 CCCCCC=CCCCCCCCCCCO CNP0216177.0 [0,1,0,0,0,0|0,0,1]=2 97 B17R0.117 CCCCCCCCC#CCCCCCCCC CNP0550696.0 [0,1,0,0,0,0|1,0,1]=3 98 B17R0.117 CCCCCCCCC=CCCCCCCC=O CNP0249012.0 [0,1,0,0,0,0|0,0,3]=4 99 B17R0.117 CCCCCCCCC=CCCCCCCCC CNP0077007.0 [0,1,0,0,0,0|1,0,1]=3 100 B17R0.117 CCCCCCCCCCCCC#CC#CCO CNP0427378.0 [0,1,0,0,0,0|0,0,3]=4 101 B17R0.117 CCCCCCCCCCCCCCCCC#N CNP0157550.0 [0,1,0,0,0,0|1,0,0]=2 102 B17R0.117 CCCCCCCCCCCCCCCCC=O CNP0188255.0 [0,1,0,0,0,0|0,0,1]=2 103 B17R0.117 CCCCCCCCCCCCCCCCCC CNP0316858.0 [0,1,0,0,0,0|1,0,0]=2 104 B17R0.117 CCCCCCCCCCCCCCCCCO CNP0226027.0 [0,1,0,0,0,0|0,0,0]=1 105 B17R0.117 CCCCCCCCCCCCCCCC[14CH2]O CNP0601499.0 [0,1,0,0,0,0|0,0,0]=1 106 B17R0.117 OCCCCCCCCCCCCCCCCO CNP0114182.0 [0,1,0,0,0,0|0,0,0]=1 107 B17R0.117 [CH2]CCCCCCCCCCCCCCCCC CNP0523804.0 [0,1,0,0,0,0|1,0,0]=2 108 B17R0.195 CCC(C)CCCCCCCCCCCCCO CNP0186607.0 [0,1,0,0,0,0|0,0,0]=1 109 B17R0.195 CCC(C)CCCCCCCCCCCCOC CNP0581565.0 [0,1,0,0,0,0|2,0,0]=3 110 B17R0.195 CCCCCCCCCCCCCCC(=O)OC CNP0149579.0 [0,1,0,0,0,0|2,0,1]=4 111 B17R0.195 CCCCCCCCCCCCCCC(O)C=O CNP0083434.0 [0,1,0,0,0,0|0,0,2]=3 112 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CC CNP0284060.2 [0,1,0,0,0,0|1,0,0]=2 113 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO CNP0112696.1 [0,1,0,0,0,0|0,0,0]=1 114 B17R0.195 CCCCCCCCCCCCCC[C@H](C)CC CNP0486792.1 [0,1,0,0,0,0|1,0,0]=2 115 B17R0.195 CCCCCCCCCCCCCC[C@H](C)CO CNP0153530.1 [0,1,0,0,0,0|0,0,0]=1 116 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CC CNP0284060.1 [0,1,0,0,0,0|1,0,0]=2 117 B17R0.195 CCCCCCCCCCCCOC[C@H](O)CO CNP0239233.1 [0,1,0,0,0,0|1,0,0]=2 118 B17R0.195 CC[C@@H](C)CCCC/C=C\CCCCCCCO CNP0111627.2 [0,1,0,0,0,0|0,0,2]=3 119 B17R0.195 CC[C@@H](C)CCCCC#CCCCCCCCO CNP0494973.1 [0,1,0,0,0,0|0,0,2]=3 120 B17R0.195 CC[C@H](C)CCCC/C=C\CCCCCCCO CNP0111627.1 [0,1,0,0,0,0|0,0,2]=3 121 B17R0.195 COC(=O)CCCCCCCCCCCCCO CNP0332818.0 [0,1,0,0,0,0|1,0,1]=3 122 B17R0.196 CCCCC(C)CCCCCCCCCCCO CNP0306476.0 [0,1,0,0,0,0|0,0,0]=1 123 B17R0.196 CCCCCCCCCCCC[C@H](C)CCCC CNP0170771.1 [0,1,0,0,0,0|1,0,0]=2 124 B17R0.196 CCCCCCCCCCCC[C@H](C)CCCO CNP0302364.1 [0,1,0,0,0,0|0,0,0]=1 125 B17R0.250 CCCCCCCCCCCCCC(=O)CCO CNP0135132.0 [0,1,0,0,0,0|0,0,1]=2 126 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CNP0218436.0 [0,1,0,0,0,0|2,0,1]=4 127 B17R0.250 CCCCCCCCCCCCC[C@@H](C)CCC CNP0352907.2 [0,1,0,0,0,0|1,0,0]=2 128 B17R0.250 CCCCCCCCCCCCC[C@H](C)CCC CNP0352907.1 [0,1,0,0,0,0|1,0,0]=2 129 B17R0.250 CCCCCCCCCCCCOC(=O)CCC CNP0291364.0 [0,1,0,0,0,0|2,0,1]=4 130 B17R0.250 CCCCCCCCCCCCOC(=O)CCS CNP0580650.0 [0,1,0,0,0,0|1,1,1]=4 131 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC CNP0003323.0 [0,1,0,0,0,0|2,0,1]=4 132 B17R0.3110 CCCCCCCCCCCP(=O)OCCCC CNP0558123.0 [0,1,0,0,0,0|3,0,0]=4 133 B17R0.3110 CCCCCCCCCCC[C@H](C)CCCCC CNP0300660.1 [0,1,0,0,0,0|1,0,0]=2 134 B17R0.8809 CCCCCC=CCCC(=O)CCCCCCO CNP0319740.0 [0,1,0,0,0,0|0,0,3]=4 135 B17R0.8809 CCCCCCCCC=C(C)CCCCCCO CNP0017809.0 [0,1,0,0,0,0|0,0,2]=3 136 B17R0.8809 CCCCCCCCCC(=O)OCCCCCC CNP0094983.0 [0,1,0,0,0,0|2,0,1]=4 137 B17R0.8809 CCCCCCCCC[C@@H](C)CCCCCCC CNP0329252.2 [0,1,0,0,0,0|1,0,0]=2 138 B17R0.8809 CCCCCCCCC[C@H](C)CCCCCCC CNP0329252.1 [0,1,0,0,0,0|1,0,0]=2 139 B17R0.8809 CCCCCCCCOC(=O)CCCCCCC CNP0003121.0 [0,1,0,0,0,0|2,0,1]=4 140 B17R0.12412 CCCCCCCCCCC(=O)CCCCCC CNP0003494.0 [0,1,0,0,0,0|1,0,1]=3 141 B17R0.12412 CCCCCCCCCCC(=O)OCCCCC CNP0267990.0 [0,1,0,0,0,0|2,0,1]=4 142 B17R0.12412 CCCCCCCCCC[C@H](C)CCCCCC CNP0327373.1 [0,1,0,0,0,0|1,0,0]=2 143 B17R0.12412 CCCCCC[C@H](C)CCCCCCCCCO CNP0362091.1 [0,1,0,0,0,0|0,0,0]=1 144 B17R1.444 O=C1CCCCCCCCCCCCCC1O CNP0524324.0 [0,0,0,1,0,0|1,0,1]=3 145 B17R1.1242 CCCCCCCCCCCC1CCCCC1 CNP0610561.0 [0,0,0,1,0,0|1,0,0]=2 146 B17R1.1425 CCCCCCCCCCCCC1CCCS1 CNP0297901.0 [0,0,0,1,0,0|0,1,0]=2 147 B17R1.5241 CCCCCCCCCCCC1CCN=C1C CNP0175184.0 [0,0,0,1,0,0|2,0,1]=4 148 B17R1.5241 CCCCCCCCCCC[C@H]1CCN=C1C CNP0175184.1 [0,0,0,1,0,0|2,0,1]=4 149 B17R1.5249 CCCCCCCCCCCCC1CCC1=O CNP0378227.0 [0,0,0,1,0,0|0,0,2]=3 150 B17R1.11298 C[C@H]1CCCCCCCCCCCCCNC1 CNP0272412.1 [0,0,0,1,0,0|2,0,0]=3 151 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CNP0332126.0 [0,0,0,1,0,0|1,0,1]=3 152 B17R1.11298 OC1CCCCCCCCCCCCCCC1 CNP0578812.0 [0,0,0,1,0,0|0,0,0]=1 153 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 CNP0236947.0 [0,0,0,1,0,0|1,0,1]=3 154 B17R1.29093 CCCCCCCCCCCCCC[C@@H]1CO1 CNP0238829.1 [0,0,0,1,0,0|0,0,0]=1 155 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [2,0,0,0,0,0|0,0,2]=4 156 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [2,0,0,0,0,0|0,0,2]=4 157 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [2,0,0,0,0,0|0,0,2]=4 158 B14R0.392 CC=CCCCCCCCCCCCO CNP0292605.0 [2,0,0,0,0,0|0,0,2]=4 159 B14R0.392 CCC#CCCCCCCCCCCO CNP0520588.0 [2,0,0,0,0,0|0,0,2]=4 160 B14R0.392 CCC=CCCCCCCCCCCO CNP0175758.0 [2,0,0,0,0,0|0,0,2]=4 161 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [2,0,0,0,0,0|0,0,2]=4 162 B14R0.392 CCCCC=CCCCCCCCCO CNP0209176.0 [2,0,0,0,0,0|0,0,2]=4 163 B14R0.392 CCCCCC=CCCCCCCCC CNP0295392.0 [2,0,0,0,0,0|0,0,2]=4 164 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [2,0,0,0,0,0|0,0,2]=4 165 B14R0.392 CCCCCCC=CCCCCCCC CNP0169056.0 [2,0,0,0,0,0|0,0,2]=4 166 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [2,0,0,0,0,0|0,0,2]=4 167 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [2,0,0,0,0,0|0,0,2]=4 168 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [2,0,0,0,0,0|0,0,2]=4 169 B14R0.392 CCCCCCCCCCC#CCCO CNP0573718.0 [2,0,0,0,0,0|0,0,2]=4 170 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [2,0,0,0,0,0|0,0,2]=4 171 B14R0.392 CCCCCCCCCCCC=CCO CNP0358958.0 [2,0,0,0,0,0|0,0,2]=4 172 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [2,0,0,0,0,0|0,0,2]=4 173 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [2,0,0,0,0,0|1,0,1]=4 174 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [2,0,0,0,0,0|0,0,2]=4 175 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [2,0,0,0,0,0|0,0,0]=2 176 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [2,0,0,0,0,0|1,0,0]=3 177 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [2,0,0,0,0,0|1,0,0]=3 178 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [2,0,0,0,0,0|1,0,0]=3 179 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [2,0,0,0,0,0|0,0,0]=2 180 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [2,0,0,0,0,0|0,0,0]=2 181 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [2,0,0,0,0,0|1,0,0]=3 182 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [2,0,0,0,0,0|1,0,0]=3 183 B16R0.61 C=CCCCCCCCCCC[C@H](C)CCC CNP0080381.1 [1,1,0,0,0,0|0,0,2]=4 184 B16R0.61 CCCCCCCCCCCCC(=O)CCC CNP0585123.0 [1,1,0,0,0,0|0,0,1]=3 185 B16R0.61 CCCCCCCCCCCCC(=O)OCC CNP0154229.0 [1,1,0,0,0,0|1,0,1]=4 186 B16R0.61 CCCCCCCCCCCCC(O)CCC CNP0221367.0 [1,1,0,0,0,0|0,0,0]=2 187 B16R0.61 CCCCCCCCCCCC[C@H](C)CCC CNP0157313.1 [1,1,0,0,0,0|0,0,0]=2 188 B16R0.68 CCCCCCCCCC[C@H](C)CCCCC CNP0145101.1 [1,1,0,0,0,0|0,0,0]=2 189 B16R0.136 CCCCCCCCC(=O)OCCCCCC CNP0003260.0 [1,1,0,0,0,0|1,0,1]=4 190 B16R0.136 CCCCCCCOC(=O)CCCCCCC CNP0076980.0 [1,1,0,0,0,0|1,0,1]=4 191 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [1,1,0,0,0,0|0,0,1]=3 192 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [1,1,0,0,0,0|1,0,1]=4 193 B16R0.221 CCCCCCCCCCCCC[C@H](C)CC CNP0266860.1 [1,1,0,0,0,0|0,0,0]=2 194 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [1,1,0,0,0,0|0,0,0]=2 195 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [1,1,0,0,0,0|1,0,1]=4 196 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [1,1,0,0,0,0|0,1,1]=4 197 B16R0.274 CC(C)CCCCCCCCCCCCCO CNP0105559.0 [1,1,0,0,0,0|0,0,0]=2 198 B16R0.274 CCCCCCCCC=CCCCCC(C)C CNP0609782.0 [1,1,0,0,0,0|0,0,2]=4 199 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [1,1,0,0,0,0|0,0,2]=4 200 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [1,1,0,0,0,0|0,0,1]=3 201 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [1,1,0,0,0,0|0,0,2]=4 202 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [1,1,0,0,0,0|0,0,1]=3 203 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [1,1,0,0,0,0|0,0,2]=4 204 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [1,1,0,0,0,0|0,0,0]=2 205 B16R0.274 CCCCCCCCCCCCCCN(C)C CNP0466864.0 [1,1,0,0,0,0|1,0,0]=3 206 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [1,1,0,0,0,0|0,0,0]=2 207 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [1,1,0,0,0,0|0,0,0]=2 208 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [1,1,0,0,0,0|1,0,1]=4 209 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [1,1,0,0,0,0|1,0,1]=4 210 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [1,1,0,0,0,0|1,0,0]=3 211 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [1,1,0,0,0,0|1,0,1]=4 212 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [1,1,0,0,0,0|1,0,1]=4 213 B16R0.661 CCCCCCCCCCCC(=O)NCCC CNP0212712.0 [1,1,0,0,0,0|1,0,1]=4 214 B16R0.661 CCCCCCCCCCCC(=O)NCCO CNP0433424.0 [1,1,0,0,0,0|1,0,1]=4 215 B16R0.661 CCCCCCCCCCCC(=O)OCCC CNP0609098.0 [1,1,0,0,0,0|1,0,1]=4 216 B16R0.6603 CCCCCCCCCC(=O)OCCCCC CNP0224546.0 [1,1,0,0,0,0|1,0,1]=4 217 B16R0.6603 CCCCCCCCC[C@H](C)CCCCCC CNP0274515.1 [1,1,0,0,0,0|0,0,0]=2 218 B16R0.6603 CCCCCCCCOC(=O)CCCCCC CNP0002920.0 [1,1,0,0,0,0|1,0,1]=4 219 B18R0.2 CCCC[C@H](C)CCCCCCCCCCC(=O)O CNP0178409.1 [0,2,0,0,0,0|0,0,1]=3 220 B18R0.2 CCCC[C@H](O)CCCCCCCCCCC(=O)O CNP0264537.1 [0,2,0,0,0,0|0,0,1]=3 221 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O CNP0275063.0 [0,2,0,0,0,0|0,0,2]=4 222 B18R0.94 CCCCCCCC[C@@H](O)CCCCCCC(=O)O CNP0257196.2 [0,2,0,0,0,0|0,0,1]=3 223 B18R0.94 CCCCCCCC[C@H](O)CCCCCCC(=O)O CNP0257196.1 [0,2,0,0,0,0|0,0,1]=3 224 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)N CNP0072513.0 [0,2,0,0,0,0|0,0,2]=4 225 B18R0.114 CC[C@@H](C)CCCCCCCCCCCCC(=O)O CNP0226259.2 [0,2,0,0,0,0|0,0,1]=3 226 B18R0.114 CC[C@@H](O)CCCCCCCCCCCCC(=O)O CNP0198971.1 [0,2,0,0,0,0|0,0,1]=3 227 B18R0.114 CC[C@H](C)CCCCCCCCCCCCC(=O)O CNP0226259.1 [0,2,0,0,0,0|0,0,1]=3 228 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O CNP0421828.0 [0,2,0,0,0,0|0,0,2]=4 229 B18R0.127 CCCCCC[C@@H](C)CCCCCCCCC(=O)O CNP0270519.2 [0,2,0,0,0,0|0,0,1]=3 230 B18R0.127 CCCCCC[C@H](C)CCCCCCCCC(=O)O CNP0270519.1 [0,2,0,0,0,0|0,0,1]=3 231 B18R0.127 CCCCCC[C@H](O)CCCCCCCCC(=O)O CNP0409239.1 [0,2,0,0,0,0|0,0,1]=3 232 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC CNP0555630.0 [0,2,0,0,0,0|1,0,0]=3 233 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC CNP0177929.0 [0,2,0,0,0,0|0,0,2]=4 234 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC CNP0274232.0 [0,2,0,0,0,0|0,0,1]=3 235 B18R0.171 CCCCCCCCCCCCCCC[14C](=O)OC CNP0506860.0 [0,2,0,0,0,0|0,0,1]=3 236 B18R0.171 CCCCCCCCCCCCCCC[C@@H](O)CC CNP0356214.1 [0,2,0,0,0,0|0,0,0]=2 237 B18R0.171 CCCCCCCCCCCCCCC[C@@H](O)CN CNP0275256.1 [0,2,0,0,0,0|0,0,0]=2 238 B18R0.171 CCCCCCCCCCCCCCC[C@H](C)CC CNP0332851.1 [0,2,0,0,0,0|1,0,0]=3 239 B18R0.171 CCCCCCCCCCCCCCC[C@H](C)CO CNP0311251.1 [0,2,0,0,0,0|0,0,0]=2 240 B18R0.171 CCCCCCCCCCCCCC[C+]=C([O-])OC CNP0547174.0 [0,2,0,0,0,0|0,0,2]=4 241 B18R0.171 CCCCCCCCCCCCCC[C]C(=O)OC CNP0538565.0 [0,2,0,0,0,0|0,0,2]=4 242 B18R0.171 CCCCCCCCCCCCCOC[C@@H](O)CO CNP0182348.1 [0,2,0,0,0,0|0,0,0]=2 243 B18R0.171 COC(=O)CCCCCCCCCCCCCCO CNP0262301.0 [0,2,0,0,0,0|0,0,1]=3 244 B18R0.174 CCCCCCCCCCCCCCC(=O)C(=O)O CNP0287283.0 [0,2,0,0,0,0|0,0,2]=4 245 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)C CNP0078684.0 [0,2,0,0,0,0|0,0,2]=4 246 B18R0.174 CCCCCCCCCCCCCCC(Cl)C(=O)O CNP0118326.0 [0,2,0,0,0,0|0,0,1]=3 247 B18R0.174 CCCCCCCCCCCCCC[C@@H](C)C(=O)O CNP0261729.1 [0,2,0,0,0,0|0,0,1]=3 248 B18R0.174 CCCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0239003.1 [0,2,0,0,0,0|0,0,1]=3 249 B18R0.174 CCCCCCCCCCCCCC[C@H](O)C(=O)O CNP0239003.2 [0,2,0,0,0,0|0,0,1]=3 250 B18R0.176 C#CCCCCCCCCCCCCCCC(=O)O CNP0536251.0 [0,2,0,0,0,0|0,0,2]=4 251 B18R0.176 CC(C)CCCCCCCCCCCCCCCO CNP0206908.0 [0,2,0,0,0,0|0,0,0]=2 252 B18R0.176 CCCCCC=CCCCCCCCCCC(=O)O CNP0237400.0 [0,2,0,0,0,0|0,0,2]=4 253 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O CNP0150109.0 [0,2,0,0,0,0|0,0,2]=4 254 B18R0.176 CCCCCCCC=CCCCCCCCC(=O)O CNP0307035.0 [0,2,0,0,0,0|0,0,2]=4 255 B18R0.176 CCCCCCCCC=CCCCCCCC(=O)O CNP0157355.0 [0,2,0,0,0,0|0,0,2]=4 256 B18R0.176 CCCCCCCCCC=CCCCCCC(=O)O CNP0206388.0 [0,2,0,0,0,0|0,0,2]=4 257 B18R0.176 CCCCCCCCCCC#CCCCCC(=O)O CNP0287570.0 [0,2,0,0,0,0|0,0,2]=4 258 B18R0.176 CCCCCCCCCCC=CCCCCC(=O)O CNP0377127.0 [0,2,0,0,0,0|0,0,2]=4 259 B18R0.176 CCCCCCCCCCCC=CCCCC(=O)O CNP0370696.0 [0,2,0,0,0,0|0,0,2]=4 260 B18R0.176 CCCCCCCCCCCCC=CCCC(=O)O CNP0190086.0 [0,2,0,0,0,0|0,0,2]=4 261 B18R0.176 CCCCCCCCCCCCCCC=CC(=O)O CNP0076691.0 [0,2,0,0,0,0|0,0,2]=4 262 B18R0.176 CCCCCCCCCCCCCCCCC(=O)C CNP0296335.0 [0,2,0,0,0,0|0,0,1]=3 263 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N CNP0176457.0 [0,2,0,0,0,0|0,0,1]=3 264 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O CNP0215617.0 [0,2,0,0,0,0|0,0,0]=2 265 B18R0.176 CCCCCCCCCCCCCCCCC(C)C CNP0298379.0 [0,2,0,0,0,0|1,0,0]=3 266 B18R0.176 CCCCCCCCCCCCCCCCN(C)C CNP0610107.0 [0,2,0,0,0,0|1,0,0]=3 267 B18R0.176 CCCCCCCCCCCCCCCC[11C](=O)O CNP0486039.0 [0,2,0,0,0,0|0,0,0]=2 268 B18R0.176 CCCCCCCCCCCCCCCC[C@H](C)O CNP0200264.1 [0,2,0,0,0,0|0,0,0]=2 269 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr CNP0050016.0 [0,2,0,0,0,0|0,0,1]=3 270 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO CNP0148323.0 [0,2,0,0,0,0|0,0,1]=3 271 B18R0.176 O=CCCCCCCCCCCCCCCC(=O)O CNP0081853.0 [0,2,0,0,0,0|0,0,2]=4 272 B18R0.182 CCCCCCCCCCCCCCCC(C)(C)C CNP0225498.0 [0,2,0,0,0,0|1,0,0]=3 273 B18R0.182 CCCCCCCCCCCCCCC[As](=O)(C)C CNP0124027.0 [0,2,0,0,0,0|1,0,1]=4 274 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)O CNP0040092.0 [0,2,0,0,0,0|0,0,2]=4 275 B18R0.220 CCCCCCCCCCCCC[C@@H](O)CC(=O)O CNP0147037.1 [0,2,0,0,0,0|0,0,1]=3 276 B18R0.220 CCCCCCCCCCCCC[C@H](C)CC(=O)O CNP0017899.1 [0,2,0,0,0,0|0,0,1]=3 277 B18R0.220 CCCCCCCCCCCCC[C@H](O)CC(=O)O CNP0147037.2 [0,2,0,0,0,0|0,0,1]=3 278 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)O CNP0017694.0 [0,2,0,0,0,0|0,0,2]=4 279 B18R0.233 CCCCCCCCCCCC(C)CCCC(C)C CNP0085706.0 [0,2,0,0,0,0|1,0,0]=3 280 B18R0.974 CC(C)CCCCCCCCCCCCCC(=O)O CNP0319313.0 [0,2,0,0,0,0|0,0,1]=3 281 B18R0.974 C[C@H](O)CCCCCCCCCCCCCC(=O)O CNP0332103.1 [0,2,0,0,0,0|0,0,1]=3 282 B18R0.3137 CCCCCC(=O)CCCCCCCCCC(=O)O CNP0252269.0 [0,2,0,0,0,0|0,0,2]=4 283 B18R0.3137 CCCCC[C@@H](O)CCCCCCCCCC(=O)O CNP0226671.2 [0,2,0,0,0,0|0,0,1]=3 284 B18R0.3137 CCCCC[C@H](C)CCCCCCCCCC(=O)O CNP0253033.1 [0,2,0,0,0,0|0,0,1]=3 285 B18R0.3137 CCCCC[C@H](O)CCCCCCCCCC(=O)O CNP0226671.1 [0,2,0,0,0,0|0,0,1]=3 286 B18R0.7250 CCCCCCCC(=O)CCCCCCCC(=O)O CNP0311471.0 [0,2,0,0,0,0|0,0,2]=4 287 B18R0.7250 CCCCCCC[C@H](C)CCCCCCCC(=O)O CNP0382559.1 [0,2,0,0,0,0|0,0,1]=3 288 B18R0.7250 CCCCCCC[C@H](O)CCCCCCCC(=O)O CNP0267290.1 [0,2,0,0,0,0|0,0,1]=3 289 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)O CNP0177032.0 [0,2,0,0,0,0|0,0,2]=4 290 B18R0.11628 CCCCCCCCC[C@H](C)CCCCCC(=O)O CNP0017808.1 [0,2,0,0,0,0|0,0,1]=3 291 B18R0.11628 CCCCCCCCC[C@H](O)CCCCCC(=O)O CNP0259180.1 [0,2,0,0,0,0|0,0,1]=3 292 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)O CNP0214228.0 [0,2,0,0,0,0|0,0,2]=4 293 B18R0.19183 CCCCCCCCCCCC[C@@H](C)CCC(=O)O CNP0321715.2 [0,2,0,0,0,0|0,0,1]=3 294 B18R0.19183 CCCCCCCCCCCC[C@H](C)CCC(=O)O CNP0321715.1 [0,2,0,0,0,0|0,0,1]=3 295 B18R0.19183 CCCCCCCCCCCC[C@H](C)CCC(C)C CNP0125836.1 [0,2,0,0,0,0|1,0,0]=3 296 B18R0.19354 CCC[C@H](C)CCCCCCCCCCCC(=O)O CNP0018744.1 [0,2,0,0,0,0|0,0,1]=3 297 B18R0.102 CCCCCCCC[C@@H](C)CCC[C@@H](C)CCCC CNP0212340.4 [0,2,0,0,0,0|1,0,0]=3 298 B18R0.102 CCCCCCCC[C@@H](C)CCC[C@H](C)CCCC CNP0212340.1 [0,2,0,0,0,0|1,0,0]=3 299 B18R0.102 CCCCCCCC[C@H](C)CCC[C@@H](C)CCCC CNP0212340.2 [0,2,0,0,0,0|1,0,0]=3 300 B18R0.102 CCCCCCCC[C@H](C)CCC[C@H](C)CCCC CNP0212340.3 [0,2,0,0,0,0|1,0,0]=3 301 B18R0.11013 CCCCCCCCC(CC)CCCCCCCC CNP0541949.0 [0,2,0,0,0,0|1,0,0]=3 302 B18R0.11621 CCCCCCCCC=C(C)CCCCCCCC CNP0228304.0 [0,2,0,0,0,0|1,0,1]=4 303 B18R0.11621 CCCCCCCCCC(O)CCCCCCCC CNP0076334.0 [0,2,0,0,0,0|1,0,0]=3 304 B18R0.11621 CCCCCCCCCC(O)CCCCCCCO CNP0103717.0 [0,2,0,0,0,0|0,0,0]=2 305 B18R0.11621 CCCCCCCCC[C@H](C)CCCCCCCO CNP0207137.1 [0,2,0,0,0,0|0,0,0]=2 306 B18R0.11621 OCCCCCCCC[C@H](O)CCCCCCCO CNP0344029.1 [0,2,0,0,0,0|0,0,0]=2 307 B18R0.20608 CCCCCCCC[N+](C)(C)CCCCCCCC CNP0493753.0 [0,2,0,0,0,0|2,0,0]=4 308 B18R0.110 CCC=C(C)CCCCCCCCCCCCCC CNP0198344.0 [0,2,0,0,0,0|1,0,1]=4 309 B18R0.110 CCCC(O)CCCCCCCCCCCCCO CNP0078098.0 [0,2,0,0,0,0|0,0,0]=2 310 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC CNP0185766.0 [0,2,0,0,0,0|1,0,1]=4 311 B18R0.110 CCCCCCCCCCCCCOC(=O)COC CNP0609675.0 [0,2,0,0,0,0|1,0,1]=4 312 B18R0.110 CCC[C@H](C)CCCCCCCCCCCCCO CNP0170580.1 [0,2,0,0,0,0|0,0,0]=2 313 B18R0.221 C=CCCCCCCCCCCCCCCCC=O CNP0425284.0 [0,2,0,0,0,0|0,0,2]=4 314 B18R0.221 C=CCCCCCCCCCCCCCCCCC CNP0397638.0 [0,2,0,0,0,0|1,0,0]=3 315 B18R0.221 C=COCCCCCCCCCCCCCCCC CNP0017602.0 [0,2,0,0,0,0|0,0,0]=2 316 B18R0.221 CC=CCCCCCCCCCCCCCCC=O CNP0095871.0 [0,2,0,0,0,0|0,0,2]=4 317 B18R0.221 CCCCC=CCCCCCCCCC=CCCO CNP0164998.0 [0,2,0,0,0,0|0,0,2]=4 318 B18R0.221 CCCCC=CCCCCCCCCCCCC=O CNP0194996.0 [0,2,0,0,0,0|0,0,2]=4 319 B18R0.221 CCCCC=CCCCCCCCCCCCCC CNP0076108.0 [0,2,0,0,0,0|1,0,0]=3 320 B18R0.221 CCCCC=CCCCCCCCCCCCCO CNP0244254.0 [0,2,0,0,0,0|0,0,0]=2 321 B18R0.221 CCCCCC=CCC=CCCCCCCCCO CNP0360054.0 [0,2,0,0,0,0|0,0,2]=4 322 B18R0.221 CCCCCCC=CCCCCCCCCCC#N CNP0231149.0 [0,2,0,0,0,0|1,0,1]=4 323 B18R0.221 CCCCCCC=CCCCCCCCCCC=O CNP0386248.0 [0,2,0,0,0,0|0,0,2]=4 324 B18R0.221 CCCCCCC=CCCCCCCCCCCC CNP0160025.0 [0,2,0,0,0,0|1,0,0]=3 325 B18R0.221 CCCCCCC=CCCCCCCCCCCO CNP0133144.0 [0,2,0,0,0,0|0,0,0]=2 326 B18R0.221 CCCCCCC=CCCCCCCCCOC=O CNP0277281.0 [0,2,0,0,0,0|0,0,2]=4 327 B18R0.221 CCCCCCCC=CCCCCCCCCCC CNP0018741.0 [0,2,0,0,0,0|1,0,0]=3 328 B18R0.221 CCCCCCCCC=CCCCCCCCC#N CNP0306708.0 [0,2,0,0,0,0|1,0,1]=4 329 B18R0.221 CCCCCCCCC=CCCCCCCCC=O CNP0241623.0 [0,2,0,0,0,0|0,0,2]=4 330 B18R0.221 CCCCCCCCC=CCCCCCCCCC CNP0151766.0 [0,2,0,0,0,0|1,0,0]=3 331 B18R0.221 CCCCCCCCC=CCCCCCCCCCl CNP0579852.0 [0,2,0,0,0,0|1,0,0]=3 332 B18R0.221 CCCCCCCCC=CCCCCCCCCO CNP0282006.0 [0,2,0,0,0,0|0,0,0]=2 333 B18R0.221 CCCCCCCCC=CCCCCCCOC=O CNP0201897.0 [0,2,0,0,0,0|0,0,2]=4 334 B18R0.221 CCCCCCCCCCCC#CCCCCC#N CNP0601052.0 [0,2,0,0,0,0|1,0,1]=4 335 B18R0.221 CCCCCCCCCCCCCC=CCCCO CNP0611432.0 [0,2,0,0,0,0|0,0,0]=2 336 B18R0.221 CCCCCCCCCCCCCCC=CC=CO CNP0522154.0 [0,2,0,0,0,0|0,0,2]=4 337 B18R0.221 CCCCCCCCCCCCCCCC=CC=O CNP0124730.0 [0,2,0,0,0,0|0,0,2]=4 338 B18R0.221 CCCCCCCCCCCCCCCCC=NO CNP0234975.0 [0,2,0,0,0,0|0,0,0]=2 339 B18R0.221 CCCCCCCCCCCCCCCCCC#N CNP0270491.0 [0,2,0,0,0,0|1,0,0]=3 340 B18R0.221 CCCCCCCCCCCCCCCCCC=O CNP0111144.0 [0,2,0,0,0,0|0,0,1]=3 341 B18R0.221 CCCCCCCCCCCCCCCCCCC CNP0355992.0 [0,2,0,0,0,0|1,0,0]=3 342 B18R0.221 CCCCCCCCCCCCCCCCCCCl CNP0079875.0 [0,2,0,0,0,0|1,0,0]=3 343 B18R0.221 CCCCCCCCCCCCCCCCCCI CNP0496328.0 [0,2,0,0,0,0|1,0,0]=3 344 B18R0.221 CCCCCCCCCCCCCCCCCCO CNP0192475.0 [0,2,0,0,0,0|0,0,0]=2 345 B18R0.221 CCCCCCCCCCCCCCCCCCS CNP0417550.0 [0,2,0,0,0,0|0,1,0]=3 346 B18R0.221 CCCCCCCCCCCCCCCCOC=O CNP0610768.0 [0,2,0,0,0,0|0,0,0]=2 347 B18R0.221 OCCCCCCCCCCCCCCCCCO CNP0176846.0 [0,2,0,0,0,0|0,0,0]=2 348 B18R0.3155 C=CCCCCCCCCCCC[C@H](C)CCCC CNP0250444.1 [0,2,0,0,0,0|1,0,0]=3 349 B18R0.3155 CCCCCCCCCCC/C=C/[C@H](O)CCCC CNP0132573.1 [0,2,0,0,0,0|1,0,1]=4 350 B18R0.3155 CCCCCCCCCCCC=CC(O)CCCC CNP0132573.0 [0,2,0,0,0,0|1,0,1]=4 351 B18R0.3155 CCCCCCCCCCCC=C[C@H](O)CCCC CNP0132573.2 [0,2,0,0,0,0|1,0,1]=4 352 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCO CNP0300092.0 [0,2,0,0,0,0|0,0,1]=3 353 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCC CNP0610537.0 [0,2,0,0,0,0|1,0,1]=4 354 B18R0.3155 CCCCCCCCCCCCCC(C)CCCC CNP0561751.0 [0,2,0,0,0,0|1,0,0]=3 355 B18R0.3155 CCCCCCCCCCCCCC(O)CCCC CNP0076934.0 [0,2,0,0,0,0|1,0,0]=3 356 B18R0.3155 CCCCCCCCCCCCC[C@H](C)CCCO CNP0147257.1 [0,2,0,0,0,0|0,0,0]=2 357 B18R0.7792 CCCCCCCCCCCC(=O)CCCCCC CNP0569613.0 [0,2,0,0,0,0|1,0,0]=3 358 B18R0.17438 CCCCCCCCCCC(=O)CCCCCCC CNP0478847.0 [0,2,0,0,0,0|1,0,0]=3 359 B18R0.17438 CCCCCCCCCOC(=O)CCCCCCC CNP0181924.0 [0,2,0,0,0,0|1,0,1]=4 360 B18R0.17438 CCCCCCC[C@H](C)CCCCCCCCCO CNP0247294.1 [0,2,0,0,0,0|0,0,0]=2 361 B18R0.17438 OCCCCCCCCC[C@H](O)CCCCCCO CNP0425870.1 [0,2,0,0,0,0|0,0,0]=2 362 B18R0.19788 CCCCCCCCCCCCC(=O)OCCCC CNP0563565.0 [0,2,0,0,0,0|1,0,1]=4 363 B18R0.19788 CCCCCCCCCCCC[C@H](C)CCCCC CNP0275742.1 [0,2,0,0,0,0|1,0,0]=3 364 B18R0.19788 CCCCC[C@H](C)CCCCCCCCCCCO CNP0170179.1 [0,2,0,0,0,0|0,0,0]=2 365 B18R0.189 CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO CNP0162744.1 [0,2,0,0,0,0|0,0,2]=4 366 B18R0.189 CCCCCCCCCCC/C=C/[C@H](O)[C@H](N)CO CNP0162744.2 [0,2,0,0,0,0|0,0,2]=4 367 B18R0.189 CCCCCCCCCCCCCC(O)C(N)CO CNP0047169.0 [0,2,0,0,0,0|0,0,0]=2 368 B18R0.7795 CCCCCCCCCCCC(=O)OC[C@H](O)CO CNP0225154.1 [0,2,0,0,0,0|1,0,1]=4 369 B18R0.15765 CC[C@H](C)CCCCCCCCCCC[C@H](O)CO CNP0237887.1 [0,2,0,0,0,0|0,0,0]=2 370 B18R0.19859 CCCC[C@H](C)CCCCCCCCC[C@H](C)CC CNP0326966.1 [0,2,0,0,0,0|1,0,0]=3 371 B18R0.6659 CCCCCC[C@H](C)CCCCC[C@H](C)CCCC CNP0177369.1 [0,2,0,0,0,0|1,0,0]=3 372 B18R0.19211 CCCCCCCCCCC(O)CC(C)CCCC CNP0174520.0 [0,2,0,0,0,0|1,0,0]=3 373 B18R0.19211 CCCCCCCCCC[C@@H](O)C[C@H](C)CCCC CNP0174520.1 [0,2,0,0,0,0|1,0,0]=3 374 B18R0.19210 CCCCCCCCCCC(=O)CC[C@H](O)CCC CNP0293451.1 [0,2,0,0,0,0|1,0,1]=4 375 B16R1.643 CCCCCCCCCCC1CCCCC1 CNP0348747.0 [1,0,0,1,0,0|0,0,0]=2 376 B16R1.1193 CCCCCCCCCCCC1CCCC1 CNP0550028.0 [1,0,0,1,0,0|0,0,0]=2 377 B16R1.1193 CCCCCCCCCCCC1CCCS1 CNP0032675.0 [1,0,0,1,0,0|0,1,0]=3 378 B16R1.2908 C1CCCCCCCCCCCCCCC1 CNP0299890.0 [1,0,0,1,0,0|0,0,0]=2 379 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [1,0,0,1,0,0|0,0,2]=4 380 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [1,0,0,1,0,0|1,0,1]=4 381 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [1,0,0,1,0,0|0,0,0]=2 382 B16R1.8816 O[C@@H]1CCC/C=C\CCCCCCCCC1 CNP0168182.1 [1,0,0,1,0,0|0,0,2]=4 383 B18R1.1108 CCCCCCCCCCCC1CCC[C@@H](N1)C CNP0257761.1 [0,1,0,1,0,0|1,0,0]=3 384 B18R1.1108 CCCCCCCCCCC[C@@H]1CCCC(=O)O1 CNP0270112.2 [0,1,0,1,0,0|0,0,1]=3 385 B18R1.1108 CCCCCCCCCCC[C@@H]1CCC[C@H](N1)C CNP0257761.4 [0,1,0,1,0,0|1,0,0]=3 386 B18R1.1108 CCCCCCCCCCC[C@H]1CCCC(=O)O1 CNP0270112.1 [0,1,0,1,0,0|0,0,1]=3 387 B18R1.1108 CCCCCCCCCCC[C@H]1CCC[C@@H](N1)C CNP0257761.2 [0,1,0,1,0,0|1,0,0]=3 388 B18R1.1108 CCCCCCCCCCC[C@H]1CCC[C@H](N1)C CNP0257761.3 [0,1,0,1,0,0|1,0,0]=3 389 B18R1.1260 CCCCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0109738.2 [0,1,0,1,0,0|0,0,1]=3 390 B18R1.1260 CCCCCCCCCCCC[C@H]1CCC(=O)O1 CNP0109738.1 [0,1,0,1,0,0|0,0,1]=3 391 B18R1.9535 CCCCCC[C@H]1C[C@@H]1CCCCCCC(=O)O CNP0435243.1 [0,1,0,1,0,0|0,0,1]=3 392 B18R1.13041 CCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C CNP0360309.1 [0,1,0,1,0,0|2,0,0]=4 393 B18R1.13041 CCCCCCCC[C@@H]1O[C@H]1CCCCC(C)C CNP0360309.3 [0,1,0,1,0,0|2,0,0]=4 394 B18R1.13041 CCCCCCCC[C@H]1O[C@@H]1CCCCC(C)C CNP0360309.2 [0,1,0,1,0,0|2,0,0]=4 395 B18R1.13041 CCCCCCCC[C@H]1O[C@H]1CCCCC(C)C CNP0360309.4 [0,1,0,1,0,0|2,0,0]=4 396 B18R1.13791 O=C1CCCCCCCCCCCCCCCC1 CNP0350525.0 [0,1,0,1,0,0|0,0,1]=3 397 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 CNP0181076.0 [0,1,0,1,0,0|0,0,1]=3 398 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 CNP0338886.0 [0,1,0,1,0,0|1,0,1]=4 399 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 CNP0363157.0 [0,1,0,1,0,0|1,0,1]=4 400 B18R1.13791 OC1CCCCCCCC=CCCCCCCC1 CNP0363966.0 [0,1,0,1,0,0|0,0,1]=3 401 B18R1.13791 OC1CCCCCCCCCCCCCCCC1 CNP0324879.0 [0,1,0,1,0,0|0,0,0]=2 402 B18R1.14032 C[C@@H]1CCCCCCCCCCCCCC(=O)O1 CNP0420203.1 [0,1,0,1,0,0|0,0,1]=3 403 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCC1 CNP0209075.0 [0,1,0,1,0,0|0,0,1]=3 404 B18R1.20697 O=C(O)CCCCCCCCCC[C@@H]1CCCO1 CNP0416771.1 [0,1,0,1,0,0|1,0,1]=4 405 B18R1.20697 O=C(O)CCCCCCCCCC[C@H]1CCCO1 CNP0416771.2 [0,1,0,1,0,0|1,0,1]=4 406 B18R1.40541 CCCCCCCCCC[C@H]1CCCCC(=O)O1 CNP0138261.1 [0,1,0,1,0,0|0,0,1]=3 407 B18R1.175218 O=C(O)CCCCCCCCC1CCCCCC1 CNP0195419.0 [0,1,0,1,0,0|0,0,1]=3 408 B18R1.317 CCCCCCCCCCC[C@@H]1CCCOC1=O CNP0177107.1 [0,1,0,1,0,0|0,0,2]=4 409 B18R1.1261 CCCCCCCCCCCCC1CCCCC1 CNP0611655.0 [0,1,0,1,0,0|1,0,0]=3 410 B18R1.1843 C[C@@H]1CCCCCCCCCCCCCOC1=O CNP0362475.1 [0,1,0,1,0,0|0,0,2]=4 411 B18R1.1843 C[C@H]1CCCCCCCCCCCCCOC1=O CNP0362475.2 [0,1,0,1,0,0|0,0,2]=4 412 B18R1.11660 C1CCCCCCCCCCCCCCCCC1 CNP0610066.0 [0,1,0,1,0,0|1,0,0]=3 413 B18R1.40564 C=CCCCCCCCC[C@@H]1O[C@@H]1CCCCC CNP0230369.1 [0,1,0,1,0,0|1,0,1]=4 414 B18R1.40564 C=CCCCCCCCC[C@H]1O[C@@H]1CCCCC CNP0230369.2 [0,1,0,1,0,0|1,0,1]=4 415 B18R1.17480 C[C@@H]1CCCCCCCCCCCCC(=O)OC1 CNP0156024.1 [0,1,0,1,0,0|1,0,1]=4 416 B18R1.35429 C=CCCCCCCCC1CCC(N1)CCCC CNP0175755.0 [0,1,0,1,0,0|1,0,1]=4 417 B18R1.35429 C=CCCCCCCC[C@H]1CC[C@@H](N1)CCCC CNP0175755.1 [0,1,0,1,0,0|1,0,1]=4 418 B18R1.101472 O=C1CCCCCCCCCC[C@@H](CCCO1)O CNP0385052.2 [0,1,0,1,0,0|1,0,1]=4 419 B18R1.101472 O=C1CCCCCCCCCC[C@H](CCCO1)O CNP0385052.1 [0,1,0,1,0,0|1,0,1]=4 420 B18R1.4088 C=CCCCCC1CCC(N1)CCCCCCC CNP0480804.0 [0,1,0,1,0,0|1,0,1]=4 421 B18R1.1146 CCCCCCCCCC[C@H](C)C1CCCCC1 CNP0352588.1 [0,1,0,1,0,0|1,0,0]=3