0 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.13 CCCCC(CC)C(C)C CNP0593985.0 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [1,0,0,0,0,0|0,0,2]=3 11 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,0,0,0,0,0|0,0,3]=4 44 B8R0.11 CCC(CO)CCNC CNP0141963.0 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,0,0,0,0,0|0,0,3]=4 47 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.11 CCCCC(CC)CS CNP0002408.0 [1,0,0,0,0,0|0,1,1]=3 49 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [1,0,0,0,0,0|0,0,1]=2 52 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,0,0,0,0,0|1,0,0]=2 53 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [1,0,0,0,0,0|0,0,1]=2 54 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.17 CCCCC(C(=O)O)C(=O)O CNP0456271.0 [0,1,0,0,0,0|1,0,1]=3 58 B10R0.84 C=C(C)[C@@H](CO)CC=C(C)C CNP0167708.1 [0,1,0,0,0,0|1,0,2]=4 59 B10R0.84 C=C(C)[C@H](CO)CC=C(C)C CNP0167708.2 [0,1,0,0,0,0|1,0,2]=4 60 B10R0.84 CC(C)CCC(CO)C(C)C CNP0076818.0 [0,1,0,0,0,0|1,0,1]=3 61 B10R0.84 CC(O)CCC(CO)C(C)C CNP0247928.0 [0,1,0,0,0,0|1,0,1]=3 62 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,1,0,0,0,0|1,0,0]=2 63 B10R0.85 CCOC[C@@H](NC)C(=O)OC CNP0524975.1 [0,1,0,0,0,0|3,0,0]=4 64 B10R0.85 CCOC[C@H](NC)C(=O)OC CNP0524975.2 [0,1,0,0,0,0|3,0,0]=4 65 B10R0.85 CN[C@@H](CCSC)C(=O)OC CNP0087048.1 [0,1,0,0,0,0|3,0,0]=4 66 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.86 CCCCCC(CO)C(=O)C CNP0002850.0 [0,1,0,0,0,0|0,0,0]=1 69 B10R0.86 CN[C@@H](CCCCN)C(=O)O CNP0039590.1 [0,1,0,0,0,0|3,0,0]=4 70 B10R0.86 NCCCC[C@H](NO)C(=O)O CNP0382420.1 [0,1,0,0,0,0|2,0,0]=3 71 B10R0.101 CCCC(O)C(CC)C(=O)O CNP0481331.0 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C CNP0282017.1 [0,0,0,1,0,0|2,0,1]=4 73 B10R1.13 C=C(C)[C@H]1C=C[C@@H](CC1)C CNP0320205.1 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C CNP0282017.2 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,0,0,1,0,0|2,0,0]=3 76 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,0,0,1,0,0|2,0,0]=3 77 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,0,0,1,0,0|1,0,2]=4 78 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [0,0,0,1,0,0|2,0,1]=4 79 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,0,0,1,0,0|1,0,1]=3 80 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,0,0,1,0,0|1,0,1]=3 81 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,0,0,1,0,0|1,0,1]=3 82 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,0,1,0,0|2,0,0]=3 87 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [0,0,0,1,0,0|2,0,1]=4 88 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,0,1,0,0|2,0,0]=3 89 B10R1.61 CC(C)[C@@H]1CCCC[C@@H]1O CNP0289802.3 [0,0,0,1,0,0|1,0,1]=3 90 B10R1.61 CC(C)[C@@H]1CCCC[C@H]1O CNP0289802.4 [0,0,0,1,0,0|1,0,1]=3 91 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O CNP0289802.2 [0,0,0,1,0,0|1,0,1]=3 92 B10R1.61 CC(C)[C@H]1CCCC[C@H]1O CNP0289802.1 [0,0,0,1,0,0|1,0,1]=3 93 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,0,1,0,0|3,0,0]=4 94 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,0,0,1,0,0|2,0,0]=3 96 B10R1.194 CC(=O)C1SCC(C1O)O CNP0478938.0 [0,0,0,1,0,0|2,0,0]=3 97 B10R1.194 CC(=O)[C@@H]1CO[C@@H]([C@@H]1C)O CNP0351311.3 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.194 CC(=O)[C@@H]1CO[C@H]([C@@H]1C)O CNP0351311.2 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.194 CC(=O)[C@H]1CO[C@@H]([C@H]1C)O CNP0351311.1 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.194 CC(C)C1CCC(C1C)C CNP0058369.0 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.194 C[C@H]1CN[C@@H]([C@H]1O)C(=O)O CNP0315433.1 [0,0,0,1,0,0|2,0,0]=3 102 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O CNP0331184.2 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.194 O=C(O)[C@H]1NC[C@@H]([C@H]1O)O CNP0331184.4 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@@H]1O)O CNP0331184.1 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@H]1O)O CNP0331184.3 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,1,0,0|2,0,0]=3 107 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|3,0,0]=4 109 B10R0.87 CCCCC(CC)CN(C)C CNP0554123.0 [0,0,0,0,0,1|3,0,0]=4 110 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [2,0,0,0,0,0|0,0,2]=4 111 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,1]=4 112 B7R0.3 C=CC(C)CCCC CNP0354372.0 [2,0,0,0,0,0|0,0,1]=3 113 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [2,0,0,0,0,0|1,0,1]=4 114 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [2,0,0,0,0,0|0,0,1]=3 115 B7R0.3 CCC(C)CCCO CNP0251541.0 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.3 CCCCC(C)CO CNP0563062.0 [2,0,0,0,0,0|0,0,0]=2 118 B7R0.3 CCCCC(O)CO CNP0481107.0 [2,0,0,0,0,0|0,0,1]=3 119 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [2,0,0,0,0,0|0,0,0]=2 120 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|0,0,1]=3 121 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|0,0,1]=3 122 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [2,0,0,0,0,0|0,0,0]=2 123 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [2,0,0,0,0,0|1,0,0]=3 124 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [2,0,0,0,0,0|0,0,1]=3 125 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|0,0,2]=4 128 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,2]=4 131 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,0]=2 133 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|0,0,2]=4 140 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|0,1,1]=4 141 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|0,0,2]=4 143 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|0,1,1]=4 144 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [2,0,0,0,0,0|1,0,0]=3 155 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [2,0,0,0,0,0|0,0,2]=4 156 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [2,0,0,0,0,0|0,0,0]=2 157 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [2,0,0,0,0,0|1,0,0]=3 158 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [2,0,0,0,0,0|1,0,0]=3 160 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [2,0,0,0,0,0|0,0,0]=2 162 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [2,0,0,0,0,0|1,0,0]=3 163 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [2,0,0,0,0,0|1,0,0]=3 165 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [2,0,0,0,0,0|2,0,0]=4 167 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [2,0,0,0,0,0|2,0,0]=4 168 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [2,0,0,0,0,0|1,0,0]=3 169 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [2,0,0,0,0,0|1,0,0]=3 170 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.12 CCCC(CC)CC CNP0154770.0 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [2,0,0,0,0,0|1,0,0]=3 176 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [2,0,0,0,0,0|2,0,0]=4 178 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [2,0,0,0,0,0|1,0,0]=3 180 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [2,0,0,0,0,0|2,0,0]=4 182 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [2,0,0,0,0,0|2,0,0]=4 183 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [2,0,0,0,0,0|2,0,0]=4 184 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [1,1,0,0,0,0|2,0,0]=4 185 B9R0.6 CCC[C@@H](O)[C@@H](C)[C@@H](C)O CNP0066149.2 [1,1,0,0,0,0|0,0,2]=4 186 B9R0.6 CCC[C@@H](O)[C@H](C)[C@@H](C)O CNP0066149.1 [1,1,0,0,0,0|0,0,2]=4 187 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [1,1,0,0,0,0|2,0,0]=4 188 B9R0.6 CCC[C@H](O)[C@@H](C)[C@@H](C)O CNP0066149.3 [1,1,0,0,0,0|0,0,2]=4 189 B9R0.6 CCC[C@H](O)[C@H](C)[C@@H](C)O CNP0066149.4 [1,1,0,0,0,0|0,0,2]=4 190 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [1,1,0,0,0,0|2,0,0]=4 195 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [1,1,0,0,0,0|0,0,2]=4 199 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [1,1,0,0,0,0|1,0,0]=3 201 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [1,1,0,0,0,0|0,0,0]=2 202 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [1,1,0,0,0,0|1,0,1]=4 203 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [1,1,0,0,0,0|0,0,2]=4 204 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [1,1,0,0,0,0|1,0,1]=4 207 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [1,1,0,0,0,0|2,0,0]=4 209 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [1,1,0,0,0,0|0,0,2]=4 211 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [1,1,0,0,0,0|0,0,2]=4 212 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [1,1,0,0,0,0|1,0,1]=4 214 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [1,1,0,0,0,0|2,0,0]=4 215 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [1,1,0,0,0,0|0,0,2]=4 216 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [1,1,0,0,0,0|2,0,0]=4 217 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|0,0,2]=4 218 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [1,1,0,0,0,0|0,0,2]=4 219 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,1,0,0,0,0|1,0,0]=3 220 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,1,0,0,0,0|2,0,0]=4 221 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [1,1,0,0,0,0|0,0,0]=2 222 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,1,0,0,0,0|1,0,0]=3 223 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,1,0,0,0,0|2,0,0]=4 224 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,1,0,0,0,0|1,0,0]=3 225 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [1,1,0,0,0,0|0,0,2]=4 226 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [1,1,0,0,0,0|0,0,2]=4 227 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [1,1,0,0,0,0|2,0,0]=4 228 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [1,1,0,0,0,0|2,0,0]=4 229 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [1,1,0,0,0,0|2,0,0]=4 230 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [1,1,0,0,0,0|2,0,0]=4 231 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [1,1,0,0,0,0|2,0,0]=4 232 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [1,1,0,0,0,0|2,0,0]=4 233 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [1,1,0,0,0,0|2,0,0]=4 234 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [1,1,0,0,0,0|2,0,0]=4 235 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [1,1,0,0,0,0|2,0,0]=4 236 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [1,1,0,0,0,0|2,0,0]=4 238 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [1,1,0,0,0,0|2,0,0]=4 240 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [1,1,0,0,0,0|2,0,0]=4 241 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [1,1,0,0,0,0|1,0,0]=3 243 B9R0.37 CCCC(O)C(CC)CO CNP0300042.0 [1,1,0,0,0,0|0,0,1]=3 244 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.40 CCCC[C@H](/C=N/O)CC CNP0161686.1 [1,1,0,0,0,0|0,0,2]=4 246 B9R0.43 CCC(CC)CCC(C)C CNP0312262.0 [1,1,0,0,0,0|1,0,1]=4 247 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.67 CCCCC(C)(CC)CC CNP0076399.0 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.15 CCCC(CCC)C(=O)N CNP0104978.0 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.15 CCCC(CCC)C(=O)O CNP0384704.0 [1,1,0,0,0,0|2,0,0]=4 253 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0581160.0 [1,1,0,0,0,0|2,0,0]=4 254 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0588550.0 [1,1,0,0,0,0|2,0,0]=4 255 B9R0.29 CCC(C)C(CC)C(=O)N CNP0490151.0 [1,1,0,0,0,0|2,0,0]=4 256 B9R0.33 CCCC(C(=O)O)C(C)C CNP0499654.0 [1,1,0,0,0,0|2,0,0]=4 257 B9R0.39 CC(=O)C(=NO)CC(C)C CNP0159889.0 [1,1,0,0,0,0|1,0,1]=4 258 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [1,1,0,0,0,0|1,1,0]=4 259 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [1,1,0,0,0,0|2,0,0]=4 260 B11R0.47 CCCC[C@H](CCC)OC(=O)C CNP0156291.1 [0,1,0,0,0,1|1,0,0]=3 261 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,1,0,0,0,1|1,0,1]=4 262 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,1,0,0,0,1|1,0,1]=4 263 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,1,0,0,0,1|1,0,0]=3 264 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,1,0,0,0,1|1,0,0]=3 265 B11R0.143 CC(=O)OCC(CO)OC(=O)C CNP0397084.0 [0,1,0,0,0,1|1,0,1]=4 266 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O CNP0254426.1 [0,1,0,0,0,1|1,0,1]=4 267 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O CNP0277604.1 [0,1,0,0,0,1|1,0,1]=4 268 B11R0.162 CCC(CCNC)N(C)C(=O)C CNP0344745.0 [0,1,0,0,0,1|2,0,0]=4 269 B11R0.108 CCC(C)CC(C(=O)O)C(C)C CNP0540646.0 [0,2,0,0,0,0|2,0,0]=4 270 B11R0.153 CCCCCC(C(=O)O)C(=O)O CNP0584632.0 [0,2,0,0,0,0|1,0,1]=4 271 B11R0.263 O=C(O)[C@@](O)(CO)C[C@@H](O)CO CNP0105411.1 [0,2,0,0,0,0|2,0,0]=4 272 B11R0.275 C=C(C)[C@@H](CO)C[C@@H](O)C(=C)C CNP0281913.1 [0,2,0,0,0,0|1,0,1]=4 273 B11R0.275 C=C(C)[C@H](CO)C[C@@H](O)C(=C)C CNP0281913.2 [0,2,0,0,0,0|1,0,1]=4 274 B11R0.332 CCC(CC(C)(C)CC)C(=O)O CNP0577287.0 [0,2,0,0,0,0|2,0,0]=4 275 B11R0.90 CCC(C)CCC(CO)C(C)C CNP0350619.0 [0,2,0,0,0,0|1,0,1]=4 276 B11R0.371 CCC(C)(CCC(C)C)C(=O)O CNP0169139.0 [0,2,0,0,0,0|2,0,0]=4 277 B11R0.75 CCCCCC(CC)C(=O)OC CNP0271120.0 [0,2,0,0,0,0|1,0,0]=3 278 B11R0.191 C=COC(=O)C(CC)CCCC CNP0559773.0 [0,2,0,0,0,0|1,0,1]=4 279 B11R0.191 CCCCC(CC)C(=O)OCC CNP0003276.0 [0,2,0,0,0,0|1,0,0]=3 280 B11R0.76 CCCCCCC(CC)C(=O)C CNP0533246.0 [0,2,0,0,0,0|1,0,0]=3 281 B11R0.36 CCCCN(CCCC)C(=O)C CNP0611687.0 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,0]=2 283 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|1,0,0]=3 284 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [1,0,0,1,0,0|1,0,1]=4 286 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [1,0,0,1,0,0|0,0,2]=4 287 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [1,0,0,1,0,0|1,0,1]=4 288 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|0,0,0]=2 289 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|1,0,0]=3 290 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [1,0,0,1,0,0|1,0,1]=4 292 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,1,0,0|1,0,0]=3 293 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [1,0,0,1,0,0|2,0,0]=4 295 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,1,0,0|1,0,0]=3 296 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|1,0,0]=3 297 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [1,0,0,1,0,0|2,0,0]=4 298 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,1,0,0|2,0,0]=4 299 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [1,0,0,1,0,0|2,0,0]=4 302 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,1,0,0|2,0,0]=4 303 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [1,0,0,1,0,0|0,0,2]=4 305 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [1,0,0,1,0,0|2,0,0]=4 306 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [1,0,0,1,0,0|1,0,1]=4 307 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [1,0,0,1,0,0|2,0,0]=4 308 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [1,0,0,1,0,0|1,0,0]=3 309 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [1,0,0,1,0,0|2,0,0]=4 310 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [1,0,0,1,0,0|2,0,0]=4 312 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [1,0,0,1,0,0|2,0,0]=4 313 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [1,0,0,1,0,0|2,0,0]=4 314 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [1,0,0,1,0,0|2,0,0]=4 315 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [1,0,0,1,0,0|1,0,1]=4 316 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [1,0,0,1,0,0|1,0,1]=4 317 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [1,0,0,1,0,0|0,0,2]=4 318 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [1,0,0,1,0,0|1,0,0]=3 319 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [1,0,0,1,0,0|1,0,0]=3 320 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [1,0,0,1,0,0|1,0,0]=3 321 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [1,0,0,1,0,0|1,0,1]=4 322 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [1,0,0,1,0,0|2,0,0]=4 323 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [1,0,0,1,0,0|2,0,0]=4 325 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [1,0,0,1,0,0|2,0,0]=4 326 B9R1.112 CC(=O)[C@H](C)CC1=CC1 CNP0344604.1 [1,0,0,1,0,0|0,0,2]=4 327 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [1,0,0,1,0,0|2,0,0]=4 328 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [1,0,0,1,0,0|2,0,0]=4 329 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [1,0,0,1,0,0|2,0,0]=4 330 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [1,0,0,1,0,0|2,0,0]=4 331 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [1,0,0,1,0,0|1,0,1]=4 332 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [1,0,0,1,0,0|1,0,1]=4 333 B9R1.1 OC[C@@H]1CC[C@H](CN1)O CNP0271458.1 [1,0,0,1,0,0|2,0,0]=4 334 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|1,0,1]=4 335 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,0,0,1,0,0|0,1,1]=4 336 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|2,0,0]=4 337 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,0]=3 338 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,0,0,1,0,0|1,0,1]=4 339 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|2,0,0]=4 340 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|2,0,0]=4 341 B9R1.15 O=C1COCCC1CO CNP0612158.0 [1,0,0,1,0,0|1,0,0]=3 342 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [1,0,0,1,0,0|2,0,0]=4 343 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|2,0,0]=4 344 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|2,0,0]=4 345 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,0,0,1,0,0|2,0,0]=4 346 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,0,0,1,0,0|2,0,0]=4 347 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [1,0,0,1,0,0|2,0,0]=4 348 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [1,0,0,1,0,0|2,0,0]=4 349 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [1,0,0,1,0,0|2,0,0]=4 350 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [1,0,0,1,0,0|2,0,0]=4 351 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [1,0,0,1,0,0|2,0,0]=4 352 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [1,0,0,1,0,0|2,0,0]=4 353 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,0,0,1,0,1|2,0,0]=4 354 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,0,0,1,0,1|2,0,0]=4 355 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,0,0,1,0,1|1,0,0]=3 356 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,0,0,1,0,1|0,0,0]=2 357 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,0,0,1,0,1|2,0,0]=4 358 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,0,0,1,0,1|2,0,0]=4 359 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,0,0,1,0,1|0,0,0]=2 360 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,0,0,1,0,1|1,0,0]=3 361 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,0,0,1,0,1|1,0,0]=3 362 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,0,0,1,0,1|1,0,0]=3 363 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,0,0,1,0,1|1,0,0]=3 364 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,0,0,1,0,1|2,0,0]=4 365 B11R1.166 C=C(C)[C@@H]1CCC(=C[C@H]1O)C CNP0337621.2 [0,1,0,1,0,0|1,0,1]=4 366 B11R1.166 C=C(C)[C@@H]1CC[C@@H](CC1=O)C CNP0179926.4 [0,1,0,1,0,0|1,0,1]=4 367 B11R1.166 C=C(C)[C@@H]1CC[C@@H](C[C@@H]1O)C CNP0232477.6 [0,1,0,1,0,0|1,0,0]=3 368 B11R1.166 C=C(C)[C@@H]1CC[C@@H](C[C@H]1O)C CNP0232477.7 [0,1,0,1,0,0|1,0,0]=3 369 B11R1.166 C=C(C)[C@@H]1CC[C@H](C=C1O)C CNP0282932.1 [0,1,0,1,0,0|1,0,1]=4 370 B11R1.166 C=C(C)[C@@H]1CC[C@H](CC1=O)C CNP0179926.1 [0,1,0,1,0,0|1,0,1]=4 371 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@@H]1O)C CNP0232477.2 [0,1,0,1,0,0|1,0,0]=3 372 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@H]1O)C CNP0232477.4 [0,1,0,1,0,0|1,0,0]=3 373 B11R1.166 C=C(C)[C@@H]1[CH]C[C@H](C[C@@H]1O)C CNP0519094.1 [0,1,0,1,0,0|1,0,1]=4 374 B11R1.166 C=C(C)[C@H]1CCC(=C[C@@H]1O)C CNP0337621.1 [0,1,0,1,0,0|1,0,1]=4 375 B11R1.166 C=C(C)[C@H]1CCC(=C[C@H]1O)C CNP0337621.3 [0,1,0,1,0,0|1,0,1]=4 376 B11R1.166 C=C(C)[C@H]1CC[C@@H](C=C1O)C CNP0282932.2 [0,1,0,1,0,0|1,0,1]=4 377 B11R1.166 C=C(C)[C@H]1CC[C@@H](CC1=O)C CNP0179926.2 [0,1,0,1,0,0|1,0,1]=4 378 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@@H]1O)C CNP0232477.5 [0,1,0,1,0,0|1,0,0]=3 379 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@H]1O)C CNP0232477.3 [0,1,0,1,0,0|1,0,0]=3 380 B11R1.166 C=C(C)[C@H]1CC[C@H](CC1=O)C CNP0179926.3 [0,1,0,1,0,0|1,0,1]=4 381 B11R1.166 C=C(C)[C@H]1CC[C@H](C[C@H]1O)C CNP0232477.1 [0,1,0,1,0,0|1,0,0]=3 382 B11R1.166 C=C1CC[C@@H]([C@H](C1)O)C(=C)C CNP0275862.2 [0,1,0,1,0,0|1,0,1]=4 383 B11R1.166 C=C1CC[C@H]([C@@H](C1)O)C(=C)C CNP0275862.1 [0,1,0,1,0,0|1,0,1]=4 384 B11R1.166 CC(=C1CC[C@@H](C[C@H]1O)C)C CNP0199137.2 [0,1,0,1,0,0|1,0,1]=4 385 B11R1.166 CC(=C1CC[C@H](C[C@H]1O)C)C CNP0199137.1 [0,1,0,1,0,0|1,0,1]=4 386 B11R1.166 CC(=O)[C@@H]1CCC(=C[C@H]1C)C CNP0099950.1 [0,1,0,1,0,0|1,0,1]=4 387 B11R1.166 CC(=O)[C@@H]1CC[C@@H](CC1=O)C CNP0076630.1 [0,1,0,1,0,0|0,0,2]=4 388 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [0,1,0,1,0,0|1,0,0]=3 389 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [0,1,0,1,0,0|1,0,0]=3 390 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.8 [0,1,0,1,0,0|1,0,1]=4 391 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@H]1O)C CNP0243697.9 [0,1,0,1,0,0|1,0,1]=4 392 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [0,1,0,1,0,0|1,0,0]=3 393 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1O)C CNP0243697.5 [0,1,0,1,0,0|1,0,1]=4 394 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C CNP0243697.6 [0,1,0,1,0,0|1,0,1]=4 395 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [0,1,0,1,0,0|1,0,0]=3 396 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.7 [0,1,0,1,0,0|1,0,1]=4 397 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@H]1O)C CNP0243697.4 [0,1,0,1,0,0|1,0,1]=4 398 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [0,1,0,1,0,0|1,0,0]=3 399 B11R1.166 CC(C)[C@H]1CC[C@H](CC1O)C CNP0243697.3 [0,1,0,1,0,0|1,0,1]=4 400 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C CNP0243697.10 [0,1,0,1,0,0|1,0,1]=4 401 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1O)C CNP0243697.1 [0,1,0,1,0,0|1,0,1]=4 402 B11R1.166 CC1CCC(C(=S)C1)C(C)C CNP0266622.0 [0,1,0,1,0,0|1,1,0]=4 403 B11R1.166 CC1CC[C@@H]([C@H](C1)O)C(C)C CNP0243697.2 [0,1,0,1,0,0|1,0,1]=4 404 B11R1.177 CC(=O)C1CCCCC1(C)C CNP0573229.0 [0,1,0,1,0,0|1,0,0]=3 405 B11R1.21 C=C(C)C1C=C(C(CC1)C)O CNP0095337.0 [0,1,0,1,0,0|1,0,1]=4 406 B11R1.21 C=C(C)C1CCC(=C(C1)O)C CNP0133424.0 [0,1,0,1,0,0|1,0,1]=4 407 B11R1.21 C=C(C)C1CC[C@H](C(=O)C1)C CNP0183834.2 [0,1,0,1,0,0|1,0,1]=4 408 B11R1.21 C=C(C)C1CC[C@H]([C@@H](C1)O)C CNP0390712.2 [0,1,0,1,0,0|1,0,0]=3 409 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C(=O)C1)C CNP0183834.4 [0,1,0,1,0,0|1,0,1]=4 410 B11R1.21 C=C(C)[C@@H]1CC[C@@H]([C@@H](C1)O)C CNP0390712.4 [0,1,0,1,0,0|1,0,0]=3 411 B11R1.21 C=C(C)[C@@H]1CC[C@@H]([C@H](C1)O)C CNP0390712.1 [0,1,0,1,0,0|1,0,0]=3 412 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(=O)C1)C CNP0183834.1 [0,1,0,1,0,0|1,0,1]=4 413 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(C1)O)C CNP0390712.8 [0,1,0,1,0,0|1,0,0]=3 414 B11R1.21 C=C(C)[C@@H]1CC[C@H]([C@@H](C1)O)C CNP0390712.5 [0,1,0,1,0,0|1,0,0]=3 415 B11R1.21 C=C(C)[C@@H]1CC[C@H]([C@H](C1)O)C CNP0390712.6 [0,1,0,1,0,0|1,0,0]=3 416 B11R1.21 C=C(C)[C@H]1CC[C@@H](C(=O)C1)C CNP0183834.5 [0,1,0,1,0,0|1,0,1]=4 417 B11R1.21 C=C(C)[C@H]1CC[C@@H]([C@@H](C1)O)C CNP0390712.3 [0,1,0,1,0,0|1,0,0]=3 418 B11R1.21 C=C(C)[C@H]1CC[C@@H]([C@H](C1)O)C CNP0390712.7 [0,1,0,1,0,0|1,0,0]=3 419 B11R1.21 C=C(C)[C@H]1CC[C@H](C(=O)C1)C CNP0183834.3 [0,1,0,1,0,0|1,0,1]=4 420 B11R1.21 C=C(C)[C@H]1CC[C@H]([C@@H](C1)O)C CNP0390712.10 [0,1,0,1,0,0|1,0,0]=3 421 B11R1.21 C=C(C)[C@H]1CC[C@H]([C@H](C1)O)C CNP0390712.9 [0,1,0,1,0,0|1,0,0]=3 422 B11R1.21 CC(C)[C@@H]1CC[C@@H]([C@H](C1)O)C CNP0166770.2 [0,1,0,1,0,0|1,0,1]=4 423 B11R1.21 CC(C)[C@@H]1CC[C@H]([C@H](C1)O)C CNP0166770.3 [0,1,0,1,0,0|1,0,1]=4 424 B11R1.21 CC(C)[C@H]1CC[C@@H]([C@H](C1)O)C CNP0166770.1 [0,1,0,1,0,0|1,0,1]=4 425 B11R1.21 CC(C)[C@H]1CC[C@H]([C@H](C1)O)C CNP0166770.4 [0,1,0,1,0,0|1,0,1]=4 426 B11R1.672 CC(=O)[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O CNP0318989.1 [0,1,0,1,0,0|2,0,0]=4 427 B11R1.390 CC1=C(CCC(C1)(C)C)CO CNP0136532.0 [0,1,0,1,0,0|1,0,1]=4 428 B11R1.515 C=C(C)[C@H]1CC[C@]([C@@H]1C)(C)O CNP0344098.1 [0,1,0,1,0,0|2,0,0]=4 429 B11R1.727 C=C(C)[C@H]1CC[C@@](CC1)(C)O CNP0342537.2 [0,1,0,1,0,0|2,0,0]=4 430 B11R1.727 C=C(C)[C@H]1CC[C@](CC1)(C)O CNP0342537.1 [0,1,0,1,0,0|2,0,0]=4 431 B11R1.22 C=C(CO)[C@H]1CC[C@@H](CC1)C CNP0248484.1 [0,1,0,1,0,0|2,0,0]=4 432 B11R1.1472 CNC1(CCCC1)C(=O)OC CNP0588007.0 [0,1,0,1,0,0|2,0,0]=4 433 B11R1.3 C=C(C)[C@H]1CC[C@@H](CC1)CO CNP0402738.1 [0,1,0,1,0,0|2,0,0]=4 434 B11R1.3 C=C(C)[C@H]1CC[C@H](CC1)CO CNP0402738.2 [0,1,0,1,0,0|2,0,0]=4 435 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O CNP0204071.1 [0,1,0,1,0,0|2,0,0]=4 436 B11R1.159 C=C(C)C1CCCC(C1C)O CNP0518482.0 [0,1,0,1,0,0|2,0,0]=4 437 B11R1.159 O=C(O)C1NCCC(C1O)O CNP0528572.0 [0,1,0,1,0,0|2,0,0]=4 438 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,1,0,0|1,0,0]=3 439 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|2,0,0]=4 440 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,1,0,1,0,0|1,0,1]=4 441 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,1,0,1,0,0|1,0,1]=4 442 B11R1.298 CCC(C(=O)C)N1CCCC1 CNP0318500.0 [0,1,0,1,0,0|1,0,0]=3 443 B11R1.64 C=C(C)C1CCC(C1C=O)C CNP0109366.0 [0,1,0,1,0,0|1,0,1]=4 444 B11R1.64 C=C(C)[C@@H]1CC[C@H]([C@H]1C=O)C CNP0109366.1 [0,1,0,1,0,0|1,0,1]=4 445 B11R1.156 C=C(C)C1C(=C)CCCC1O CNP0503052.0 [0,1,0,1,0,0|1,0,1]=4 446 B11R1.220 CC(=O)[C@@]1(CC=C(CC1)C)C CNP0198541.2 [0,1,0,1,0,0|1,0,1]=4 447 B11R1.220 CC(=O)[C@]1(CC=C(CC1)C)C CNP0198541.1 [0,1,0,1,0,0|1,0,1]=4 448 B11R1.220 CC1CCC(CC1)(N)C(=O)O CNP0542248.0 [0,1,0,1,0,0|2,0,0]=4 449 B11R1.373 O=C1CC(OC1(O)CO)CO CNP0067197.0 [0,1,0,1,0,0|2,0,0]=4 450 B11R1.373 O=C1O[C@H](C[C@]1(O)CO)CO CNP0276820.1 [0,1,0,1,0,0|2,0,0]=4 451 B11R1.520 C[C@@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.4 [0,1,0,1,0,0|2,0,0]=4 452 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(=O)O CNP0518909.1 [0,1,0,1,0,0|2,0,0]=4 453 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.2 [0,1,0,1,0,0|2,0,0]=4 454 B11R1.520 C[C@H]1CCCC[C@]1(N)C(=O)O CNP0518909.3 [0,1,0,1,0,0|2,0,0]=4 455 B11R1.737 NC1(CCCCCC1)C(=O)O CNP0306705.0 [0,1,0,1,0,0|2,0,0]=4 456 B11R1.1047 CC1CC[C@](C(C1)C)(C)CO CNP0245185.1 [0,1,0,1,0,0|1,0,1]=4 457 B11R1.1047 C[C@@H]1CC[C@]([C@@H](C1)C)(C)CO CNP0245185.5 [0,1,0,1,0,0|1,0,1]=4 458 B11R1.1047 C[C@@H]1CC[C@]([C@H](C1)C)(C)CO CNP0245185.3 [0,1,0,1,0,0|1,0,1]=4 459 B11R1.1047 C[C@H]1CC[C@]([C@@H](C1)C)(C)CO CNP0245185.2 [0,1,0,1,0,0|1,0,1]=4 460 B11R1.1047 C[C@H]1CC[C@]([C@H](C1)C)(C)CO CNP0245185.4 [0,1,0,1,0,0|1,0,1]=4 461 B11R1.1191 C[C@@H]1CC[C@@](C1(C)C)(C)CO CNP0100012.1 [0,1,0,1,0,0|1,0,1]=4 462 B11R1.1191 C[C@@H]1CC[C@](C1(C)C)(C)CO CNP0100012.2 [0,1,0,1,0,0|1,0,1]=4 463 B11R1.1191 C[C@H]1CC[C@@](C1(C)C)(C)CO CNP0100012.3 [0,1,0,1,0,0|1,0,1]=4 464 B11R1.1191 C[C@H]1CC[C@](C1(C)C)(C)CO CNP0100012.4 [0,1,0,1,0,0|1,0,1]=4 465 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|2,0,0]=4 466 B11R2.169 O=C1C[C@H]2N1C[C@@H](O2)CO CNP0213328.1 [0,0,0,2,0,0|2,0,0]=4 467 B11R2.169 O=C1C[C@H]2N1C[C@H](O2)CO CNP0213328.2 [0,0,0,2,0,0|2,0,0]=4 468 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,0,0,2,0,0|2,0,0]=4 469 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,0,0,2,0,0|2,0,0]=4 470 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,0,0,2,0,0|2,0,0]=4 471 B11R2.732 CC1([C@@H]2CC[C@H]1[C@@H](C2)O)C CNP0048179.2 [0,0,0,2,0,0|1,0,1]=4 472 B11R2.732 CC1([C@H]2CC[C@@H]1[C@@H](C2)O)C CNP0048179.1 [0,0,0,2,0,0|1,0,1]=4 473 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [1,0,0,0,0,1|1,0,1]=4 474 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,0,0,0,0,1|0,0,2]=4 475 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,0,0,0,0,1|2,0,0]=4 476 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [1,0,0,0,0,1|1,0,1]=4 477 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,0,0,0,0,1|0,0,0]=2 478 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,0,0,0,0,1|2,0,0]=4 479 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [1,0,0,0,0,1|1,0,1]=4 480 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [1,0,0,0,0,1|1,0,1]=4 481 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [1,0,0,0,0,1|1,0,1]=4 482 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [1,0,0,0,0,1|1,0,0]=3 483 B9R0.14 CCCC(CO)CC(C)C CNP0076276.0 [1,0,0,0,0,1|1,0,1]=4 484 B11R0.164 CCCCC(CC)CCC(=O)O CNP0002943.0 [0,0,0,0,0,2|2,0,0]=4 485 B11R0.164 CCCC[C@H](CC)COC(=O)C CNP0084871.1 [0,0,0,0,0,2|1,0,0]=3