0 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,0,0,0,0,0|0,0,4]=4 12 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,0,0,0,0,0|1,0,3]=4 13 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,0,0,0,0,0|0,0,0]=0 22 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,0,0,0,0,0|1,0,0]=1 23 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.8 CN(CCC#N)C(=O)N CNP0085962.0 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,0,0,0,0,0|1,0,0]=1 41 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,0,0,0,0,0|2,0,1]=3 49 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,0,0,0,0,0|2,0,0]=2 51 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,0,0,0,0,0|3,0,0]=3 53 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,0,0,0,0,0|2,0,0]=2 58 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|0,0,2]=3 61 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,0,0,0,0,0|0,0,1]=2 68 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,0,0,0,0,0|1,0,1]=3 69 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,0,0,0,0|0,0,0]=1 70 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|1,0,1]=3 72 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,0,0,0,0,0|0,0,1]=2 73 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|1,0,0]=2 81 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,0,0,0,0|0,0,2]=3 82 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,0,0,0,0|0,0,2]=3 87 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|0,0,2]=3 89 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|0,0,2]=3 91 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,0]=2 93 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|0,0,0]=1 94 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|0,1,0]=2 95 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|0,0,0]=1 97 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|1,0,1]=3 99 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|1,1,1]=4 100 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|1,1,1]=4 103 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,0,0,0,0,0|2,1,0]=4 104 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,0,0,0,0|1,0,1]=3 114 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,0,0,0,0|2,0,0]=3 116 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,0,0,0,0|2,0,0]=3 118 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|1,0,0]=2 119 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,0,0,0,0,0|1,0,2]=4 122 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,0,0,0,0,0|1,0,2]=4 123 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,0,0,0,0,0|1,0,2]=4 125 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,0,0,0,0|1,0,2]=4 126 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,0,0,0,0|0,0,2]=3 127 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,0,0,0,0,0|1,0,2]=4 128 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,0,0,0,0,0|1,0,2]=4 130 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,0,0,0,0|0,0,2]=3 131 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,0,0,0,0|0,0,2]=3 132 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,0,0,0,0|1,0,0]=2 136 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,0,0,0,0|1,0,0]=2 138 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,0,0,0,0|0,0,0]=1 139 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,0,0,0,0|1,0,0]=2 140 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,0,0,0,0|2,0,0]=3 141 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,0,0,0,0|1,0,0]=2 142 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,0,0,0,0|1,0,0]=2 143 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,0,0,0,0|0,0,0]=1 144 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,0,0,0,0|1,0,0]=2 147 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,0,0,0,0|1,0,0]=2 148 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,0,0,0,0|2,0,0]=3 149 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,0,0,0,0,0|2,0,0]=3 151 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,0,0,0,0,0|2,0,0]=3 153 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,0,0,0,0|1,0,0]=2 154 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,0,0,0,0|1,0,0]=2 155 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,0,0,0,0,0|2,0,0]=3 156 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,0,0,0,0,0|2,0,0]=3 165 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,0,0,0,0,0|2,0,0]=3 166 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,0,0,0,0,0|2,0,0]=3 172 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,0,0,0,0,0|2,0,0]=3 173 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,0,0,0,0,0|3,0,0]=4 174 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,0,0,0,0,0|2,0,0]=3 176 B9R0.3 CCCC[C@H](N)P(=O)(O)O CNP0507860.1 [0,1,0,0,0,0|2,0,0]=3 177 B9R0.3 CSCC[C@H](N)P(=O)(O)O CNP0564591.1 [0,1,0,0,0,0|3,0,0]=4 178 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.6 CC#C[C@@H](O)[C@H](N)C(=O)O CNP0185088.1 [0,1,0,0,0,0|1,0,2]=4 180 B9R0.6 CC#C[C@H](O)[C@H](N)C(=O)O CNP0185088.2 [0,1,0,0,0,0|1,0,2]=4 181 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,1,0,0,0,0|1,0,0]=2 182 B9R0.6 CCC[C@@H](O)[C@@H](C)[C@@H](C)O CNP0066149.2 [0,1,0,0,0,0|1,0,1]=3 183 B9R0.6 CCC[C@@H](O)[C@H](C)[C@@H](C)O CNP0066149.1 [0,1,0,0,0,0|1,0,1]=3 184 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,1,0,0,0,0|1,0,0]=2 185 B9R0.6 CCC[C@H](O)[C@@H](C)[C@@H](C)O CNP0066149.3 [0,1,0,0,0,0|1,0,1]=3 186 B9R0.6 CCC[C@H](O)[C@H](C)[C@@H](C)O CNP0066149.4 [0,1,0,0,0,0|1,0,1]=3 187 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,1,0,0,0,0|2,0,0]=3 189 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,1,0,0,0,0|2,0,0]=3 190 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,1,0,0,0,0|1,0,2]=4 191 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,1,0,0,0,0|1,0,1]=3 192 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [0,1,0,0,0,0|1,0,2]=4 193 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [0,1,0,0,0,0|1,0,2]=4 194 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,1,0,0,0,0|1,0,2]=4 195 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,1,0,0,0,0|0,0,1]=2 196 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,1,0,0,0,0|1,0,1]=3 197 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,1,0,0,0,0|2,0,1]=4 198 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,1,0,0,0,0|1,0,1]=3 199 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,1,0,0,0,0|1,0,0]=2 204 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,1,0,0,0,0|2,0,0]=3 205 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,1,0,0,0,0|1,0,1]=3 206 B9R0.7 CC(CNC(=O)N)C(=O)O CNP0374758.0 [0,1,0,0,0,0|2,0,1]=4 207 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,1,0,0,0,0|1,0,0]=2 208 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,0,0,0,0|1,0,0]=2 209 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,1,0,0,0,0|2,0,0]=3 210 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,1,0,0,0,0|3,0,0]=4 211 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,1,0,0,0,0|2,0,1]=4 212 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,0,0,0,0|1,0,0]=2 213 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,1,0,0,0,0|2,0,0]=3 215 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,1,0,0,0,0|2,0,0]=3 216 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,1,0,0,0,0|2,0,1]=4 217 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,1,0,0,0,0|2,0,1]=4 218 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,1,0,0,0,0|2,0,0]=3 219 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,1,0,0,0,0|2,0,0]=3 220 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,1,0,0,0,0|2,0,0]=3 222 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,1,0,0,0,0|2,0,0]=3 224 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,1,0,0,0,0|2,0,0]=3 225 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,1,0,0,0,0|2,0,0]=3 226 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,1,0,0,0,0|2,0,0]=3 227 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,1,0,0,0,0|2,0,0]=3 228 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,1,0,0,0,0|2,0,0]=3 229 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,1,0,0,0,0|2,0,0]=3 230 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [0,1,0,0,0,0|2,0,1]=4 232 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,1,0,0,0,0|3,0,0]=4 233 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,1,0,0,0,0|3,0,0]=4 237 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [0,1,0,0,0,0|2,0,1]=4 240 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|1,0,1]=3 241 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,1,0,0,0,0|2,0,1]=4 242 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,1,0,0,0,0|2,0,0]=3 243 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|1,0,0]=2 244 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [0,1,0,0,0,0|1,0,2]=4 245 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,1,0,0,0,0|2,0,0]=3 246 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|1,0,0]=2 247 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,0,0,0,0|2,0,0]=3 248 B9R0.13 C/C=C/N[C@H](CS)C(=O)O CNP0077164.1 [0,1,0,0,0,0|1,0,2]=4 249 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,1,0,0,0,0|2,0,0]=3 250 B9R0.13 C=CCNC(CS)C(=O)O CNP0076452.0 [0,1,0,0,0,0|1,0,2]=4 251 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,1,0,0,0,0|1,0,1]=3 252 B9R0.13 CCCCC(CC)C(C)C CNP0593985.0 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,1,0,0,0,0|1,0,0]=2 254 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,1,0,0,0,0|1,0,0]=2 255 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,1,0,0,0,0|0,0,0]=1 256 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,1,0,0,0,0|0,0,0]=1 257 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,1,0,0,0,0|0,0,0]=1 258 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,1,0,0,0,0|0,0,0]=1 259 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [0,1,0,0,0,0|1,0,0]=2 260 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,1,0,0,0,0|1,0,2]=4 261 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,1,0,0,0,0|1,0,2]=4 262 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,1,0,0,0,0|1,0,2]=4 263 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,1,0,0,0,0|1,0,2]=4 264 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,1,0,0,0,0|1,0,1]=3 265 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,1,0,0,0,0|1,0,2]=4 266 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,1,0,0,0,0|1,0,2]=4 267 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,1,0,0,0,0|2,0,1]=4 268 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,1,0,0,0,0|1,0,1]=3 269 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,1,0,0,0,0|1,0,1]=3 270 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,0,0,0,0|1,0,0]=2 271 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,1,0,0,0,0|1,0,0]=2 272 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,1,0,0,0,0|1,0,2]=4 273 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,1,0,0,0,0|1,0,2]=4 274 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,0,0,0,0|1,0,0]=2 275 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,1,0,0,0,0|2,0,0]=3 276 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,1,0,0,0,0|2,0,0]=3 277 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,1,0,0,0,0|2,0,0]=3 278 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,1,0,0,0,0|2,0,1]=4 279 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,1,0,0,0,0|2,0,1]=4 280 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.42 C[C@@H](NC(=O)CN)C(=O)O CNP0299268.2 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,1,0,0,0,0|2,0,0]=3 283 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CNP0299268.1 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,1,0,0,0,0|2,0,0]=3 285 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,1,0,0,0,0|2,0,1]=4 286 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,1,0,0,0,0|2,0,0]=3 287 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,1,0,0,0,0|2,0,1]=4 288 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,1,0,0,0,0|2,0,1]=4 289 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,1,0,0,0,0|2,0,0]=3 290 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,1,0,0,0,0|2,0,0]=3 291 B9R0.47 C/C=C/SC[C@H](N)C(=O)O CNP0158331.1 [0,1,0,0,0,0|1,0,2]=4 292 B9R0.47 C/C=C\SC[C@H](N)C(=O)O CNP0158331.2 [0,1,0,0,0,0|1,0,2]=4 293 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|1,0,2]=4 294 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [0,1,0,0,0,0|1,0,2]=4 295 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [0,1,0,0,0,0|1,0,2]=4 296 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [0,1,0,0,0,0|1,0,0]=2 297 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|2,0,1]=4 298 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,1,0,0,0,0|1,0,1]=3 299 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,0,0,0,0|0,0,0]=1 300 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,0,0,0,0|1,0,0]=2 301 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,0,0,0,0|2,0,0]=3 302 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,0,0,0,0|1,0,0]=2 303 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,0,0,0,0|1,0,0]=2 304 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,0,0,0,0|1,0,0]=2 305 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,1,0,0,0,0|2,0,1]=4 306 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,1,0,0,0,0|1,0,0]=2 308 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,1,0,0,0,0|1,0,0]=2 309 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,1,0,0,0,0|1,0,0]=2 310 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,1,0,0,0,0|1,0,0]=2 311 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,1,0,0,0,0|1,0,0]=2 312 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,1,0,0,0,0|1,0,0]=2 313 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,1,0,0,0,0|1,0,0]=2 314 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,1,0,0,0,0|1,0,1]=3 315 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,1,0,0,0,0|1,0,0]=2 316 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,1,0,0,0,0|1,0,0]=2 317 B9R0.47 CSCSC[C@H](N)C(=O)O CNP0280822.1 [0,1,0,0,0,0|2,0,0]=3 318 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [0,1,0,0,0,0|1,0,2]=4 319 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,1,0,0,0,0|1,0,1]=3 320 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,1,0,0,0,0|1,0,0]=2 321 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,1,0,0,0,0|2,0,0]=3 322 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,1,0,0,0,0|1,0,0]=2 323 B9R0.47 NCCOC[C@@H](N)C(=O)O CNP0214099.2 [0,1,0,0,0,0|2,0,0]=3 324 B9R0.47 NCCOC[C@H](N)C(=O)O CNP0214099.1 [0,1,0,0,0,0|2,0,0]=3 325 B9R0.47 NCCSC[C@H](N)C(=O)O CNP0297414.1 [0,1,0,0,0,0|2,0,0]=3 326 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,1,0,0,0,0|1,0,0]=2 327 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,1,0,0,0,0|1,0,1]=3 328 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,1,0,0,0,0|1,0,0]=2 329 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,1,0,0,0,0|2,0,0]=3 330 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [0,1,0,0,0,0|2,0,0]=3 331 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [0,1,0,0,0,0|2,0,0]=3 332 B9R0.47 N[C@H](CC#CCO)C(=O)O CNP0253353.1 [0,1,0,0,0,0|1,0,2]=4 333 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,1,0,0,0,0|1,0,0]=2 334 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,1,0,0,0,0|2,0,0]=3 335 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|1,0,0]=2 337 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|0,0,0]=1 338 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|2,0,0]=3 339 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,0,0,1,0,0|2,0,1]=4 340 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,1,0,0|1,0,2]=4 341 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,0,0,1,0,0|2,0,1]=4 342 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,0,0,1,0,0|1,0,0]=2 343 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,0,0,1,0,0|2,0,0]=3 344 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [0,0,0,1,0,0|3,0,0]=4 345 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,0,0,1,0,0|2,0,1]=4 346 B9R1.6 ClP(Cl)C1CCCCC1 CNP0588827.0 [0,0,0,1,0,0|3,0,0]=4 347 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,0,0,1,0,0|1,0,0]=2 348 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [0,0,0,1,0,0|2,0,0]=3 349 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,0,0,1,0,0|2,0,0]=3 350 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [0,0,0,1,0,0|3,0,0]=4 351 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [0,0,0,1,0,0|3,0,0]=4 352 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,0,0,1,0,0|1,0,0]=2 353 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,0,0,1,0,0|0,0,2]=3 354 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,0,0,1,0,0|1,0,2]=4 355 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,0,0,1,0,0|1,0,2]=4 356 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,0,0,1,0,0|1,0,1]=3 357 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,0,1,0,0|0,0,0]=1 358 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,0,0,1,0,0|1,0,0]=2 359 B9R1.6 O=C(O)C1CSSSC1 CNP0303289.0 [0,0,0,1,0,0|3,0,0]=4 360 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,0,0,1,0,0|1,0,2]=4 361 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,0,0,1,0,0|1,0,2]=4 362 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,0,0,1,0,0|1,0,1]=3 363 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,0,1,0,0|1,0,0]=2 364 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,0,0,1,0,0|1,0,0]=2 365 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,0,0,1,0,0|2,0,0]=3 366 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,0,0,1,0,0|2,0,0]=3 367 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,0,0,1,0,0|0,0,2]=3 368 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,0,1,0,0|1,0,0]=2 369 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,0,0,1,0,0|1,0,0]=2 370 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,0,0,1,0,0|2,0,0]=3 371 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,0,1,0,0|1,0,0]=2 372 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,0,0,1,0,0|1,0,2]=4 373 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,0,0,1,0,0|3,0,0]=4 374 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,0,0,1,0,0|2,0,1]=4 375 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,0,0,1,0,0|2,0,0]=3 376 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,1,0,0|1,0,2]=4 377 B9R1.35 CN1C=N[C@@H](C1)C(=O)O CNP0561353.1 [0,0,0,1,0,0|2,0,1]=4 378 B9R1.35 CN1C=N[C@H](C1)C(=O)O CNP0561353.2 [0,0,0,1,0,0|2,0,1]=4 379 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,1,0,0|1,0,0]=2 380 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,0|0,0,0]=1 381 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,0|1,0,0]=2 382 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,0|1,0,0]=2 383 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,0|1,0,0]=2 384 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,0|1,0,0]=2 385 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,0|1,0,0]=2 386 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,0|1,0,0]=2 387 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,0,0,1,0,0|2,0,0]=3 388 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,0,0,1,0,0|2,0,1]=4 389 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,1,0,0|2,0,0]=3 390 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,0,0,1,0,0|2,0,1]=4 391 B9R1.35 O=C(O)[C@@H]1CS[S+](C1)[O-] CNP0513817.2 [0,0,0,1,0,0|3,0,0]=4 392 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,1,0,0|2,0,0]=3 393 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,0,0,1,0,0|2,0,1]=4 394 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,1,0,0|2,0,0]=3 395 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,0,0,1,0,0|2,0,1]=4 396 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,0,0,1,0,0|2,0,1]=4 397 B9R1.35 O=C(O)[C@H]1CS[S+](C1)[O-] CNP0513817.3 [0,0,0,1,0,0|3,0,0]=4 398 B9R1.35 O=C(O)[C@H]1CS[S@+](C1)[O-] CNP0513817.1 [0,0,0,1,0,0|3,0,0]=4 399 B9R1.35 O=C(O)[C@H]1CS[S@@+](C1)[O-] CNP0513817.4 [0,0,0,1,0,0|3,0,0]=4 400 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,0,0,1,0,0|2,0,1]=4 401 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,1,0,0|2,0,0]=3 402 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,1,0,0|2,0,0]=3 403 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,1,0,0|2,0,1]=4 404 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,0,0|2,0,1]=4 405 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,1,0,0|2,0,1]=4 406 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,0|2,0,1]=4 407 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [0,0,0,1,0,0|2,0,1]=4 408 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,0,0,1,0,0|2,0,1]=4 409 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,0,0,1,0,0|1,0,2]=4 410 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,0,0,1,0,0|1,0,2]=4 411 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,0,0,1,0,0|1,0,2]=4 412 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,0,0,1,0,0|2,0,1]=4 413 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,0,0,1,0,0|0,0,0]=1 414 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,0,0,1,0,0|0,0,0]=1 415 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,0,0,1,0,0|0,0,0]=1 416 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,0,0,1,0,0|2,0,1]=4 417 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,0,0,1,0,0|1,0,0]=2 418 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,0,0,1,0,0|1,0,0]=2 419 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,0,0,1,0,0|1,0,0]=2 420 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,0,0,1,0,0|1,0,0]=2 421 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,0,0,1,0,0|2,0,1]=4 422 B9R1.112 CC(=O)[C@H](C)CC1=CC1 CNP0344604.1 [0,0,0,1,0,0|1,0,2]=4 423 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,0,1,0,0|1,0,0]=2 424 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,0,1,0,0|1,0,0]=2 425 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,0,0,1,0,0|2,0,0]=3 426 B9R1.163 CC1(CC=CO1)C(=O)O CNP0547644.0 [0,0,0,1,0,0|1,0,2]=4 427 B9R1.163 CC1(NCCS1)C(=O)N CNP0304038.0 [0,0,0,1,0,0|3,0,0]=4 428 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [0,0,0,1,0,0|1,0,0]=2 429 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [0,0,0,1,0,0|1,0,0]=2 430 B9R1.163 N[C@@]1(CCNC1)C(=O)O CNP0418958.2 [0,0,0,1,0,0|2,0,0]=3 431 B9R1.163 N[C@@]1(CCSC1)C(=O)O CNP0601612.1 [0,0,0,1,0,0|2,0,0]=3 432 B9R1.163 N[C@]1(CCNC1)C(=O)O CNP0418958.1 [0,0,0,1,0,0|2,0,0]=3 433 B9R1.163 N[C@]1(CCSC1)C(=O)O CNP0601612.2 [0,0,0,1,0,0|2,0,0]=3 434 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,0,0,0,0,1|1,0,1]=3 435 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,0,0,0,0,1|0,0,1]=2 436 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,0,0,0,0,1|2,0,1]=4 437 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,0,0,0,0,1|1,0,0]=2 438 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,0,0,0,0,1|1,0,0]=2 439 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,0,0,0,0,1|1,0,0]=2 440 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,0,0,0,0,1|2,0,1]=4 441 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,0,0,0,0,1|2,0,0]=3 442 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [0,0,0,0,0,1|3,0,0]=4 443 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,0,0,0,0,1|2,0,0]=3 444 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,0,0,0,0,1|2,0,0]=3 445 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [2,0,0,0,0,0|0,0,2]=4 446 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.1 CCC=C(C)C=O CNP0245615.0 [2,0,0,0,0,0|0,0,2]=4 448 B6R0.1 CCCC(=NO)C CNP0211014.0 [2,0,0,0,0,0|1,0,1]=4 449 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 450 B6R0.1 CCCC(C)C#N CNP0583202.0 [2,0,0,0,0,0|1,0,1]=4 451 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|0,0,0]=2 452 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,1]=4 453 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [2,0,0,0,0,0|0,0,1]=3 454 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [2,0,0,0,0,0|2,0,0]=4 455 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,1]=4 456 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [2,0,0,0,0,0|0,0,1]=3 457 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [2,0,0,0,0,0|2,0,0]=4 458 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [2,0,0,0,0,0|2,0,0]=4 459 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|1,0,1]=4 460 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,2]=4 461 B6R0.4 C=CCCC(C)O CNP0519217.0 [2,0,0,0,0,0|0,0,2]=4 462 B6R0.4 CC(C)CCCO CNP0344466.0 [2,0,0,0,0,0|1,0,1]=4 463 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 464 B6R0.4 CC=CCC(C)O CNP0217280.0 [2,0,0,0,0,0|0,0,2]=4 465 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,2]=4 466 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 467 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|1,0,1]=4 468 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 469 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 470 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,0]=2 471 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|0,0,1]=3 472 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,0]=2 473 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,0]=2 474 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,0]=2 475 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,1]=4 476 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,1]=4 477 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,1]=4 478 B6R0.4 CCCSC(C)C CNP0228244.0 [2,0,0,0,0,0|1,0,1]=4 479 B6R0.4 CCCSC(C)S CNP0609747.0 [2,0,0,0,0,0|1,1,0]=4 480 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,0]=3 481 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|1,0,1]=4 482 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 483 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 484 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|1,0,0]=3 485 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|1,0,1]=4 486 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,0]=3 487 B6R0.4 CNCCC(C)C CNP0254439.0 [2,0,0,0,0,0|1,0,1]=4 488 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|1,0,1]=4 489 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,1]=4 490 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 491 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,0]=3 492 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [2,0,0,0,0,0|1,0,0]=3 493 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 494 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 495 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,0]=3 496 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,0]=3 497 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 498 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|1,0,1]=4 499 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|1,0,0]=3 500 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|2,0,0]=4 501 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|2,0,0]=4 502 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|2,0,0]=4 503 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|0,0,2]=4 504 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,1]=4 505 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 506 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,2]=4 507 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,1]=3 508 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 509 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 510 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,0]=2 511 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,1]=4 512 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,1]=4 513 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,1]=3 514 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,1]=4 515 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,2]=4 516 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|2,0,0]=4 517 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|2,0,0]=4 518 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|2,0,0]=4 519 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 520 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,0]=3 521 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,0]=3 522 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|2,0,0]=4 523 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,1]=4 524 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 525 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,1]=4 526 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,1]=4 527 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|1,0,0]=3 528 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,1]=4 529 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|1,0,0]=3 530 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,1]=4 531 B6R0.6 O=CCCCC=O CNP0204417.0 [2,0,0,0,0,0|1,0,1]=4 532 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,1]=4 533 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [2,0,0,0,0,0|2,0,0]=4 534 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [2,0,0,0,0,0|0,0,2]=4 535 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [2,0,0,0,0,0|0,0,2]=4 536 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|1,0,1]=4 537 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [2,0,0,0,0,0|2,0,0]=4 538 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [2,0,0,0,0,0|2,0,0]=4 539 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|1,0,0]=3 540 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [2,0,0,0,0,0|1,0,0]=3 541 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [2,0,0,0,0,0|1,0,0]=3 542 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [2,0,0,0,0,0|0,0,0]=2 543 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [2,0,0,0,0,0|0,0,2]=4 544 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [2,0,0,0,0,0|1,0,1]=4 545 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [2,0,0,0,0,0|1,0,0]=3 546 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [2,0,0,0,0,0|2,0,0]=4 547 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [2,0,0,0,0,0|1,0,0]=3 548 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|1,0,0]=3 549 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [2,0,0,0,0,0|1,0,0]=3 550 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [2,0,0,0,0,0|1,0,0]=3 551 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [2,0,0,0,0,0|0,0,0]=2 552 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [2,0,0,0,0,0|1,0,1]=4 553 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [2,0,0,0,0,0|1,0,0]=3 554 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [2,0,0,0,0,0|1,0,0]=3 555 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [2,0,0,0,0,0|1,0,0]=3 556 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [2,0,0,0,0,0|1,0,0]=3 557 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [2,0,0,0,0,0|2,0,0]=4 558 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [2,0,0,0,0,0|2,0,0]=4 559 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [2,0,0,0,0,0|1,0,1]=4 560 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [2,0,0,0,0,0|1,0,0]=3 561 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [2,0,0,0,0,0|1,0,0]=3 562 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [2,0,0,0,0,0|1,0,0]=3 563 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [2,0,0,0,0,0|1,0,0]=3 564 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [2,0,0,0,0,0|2,0,0]=4 565 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [2,0,0,0,0,0|2,0,0]=4 566 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [2,0,0,0,0,0|2,0,0]=4 567 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [2,0,0,0,0,0|2,0,0]=4 568 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [2,0,0,0,0,0|2,0,0]=4 569 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [2,0,0,0,0,0|2,0,0]=4 570 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [2,0,0,0,0,0|2,0,0]=4 571 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [2,0,0,0,0,0|2,0,0]=4 572 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [2,0,0,0,0,0|2,0,0]=4 573 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [2,0,0,0,0,0|2,0,0]=4 574 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [2,0,0,0,0,0|2,0,0]=4 575 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [2,0,0,0,0,0|2,0,0]=4 576 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [2,0,0,0,0,0|2,0,0]=4 577 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [2,0,0,0,0,0|2,0,0]=4 578 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [2,0,0,0,0,0|2,0,0]=4 579 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [2,0,0,0,0,0|2,0,0]=4 580 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [2,0,0,0,0,0|2,0,0]=4 581 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [2,0,0,0,0,0|2,0,0]=4 582 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [2,0,0,0,0,0|1,0,1]=4 583 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,1,0,0,0,0|2,0,0]=4 584 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|1,0,1]=4 585 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [1,1,0,0,0,0|2,0,0]=4 586 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [1,1,0,0,0,0|1,0,1]=4 587 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [1,1,0,0,0,0|1,0,1]=4 588 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [1,1,0,0,0,0|1,0,1]=4 589 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [1,1,0,0,0,0|1,0,1]=4 590 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,1,0,0,0,0|2,0,0]=4 591 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,1,0,0,0,0|2,0,0]=4 592 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|0,0,1]=3 593 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [1,1,0,0,0,0|1,0,1]=4 594 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|1,0,1]=4 595 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,1,0,0,0,0|1,0,1]=4 596 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,1,0,0,0,0|2,0,0]=4 597 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,1,0,0,0,0|1,0,1]=4 598 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,1,0,0,0,0|1,0,1]=4 599 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [1,1,0,0,0,0|1,0,0]=3 600 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [1,1,0,0,0,0|1,0,1]=4 601 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [1,1,0,0,0,0|1,0,1]=4 602 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [1,1,0,0,0,0|1,0,1]=4 603 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,1,0,0,0,0|1,0,1]=4 604 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,1,0,0,0,0|1,0,1]=4 605 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|0,0,1]=3 606 B8R0.11 CCC(CO)CCNC CNP0141963.0 [1,1,0,0,0,0|1,0,1]=4 607 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|0,0,2]=4 608 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|0,0,1]=3 609 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [1,1,0,0,0,0|1,0,1]=4 610 B8R0.11 CCCCC(CC)CS CNP0002408.0 [1,1,0,0,0,0|0,1,1]=4 611 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,1,0,0,0,0|2,0,0]=4 612 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|0,0,0]=2 613 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [1,1,0,0,0,0|0,0,1]=3 614 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|0,0,0]=2 615 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [1,1,0,0,0,0|0,0,1]=3 616 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [1,1,0,0,0,0|0,0,1]=3 617 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [1,1,0,0,0,0|1,0,1]=4 618 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [1,1,0,0,0,0|1,0,1]=4 619 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [1,1,0,0,0,0|0,0,0]=2 620 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [1,1,0,0,0,0|0,0,2]=4 621 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [1,1,0,0,0,0|0,0,2]=4 622 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|2,0,0]=4 623 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|0,0,2]=4 624 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|1,0,1]=4 625 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|0,0,1]=3 626 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,0]=3 627 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,1,0,0,0,0|1,0,1]=4 628 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|0,0,0]=2 629 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|0,0,0]=2 630 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|2,0,0]=4 631 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|0,0,0]=2 632 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,1]=4 633 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [1,1,0,0,0,0|2,0,0]=4 634 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,1,0,0,0,0|1,0,0]=3 635 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,1,0,0,0,0|1,0,0]=3 636 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,1,0,0,0,0|1,0,1]=4 637 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,1,0,0,0,0|2,0,0]=4 638 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|1,0,1]=4 639 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,1,0,0,0,0|0,0,1]=3 640 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|1,0,1]=4 641 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,1,0,0,0,0|1,0,1]=4 642 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,1,0,0,0,0|0,0,1]=3 643 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|1,0,1]=4 644 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|0,0,1]=3 645 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|2,0,0]=4 646 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|1,0,0]=3 647 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|1,0,0]=3 648 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,1,0,0,0,0|1,0,0]=3 649 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,1,0,0,0,0|1,0,0]=3 650 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|0,0,0]=2 651 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|1,0,1]=4 652 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|1,0,1]=4 653 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,1,0,0,0,0|1,0,0]=3 654 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,1,0,0,0,0|1,0,1]=4 655 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|1,0,0]=3 656 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,1,0,0,0,0|0,0,0]=2 657 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|1,0,1]=4 658 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|1,0,0]=3 659 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,1,0,0,0,0|2,0,0]=4 660 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,1,0,0,0,0|2,0,0]=4 661 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,1,0,0,0,0|0,0,0]=2 662 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,1,0,0,0,0|2,0,0]=4 663 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,1,0,0,0,0|0,0,0]=2 664 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,1,0,0,0,0|0,0,1]=3 665 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,1,0,0,0,0|1,0,1]=4 666 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|2,0,0]=4 667 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,1,0,0,0,0|1,0,1]=4 668 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [1,1,0,0,0,0|0,0,1]=3 669 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|1,0,0]=3 670 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [1,1,0,0,0,0|1,0,1]=4 671 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,1,0,0,0,0|2,0,0]=4 672 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,1,0,0,0,0|2,0,0]=4 673 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,1,0,0,0,0|2,0,0]=4 674 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [1,1,0,0,0,0|0,0,2]=4 675 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [1,1,0,0,0,0|1,0,0]=3 676 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|0,0,0]=2 677 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [1,1,0,0,0,0|0,1,0]=3 678 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,1,0,0,0,0|1,0,1]=4 679 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [1,1,0,0,0,0|0,0,2]=4 680 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [1,1,0,0,0,0|1,0,0]=3 681 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|0,0,0]=2 682 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [1,1,0,0,0,0|1,0,1]=4 683 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [1,1,0,0,0,0|1,0,1]=4 684 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [1,1,0,0,0,0|1,0,1]=4 685 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [1,1,0,0,0,0|0,0,1]=3 686 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [1,1,0,0,0,0|1,0,1]=4 687 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [1,1,0,0,0,0|1,0,0]=3 688 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [1,1,0,0,0,0|1,0,0]=3 689 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [1,1,0,0,0,0|1,0,1]=4 690 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [1,1,0,0,0,0|1,0,0]=3 691 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [1,1,0,0,0,0|1,0,0]=3 692 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [1,1,0,0,0,0|1,0,0]=3 693 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [1,1,0,0,0,0|1,0,0]=3 694 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [1,1,0,0,0,0|0,0,0]=2 695 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [1,1,0,0,0,0|0,0,0]=2 696 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [1,1,0,0,0,0|1,0,1]=4 697 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [1,1,0,0,0,0|1,0,0]=3 698 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [1,1,0,0,0,0|1,0,0]=3 699 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [1,1,0,0,0,0|1,0,0]=3 700 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [1,1,0,0,0,0|1,0,0]=3 701 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [1,1,0,0,0,0|0,0,0]=2 702 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [1,1,0,0,0,0|0,0,0]=2 703 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [1,1,0,0,0,0|1,0,0]=3 704 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [1,1,0,0,0,0|2,0,0]=4 705 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [1,1,0,0,0,0|2,0,0]=4 706 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [1,1,0,0,0,0|2,0,0]=4 707 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [1,1,0,0,0,0|2,0,0]=4 708 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [1,1,0,0,0,0|2,0,0]=4 709 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [1,1,0,0,0,0|2,0,0]=4 710 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [1,1,0,0,0,0|2,0,0]=4 711 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [1,1,0,0,0,0|2,0,0]=4 712 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [1,1,0,0,0,0|2,0,0]=4 713 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [1,1,0,0,0,0|2,0,0]=4 714 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [1,1,0,0,0,0|2,0,0]=4 715 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [1,1,0,0,0,0|2,0,0]=4 716 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [1,1,0,0,0,0|2,0,0]=4 717 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [1,1,0,0,0,0|2,0,0]=4 718 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [1,1,0,0,0,0|2,0,0]=4 719 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [1,1,0,0,0,0|2,0,0]=4 720 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [1,1,0,0,0,0|0,0,2]=4 721 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [1,1,0,0,0,0|0,0,0]=2 722 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [1,1,0,0,0,0|0,0,0]=2 723 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [1,1,0,0,0,0|0,0,0]=2 724 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [1,1,0,0,0,0|1,0,0]=3 725 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [1,1,0,0,0,0|1,0,0]=3 726 B8R0.12 CNCC(C)(C)C(=O)C CNP0433251.0 [1,1,0,0,0,0|2,0,0]=4 727 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [1,1,0,0,0,0|1,0,0]=3 728 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [1,1,0,0,0,0|1,0,0]=3 729 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [1,1,0,0,0,0|2,0,0]=4 730 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [1,1,0,0,0,0|0,0,2]=4 731 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [1,1,0,0,0,0|0,0,2]=4 732 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,1,0,0,0,0|0,0,0]=2 733 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [1,1,0,0,0,0|1,0,0]=3 734 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [1,1,0,0,0,0|0,0,2]=4 735 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [1,1,0,0,0,0|2,0,0]=4 736 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [1,1,0,0,0,0|1,0,1]=4 737 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [1,1,0,0,0,0|1,0,1]=4 738 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [1,1,0,0,0,0|1,0,1]=4 739 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [1,1,0,0,0,0|1,0,1]=4 740 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [1,1,0,0,0,0|1,0,1]=4 741 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [1,1,0,0,0,0|1,0,1]=4 742 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [1,1,0,0,0,0|2,0,0]=4 743 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [1,1,0,0,0,0|1,0,0]=3 744 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [1,1,0,0,0,0|1,0,0]=3 745 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [1,1,0,0,0,0|2,0,0]=4 746 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [1,1,0,0,0,0|1,0,0]=3 747 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [1,1,0,0,0,0|1,0,0]=3 748 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [1,1,0,0,0,0|1,0,1]=4 749 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [1,1,0,0,0,0|2,0,0]=4 750 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [1,1,0,0,0,0|1,0,1]=4 751 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [1,1,0,0,0,0|1,0,0]=3 752 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [1,1,0,0,0,0|1,0,0]=3 753 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [1,1,0,0,0,0|1,0,1]=4 754 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [1,1,0,0,0,0|1,0,0]=3 755 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [1,1,0,0,0,0|1,0,0]=3 756 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [1,1,0,0,0,0|1,0,0]=3 757 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [1,1,0,0,0,0|2,0,0]=4 758 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [1,1,0,0,0,0|2,0,0]=4 759 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [1,1,0,0,0,0|2,0,0]=4 760 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [1,1,0,0,0,0|2,0,0]=4 762 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [1,1,0,0,0,0|2,0,0]=4 763 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [1,1,0,0,0,0|2,0,0]=4 764 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [1,1,0,0,0,0|2,0,0]=4 765 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [1,1,0,0,0,0|2,0,0]=4 766 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,1|1,0,1]=4 767 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,0,0,0,1|0,0,0]=2 768 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,0,0,0,1|1,0,0]=3 769 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,0,0,0,1|1,0,0]=3 770 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,0,0,0,1|1,0,0]=3 771 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,0,0,0,1|1,0,0]=3 772 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,1,0,0,0,1|1,0,1]=4 773 B10R0.32 NCC[C@@H](O)[C@H](N)CC(=O)O CNP0140197.2 [0,1,0,0,0,1|2,0,0]=4 774 B10R0.32 NCC[C@H](O)[C@H](N)CC(=O)O CNP0140197.1 [0,1,0,0,0,1|2,0,0]=4 775 B10R0.44 NC[C@H](O)C[C@@H](N)CC(=O)O CNP0148368.1 [0,1,0,0,0,1|2,0,0]=4 776 B10R0.81 CCOCC(O)C(N)C(=O)O CNP0242428.0 [0,1,0,0,0,1|2,0,0]=4 777 B10R0.81 CCOC[C@@H](O)[C@@H](N)C(=O)O CNP0242428.1 [0,1,0,0,0,1|2,0,0]=4 778 B10R0.87 CC#CCC(CC(=O)O)OC CNP0344902.0 [0,1,0,0,0,1|0,0,2]=4 779 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O CNP0259340.1 [0,1,0,0,0,1|1,0,1]=4 780 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O CNP0259340.2 [0,1,0,0,0,1|1,0,1]=4 781 B10R0.96 C[S+](C)CC[C@H](O)CC(=O)O CNP0018375.1 [0,1,0,0,0,1|2,0,0]=4 782 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,2,0,0,0,0|1,0,1]=4 783 B10R0.13 CC(C)C[C@@H](N)[C@@H](O)C(=O)O CNP0167620.1 [0,2,0,0,0,0|1,0,0]=3 784 B10R0.13 CC(C)C[C@@H](N)[C@H](O)C(=O)O CNP0167620.2 [0,2,0,0,0,0|1,0,0]=3 785 B10R0.13 CC(C)C[C@H](N)[C@@H](O)C(=O)O CNP0167620.4 [0,2,0,0,0,0|1,0,0]=3 786 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O CNP0167620.3 [0,2,0,0,0,0|1,0,0]=3 787 B10R0.35 O=C(CO)[C@@H](O)[C@H](O)CCO CNP0215588.1 [0,2,0,0,0,0|2,0,0]=4 788 B10R0.36 CCCC(Cl)C(C)(Cl)[N+](=O)[O-] CNP0559912.0 [0,2,0,0,0,0|1,0,1]=4 789 B10R0.56 C[C@@H]([C@H](O)CO)[C@H](N)C(=O)O CNP0241945.2 [0,2,0,0,0,0|2,0,0]=4 790 B10R0.56 C[C@H]([C@H](N)C(=O)O)[C@@H](O)CO CNP0241945.1 [0,2,0,0,0,0|2,0,0]=4 791 B10R0.56 N[C@@H](C(=O)O)[C@@H](O)[C@H](O)CO CNP0245634.1 [0,2,0,0,0,0|2,0,0]=4 792 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO CNP0348844.3 [0,2,0,0,0,0|2,0,0]=4 793 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CO CNP0348844.4 [0,2,0,0,0,0|2,0,0]=4 794 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)CO CNP0348844.5 [0,2,0,0,0,0|2,0,0]=4 795 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO CNP0348844.1 [0,2,0,0,0,0|2,0,0]=4 796 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@@H](O)CO CNP0348844.7 [0,2,0,0,0,0|2,0,0]=4 797 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO CNP0348844.6 [0,2,0,0,0,0|2,0,0]=4 798 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO CNP0348844.2 [0,2,0,0,0,0|2,0,0]=4 799 B10R0.101 CCCC(O)C(CC)C(=O)O CNP0481331.0 [0,2,0,0,0,0|0,0,0]=2 800 B10R0.104 CCOC(C)(C)[C@H](N)C(=O)O CNP0107313.1 [0,2,0,0,0,0|2,0,0]=4 801 B10R0.43 CC(=O)CCC(N)(N)C(=O)O CNP0518279.0 [0,2,0,0,0,0|1,0,1]=4 802 B10R0.43 CC(C)(CCC(=O)O)C(=O)O CNP0440042.0 [0,2,0,0,0,0|1,0,1]=4 803 B10R0.43 CC(C)CC[C@@](C)(N)C(=O)O CNP0574923.1 [0,2,0,0,0,0|0,0,0]=2 804 B10R0.43 CC(C)CC[C@](C)(N)C(=O)O CNP0574923.2 [0,2,0,0,0,0|0,0,0]=2 805 B10R0.43 C[C@H](N)CC[C@@](N)(O)C(=O)O CNP0220767.1 [0,2,0,0,0,0|1,0,0]=3 806 B10R0.82 C/N=[N+](\[O-])/CC[C@H](N)C(=O)O CNP0541891.1 [0,2,0,0,0,0|2,0,0]=4 807 B10R0.82 CN=[N+]([O-])CC[C@H](N)C(=O)O CNP0541891.2 [0,2,0,0,0,0|2,0,0]=4 808 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O CNP0587641.1 [0,2,0,0,0,0|1,0,1]=4 809 B10R0.82 NC(CCP(=O)CO)C(=O)O CNP0023391.0 [0,2,0,0,0,0|2,0,0]=4 810 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O CNP0308911.1 [0,2,0,0,0,0|1,0,0]=3 811 B10R0.82 O=C(O)C(=O)CC[C@H](O)CO CNP0119428.1 [0,2,0,0,0,0|1,0,1]=4 812 B10R0.84 CC(=O)SC[C@@H](CS)C(=O)O CNP0123477.1 [0,2,0,0,0,0|1,0,1]=4 813 B10R0.84 CC(C)SN[C@@H](CS)C(=O)O CNP0500626.1 [0,2,0,0,0,0|2,0,0]=4 814 B10R0.84 CCC(CCC(=O)O)C(=O)O CNP0084072.0 [0,2,0,0,0,0|1,0,1]=4 815 B10R0.84 CNC(CCC(=O)C)C(=O)O CNP0217450.0 [0,2,0,0,0,0|0,0,1]=3 816 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O CNP0330606.1 [0,2,0,0,0,0|1,0,1]=4 817 B10R0.84 CN[C@@H](CC[S@@+](C)[O-])C(=O)O CNP0603443.1 [0,2,0,0,0,0|1,0,0]=3 818 B10R0.84 CN[C@@H](CC[S@@H+](C)[O-])C(=O)O CNP0533596.1 [0,2,0,0,0,0|1,0,0]=3 819 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O CNP0330606.2 [0,2,0,0,0,0|1,0,1]=4 820 B10R0.84 CO[C@@H](CC[S+](C)C)C(=O)O CNP0017604.1 [0,2,0,0,0,0|1,0,0]=3 821 B10R0.84 CO[C@@H](CC[S+](C)C)C(=O)[O-] CNP0030663.1 [0,2,0,0,0,0|1,0,1]=4 822 B10R0.92 CP(=O)(O)CC[C@@H](N)C(=O)O CNP0251316.1 [0,2,0,0,0,0|2,0,0]=4 823 B10R0.92 CP(=O)(O)CC[C@H](N)C(=O)O CNP0251316.3 [0,2,0,0,0,0|2,0,0]=4 824 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O CNP0129960.2 [0,2,0,0,0,0|2,0,0]=4 825 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O CNP0356137.2 [0,2,0,0,0,0|2,0,0]=4 826 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O CNP0356137.1 [0,2,0,0,0,0|2,0,0]=4 827 B10R0.92 C[As](=O)(O)CCC(N)C(=O)O CNP0531933.0 [0,2,0,0,0,0|2,0,0]=4 828 B10R0.92 C[P@@](=O)(O)CC[C@@H](N)C(=O)O CNP0251316.2 [0,2,0,0,0,0|2,0,0]=4 829 B10R0.92 C[P@@](=O)(O)CC[C@H](N)C(=O)O CNP0251316.5 [0,2,0,0,0,0|2,0,0]=4 830 B10R0.92 C[P@](=O)(O)CC[C@@H](N)C(=O)O CNP0251316.4 [0,2,0,0,0,0|2,0,0]=4 831 B10R0.92 C[S@@](=N)(=O)CC[C@H](N)C(=O)O CNP0129960.1 [0,2,0,0,0,0|2,0,0]=4 832 B10R0.92 C[S@](=N)(=O)CC[C@H](N)C(=O)O CNP0129960.3 [0,2,0,0,0,0|2,0,0]=4 833 B10R0.93 CC(CC(C)C(=O)O)C(=O)O CNP0258872.0 [0,2,0,0,0,0|1,0,1]=4 834 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O CNP0104947.4 [0,2,0,0,0,0|1,0,1]=4 835 B10R0.93 C[C@@H](C[C@@H](N)C(=O)O)C(=O)O CNP0104947.2 [0,2,0,0,0,0|1,0,1]=4 836 B10R0.93 C[C@@H](C[C@H](N)C(=O)O)C(=O)O CNP0104947.3 [0,2,0,0,0,0|1,0,1]=4 837 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O CNP0191496.1 [0,2,0,0,0,0|1,0,1]=4 838 B10R0.93 C[C@H](C[C@@H](N)C(=O)O)C(Cl)Cl CNP0429464.1 [0,2,0,0,0,0|2,0,0]=4 839 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O CNP0104947.1 [0,2,0,0,0,0|1,0,1]=4 840 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O CNP0191496.2 [0,2,0,0,0,0|1,0,1]=4 841 B10R0.93 C[C@H](O)[C@H](O)CC(=O)C(=O)O CNP0445081.1 [0,2,0,0,0,0|1,0,1]=4 842 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|1,0,0]=3 843 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|1,0,0]=3 844 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|2,0,0]=4 845 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|1,0,0]=3 846 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,2,0,0,0,0|1,0,0]=3 847 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,2,0,0,0,0|2,0,0]=4 848 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,2,0,0,0,0|1,0,0]=3 849 B10R0.85 C#CC(O)C(CC)CCCC CNP0600090.0 [0,2,0,0,0,0|1,0,1]=4 850 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|0,0,0]=2 851 B10R0.85 CCOC[C@@H](NC)C(=O)OC CNP0524975.1 [0,2,0,0,0,0|1,0,0]=3 852 B10R0.85 CCOC[C@H](NC)C(=O)OC CNP0524975.2 [0,2,0,0,0,0|1,0,0]=3 853 B10R0.85 CN[C@@H](CCSC)C(=O)OC CNP0087048.1 [0,2,0,0,0,0|1,0,0]=3 854 B10R0.124 CCCCC(Br)(Br)C(=O)CBr CNP0241772.0 [0,2,0,0,0,0|2,0,0]=4 855 B10R0.124 CCCCC(Br)(Br)C(=O)CI CNP0256582.0 [0,2,0,0,0,0|2,0,0]=4 856 B10R0.17 CCCCC(=C(Br)Br)C(=O)O CNP0221796.0 [0,2,0,0,0,0|0,0,2]=4 857 B10R0.17 CCCCC(C(=O)O)C(=O)O CNP0456271.0 [0,2,0,0,0,0|0,0,1]=3 858 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,2,0,0,0,0|0,0,0]=2 859 B10R0.86 CCCCCC(CO)C(=O)C CNP0002850.0 [0,2,0,0,0,0|1,0,0]=3 860 B10R0.86 CN[C@@H](CCCCN)C(=O)O CNP0039590.1 [0,2,0,0,0,0|0,0,0]=2 861 B10R0.86 NCCCC[C@H](NO)C(=O)O CNP0382420.1 [0,2,0,0,0,0|1,0,0]=3 862 B10R0.88 CSCC[C@@H](NC=O)C(=O)O CNP0415774.1 [0,2,0,0,0,0|1,0,1]=4 863 B10R0.88 CSCC[C@H](NC=O)C(=O)O CNP0415774.2 [0,2,0,0,0,0|1,0,1]=4 864 B10R0.26 C#CC[C@@H](O)C[C@H](N)C(=O)O CNP0170065.1 [0,2,0,0,0,0|1,0,1]=4 865 B10R0.26 C#CC[C@H](O)C[C@H](N)C(=O)O CNP0170065.2 [0,2,0,0,0,0|1,0,1]=4 866 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,2,0,0,0,0|1,0,1]=4 867 B10R0.26 CCC[S+]([O-])C[C@H](N)C(=O)O CNP0487043.1 [0,2,0,0,0,0|1,0,0]=3 868 B10R0.26 CCC[S@+]([O-])C[C@H](N)C(=O)O CNP0487043.2 [0,2,0,0,0,0|1,0,0]=3 869 B10R0.26 CCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0538911.1 [0,2,0,0,0,0|1,0,0]=3 870 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,2,0,0,0,0|0,0,1]=3 871 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,2,0,0,0,0|1,0,1]=4 872 B10R0.26 CCOC(C)OC(C)C(=O)O CNP0445078.0 [0,2,0,0,0,0|1,0,0]=3 873 B10R0.26 CSC[S@+]([O-])C[C@H](N)C(=O)O CNP0546443.1 [0,2,0,0,0,0|2,0,0]=4 874 B10R0.26 CSC[S@H+]([O-])C[C@H](N)C(=O)O CNP0547280.1 [0,2,0,0,0,0|2,0,0]=4 875 B10R0.26 C[C@@H](NC(=O)CCS)C(=O)O CNP0496642.1 [0,2,0,0,0,0|1,0,1]=4 876 B10R0.26 NCCC(=O)C[C@H](N)C(=O)O CNP0253438.1 [0,2,0,0,0,0|1,0,1]=4 877 B10R0.26 N[C@@H](C[S@+]([O-])CCO)C(=O)O CNP0513802.1 [0,2,0,0,0,0|2,0,0]=4 878 B10R0.26 N[C@@H](C[S@H+]([O-])CCO)C(=O)O CNP0527052.1 [0,2,0,0,0,0|2,0,0]=4 879 B10R0.47 COC(=O)CC(C)(O)C(=O)O CNP0132796.0 [0,2,0,0,0,0|1,0,1]=4 880 B10R0.47 COC(=O)C[C@@](C)(O)C(=O)O CNP0132796.1 [0,2,0,0,0,0|1,0,1]=4 881 B10R0.67 C[C@](O)(CO)C[C@H](N)C(=O)O CNP0316201.1 [0,2,0,0,0,0|2,0,0]=4 882 B10R0.72 C#C[C@@H](CO)C[C@H](N)C(=O)O CNP0396556.1 [0,2,0,0,0,0|2,0,0]=4 883 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,2,0,0,0,0|1,0,1]=4 884 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,2,0,0,0,0|0,0,0]=2 885 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,2,0,0,0,0|1,0,0]=3 886 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,2,0,0,0,0|1,0,0]=3 887 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,2,0,0,0,0|1,0,0]=3 888 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,2,0,0,0,0|1,0,0]=3 889 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,2,0,0,0,0|1,0,0]=3 890 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,2,0,0,0,0|1,0,0]=3 891 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,2,0,0,0,0|1,0,0]=3 892 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,2,0,0,0,0|1,0,1]=4 893 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,2,0,0,0,0|1,0,0]=3 894 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,2,0,0,0,0|1,0,0]=3 895 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,2,0,0,0,0|1,0,0]=3 896 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,2,0,0,0,0|1,0,0]=3 897 B10R0.75 N[C@@H](CSSCCO)C(=O)O CNP0533136.1 [0,2,0,0,0,0|2,0,0]=4 898 B10R0.98 CC(=CCCC(C)C(=O)O)C CNP0436414.0 [0,2,0,0,0,0|0,0,1]=3 899 B10R0.98 CC(=O)CSC[C@H](N)C(=O)O CNP0525755.1 [0,2,0,0,0,0|1,0,1]=4 900 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,2,0,0,0,0|1,0,1]=4 901 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,2,0,0,0,0|1,0,1]=4 902 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,2,0,0,0,0|1,0,1]=4 903 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,2,0,0,0,0|0,0,0]=2 904 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,2,0,0,0,0|1,0,0]=3 905 B10R0.98 C[C@@H](NCCC(=O)O)C(=O)O CNP0294276.2 [0,2,0,0,0,0|1,0,1]=4 906 B10R0.98 C[C@H](NCCC(=O)O)C(=O)O CNP0294276.1 [0,2,0,0,0,0|1,0,1]=4 907 B10R0.98 NC(=O)CCCC(N)C(=O)O CNP0609522.0 [0,2,0,0,0,0|1,0,1]=4 908 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CNP0180807.1 [0,2,0,0,0,0|1,0,1]=4 909 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CNP0180807.2 [0,2,0,0,0,0|1,0,1]=4 910 B10R0.98 O=C(O)CCC[C@@H](O)C(=O)O CNP0094826.1 [0,2,0,0,0,0|1,0,1]=4 911 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [1,0,0,1,0,0|1,0,1]=4 912 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [1,0,0,1,0,0|2,0,0]=4 913 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,1,0,0|1,0,1]=4 914 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,1,0,0|1,0,1]=4 915 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [1,0,0,1,0,0|2,0,0]=4 916 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [1,0,0,1,0,0|1,0,1]=4 917 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|1,0,1]=4 918 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,1,0,0|2,0,0]=4 919 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,1,0,0|1,0,1]=4 920 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|0,0,2]=4 921 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,0,0,1,0,0|0,0,2]=4 922 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|0,0,0]=2 923 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,0,0,1,0,0|1,0,0]=3 924 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [1,0,0,1,0,0|2,0,0]=4 925 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [1,0,0,1,0,0|2,0,0]=4 926 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,0,0,1,0,0|1,0,1]=4 927 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,1]=4 928 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,1,0,0|1,0,1]=4 929 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,1]=4 930 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,0,0,1,0,0|1,0,1]=4 931 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,0,0,1,0,0|2,0,0]=4 932 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [1,0,0,1,0,0|0,1,1]=4 933 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [1,0,0,1,0,0|1,0,1]=4 934 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [1,0,0,1,0,0|1,0,1]=4 935 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|1,0,0]=3 936 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|1,0,1]=4 937 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|0,0,0]=2 938 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,0,0,1,0,0|0,0,1]=3 939 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|1,0,0]=3 940 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|1,0,1]=4 941 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|1,0,1]=4 942 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,0,0,1,0,0|1,0,1]=4 943 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,0,0,1,0,0|1,0,1]=4 944 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|2,0,0]=4 945 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,0,0,1,0,0|1,0,1]=4 946 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,0,0,1,0,0|1,0,1]=4 947 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,1,0,0|1,0,1]=4 948 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|1,0,0]=3 949 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [1,0,0,1,0,0|1,0,1]=4 950 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [1,0,0,1,0,0|1,0,1]=4 951 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [1,0,0,1,0,0|1,0,1]=4 952 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [1,0,0,1,0,0|1,0,1]=4 953 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|1,0,1]=4 954 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,1]=4 955 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [1,0,0,1,0,0|0,0,0]=2 956 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|1,0,1]=4 957 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [1,0,0,1,0,0|0,0,2]=4 958 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [1,0,0,1,0,0|0,0,2]=4 959 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [1,0,0,1,0,0|0,0,0]=2 960 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [1,0,0,1,0,0|1,0,1]=4 961 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [1,0,0,1,0,0|2,0,0]=4 962 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [1,0,0,1,0,0|1,0,1]=4 963 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|1,0,1]=4 964 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [1,0,0,1,0,0|1,0,1]=4 965 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [1,0,0,1,0,0|1,0,1]=4 966 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [1,0,0,1,0,0|1,0,1]=4 967 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|1,0,1]=4 968 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|2,0,0]=4 969 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|1,0,1]=4 970 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|2,0,0]=4 971 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,2]=4 972 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 973 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,0]=2 974 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|1,0,1]=4 975 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|1,0,1]=4 976 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,2]=4 977 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 978 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,0]=2 979 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|1,0,1]=4 980 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|1,0,1]=4 981 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [1,0,0,1,0,0|1,1,0]=4 982 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|1,0,1]=4 983 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|2,0,0]=4 984 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,0,0,1,0,0|1,0,1]=4 985 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [1,0,0,1,0,0|2,0,0]=4 986 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [1,0,0,1,0,0|2,0,0]=4 987 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|1,0,1]=4 988 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|0,0,0]=2 989 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|1,0,0]=3 990 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,1,0,0|2,0,0]=4 991 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [1,0,0,1,0,0|2,0,0]=4 992 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|0,0,2]=4 993 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|1,0,1]=4 994 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|1,0,0]=3 995 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,1,0,0|1,0,0]=3 996 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [1,0,0,1,0,0|2,0,0]=4 997 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [1,0,0,1,0,0|2,0,0]=4 998 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|1,0,0]=3 999 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,0]=3 1000 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,1,0,0|1,0,0]=3 1001 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [1,0,0,1,0,0|2,0,0]=4 1002 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [1,0,0,1,0,0|2,0,0]=4 1003 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [1,0,0,1,0,0|1,0,1]=4 1004 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [1,0,0,1,0,0|0,0,2]=4 1005 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [1,0,0,1,0,0|2,0,0]=4 1006 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|2,0,0]=4 1007 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [1,0,0,1,0,0|1,0,1]=4 1008 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,0,0,1,0,0|0,0,2]=4 1009 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,0,0,1,0,0|0,0,2]=4 1010 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|1,0,1]=4 1011 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [1,0,0,1,0,0|1,0,0]=3 1012 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [1,0,0,1,0,0|2,0,0]=4 1013 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,0,0,1,0,0|0,0,0]=2 1014 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,0,0,1,0,0|1,0,0]=3 1015 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [1,0,0,1,0,0|1,0,1]=4 1016 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [1,0,0,1,0,0|1,0,0]=3 1017 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [1,0,0,1,0,0|1,0,0]=3 1018 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,0,1,0,1|0,0,0]=2 1019 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,0,1,0,1|1,0,0]=3 1020 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,0,1,0,1|1,0,0]=3 1021 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,0,0,1,0,1|2,0,0]=4 1022 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,1,0,1|2,0,0]=4 1023 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,1,0,1|2,0,0]=4 1024 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,1,0,1|1,0,0]=3 1025 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,0,0,1,0,1|2,0,0]=4 1026 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,0,0,1,0,1|2,0,0]=4 1027 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,1,0,1|0,0,0]=2 1028 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,1,0,1|1,0,0]=3 1029 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,0,1,0,1|1,0,0]=3 1030 B10R1.54 C=C(C)CC1CCC(C1)C CNP0211538.0 [0,0,0,1,0,1|2,0,0]=4 1031 B10R1.54 CC(=CC1CCC(C1)C)C CNP0182372.0 [0,0,0,1,0,1|2,0,0]=4 1032 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,0,0,1,0,1|0,0,0]=2 1033 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,0,0,1,0,1|2,0,0]=4 1034 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,0,0,1,0,1|1,0,0]=3 1035 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,0,0,1,0,1|2,0,0]=4 1036 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,0,0,1,0,1|2,0,0]=4 1037 B10R1.115 N[C@@H]1CC[C@@]1(O)CC(=O)O CNP0198184.1 [0,0,0,1,0,1|2,0,0]=4 1038 B10R1.115 N[C@H]1CC[C@]1(O)CC(=O)O CNP0198184.2 [0,0,0,1,0,1|2,0,0]=4 1039 B10R1.192 CN1CC[C@@H]([C@H]1C(=O)O)O CNP0111968.2 [0,0,0,1,0,1|2,0,0]=4 1040 B10R1.192 CN1CC[C@H]([C@H]1C(=O)O)O CNP0111968.1 [0,0,0,1,0,1|2,0,0]=4 1041 B10R1.28 O=P(O)(O)[C@@H]1CCCCN1 CNP0454666.1 [0,1,0,1,0,0|2,0,0]=4 1042 B10R1.28 O=P(O)(O)[C@H]1CCCCN1 CNP0454666.2 [0,1,0,1,0,0|2,0,0]=4 1043 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|2,0,0]=4 1044 B10R1.23 CC(=O)C(C)N1CCCC1 CNP0002599.0 [0,1,0,1,0,0|1,0,0]=3 1045 B10R1.23 C[C@@H](C(=O)O)C1=CCCC1 CNP0313438.1 [0,1,0,1,0,0|0,0,1]=3 1046 B10R1.23 NC(C(=O)O)C1CC=CC1 CNP0222178.0 [0,1,0,1,0,0|1,0,1]=4 1047 B10R1.23 N[C@@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.1 [0,1,0,1,0,0|1,0,1]=4 1048 B10R1.23 N[C@H](C(=O)O)C1CC=CC1 CNP0222178.1 [0,1,0,1,0,0|1,0,1]=4 1049 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CNP0276361.1 [0,1,0,1,0,0|1,0,0]=3 1050 B10R1.23 N[C@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.2 [0,1,0,1,0,0|1,0,1]=4 1051 B10R1.34 CCC1=C(C(=O)C(C1)C)O CNP0233549.0 [0,1,0,1,0,0|0,0,1]=3 1052 B10R1.34 CCC1=C(C(=O)[C@H](O1)C)O CNP0251940.1 [0,1,0,1,0,0|1,0,1]=4 1053 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,1,0,1,0,0|0,0,1]=3 1054 B10R1.34 CC[C@H]1OC(=C(C1=O)O)C CNP0248221.1 [0,1,0,1,0,0|1,0,1]=4 1055 B10R1.34 NC[C@@H]1OC(=O)[C@@H]([C@H]1N)N CNP0242874.1 [0,1,0,1,0,0|2,0,0]=4 1056 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO CNP0149601.4 [0,1,0,1,0,0|2,0,0]=4 1057 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO CNP0149601.5 [0,1,0,1,0,0|2,0,0]=4 1058 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO CNP0149601.1 [0,1,0,1,0,0|2,0,0]=4 1059 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO CNP0149601.3 [0,1,0,1,0,0|2,0,0]=4 1060 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO CNP0149601.2 [0,1,0,1,0,0|2,0,0]=4 1061 B10R1.59 CN1CC(C[C@@H]1C(=O)O)O CNP0410877.5 [0,1,0,1,0,0|2,0,0]=4 1062 B10R1.59 CN1CC(C[C@H]1C(=O)O)O CNP0410877.4 [0,1,0,1,0,0|2,0,0]=4 1063 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O CNP0410877.2 [0,1,0,1,0,0|2,0,0]=4 1064 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O CNP0410877.1 [0,1,0,1,0,0|2,0,0]=4 1065 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O CNP0410877.3 [0,1,0,1,0,0|2,0,0]=4 1066 B10R1.59 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N CNP0588316.1 [0,1,0,1,0,0|2,0,0]=4 1067 B10R1.59 C[C@@H]1C[C@@H]([C@@H](N1)C(=O)O)O CNP0392370.1 [0,1,0,1,0,0|1,0,0]=3 1068 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0153651.1 [0,1,0,1,0,0|1,0,0]=3 1069 B10R1.278 CC(C1CC1)[C@H](N)C(=O)O CNP0374571.2 [0,1,0,1,0,0|1,0,0]=3 1070 B10R1.278 C[C@@H](C1CC1)[C@H](N)C(=O)O CNP0374571.1 [0,1,0,1,0,0|1,0,0]=3 1071 B10R1.278 C[C@H](C1CC1)[C@H](N)C(=O)O CNP0374571.3 [0,1,0,1,0,0|1,0,0]=3 1072 B10R1.291 O=C(O)C1(COCC1O)O CNP0326065.0 [0,1,0,1,0,0|2,0,0]=4 1073 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,1,0,1,0,0|2,0,0]=4 1074 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,1,0,1,0,0|2,0,0]=4 1075 B10R1.13 C=C1CCC(CC1)C(=C)O CNP0196547.0 [0,1,0,1,0,0|1,0,1]=4 1076 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,1,0,1,0,0|1,0,1]=4 1077 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,1,0,1,0,0|1,0,1]=4 1078 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,1,0,1,0,0|1,0,1]=4 1079 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,1,0,1,0,0|1,0,1]=4 1080 B10R1.13 CN1CCN(CC1)C(=O)O CNP0510233.0 [0,1,0,1,0,0|2,0,0]=4 1081 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [0,1,0,1,0,0|1,0,1]=4 1082 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,1,0,1,0,0|0,0,0]=2 1083 B10R1.13 NC1CCN(CC1)C(=O)O CNP0024130.0 [0,1,0,1,0,0|1,0,0]=3 1084 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O CNP0286409.3 [0,1,0,1,0,0|1,0,0]=3 1085 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O CNP0286409.4 [0,1,0,1,0,0|1,0,0]=3 1086 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,1,0,1,0,0|0,0,0]=2 1087 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O CNP0286409.2 [0,1,0,1,0,0|1,0,0]=3 1088 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O CNP0286409.1 [0,1,0,1,0,0|1,0,0]=3 1089 B10R1.190 C=C1CC1C[C@H](N)C(=O)O CNP0301702.2 [0,1,0,1,0,0|1,0,1]=4 1090 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O CNP0301702.3 [0,1,0,1,0,0|1,0,1]=4 1091 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O CNP0301702.1 [0,1,0,1,0,0|1,0,1]=4 1092 B10R1.349 O=C(O)C1CC(C1)C(=O)O CNP0560899.0 [0,1,0,1,0,0|1,0,1]=4 1093 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C CNP0567767.1 [0,1,0,1,0,0|2,0,0]=4 1094 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C CNP0566661.2 [0,1,0,1,0,0|2,0,0]=4 1095 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C CNP0566661.1 [0,1,0,1,0,0|2,0,0]=4 1096 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O CNP0493545.2 [0,1,0,1,0,0|1,0,1]=4 1097 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O CNP0493545.1 [0,1,0,1,0,0|1,0,1]=4 1098 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,1,0,0|2,0,0]=4 1099 B10R1.15 CC(=NO)C1CCCCC1 CNP0071065.0 [0,1,0,1,0,0|1,0,0]=3 1100 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,1,0,1,0,0|2,0,0]=4 1101 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,1,0,1,0,0|1,0,0]=3 1102 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,1,0,1,0,0|0,0,2]=4 1103 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|0,0,0]=2 1104 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,1,0,0|1,0,0]=3 1105 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,1,0,0|0,0,2]=4 1106 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,0]=2 1107 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,1,0,0|1,0,0]=3 1108 B10R1.411 COC(=O)[C@@]1(CCSC1)N CNP0515749.2 [0,1,0,1,0,0|2,0,0]=4 1109 B10R1.411 COC(=O)[C@]1(CCSC1)N CNP0515749.1 [0,1,0,1,0,0|2,0,0]=4 1110 B10R1.31 O=C(O)[C@@H]1C[C@@H](CN1)CO CNP0249582.1 [0,1,0,1,0,0|1,0,0]=3 1111 B10R1.31 O=C(O)[C@@H]1C[C@H](CN1)CO CNP0249582.4 [0,1,0,1,0,0|1,0,0]=3 1112 B10R1.31 O=C(O)[C@H]1C[C@@H](CN1)CO CNP0249582.3 [0,1,0,1,0,0|1,0,0]=3 1113 B10R1.31 O=C(O)[C@H]1C[C@H](CN1)CO CNP0249582.2 [0,1,0,1,0,0|1,0,0]=3 1114 B10R1.194 CC1C(=O)CC[C@H]1C(=O)O CNP0156871.3 [0,1,0,1,0,0|1,0,1]=4 1115 B10R1.194 CN1C(=N)CC[C@H]1C(=O)O CNP0416305.1 [0,1,0,1,0,0|1,0,1]=4 1116 B10R1.194 C[C@@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.2 [0,1,0,1,0,0|1,0,1]=4 1117 B10R1.194 C[C@@H]1C(=O)CC[C@H]1C(=O)O CNP0156871.1 [0,1,0,1,0,0|1,0,1]=4 1118 B10R1.194 C[C@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.4 [0,1,0,1,0,0|1,0,1]=4 1119 B10R1.194 C[C@H]1CN[C@@H]([C@H]1O)C(=O)O CNP0315433.1 [0,1,0,1,0,0|1,0,0]=3 1120 B10R1.194 N=C1CC[C@H](N1C)C(=O)O CNP0416305.2 [0,1,0,1,0,0|1,0,1]=4 1121 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O CNP0331184.2 [0,1,0,1,0,0|2,0,0]=4 1122 B10R1.194 O=C(O)[C@H]1NC[C@@H]([C@H]1O)O CNP0331184.4 [0,1,0,1,0,0|2,0,0]=4 1123 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@@H]1O)O CNP0331184.1 [0,1,0,1,0,0|2,0,0]=4 1124 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@H]1O)O CNP0331184.3 [0,1,0,1,0,0|2,0,0]=4 1125 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,1,0,1,0,0|0,0,0]=2 1126 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,1,0,1,0,0|0,0,0]=2 1127 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,1,0,1,0,0|0,0,0]=2 1128 B10R1.63 CC1=CC(=O)C(CC1)(C)C CNP0610544.0 [0,1,0,1,0,0|1,0,1]=4 1129 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [0,1,0,1,0,0|2,0,0]=4 1130 B10R1.113 CC1=NCC[C@H](N1)C(=O)O CNP0261015.1 [0,1,0,1,0,0|1,0,1]=4 1131 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O CNP0499597.2 [0,1,0,1,0,0|1,0,1]=4 1132 B10R1.113 CC1=N[C@H](CCN1)C(=O)O CNP0499597.1 [0,1,0,1,0,0|1,0,1]=4 1133 B10R1.113 CC1=N[C@H](CC[N]1)C(=O)O CNP0547095.1 [0,1,0,1,0,0|1,0,1]=4 1134 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,1,0,1,0,0|1,0,0]=3 1135 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,1,0,1,0,0|1,0,0]=3 1136 B10R1.113 CN1CCC=C(C1)C(=O)O CNP0266221.0 [0,1,0,1,0,0|0,0,2]=4 1137 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,1,0,1,0,0|0,0,0]=2 1138 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,1,0,1,0,0|1,0,0]=3 1139 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,1,0,1,0,0|0,0,0]=2 1140 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,1,0,1,0,0|0,0,0]=2 1141 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,1,0,1,0,0|1,0,0]=3 1142 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,1,0,1,0,0|0,0,0]=2 1143 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,1,0,1,0,0|0,0,0]=2 1144 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [0,1,0,1,0,0|2,0,0]=4 1145 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,1,0,1,0,0|0,0,2]=4 1146 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,1,0,1,0,0|1,0,0]=3 1147 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [0,1,0,1,0,0|2,0,0]=4 1148 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,1,0,1,0,0|1,0,0]=3 1149 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [0,1,0,1,0,0|2,0,0]=4 1150 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,1,0,1,0,0|1,0,0]=3 1151 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [0,1,0,1,0,0|2,0,0]=4 1152 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,1,0,1,0,0|1,0,0]=3 1153 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [0,1,0,1,0,0|2,0,0]=4 1154 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [0,1,0,1,0,0|2,0,0]=4 1155 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,1,0,1,0,0|0,0,1]=3 1156 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,1,0,1,0,0|1,0,1]=4 1157 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,1,0,1,0,0|1,0,1]=4 1158 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,1,0,0|0,0,2]=4 1159 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|0,0,0]=2 1160 B10R1.331 C[C@H]1[C@H](CC1(N)C(=O)O)O CNP0484101.1 [0,1,0,1,0,0|1,0,0]=3 1161 B10R1.490 NC1(CC(C1)CO)C(=O)O CNP0182129.0 [0,1,0,1,0,0|1,0,0]=3 1162 B10R1.363 CC1(CCCCC1)C(=O)O CNP0464995.0 [0,1,0,1,0,0|0,0,0]=2 1163 B10R1.363 NC1(CCCCC1)C(=O)O CNP0298480.0 [0,1,0,1,0,0|0,0,0]=2 1164 B10R1.363 NC1(CCSCC1)C(=O)O CNP0563448.0 [0,1,0,1,0,0|1,0,0]=3 1165 B10R1.363 N[C@@]1(CCCSC1)C(=O)O CNP0604228.2 [0,1,0,1,0,0|1,0,0]=3 1166 B10R1.363 N[C@]1(CCCSC1)C(=O)O CNP0604228.1 [0,1,0,1,0,0|1,0,0]=3 1167 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|2,0,0]=4 1168 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|2,0,0]=4 1169 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [0,0,0,2,0,0|1,0,0]=3 1170 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [0,0,0,2,0,0|1,0,0]=3 1171 B10R2.28 CC1(CC2CCC1C2)O CNP0489995.0 [0,0,0,2,0,0|1,0,1]=4 1172 B10R2.348 O=C(O)[C@@]12C[C@@H](C1)CN2 CNP0372352.1 [0,0,0,2,0,0|1,0,0]=3 1173 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,2,0,0|2,0,0]=4 1174 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,0,0,0,0,2|1,0,1]=4 1175 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,0,0,0,0,2|0,0,0]=2