0 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,0,0,0,0,0|0,0,0]=0 19 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,0,0,0,0,0|1,0,0]=1 29 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] CNP0541821.0 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,0,0,0,0,0|3,0,0]=3 45 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,0,0,0,0,0|2,0,1]=3 47 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,0,0,0,0,0|3,0,0]=3 52 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,0,0,0,0,0|3,0,0]=3 53 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,0,0,0,0,0|3,0,0]=3 58 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,0,0,0,0,0|0,0,0]=1 67 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,0,0,0,0,0|0,0,0]=1 68 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,0,0,0,0,0|0,0,0]=1 69 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,0,0,0,0,0|0,0,0]=1 70 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,0,0,0,0,0|0,0,0]=1 71 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,0,0,0,0,0|0,0,0]=1 72 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,0,0,0,0,0|0,0,1]=2 73 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,0,0,0,0,0|0,0,1]=2 75 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,0,0,0,0,0|0,0,2]=3 80 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,0,0,0,0,0|0,0,2]=3 81 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,0,0,0,0,0|0,0,2]=3 86 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,0,0,0,0,0|0,0,2]=3 87 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,0,0,0,0|1,0,0]=2 96 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,0,0,0,0|0,0,0]=1 97 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,0,0,0,0|2,0,0]=3 99 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,0,0,0,0|1,0,0]=2 101 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,0,0,0,0|1,0,0]=2 102 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,0,0,0,0|0,0,0]=1 103 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,0,0,0,0|1,0,0]=2 104 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,0,0,0,0|3,0,0]=4 105 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,0,0,0,0,0|1,0,0]=2 106 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,0,0,0,0,0|1,0,0]=2 107 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,0,0,0,0,0|1,0,1]=3 113 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,0,0,0,0,0|1,0,1]=3 114 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,0,0,0,0,0|2,0,0]=3 118 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,0,0,0,0,0|1,0,0]=2 120 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,0,0,0,0,0|1,0,0]=2 122 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,0,0,0,0,0|2,0,0]=3 125 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,0,0,0,0,0|2,0,0]=3 126 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,0,0,0,0,0|1,0,1]=3 127 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,0,0,0,0,0|1,0,0]=2 128 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,0,0,0,0,0|1,0,0]=2 129 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,0,0,0,0,0|2,0,0]=3 130 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,0|0,0,2]=3 134 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,0,0,0,0,0|1,0,2]=4 135 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,0,0,0,0,0|1,0,1]=3 137 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,0,0,0,0,0|1,0,2]=4 138 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,0,0,0,0,0|1,0,2]=4 139 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,0|1,0,0]=2 140 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,0|2,0,0]=3 141 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,0|2,0,0]=3 143 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,0,0,0,0,0|1,0,2]=4 145 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,0,0,0,0|0,0,2]=3 146 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,0|1,0,0]=2 147 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,0|1,0,0]=2 148 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,0|0,0,0]=1 149 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.6 CC(O)COC(C)C CNP0503370.0 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,0|1,0,0]=2 152 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,0|1,0,0]=2 153 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,0,0,0,0,0|1,0,1]=3 154 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,0|1,0,0]=2 155 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,0|1,0,0]=2 156 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,0,0,0,0,0|1,0,1]=3 157 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,0,0,0,0,0|1,0,1]=3 158 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,0|1,0,0]=2 160 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [1,0,0,0,0,0|3,0,0]=4 163 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O CNP0326502.2 [0,1,0,0,0,0|1,0,0]=2 164 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O CNP0326502.1 [0,1,0,0,0,0|1,0,0]=2 165 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,1,0,0,0,0|0,0,0]=1 166 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.23 CC(=NO)C(=O)CC(C)C CNP0240772.0 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,1,0,0,0,0|0,0,0]=1 169 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,0,0|1,0,1]=3 171 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,0,0|1,0,0]=2 172 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [0,1,0,0,0,0|2,0,1]=4 173 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,0,0|0,0,0]=1 174 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [0,1,0,0,0,0|2,0,1]=4 176 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,0,0|0,0,0]=1 177 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [0,1,0,0,0,0|2,0,1]=4 178 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [0,1,0,0,0,0|2,0,1]=4 179 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.39 CC(=O)C(=NO)CC(C)C CNP0159889.0 [0,1,0,0,0,0|1,0,2]=4 181 B9R0.39 CC(C)CC(=NO)C(=O)O CNP0082072.0 [0,1,0,0,0,0|0,0,2]=3 182 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,1,0,0,0,0|1,0,0]=2 183 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,1,0,0,0,0|0,0,0]=1 184 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,1,0,0,0,0|2,0,0]=3 185 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,1,0,0,0,0|0,0,0]=1 187 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,1,0,0,0,0|0,0,0]=1 189 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)O CNP0328625.1 [0,1,0,0,0,0|2,0,0]=3 190 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)[O-] CNP0119924.1 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.39 O=C(O)C[C@H](NO)C(=O)O CNP0495196.1 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,1,0,0,0,0|1,0,1]=3 193 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,1,0,0,0,0|0,0,1]=2 194 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,1,0,0,0,0|0,0,1]=2 195 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,1,0,0,0,0|0,0,1]=2 196 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,1,0,0,0,0|0,0,2]=3 197 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,1,0,0,0,0|0,0,1]=2 198 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,1,0,0,0,0|0,0,1]=2 199 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,1,0,0,0,0|1,0,1]=3 202 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,0,0,0,0|0,0,0]=1 203 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,1,0,0,0,0|1,0,0]=2 204 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,0,0,0,0|0,0,0]=1 205 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,1,0,0,0,0|2,0,0]=3 206 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,1,0,0,0,0|2,0,0]=3 207 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,1,0,0,0,0|2,0,0]=3 208 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,1,0,0,0,0|1,0,1]=3 209 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,1,0,0,0,0|0,0,0]=1 211 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,1,0,0,0,0|1,0,0]=2 212 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,1,0,0,0,0|1,0,0]=2 214 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,1,0,0,0,0|1,0,1]=3 215 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CNP0289364.1 [0,1,0,0,0,0|2,0,1]=4 216 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O CNP0186686.1 [0,1,0,0,0,0|3,0,0]=4 217 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,1,0,0,0,0|1,0,1]=3 218 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,1,0,0,0,0|1,0,0]=2 219 B9R0.42 N[C@@H](C[N+](=NO)[O-])C(=O)O CNP0568394.1 [0,1,0,0,0,0|3,0,0]=4 220 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,1,0,0,0,0|0,0,0]=1 222 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O CNP0302280.1 [0,1,0,0,0,0|3,0,0]=4 224 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CNP0171540.1 [0,1,0,0,0,0|3,0,0]=4 225 B9R0.57 N[C@@H](C[Se](=O)(=O)O)C(=O)O CNP0178375.1 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O CNP0302280.2 [0,1,0,0,0,0|3,0,0]=4 227 B9R0.57 N[C@H](CS(=O)(=O)O)C(=O)O CNP0171540.2 [0,1,0,0,0,0|3,0,0]=4 228 B9R0.57 [2H]C([2H])([2H])C[C@H](N)C(=O)O CNP0243222.2 [0,1,0,0,0,0|2,0,0]=3 229 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,1,0,0,0,0|2,0,1]=4 230 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,1,0,0,0,0|1,0,1]=3 231 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,1,0,0,0,0|2,0,1]=4 232 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,0,0,0,0|1,0,0]=2 233 B9R0.79 CC(C)N(O)C(=O)C(=O)O CNP0493755.0 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,0,0,0,0|0,0,0]=1 235 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,0,0,0,0|0,0,0]=1 236 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,1,0,0,0,0|1,0,0]=2 237 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,1,0,0,0,0|2,0,0]=3 239 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,1,0,0,0,0|1,0,0]=2 240 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,1,0,0,0,0|1,0,0]=2 241 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,1,0,0,0,0|1,0,0]=2 242 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,1,0,0,0,0|1,0,0]=2 243 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,1,0,0,0,0|2,0,1]=4 245 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,1,0,0,0,0|1,0,0]=2 246 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,1,0,0,0,0|1,0,0]=2 247 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O CNP0276088.1 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.79 NC(=O)[C@H](O)[C@H](N)C(=O)O CNP0276088.2 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.3 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.4 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.2 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O CNP0266358.1 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.1 [0,1,0,0,0,0|2,0,1]=4 254 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,1,0,0|0,0,2]=3 255 B9R1.35 CN1C=N[C@@H](C1)C(=O)O CNP0561353.1 [0,0,0,1,0,0|1,0,2]=4 256 B9R1.35 CN1C=N[C@H](C1)C(=O)O CNP0561353.2 [0,0,0,1,0,0|1,0,2]=4 257 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,1,0,0|2,0,0]=3 258 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,0|1,0,0]=2 259 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,0|0,0,0]=1 260 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,0|0,0,0]=1 261 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,0|2,0,0]=3 262 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,0|0,0,0]=1 263 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,0|0,0,0]=1 264 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,0|2,0,0]=3 265 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,0,0,1,0,0|1,0,0]=2 266 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,0,0,1,0,0|1,0,2]=4 267 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,1,0,0|1,0,0]=2 268 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,1,0,0|1,0,0]=2 269 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,0,0,1,0,0|1,0,2]=4 270 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,1,0,0|1,0,0]=2 271 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,0,0,1,0,0|1,0,2]=4 272 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,1,0,0|1,0,0]=2 273 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,1,0,0|1,0,0]=2 274 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,0|1,0,1]=3 275 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,0,0,1,0,0|2,0,0]=3 276 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,0,0,1,0,0|0,0,2]=3 277 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,0,0,1,0,0|0,0,2]=3 278 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,0,0,1,0,0|0,0,2]=3 279 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,0,1,0,0|2,0,0]=3 280 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,0,1,0,0|0,0,0]=1 281 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,0,0,1,0,0|1,0,0]=2 282 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,0,0,1,0,0|2,0,0]=3 283 B9R1.161 C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-] CNP0427665.1 [0,0,0,1,0,0|2,0,1]=4 284 B9R1.161 O=C(O)[C@H]1N[C@@H]1C(=O)O CNP0156205.1 [0,0,0,1,0,0|2,0,1]=4 285 B9R1.161 O=C(O)[C@H]1N[C@H]1C(=O)O CNP0156205.2 [0,0,0,1,0,0|2,0,1]=4 286 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,0,0,0,1,0|2,0,1]=4 287 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,0,0,0,1,0|2,0,1]=4 288 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,0,0,1,0|1,0,2]=4 289 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,0,0,0,1,0|1,0,2]=4 290 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,0,0,1,0|2,0,1]=4 291 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,0,0,0,1,0|2,0,1]=4 292 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,0,0,0,1,0|2,0,0]=3 293 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,0,0,0,1,0|3,0,0]=4 294 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,0,0,0,1,0|2,0,0]=3 295 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,0,0,0,1,0|2,0,0]=3 296 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,0,0,0,1,0|1,0,1]=3 297 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,0,0,0,1,0|2,0,1]=4 298 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,0,0,0,1,0|1,0,1]=3 299 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,0,0,0,1,0|2,0,1]=4 300 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,0,0,0,1,0|0,0,0]=1 301 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,0,0,0,1,0|2,0,0]=3 302 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,0,0,0,1,0|1,0,0]=2 303 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,0,0,0,1,0|0,0,0]=1 304 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,0,0,0,1,0|1,0,0]=2 305 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,0,0,0,1,0|3,0,0]=4 306 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,0,0,0,1,0|2,0,1]=4 307 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,0,0,0,1,0|2,0,0]=3 308 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,0,0,0,1,0|2,0,0]=3 309 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,0,0,0,1,0|2,0,0]=3 310 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,0,0,0,1,0|1,0,0]=2 311 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,0,0,0,1,0|1,0,0]=2 312 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,0,0,0,1,0|2,0,1]=4 313 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,0,0,0,1,0|1,0,0]=2 314 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,0,0,0,1,0|2,0,0]=3 315 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,0,0,0,1,0|1,0,0]=2 316 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,0,0,0,1,0|2,0,0]=3 317 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,0,0,0,1,0|1,0,0]=2 318 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,0,0,0,1,0|2,0,0]=3 319 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,0,0,0,1,0|1,0,0]=2 320 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,0,0,0,1,0|1,0,0]=2 321 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,0,0,0,1,0|2,0,0]=3 322 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,0,0,0,1,0|2,0,0]=3 323 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,0,0,0,1,0|2,0,0]=3 324 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,0,0,0,1,0|1,0,0]=2 325 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,0,0,0,1,0|1,0,0]=2 326 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,0,0,0,1,0|2,0,0]=3 327 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,0,0,0,1,0|1,0,0]=2 328 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,0,0,0,1,0|2,0,0]=3 329 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,0,0,0,1,0|2,0,0]=3 330 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,0,0,0,1,0|1,0,0]=2 331 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,0,0,0,1,0|1,0,0]=2 332 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,0,0,0,1,0|1,0,0]=2 333 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,0,0,0,1,0|2,0,1]=4 334 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,0,0,0,1,0|0,0,0]=1 335 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,0,0,0,0,1|1,0,1]=3 336 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,0,0,0,0,1|0,0,2]=3 337 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [0,0,0,0,0,1|1,0,2]=4 338 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [0,0,0,0,0,1|1,0,2]=4 339 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,0,0,0,0,1|0,0,1]=2 340 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,0,0,0,0,1|2,0,1]=4 341 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,0,0,0,0,1|1,0,1]=3 342 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,0,0,0,0,1|1,0,1]=3 343 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,0,0,0,0,1|2,0,1]=4 344 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,0,0,0,0,1|1,0,1]=3 345 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,0,0,0,0,1|1,0,1]=3 346 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,0,0,0,0,1|0,0,0]=1 347 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,0,0,0,0,1|0,0,0]=1 348 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,0,0,0,0,1|1,0,0]=2 349 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,0,0,0,0,1|1,0,0]=2 350 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,0,0,0,0,1|1,0,0]=2 351 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,0,0,0,0,1|1,0,0]=2 352 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,0,0,0,0,1|1,0,0]=2 353 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,0,0,0,0,1|1,0,1]=3 354 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,0,0,0,0,1|1,0,0]=2 355 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,0,0,0,0,1|1,0,0]=2 356 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,0,0,0,0,1|1,0,1]=3 357 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,0,0,0,0,1|1,0,1]=3 358 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,0,0,0,0,1|2,0,0]=3 359 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,0,0,0,0,1|2,0,0]=3 360 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,0,0,0,0,1|2,0,0]=3 361 B9R0.7 C[S@@+]([O-])/C=C/[C@H](N)C(=O)O CNP0576276.1 [0,0,0,0,0,1|2,0,1]=4 362 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,0,0,0,0,1|2,0,0]=3 363 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,0,0,0,0,1|2,0,0]=3 364 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,0,0,0,0,1|2,0,0]=3 365 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,0,0,0,0,1|2,0,0]=3 366 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,0,0,0,0,1|1,0,0]=2 367 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,0,0,0,0,1|1,0,0]=2 368 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,0,0,0,0,1|1,0,0]=2 369 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,0,0,0,0,1|1,0,0]=2 370 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,0,0,0,0,1|2,0,0]=3 371 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [0,0,0,0,0,1|2,0,1]=4 372 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [0,0,0,0,0,1|2,0,1]=4 373 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O CNP0532146.2 [0,0,0,0,0,1|2,0,1]=4 374 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CNP0532146.1 [0,0,0,0,0,1|2,0,1]=4 375 B9R0.7 NC(=O)OC[C@@H](N)C(=O)O CNP0393327.1 [0,0,0,0,0,1|2,0,1]=4 376 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,0,0,0,0,1|3,0,0]=4 377 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,0,0,0,0,1|3,0,0]=4 378 B9R0.7 NC(CNC(=O)O)C(=O)O CNP0158277.0 [0,0,0,0,0,1|2,0,1]=4 379 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,0,0,0,0,1|2,0,1]=4 380 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,0,0,0,0,1|3,0,0]=4 381 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,0,0,0,0,1|3,0,0]=4 382 B9R0.7 N[C@@H](CN[N+](=O)[O-])C(=O)O CNP0526957.1 [0,0,0,0,0,1|3,0,0]=4 383 B9R0.7 N[C@@H](CS[As](O)O)C(=O)O CNP0546239.1 [0,0,0,0,0,1|3,0,0]=4 384 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,0,0,0,0,1|2,0,1]=4 385 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,0,0,0,0,1|2,0,0]=3 386 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,0,0,0,0,1|2,0,0]=3 387 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,0,0,0,0,1|0,0,0]=1 388 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,0,0,0,0,1|1,0,0]=2 389 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,0,0,0,0,1|2,0,1]=4 390 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,0,0,0,0,1|1,0,0]=2 391 B9R0.53 NC(CC(=O)O)CC(=O)O CNP0324847.0 [0,0,0,0,0,1|2,0,1]=4 392 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [2,0,0,0,0,0|2,0,0]=4 393 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 394 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|1,0,0]=3 395 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [2,0,0,0,0,0|1,0,1]=4 396 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [2,0,0,0,0,0|1,0,1]=4 397 B6R0.1 NC(C=O)CC=O CNP0515395.0 [2,0,0,0,0,0|1,0,1]=4 398 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|1,0,1]=4 399 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [2,0,0,0,0,0|0,0,1]=3 400 B6R0.2 CC(C)CC(C)C CNP0241759.0 [2,0,0,0,0,0|1,0,1]=4 401 B6R0.2 CC(C)CC(C)O CNP0493734.0 [2,0,0,0,0,0|1,0,0]=3 402 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [2,0,0,0,0,0|0,0,1]=3 403 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [2,0,0,0,0,0|1,0,1]=4 404 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [2,0,0,0,0,0|1,0,1]=4 405 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [2,0,0,0,0,0|1,0,1]=4 406 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [2,0,0,0,0,0|2,0,0]=4 407 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|1,0,1]=4 408 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,2]=4 409 B6R0.4 C=CCCC(C)O CNP0519217.0 [2,0,0,0,0,0|2,0,0]=4 410 B6R0.4 C=CCSC(C)C CNP0309084.0 [2,0,0,0,0,0|2,0,0]=4 411 B6R0.4 CC(=CCC=O)C CNP0094675.0 [2,0,0,0,0,0|0,0,2]=4 412 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,1]=4 413 B6R0.4 CC(C)C=CC=O CNP0003528.0 [2,0,0,0,0,0|0,0,2]=4 414 B6R0.4 CC(C)CC#CO CNP0482838.0 [2,0,0,0,0,0|0,0,2]=4 415 B6R0.4 CC(C)CC=NO CNP0235743.0 [2,0,0,0,0,0|1,0,1]=4 416 B6R0.4 CC(C)CCC#N CNP0386277.0 [2,0,0,0,0,0|1,0,1]=4 417 B6R0.4 CC(C)CCC=O CNP0198082.0 [2,0,0,0,0,0|0,0,0]=2 418 B6R0.4 CC(C)CCCO CNP0344466.0 [2,0,0,0,0,0|0,0,1]=3 419 B6R0.4 CC(C)CNC=O CNP0473867.0 [2,0,0,0,0,0|1,0,0]=3 420 B6R0.4 CC(C)COC=O CNP0232692.0 [2,0,0,0,0,0|1,0,0]=3 421 B6R0.4 CC(C)CON=O CNP0224607.0 [2,0,0,0,0,0|2,0,0]=4 422 B6R0.4 CC(C)NCCO CNP0141461.0 [2,0,0,0,0,0|1,0,1]=4 423 B6R0.4 CC(C)OCCO CNP0079907.0 [2,0,0,0,0,0|1,0,1]=4 424 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 425 B6R0.4 CC=CCC(C)C CNP0081831.0 [2,0,0,0,0,0|1,0,1]=4 426 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,2]=4 427 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 428 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|1,0,1]=4 429 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|1,0,0]=3 430 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 431 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,0]=2 432 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 433 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,0]=2 434 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|1,0,1]=4 435 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|1,0,1]=4 436 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|2,0,0]=4 437 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|2,0,0]=4 438 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|2,0,0]=4 439 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,0]=3 440 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 441 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 442 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,0]=3 443 B6R0.4 CNCCC(C)C CNP0254439.0 [2,0,0,0,0,0|2,0,0]=4 444 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|2,0,0]=4 445 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|2,0,0]=4 446 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,0]=3 448 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 449 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [2,0,0,0,0,0|1,0,0]=3 450 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 451 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,0]=3 452 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,0]=3 453 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 454 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|1,0,1]=4 455 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [2,0,0,0,0,0|0,0,2]=4 456 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [2,0,0,0,0,0|1,0,1]=4 457 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [2,0,0,0,0,0|0,0,2]=4 458 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [2,0,0,0,0,0|0,0,2]=4 459 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [2,0,0,0,0,0|0,0,2]=4 460 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|1,0,1]=4 461 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [2,0,0,0,0,0|2,0,0]=4 462 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [2,0,0,0,0,0|2,0,0]=4 463 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|2,0,0]=4 464 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [2,0,0,0,0,0|2,0,0]=4 465 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [2,0,0,0,0,0|2,0,0]=4 466 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [2,0,0,0,0,0|1,0,0]=3 467 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [2,0,0,0,0,0|0,0,0]=2 468 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [2,0,0,0,0,0|2,0,0]=4 469 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [2,0,0,0,0,0|1,0,0]=3 470 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|2,0,0]=4 471 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [2,0,0,0,0,0|2,0,0]=4 472 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [2,0,0,0,0,0|2,0,0]=4 473 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [2,0,0,0,0,0|1,0,0]=3 474 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [2,0,0,0,0,0|0,0,0]=2 475 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [2,0,0,0,0,0|1,0,0]=3 476 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [2,0,0,0,0,0|2,0,0]=4 477 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [2,0,0,0,0,0|2,0,0]=4 478 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [2,0,0,0,0,0|2,0,0]=4 479 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [2,0,0,0,0,0|2,0,0]=4 480 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [2,0,0,0,0,0|2,0,0]=4 481 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [2,0,0,0,0,0|2,0,0]=4 482 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [2,0,0,0,0,0|2,0,0]=4 483 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [2,0,0,0,0,0|1,0,0]=3 484 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [2,0,0,0,0,0|2,0,0]=4 485 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [2,0,0,0,0,0|1,0,0]=3 486 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [2,0,0,0,0,0|1,0,1]=4 487 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [2,0,0,0,0,0|1,0,0]=3 488 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [2,0,0,0,0,0|1,0,0]=3 489 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [2,0,0,0,0,0|1,0,0]=3 490 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [2,0,0,0,0,0|1,0,0]=3 491 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [2,0,0,0,0,0|1,0,0]=3 492 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [2,0,0,0,0,0|1,0,0]=3 493 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [2,0,0,0,0,0|1,0,0]=3 494 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [2,0,0,0,0,0|1,0,0]=3 495 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [2,0,0,0,0,0|1,0,0]=3 496 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [2,0,0,0,0,0|2,0,0]=4 497 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [2,0,0,0,0,0|2,0,0]=4 498 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [2,0,0,0,0,0|2,0,0]=4 499 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [2,0,0,0,0,0|2,0,0]=4 500 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [2,0,0,0,0,0|2,0,0]=4 501 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [1,1,0,0,0,0|2,0,0]=4 502 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [1,1,0,0,0,0|2,0,0]=4 503 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [1,1,0,0,0,0|1,0,1]=4 504 B8R0.5 CC(C)C[C@@H](O)/C=N\O CNP0215536.1 [1,1,0,0,0,0|1,0,0]=3 505 B8R0.16 CCC(CO)CC(C)C CNP0084487.0 [1,1,0,0,0,0|1,0,1]=4 506 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [1,1,0,0,0,0|1,0,1]=4 507 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|2,0,0]=4 508 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|2,0,0]=4 509 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,0]=3 510 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|2,0,0]=4 511 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,0]=3 512 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,0]=3 513 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [1,1,0,0,0,0|0,0,1]=3 514 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [1,1,0,0,0,0|0,0,1]=3 515 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [1,1,0,0,0,0|0,0,1]=3 516 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [1,1,0,0,0,0|0,0,1]=3 517 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [1,1,0,0,0,0|0,0,2]=4 518 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [1,1,0,0,0,0|0,0,2]=4 519 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [1,1,0,0,0,0|0,0,1]=3 520 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,1,0,0,0,0|1,0,1]=4 521 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|1,0,1]=4 522 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,1,0,0,0,0|1,0,0]=3 523 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,1,0,0,0,0|0,0,0]=2 524 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [1,1,0,0,0,0|2,0,0]=4 525 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,1,0,0,0,0|1,0,0]=3 526 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,1,0,0,0,0|0,0,0]=2 527 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,1,0,0,0,0|1,0,0]=3 528 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [1,1,0,0,0,0|0,0,0]=2 529 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [1,1,0,0,0,0|0,0,2]=4 530 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [1,1,0,0,0,0|0,0,2]=4 531 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,1,0,0,0,0|1,0,1]=4 532 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [1,1,0,0,0,0|1,0,0]=3 533 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [1,1,0,0,0,0|0,0,0]=2 534 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [1,1,0,0,0,0|0,0,0]=2 535 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [1,1,0,0,0,0|1,0,0]=3 536 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [1,1,0,0,0,0|1,0,0]=3 537 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [1,1,0,0,0,0|1,0,0]=3 538 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,1,0,0,0,0|1,0,0]=3 539 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [1,1,0,0,0,0|2,0,0]=4 540 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [1,1,0,0,0,0|1,0,0]=3 541 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [1,1,0,0,0,0|0,0,0]=2 542 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [1,1,0,0,0,0|0,0,1]=3 543 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [1,1,0,0,0,0|1,0,1]=4 544 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [1,1,0,0,0,0|0,0,0]=2 545 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [1,1,0,0,0,0|1,0,0]=3 546 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [1,1,0,0,0,0|0,0,0]=2 547 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [1,1,0,0,0,0|1,0,0]=3 548 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [1,1,0,0,0,0|1,0,0]=3 549 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [1,1,0,0,0,0|0,0,2]=4 550 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [1,1,0,0,0,0|0,0,2]=4 551 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [1,1,0,0,0,0|0,0,1]=3 552 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [1,1,0,0,0,0|0,0,0]=2 553 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [1,1,0,0,0,0|2,0,0]=4 554 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [1,1,0,0,0,0|0,0,0]=2 555 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [1,1,0,0,0,0|0,0,2]=4 556 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [1,1,0,0,0,0|1,0,0]=3 557 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [1,1,0,0,0,0|0,0,0]=2 558 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [1,1,0,0,0,0|0,0,0]=2 559 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [1,1,0,0,0,0|2,0,0]=4 560 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [1,1,0,0,0,0|2,0,0]=4 561 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [1,1,0,0,0,0|1,0,0]=3 562 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [1,1,0,0,0,0|1,0,0]=3 563 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [1,1,0,0,0,0|2,0,0]=4 564 B8R0.14 N[C@@H](CCS)S(=O)(=O)O CNP0045993.1 [1,1,0,0,0,0|2,0,0]=4 565 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [1,1,0,0,0,0|0,0,2]=4 566 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,1,0,0,0,0|0,0,0]=2 567 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [1,1,0,0,0,0|1,0,0]=3 568 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [1,1,0,0,0,0|1,0,1]=4 569 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [1,1,0,0,0,0|1,0,1]=4 570 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [1,1,0,0,0,0|1,0,1]=4 571 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [1,1,0,0,0,0|1,0,1]=4 572 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [1,1,0,0,0,0|1,0,0]=3 573 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,1,0,0,0,0|1,0,1]=4 574 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [1,1,0,0,0,0|1,0,1]=4 575 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,1,0,0,0,0|1,0,1]=4 576 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,0]=3 577 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|2,0,0]=4 578 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|2,0,0]=4 579 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,1,0,0,0,0|1,0,0]=3 580 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,1,0,0,0,0|1,0,1]=4 581 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,1,0,0,0,0|1,0,1]=4 582 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [1,1,0,0,0,0|0,0,2]=4 583 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,1,0,0,0,0|2,0,0]=4 584 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [1,1,0,0,0,0|1,0,0]=3 585 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [1,1,0,0,0,0|0,0,2]=4 586 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,1,0,0,0,0|0,0,0]=2 587 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,1,0,0,0,0|2,0,0]=4 588 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,2]=4 589 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|1,0,1]=4 590 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,1,0,0,0,0|1,0,1]=4 591 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,0]=2 592 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|0,1,0]=3 593 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [1,1,0,0,0,0|1,0,1]=4 594 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [1,1,0,0,0,0|1,0,1]=4 595 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [1,1,0,0,0,0|1,0,0]=3 596 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [1,1,0,0,0,0|1,0,0]=3 597 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [1,1,0,0,0,0|1,0,0]=3 598 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [1,1,0,0,0,0|1,0,1]=4 599 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [1,1,0,0,0,0|1,0,1]=4 600 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [1,1,0,0,0,0|1,0,0]=3 601 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [1,1,0,0,0,0|0,0,2]=4 602 B8R0.29 CN(C)CCP(=O)(O)O CNP0185687.0 [1,1,0,0,0,0|2,0,0]=4 603 B8R0.29 CN(C)CCS(=O)(=O)O CNP0155138.0 [1,1,0,0,0,0|2,0,0]=4 604 B8R0.29 CS(=O)(=O)CCC(=O)O CNP0352253.0 [1,1,0,0,0,0|2,0,0]=4 605 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [1,1,0,0,0,0|1,0,1]=4 606 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [1,1,0,0,0,0|1,0,1]=4 607 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,1,0,0,1,0|0,0,0]=2 608 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,1,0,0,1,0|1,0,0]=3 609 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,1,0,0,1,0|2,0,0]=4 610 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,1,0,0,1,0|2,0,0]=4 611 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,1,0,0,1,0|0,0,0]=2 612 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,1,0,0,1,0|1,0,0]=3 613 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,1,0,0,1,0|0,0,0]=2 614 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,1,0,0,1,0|1,0,0]=3 615 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,1,0,0,1,0|1,0,0]=3 616 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [0,1,0,0,1,0|1,0,0]=3 617 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,1,0,0,1,0|0,0,1]=3 618 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,1,0,0,1,0|1,0,0]=3 619 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,1,0,0,1,0|0,0,0]=2 620 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,1,0,0,1,0|1,0,0]=3 621 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,1,0,0,1,0|0,0,0]=2 622 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,1,0,0,1,0|1,0,0]=3 623 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,1,0,0,1,0|1,0,0]=3 624 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,1,0,0,1,0|0,0,0]=2 625 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,1,0,0,1,0|1,0,0]=3 626 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,1,0,0,1,0|0,0,0]=2 627 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,1,0,0,1,0|0,0,0]=2 628 B8R0.27 CC(C)[C@H](N)P(=O)(O)O CNP0050135.1 [0,1,0,0,1,0|1,0,0]=3 629 B8R0.27 C[C@H](O)[C@@H](N)P(=O)(O)O CNP0360371.1 [0,1,0,0,1,0|2,0,0]=4 630 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,1,0,0,1,0|0,0,0]=2 631 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,1,0,0,1,0|0,0,0]=2 632 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,1,0,0,1,0|2,0,0]=4 633 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [0,1,0,0,1,0|2,0,0]=4 634 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,1,0,0,1,0|2,0,0]=4 635 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,1,0,0,1,0|2,0,0]=4 636 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,1,0,0,1,0|2,0,0]=4 637 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,1,0,0,0,1|2,0,0]=4 638 B10R0.13 CC(C)C[C@@H](N)[C@@H](O)C(=O)O CNP0167620.1 [0,1,0,0,0,1|1,0,0]=3 639 B10R0.13 CC(C)C[C@@H](N)[C@H](O)C(=O)O CNP0167620.2 [0,1,0,0,0,1|1,0,0]=3 640 B10R0.13 CC(C)C[C@H](N)[C@@H](O)C(=O)O CNP0167620.4 [0,1,0,0,0,1|1,0,0]=3 641 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O CNP0167620.3 [0,1,0,0,0,1|1,0,0]=3 642 B10R0.43 CC(=O)CCC(N)(N)C(=O)O CNP0518279.0 [0,1,0,0,0,1|1,0,1]=4 643 B10R0.43 CC(C)CC[C@@](C)(N)C(=O)O CNP0574923.1 [0,1,0,0,0,1|0,0,0]=2 644 B10R0.43 CC(C)CC[C@](C)(N)C(=O)O CNP0574923.2 [0,1,0,0,0,1|0,0,0]=2 645 B10R0.43 C[C@H](N)CC[C@@](N)(O)C(=O)O CNP0220767.1 [0,1,0,0,0,1|1,0,0]=3 646 B10R0.82 C/C(=C/C[C@H](N)C(=O)O)/CO CNP0153895.1 [0,1,0,0,0,1|0,0,1]=3 647 B10R0.82 C/C(=C\C[C@H](N)C(=O)O)/CO CNP0153895.2 [0,1,0,0,0,1|0,0,1]=3 648 B10R0.82 C/N=[N+](\[O-])/CC[C@H](N)C(=O)O CNP0541891.1 [0,1,0,0,0,1|2,0,0]=4 649 B10R0.82 CN=[N+]([O-])CC[C@H](N)C(=O)O CNP0541891.2 [0,1,0,0,0,1|2,0,0]=4 650 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O CNP0587641.1 [0,1,0,0,0,1|1,0,1]=4 651 B10R0.82 NC(CCP(=O)CO)C(=O)O CNP0023391.0 [0,1,0,0,0,1|2,0,0]=4 652 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O CNP0308911.1 [0,1,0,0,0,1|1,0,0]=3 653 B10R0.82 N[C@@H](C/C=C(\Cl)/CO)C(=O)O CNP0102799.1 [0,1,0,0,0,1|1,0,1]=4 654 B10R0.84 CC(C)SN[C@@H](CS)C(=O)O CNP0500626.1 [0,1,0,0,0,1|2,0,0]=4 655 B10R0.84 CNC(CCC(=O)C)C(=O)O CNP0217450.0 [0,1,0,0,0,1|1,0,1]=4 656 B10R0.84 CN[C@@H](CC[S@@+](C)[O-])C(=O)O CNP0603443.1 [0,1,0,0,0,1|2,0,0]=4 657 B10R0.84 CN[C@@H](CC[S@@H+](C)[O-])C(=O)O CNP0533596.1 [0,1,0,0,0,1|2,0,0]=4 658 B10R0.84 CO[C@@H](CC[S+](C)C)C(=O)O CNP0017604.1 [0,1,0,0,0,1|2,0,0]=4 659 B10R0.92 CP(=O)(O)CC[C@@H](N)C(=O)O CNP0251316.1 [0,1,0,0,0,1|2,0,0]=4 660 B10R0.92 CP(=O)(O)CC[C@H](N)C(=O)O CNP0251316.3 [0,1,0,0,0,1|2,0,0]=4 661 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O CNP0129960.2 [0,1,0,0,0,1|2,0,0]=4 662 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O CNP0356137.2 [0,1,0,0,0,1|2,0,0]=4 663 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O CNP0356137.1 [0,1,0,0,0,1|2,0,0]=4 664 B10R0.92 C[As](=O)(C)SC[C@H](N)C(=O)O CNP0556688.1 [0,1,0,0,0,1|1,0,0]=3 665 B10R0.92 C[As](=O)(O)CCC(N)C(=O)O CNP0531933.0 [0,1,0,0,0,1|2,0,0]=4 666 B10R0.92 C[P@@](=O)(O)CC[C@@H](N)C(=O)O CNP0251316.2 [0,1,0,0,0,1|2,0,0]=4 667 B10R0.92 C[P@@](=O)(O)CC[C@H](N)C(=O)O CNP0251316.5 [0,1,0,0,0,1|2,0,0]=4 668 B10R0.92 C[P@](=O)(O)CC[C@@H](N)C(=O)O CNP0251316.4 [0,1,0,0,0,1|2,0,0]=4 669 B10R0.92 C[S@@](=N)(=O)CC[C@H](N)C(=O)O CNP0129960.1 [0,1,0,0,0,1|2,0,0]=4 670 B10R0.92 C[S@](=N)(=O)CC[C@H](N)C(=O)O CNP0129960.3 [0,1,0,0,0,1|2,0,0]=4 671 B10R0.93 C[C@H](C[C@@H](N)C(=O)O)C(Cl)Cl CNP0429464.1 [0,1,0,0,0,1|2,0,0]=4 672 B10R0.31 C[N+](C)(C)C[C@@H](N)CC(=O)O CNP0558664.2 [0,1,0,0,0,1|1,0,0]=3 673 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O CNP0508718.1 [0,1,0,0,0,1|2,0,0]=4 674 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)O CNP0558664.1 [0,1,0,0,0,1|1,0,0]=3 675 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] CNP0541676.1 [0,1,0,0,0,1|1,0,1]=4 676 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CNP0508718.2 [0,1,0,0,0,1|2,0,0]=4 677 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CNP0508718.4 [0,1,0,0,0,1|2,0,0]=4 678 B10R0.31 [14CH3][N+]([14CH3])([14CH3])C[C@@H](O)CC(=O)O CNP0508718.3 [0,1,0,0,0,1|2,0,0]=4 679 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,1,0,0,0,1|2,0,0]=4 680 B10R0.44 NC[C@H](O)C[C@@H](N)CC(=O)O CNP0148368.1 [0,1,0,0,0,1|1,0,0]=3 681 B10R0.70 CC(=O)C[C@@H](C#N)CC(C)C CNP0195337.1 [0,1,0,0,0,1|1,0,1]=4 682 B10R0.70 CC(=O)NC(CO)CC(C)C CNP0182261.0 [0,1,0,0,0,1|2,0,0]=4 683 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O CNP0034778.2 [0,1,0,0,0,1|0,0,0]=2 684 B10R0.70 CC(C)C[C@H](CN)CC(=O)O CNP0034778.1 [0,1,0,0,0,1|0,0,0]=2 685 B10R0.154 CC(=O)C(O)C(O)C(C)(C)C CNP0344246.0 [0,2,0,0,0,0|2,0,0]=4 686 B10R0.154 [2H]C([2H])([2H])C(C)[C@H]([15NH2])C(=O)O CNP0152507.3 [0,2,0,0,0,0|2,0,0]=4 687 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|0,0,0]=2 688 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|1,0,0]=3 689 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|2,0,0]=4 690 B10R0.37 COC(=O)C(C)C[N+](C)(C)C CNP0503776.0 [0,2,0,0,0,0|2,0,0]=4 691 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|2,0,0]=4 692 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,2,0,0,0,0|1,0,0]=3 693 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CNP0177660.1 [0,2,0,0,0,0|1,0,1]=4 694 B10R0.56 COC(=O)[C@H](O)[C@H](N)C(=O)O CNP0156686.1 [0,2,0,0,0,0|1,0,1]=4 695 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)C=O CNP0118352.1 [0,2,0,0,0,0|1,0,1]=4 696 B10R0.56 C[C@@H]([C@H](O)CO)[C@H](N)C(=O)O CNP0241945.2 [0,2,0,0,0,0|1,0,0]=3 697 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO CNP0085554.1 [0,2,0,0,0,0|2,0,0]=4 698 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO CNP0085554.3 [0,2,0,0,0,0|2,0,0]=4 699 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)C(=O)CO CNP0085554.2 [0,2,0,0,0,0|2,0,0]=4 700 B10R0.56 C[C@H]([C@H](N)C(=O)O)[C@@H](O)CO CNP0241945.1 [0,2,0,0,0,0|1,0,0]=3 701 B10R0.56 N[C@@H](C(=O)O)[C@@H](O)[C@H](O)CO CNP0245634.1 [0,2,0,0,0,0|1,0,0]=3 702 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]=4 703 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]=4 704 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]=4 705 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]=4 706 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]=4 707 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]=4 708 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]=4 709 B10R0.23 CCCC(CC(C)O)C(=O)O CNP0580623.0 [0,2,0,0,0,0|2,0,0]=4 710 B10R0.76 CNC(C(=O)O)C(C)C(C)C CNP0232958.0 [0,2,0,0,0,0|0,0,0]=2 711 B10R0.95 CN[C@@H](CC(C)(C)C)C(=O)O CNP0503453.2 [0,2,0,0,0,0|0,0,0]=2 712 B10R0.95 CN[C@H](CC(C)(C)C)C(=O)O CNP0503453.1 [0,2,0,0,0,0|0,0,0]=2 713 B10R0.162 CC(C)CC(C(=O)O)C(C)C CNP0510009.0 [0,2,0,0,0,0|1,0,0]=3 714 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C CNP0583312.1 [0,2,0,0,0,0|0,0,0]=2 715 B10R0.26 C#CC[C@@H](O)C[C@H](N)C(=O)O CNP0170065.1 [0,2,0,0,0,0|1,0,0]=3 716 B10R0.26 C#CC[C@H](O)C[C@H](N)C(=O)O CNP0170065.2 [0,2,0,0,0,0|1,0,0]=3 717 B10R0.26 C/C(=C\CO)/C[C@H](N)C(=O)O CNP0197260.1 [0,2,0,0,0,0|0,0,1]=3 718 B10R0.26 C/C=C/[S+]([O-])C[C@H](N)C(=O)O CNP0598229.1 [0,2,0,0,0,0|2,0,0]=4 719 B10R0.26 C/C=C/[S@+]([O-])C[C@H](N)C(=O)O CNP0598229.4 [0,2,0,0,0,0|2,0,0]=4 720 B10R0.26 C/C=C/[S@@+]([O-])C[C@H](N)C(=O)O CNP0598229.2 [0,2,0,0,0,0|2,0,0]=4 721 B10R0.26 C/C=C/[S@H+]([O-])C[C@H](N)C(=O)O CNP0603980.2 [0,2,0,0,0,0|2,0,0]=4 722 B10R0.26 C/C=C\[S@+]([O-])C[C@H](N)C(=O)O CNP0598229.3 [0,2,0,0,0,0|2,0,0]=4 723 B10R0.26 C/C=C\[S@H+]([O-])C[C@H](N)C(=O)O CNP0603980.1 [0,2,0,0,0,0|2,0,0]=4 724 B10R0.26 C=CC[S+]([O-])C[C@@H](N)C(=O)O CNP0583631.4 [0,2,0,0,0,0|2,0,0]=4 725 B10R0.26 C=CC[S+]([O-])C[C@H](N)C(=O)O CNP0583631.1 [0,2,0,0,0,0|2,0,0]=4 726 B10R0.26 C=CC[S@+]([O-])C[C@@H](N)C(=O)O CNP0583631.5 [0,2,0,0,0,0|2,0,0]=4 727 B10R0.26 C=CC[S@+]([O-])C[C@H](N)C(=O)O CNP0583631.2 [0,2,0,0,0,0|2,0,0]=4 728 B10R0.26 C=CC[S@@+]([O-])C[C@@H](N)C(=O)O CNP0583631.6 [0,2,0,0,0,0|2,0,0]=4 729 B10R0.26 C=CC[S@@+]([O-])C[C@H](N)C(=O)O CNP0583631.3 [0,2,0,0,0,0|2,0,0]=4 730 B10R0.26 C=CC[S@@H+]([O-])C[C@@H](N)C(=O)O CNP0575652.2 [0,2,0,0,0,0|2,0,0]=4 731 B10R0.26 C=CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0575652.1 [0,2,0,0,0,0|2,0,0]=4 732 B10R0.26 CC=C[Se](=O)CC(N)C(=O)O CNP0229160.0 [0,2,0,0,0,0|2,0,0]=4 733 B10R0.26 CCC[S+]([O-])C[C@H](N)C(=O)O CNP0487043.1 [0,2,0,0,0,0|2,0,0]=4 734 B10R0.26 CCC[S@+]([O-])C[C@H](N)C(=O)O CNP0487043.2 [0,2,0,0,0,0|2,0,0]=4 735 B10R0.26 CCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0538911.1 [0,2,0,0,0,0|2,0,0]=4 736 B10R0.26 CCOC(C)OC(C)C(=O)O CNP0445078.0 [0,2,0,0,0,0|2,0,0]=4 737 B10R0.26 CSC[S@+]([O-])C[C@H](N)C(=O)O CNP0546443.1 [0,2,0,0,0,0|2,0,0]=4 738 B10R0.26 CSC[S@H+]([O-])C[C@H](N)C(=O)O CNP0547280.1 [0,2,0,0,0,0|2,0,0]=4 739 B10R0.26 NCCC(=O)C[C@H](N)C(=O)O CNP0253438.1 [0,2,0,0,0,0|1,0,1]=4 740 B10R0.26 N[C@@H](C[S@+]([O-])CCO)C(=O)O CNP0513802.1 [0,2,0,0,0,0|2,0,0]=4 741 B10R0.26 N[C@@H](C[S@H+]([O-])CCO)C(=O)O CNP0527052.1 [0,2,0,0,0,0|2,0,0]=4 742 B10R0.67 C#C[C@](C)(O)C[C@H](N)C(=O)O CNP0196006.1 [0,2,0,0,0,0|0,0,1]=3 743 B10R0.67 C[C@](O)(CO)C[C@H](N)C(=O)O CNP0316201.1 [0,2,0,0,0,0|0,0,0]=2 744 B10R0.72 C#C[C@@H](CO)C[C@H](N)C(=O)O CNP0396556.1 [0,2,0,0,0,0|0,0,1]=3 745 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [1,0,0,1,0,0|1,0,0]=3 746 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [1,0,0,1,0,0|1,0,0]=3 747 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,0,0,1,0,0|2,0,0]=4 748 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,0,0,1,0,0|2,0,0]=4 749 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [1,0,0,1,0,0|1,0,0]=3 750 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|2,0,0]=4 751 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|1,0,0]=3 752 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,0,0,1,0,0|1,0,1]=4 753 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,0,0,1,0,0|1,0,1]=4 754 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|1,0,0]=3 755 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,0,0,1,0,0|1,0,1]=4 756 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,0,0,1,0,0|1,0,1]=4 757 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|2,0,0]=4 758 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,0]=3 759 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [1,0,0,1,0,0|1,0,0]=3 760 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|0,0,2]=4 761 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [1,0,0,1,0,0|0,0,2]=4 762 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [1,0,0,1,0,0|0,0,2]=4 763 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,0]=3 764 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|1,0,0]=3 765 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,1,0,0|2,0,0]=4 766 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|1,0,1]=4 767 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|0,0,2]=4 768 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|0,0,0]=2 769 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,1,0,0|2,0,0]=4 770 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [1,0,0,1,0,0|1,0,0]=3 771 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [1,0,0,1,0,0|1,0,0]=3 772 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|0,0,0]=2 773 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,0]=3 774 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,1,0,0|2,0,0]=4 775 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [1,0,0,1,0,0|1,0,0]=3 776 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [1,0,0,1,0,0|1,0,0]=3 777 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [1,0,0,1,0,0|1,0,1]=4 778 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [1,0,0,1,0,0|0,0,0]=2 779 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [1,0,0,1,0,0|0,0,0]=2 780 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,0]=3 781 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|2,0,0]=4 782 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|2,0,0]=4 783 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [1,0,0,1,0,0|1,0,1]=4 784 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|1,0,1]=4 785 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [1,0,0,1,0,0|1,0,0]=3 786 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,0,1,1,0|2,0,0]=4 787 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,0,1,1,0|2,0,0]=4 788 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,1,1,0|1,0,0]=3 789 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,1,1,0|1,1,0]=4 790 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,0,1,1,0|2,0,0]=4 791 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,0,0,1,1,0|2,0,0]=4 792 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,0,0,1,1,0|2,0,0]=4 793 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,0,0,1,1,0|2,0,0]=4 794 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,0,0,1,1,0|2,0,0]=4 795 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,0,0,1,0,1|1,0,0]=3 796 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O CNP0286409.3 [0,0,0,1,0,1|1,0,0]=3 797 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O CNP0286409.4 [0,0,0,1,0,1|1,0,0]=3 798 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,0,0,1,0,1|2,0,0]=4 799 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O CNP0286409.2 [0,0,0,1,0,1|1,0,0]=3 800 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O CNP0286409.1 [0,0,0,1,0,1|1,0,0]=3 801 B10R1.58 CC(C)[C@@H]1C=C(C(=O)O1)N CNP0526370.1 [0,0,0,1,0,1|0,0,1]=3 802 B10R1.190 C=C1CC1C[C@H](N)C(=O)O CNP0301702.2 [0,0,0,1,0,1|0,0,2]=4 803 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O CNP0301702.3 [0,0,0,1,0,1|0,0,2]=4 804 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O CNP0301702.1 [0,0,0,1,0,1|0,0,2]=4 805 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C CNP0567767.1 [0,0,0,1,0,1|0,0,0]=2 806 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C CNP0566661.2 [0,0,0,1,0,1|1,0,0]=3 807 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C CNP0566661.1 [0,0,0,1,0,1|1,0,0]=3 808 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,0,0,1,0,1|1,0,0]=3 809 B10R1.59 C[C@@H]1C[C@@H]([C@@H](N1)C(=O)O)O CNP0392370.1 [0,0,0,1,0,1|2,0,0]=4 810 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0153651.1 [0,0,0,1,0,1|2,0,0]=4 811 B10R1.329 CC1=CC(=O)OC(C1)(C)C CNP0077000.0 [0,0,0,1,0,1|1,0,1]=4 812 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,0,0,1,0,1|2,0,0]=4 813 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,1,0,0|1,0,0]=3 814 B10R1.194 C[C@H]1CN[C@@H]([C@H]1O)C(=O)O CNP0315433.1 [0,1,0,1,0,0|0,0,0]=2 815 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O CNP0331184.2 [0,1,0,1,0,0|1,0,0]=3 816 B10R1.194 O=C(O)[C@H]1NC[C@@H]([C@H]1O)O CNP0331184.4 [0,1,0,1,0,0|1,0,0]=3 817 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@@H]1O)O CNP0331184.1 [0,1,0,1,0,0|1,0,0]=3 818 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@H]1O)O CNP0331184.3 [0,1,0,1,0,0|1,0,0]=3 819 B10R1.271 CC1CC(C(=O)C1=O)(C)C CNP0178824.0 [0,1,0,1,0,0|1,0,1]=4 820 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,1,0,1,0,0|2,0,0]=4 821 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,1,0,1,0,0|2,0,0]=4 822 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,1,0,1,0,0|2,0,0]=4 823 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,1,0,1,0,0|2,0,0]=4 824 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,1,0,1,0,0|1,0,0]=3 825 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,1,0,1,0,0|1,0,0]=3 826 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,1,0,1,0,0|2,0,0]=4 827 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,1,0,1,0,0|1,0,0]=3 828 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,1,0,1,0,0|1,0,0]=3 829 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [0,1,0,1,0,0|2,0,0]=4 830 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,1,0,1,0,0|1,0,0]=3 831 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [0,1,0,1,0,0|1,0,0]=3 832 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,1,0,1,0,0|1,0,0]=3 833 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [0,1,0,1,0,0|2,0,0]=4 834 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,1,0,1,0,0|1,0,0]=3 835 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [0,1,0,1,0,0|1,0,0]=3 836 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,1,0,1,0,0|1,0,0]=3 837 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [0,1,0,1,0,0|1,0,0]=3 838 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [0,1,0,1,0,0|2,0,0]=4 839 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,1,0,1,0,0|1,0,1]=4 840 B10R1.31 O=C(O)[C@@H]1C[C@@H](CN1)CO CNP0249582.1 [0,1,0,1,0,0|0,0,0]=2 841 B10R1.31 O=C(O)[C@@H]1C[C@H](CN1)CO CNP0249582.4 [0,1,0,1,0,0|0,0,0]=2 842 B10R1.31 O=C(O)[C@H]1C[C@@H](CN1)CO CNP0249582.3 [0,1,0,1,0,0|0,0,0]=2 843 B10R1.31 O=C(O)[C@H]1C[C@H](CN1)CO CNP0249582.2 [0,1,0,1,0,0|0,0,0]=2 844 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|1,0,0]=3 845 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]=3 846 B10R1.490 NC1(CC(C1)CO)C(=O)O CNP0182129.0 [0,1,0,1,0,0|0,0,0]=2 847 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,1,0,1,0,0|2,0,0]=4 848 B10R1.278 CC(C1CC1)[C@H](N)C(=O)O CNP0374571.2 [0,1,0,1,0,0|0,0,0]=2 849 B10R1.278 C[C@@H](C1CC1)[C@H](N)C(=O)O CNP0374571.1 [0,1,0,1,0,0|0,0,0]=2 850 B10R1.278 C[C@H](C1CC1)[C@H](N)C(=O)O CNP0374571.3 [0,1,0,1,0,0|0,0,0]=2 851 B10R2.348 O=C(O)[C@@]12C[C@@H](C1)CN2 CNP0372352.1 [0,0,0,2,0,0|0,0,0]=2 852 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [0,0,0,2,0,0|0,0,0]=2 853 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [0,0,0,2,0,0|0,0,0]=2 854 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,0,0,0,0,1|1,0,1]=4 855 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,0,0,0,0,1|1,0,1]=4 856 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [1,0,0,0,0,1|1,0,1]=4 857 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,0,0,0,0,1|1,0,0]=3 858 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [1,0,0,0,0,1|1,0,1]=4 859 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,0,0,0,0,1|1,0,0]=3 860 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,0,0,0,0,1|1,0,0]=3 861 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,0,0,0,0,1|2,0,0]=4 862 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [1,0,0,0,0,1|1,1,0]=4 863 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [1,0,0,0,0,1|0,0,1]=3 864 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [1,0,0,0,0,1|1,0,0]=3 865 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,0,0,0,0,1|0,0,0]=2 866 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [1,0,0,0,0,1|0,1,0]=3 867 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,0,0,0,0,1|1,0,1]=4 868 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [1,0,0,0,0,1|1,0,1]=4 869 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [1,0,0,0,0,1|1,0,0]=3 870 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,0,0,0,0,1|1,0,0]=3 871 B10R0.96 C[S+](C)CC[C@H](O)CC(=O)O CNP0018375.1 [0,0,0,0,0,2|2,0,0]=4 872 B10R0.98 CC(=CCCC(C)C(=O)O)C CNP0436414.0 [0,0,0,0,0,2|1,0,1]=4 873 B10R0.98 CC(=O)CSC[C@H](N)C(=O)O CNP0525755.1 [0,0,0,0,0,2|1,0,1]=4 874 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,0,0,0,0,2|1,0,1]=4 875 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,0,0,0,0,2|1,0,1]=4 876 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,0,0,0,0,2|1,0,1]=4 877 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,0,0,0,0,2|1,0,0]=3 878 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,0,0,0,0,2|0,0,0]=2