0 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,0,0,0,0,0|1,0,1]=2 13 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,0,0,0,0,0|0,0,2]=2 16 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,0,0,0,0,0|0,0,0]=0 19 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,0,0,0,0,0|0,0,2]=2 21 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,0,0,0,0,0|1,0,1]=2 22 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,0,0,0,0,0|0,0,2]=2 23 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,0,0,0,0,0|0,0,3]=4 45 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,0,0,0,0,0|0,0,1]=2 47 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,0,0,0,0,0|0,0,1]=2 50 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,0,0,0,0,0|0,0,1]=2 54 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [1,0,0,0,0,0|2,1,0]=4 55 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [1,0,0,0,0,0|2,1,0]=4 56 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [1,0,0,0,0,0|0,0,3]=4 73 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,0,0,0,0,0|0,0,2]=3 76 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,0,0,0,0,0|1,0,0]=2 79 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,0,0,0,0|0,0,0]=1 80 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,0,0,0,0|1,0,1]=3 82 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,0,0,0,0|1,0,1]=3 83 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,0,0,0,0|1,0,1]=3 94 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,0,0,0,0|0,0,2]=3 95 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,0,0,0,0,0|1,0,2]=4 115 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,0,0,0,0,0|1,0,1]=3 116 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,0,0,0,0,0|1,0,1]=3 118 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [1,0,0,0,0,0|1,0,2]=4 125 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [1,0,0,0,0,0|2,0,0]=3 131 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [1,0,0,0,0,0|1,0,1]=3 134 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [1,0,0,0,0,0|0,0,2]=3 135 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [1,0,0,0,0,0|1,1,1]=4 138 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [1,0,0,0,0,0|1,0,0]=2 142 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [1,0,0,0,0,0|0,0,0]=1 143 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [1,0,0,0,0,0|1,0,1]=3 145 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [1,0,0,0,0,0|1,0,1]=3 146 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [1,0,0,0,0,0|1,0,2]=4 147 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [1,0,0,0,0,0|0,0,2]=3 148 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [1,0,0,0,0,0|1,0,1]=3 149 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [1,0,0,0,0,0|0,0,2]=3 150 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [1,0,0,0,0,0|1,0,0]=2 151 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [1,0,0,0,0,0|1,0,0]=2 157 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [1,0,0,0,0,0|1,0,2]=4 161 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [1,0,0,0,0,0|1,0,2]=4 163 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [1,0,0,0,0,0|2,0,1]=4 165 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [1,0,0,0,0,0|2,0,1]=4 166 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [1,0,0,0,0,0|1,0,1]=3 178 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,1,0,0,0,0|1,0,1]=3 180 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.25 CC[C@@H](C)[C@@H](N)P(=O)(O)O CNP0066910.1 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.27 C=C(C(=O)OC)[C@@H](O)CO CNP0233477.1 [0,1,0,0,0,0|3,0,0]=4 184 B9R0.27 C=C(C(=O)OC)[C@H](O)CO CNP0233477.2 [0,1,0,0,0,0|3,0,0]=4 185 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,1,0,0,0,0|1,0,0]=2 186 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,1,0,0,0,0|0,0,0]=1 187 B9R0.27 CCC(C)C(=O)C(C)CC CNP0499224.0 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,1,0,0,0,0|1,0,1]=3 190 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,1,0,0,0,0|0,0,2]=3 191 B9R0.27 COC(=O)C(=O)C(=O)OC CNP0423132.0 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.28 CCN(C)C(C)(C)C(=O)O CNP0593233.0 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.29 CCC(C)C(CC)C(=O)N CNP0490151.0 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,1,0,0,0,0|1,0,1]=3 195 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,1,0,0,0,0|1,0,1]=3 196 B9R0.29 CC[C@@H](O)[C@H](NC)C(=O)O CNP0169081.1 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,1,0,0,0,0|1,0,1]=3 198 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,1,0,0,0,0|1,0,1]=3 199 B9R0.32 CC(C)(CO)C(=O)C(=O)O CNP0358941.0 [0,1,0,0,0,0|1,0,0]=2 200 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O CNP0159031.1 [0,1,0,0,0,0|1,0,2]=4 201 B9R0.32 CC(C)(CO)[C@H](N)C(=O)O CNP0161879.1 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O CNP0159031.2 [0,1,0,0,0,0|1,0,2]=4 203 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,1,0,0,0,0|0,0,0]=1 204 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,1,0,0,0,0|0,0,0]=1 205 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O CNP0207481.1 [0,1,0,0,0,0|0,0,2]=3 206 B9R0.32 CC[C@](C)(O)[C@@H](O)C(=O)O CNP0207481.2 [0,1,0,0,0,0|0,0,2]=3 207 B9R0.32 COC(C)(C)[C@H](N)C(=O)O CNP0302352.1 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.41 CCC(CC)[C@@H](N)C(=O)O CNP0494081.2 [0,1,0,0,0,0|1,0,1]=3 209 B9R0.41 CCC(CC)[C@H](N)C(=O)O CNP0494081.1 [0,1,0,0,0,0|1,0,1]=3 210 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,1,0,0,0,0|1,0,2]=4 211 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,0,0,0,0|1,0,1]=3 212 B9R0.79 CC(C)N(O)C(=O)C(=O)O CNP0493755.0 [0,1,0,0,0,0|2,0,0]=3 213 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,0,0,0,0|2,0,1]=4 215 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,1,0,0,0,0|1,0,1]=3 216 B9R0.79 CN(C(=N)N)C(=O)C(=O)O CNP0144024.0 [0,1,0,0,0,0|2,0,1]=4 217 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,1,0,0,0,0|1,0,2]=4 218 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,1,0,0,0,0|1,0,1]=3 219 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,1,0,0,0,0|1,0,1]=3 220 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,1,0,0,0,0|1,0,1]=3 221 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,1,0,0,0,0|1,0,1]=3 222 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,1,0,0,0,0|1,0,1]=3 223 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,1,0,0,0,0|1,0,1]=3 224 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,0,0,1,0,0|2,0,1]=4 225 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,0,0,1,0,0|2,0,1]=4 226 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,1,0,0|1,0,0]=2 227 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,0,0,1,0,0|2,0,0]=3 228 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,0,0,1,0,0|1,0,2]=4 229 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,0,0,1,0,0|1,0,1]=3 230 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,0,0,1,0,0|0,0,2]=3 231 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,0,0,1,0,0|0,0,2]=3 232 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,0,0,1,0,0|1,0,1]=3 234 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,0,0,1,0,0|2,0,1]=4 235 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,0,0,1,0,0|1,0,0]=2 236 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,0,0,1,0,0|1,0,2]=4 237 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,0,0,1,0,0|1,0,2]=4 238 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,0,0,1,0,0|1,0,1]=3 239 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,0,0,1,0,0|2,0,0]=3 241 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,0,0,1,0,0|2,0,1]=4 242 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,0,0,1,0,0|2,0,1]=4 243 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,0,0,1,0,0|1,0,1]=3 244 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,0,0,1,0,0|1,0,1]=3 245 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,0,0,1,0,0|2,0,1]=4 246 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,0,0,1,0,0|2,0,1]=4 247 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,0,0,1,0,0|2,0,1]=4 248 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,0,0,1,0,0|2,0,1]=4 249 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,0,0,1,0,0|2,0,1]=4 250 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,0,0,1,0,0|2,0,1]=4 251 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,0,0,1,0,0|2,0,1]=4 252 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,0,0,1,0,0|2,0,1]=4 253 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,0,0,1,0,0|2,0,1]=4 254 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,0,0,1,0,0|1,0,1]=3 255 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,0,0,1,0,0|1,0,1]=3 256 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,0,0,1,0,0|1,0,1]=3 257 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,0,0,1,0,0|1,0,1]=3 258 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,0,0,1,0,0|1,0,0]=2 259 B9R1.111 CC1(CC1)[C@H](N)C(=O)O CNP0197750.1 [0,0,0,1,0,0|1,0,1]=3 260 B9R1.111 N[C@H](C(=O)O)C1(CC1)O CNP0161832.1 [0,0,0,1,0,0|2,0,1]=4 261 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,0,0,1,0,0|1,0,2]=4 262 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,0,0,1,0,0|1,0,0]=2 263 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [0,0,0,0,0,1|2,0,1]=4 264 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,0,0,0,0,1|1,0,1]=3 265 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,0,0,0,0,1|1,0,1]=3 266 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,0,0,0,0,1|2,0,1]=4 267 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,0,0,0,0,1|2,0,0]=3 268 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,0,0,0,0,1|2,0,1]=4 269 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,0,0,0,0,1|2,0,0]=3 270 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,0,0,0,0,1|1,0,1]=3 271 B9R0.42 CNC(=O)NC(=O)C(=O)O CNP0105144.0 [0,0,0,0,0,1|2,0,1]=4 272 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,0,0,0,0,1|2,0,1]=4 273 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,0,0,0,0,1|2,0,0]=3 274 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.1 CC(=CC=O)CO CNP0083852.0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.1 CCC(C)C=NO CNP0605626.0 [2,0,0,0,0,0|1,0,0]=3 278 B6R0.1 CCC(C)CC=O CNP0531748.0 [2,0,0,0,0,0|0,0,1]=3 279 B6R0.1 CCC(C)NC=O CNP0583042.0 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.1 CCC(C)OC=O CNP0570369.0 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.1 CCC(C)ON=O CNP0521211.0 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.1 CCC=C(C)C=O CNP0245615.0 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.1 CCCC(=NO)C CNP0211014.0 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|0,0,0]=2 286 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|0,0,1]=3 288 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|1,0,1]=4 291 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [2,0,0,0,0,0|0,0,2]=4 293 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [2,0,0,0,0,0|0,0,2]=4 294 B6R0.1 CSC(C)CC=O CNP0002406.0 [2,0,0,0,0,0|1,0,1]=4 295 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [2,0,0,0,0,0|1,0,1]=4 297 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [2,0,0,0,0,0|1,0,1]=4 298 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [2,0,0,0,0,0|0,0,1]=3 299 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [2,0,0,0,0,0|2,0,0]=4 307 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [2,0,0,0,0,0|1,0,1]=4 309 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [2,0,0,0,0,0|1,0,1]=4 310 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [2,0,0,0,0,0|1,0,1]=4 312 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|0,0,1]=3 313 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [2,0,0,0,0,0|0,0,2]=4 314 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [2,0,0,0,0,0|1,0,1]=4 315 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|1,0,1]=4 316 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,1]=3 317 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,1]=4 320 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,1]=3 321 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,1]=3 322 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|2,0,0]=4 323 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,1]=4 326 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,1]=4 327 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,1]=4 328 B6R0.4 CSC=CC(=O)O CNP0140653.0 [2,0,0,0,0,0|1,0,1]=4 329 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,1]=4 330 B6R0.4 NCC=CC(=O)O CNP0250683.0 [2,0,0,0,0,0|1,0,1]=4 331 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,1]=4 332 B6R0.4 O=C(O)C=CCO CNP0097506.0 [2,0,0,0,0,0|1,0,1]=4 333 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,1]=4 334 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [2,0,0,0,0,0|0,0,2]=4 339 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [2,0,0,0,0,0|1,0,0]=3 340 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [2,0,0,0,0,0|1,0,1]=4 341 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [2,0,0,0,0,0|1,0,1]=4 342 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [2,0,0,0,0,0|1,0,1]=4 344 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [2,0,0,0,0,0|1,0,1]=4 345 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [2,0,0,0,0,0|0,0,2]=4 346 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|0,0,0]=2 349 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [2,0,0,0,0,0|1,0,1]=4 350 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [2,0,0,0,0,0|1,0,1]=4 351 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [2,0,0,0,0,0|1,0,1]=4 352 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [2,0,0,0,0,0|1,0,1]=4 353 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|0,0,1]=3 354 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [2,0,0,0,0,0|1,0,0]=3 355 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [2,0,0,0,0,0|1,0,0]=3 356 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [2,0,0,0,0,0|0,0,0]=2 357 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [2,0,0,0,0,0|0,0,2]=4 358 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [2,0,0,0,0,0|1,0,1]=4 359 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [2,0,0,0,0,0|1,0,1]=4 361 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [2,0,0,0,0,0|1,0,0]=3 362 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|0,0,1]=3 363 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [2,0,0,0,0,0|1,0,0]=3 364 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [2,0,0,0,0,0|1,0,0]=3 365 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [2,0,0,0,0,0|0,0,0]=2 366 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [2,0,0,0,0,0|1,0,1]=4 367 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [2,0,0,0,0,0|1,0,0]=3 368 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [2,0,0,0,0,0|1,0,0]=3 369 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [2,0,0,0,0,0|2,0,0]=4 370 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [2,0,0,0,0,0|1,0,0]=3 371 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [2,0,0,0,0,0|1,0,0]=3 372 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [2,0,0,0,0,0|1,0,0]=3 373 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [2,0,0,0,0,0|2,0,0]=4 374 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [2,0,0,0,0,0|2,0,0]=4 375 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [2,0,0,0,0,0|1,0,0]=3 376 B6R0.3 COC(=O)C(C)C CNP0354997.0 [2,0,0,0,0,0|2,0,0]=4 377 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [2,0,0,0,0,0|1,0,1]=4 378 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [2,0,0,0,0,0|1,0,1]=4 379 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [2,0,0,0,0,0|1,0,1]=4 380 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [2,0,0,0,0,0|1,0,0]=3 381 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [2,0,0,0,0,0|1,0,0]=3 382 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [2,0,0,0,0,0|1,0,0]=3 383 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [2,0,0,0,0,0|1,0,0]=3 384 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [2,0,0,0,0,0|2,0,0]=4 385 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [2,0,0,0,0,0|2,0,0]=4 386 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [2,0,0,0,0,0|2,0,0]=4 387 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [2,0,0,0,0,0|2,0,0]=4 388 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [2,0,0,0,0,0|2,0,0]=4 389 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [2,0,0,0,0,0|2,0,0]=4 390 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [2,0,0,0,0,0|2,0,0]=4 391 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [2,0,0,0,0,0|2,0,0]=4 392 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [2,0,0,0,0,0|2,0,0]=4 393 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [2,0,0,0,0,0|2,0,0]=4 394 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [2,0,0,0,0,0|2,0,0]=4 395 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [2,0,0,0,0,0|2,0,0]=4 396 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [2,0,0,0,0,0|2,0,0]=4 397 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [2,0,0,0,0,0|1,0,0]=3 398 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [2,0,0,0,0,0|1,0,0]=3 399 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [2,0,0,0,0,0|2,0,0]=4 400 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [2,0,0,0,0,0|2,0,0]=4 401 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [2,0,0,0,0,0|2,0,0]=4 402 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [2,0,0,0,0,0|2,0,0]=4 403 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [2,0,0,0,0,0|2,0,0]=4 404 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [2,0,0,0,0,0|1,0,1]=4 405 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [2,0,0,0,0,0|1,0,1]=4 406 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [2,0,0,0,0,0|1,0,1]=4 407 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [1,1,0,0,0,0|0,0,1]=3 408 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,1,0,0,0,0|1,0,1]=4 409 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|0,0,1]=3 410 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|0,0,1]=3 413 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|2,0,0]=4 414 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|2,0,0]=4 416 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [1,1,0,0,0,0|0,0,1]=3 418 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [1,1,0,0,0,0|1,0,1]=4 419 B8R0.16 O=C(O)C=C(CO)CO CNP0103761.0 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|0,0,1]=3 421 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|1,0,1]=4 422 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,1]=4 423 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,1]=4 424 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 425 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,1]=3 426 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,1]=4 427 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [1,1,0,0,0,0|1,0,1]=4 428 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,1]=4 429 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [1,1,0,0,0,0|1,0,1]=4 430 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [1,1,0,0,0,0|0,0,1]=3 431 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [1,1,0,0,0,0|1,0,1]=4 432 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [1,1,0,0,0,0|0,0,2]=4 433 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [1,1,0,0,0,0|1,0,1]=4 434 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [1,1,0,0,0,0|1,0,1]=4 435 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [1,1,0,0,0,0|1,0,1]=4 436 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [1,1,0,0,0,0|2,0,0]=4 437 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [1,1,0,0,0,0|0,0,1]=3 438 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,0]=3 439 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [1,1,0,0,0,0|2,0,0]=4 441 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|2,0,0]=4 442 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [1,1,0,0,0,0|0,0,1]=3 443 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,1,0,0,0,0|2,0,0]=4 444 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,1,0,0,0,0|1,0,0]=3 445 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,0]=3 446 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|0,0,0]=2 447 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,1]=4 448 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,1]=4 449 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,1,0,0,0,0|1,0,1]=4 450 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,1,0,0,0,0|1,0,1]=4 451 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,1,0,0,0,0|1,0,1]=4 452 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,1,0,0,0,0|0,0,2]=4 454 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [1,1,0,0,0,0|1,0,1]=4 455 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|1,0,0]=3 456 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,1,0,0,0,0|0,0,0]=2 457 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [1,1,0,0,0,0|0,0,2]=4 458 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [1,1,0,0,0,0|1,0,1]=4 459 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [1,1,0,0,0,0|1,0,1]=4 460 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,1,0,0,0,0|1,0,1]=4 461 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [1,1,0,0,0,0|1,0,1]=4 462 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [1,1,0,0,0,0|0,0,0]=2 463 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [1,1,0,0,0,0|1,0,1]=4 464 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [1,1,0,0,0,0|0,0,2]=4 465 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [1,1,0,0,0,0|1,0,1]=4 466 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [1,1,0,0,0,0|2,0,0]=4 467 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [1,1,0,0,0,0|1,0,1]=4 468 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [1,1,0,0,0,0|1,0,1]=4 469 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [1,1,0,0,0,0|1,0,1]=4 470 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [1,1,0,0,0,0|1,0,1]=4 472 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [1,1,0,0,0,0|1,0,1]=4 473 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [1,1,0,0,0,0|2,0,0]=4 475 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [1,1,0,0,0,0|2,0,0]=4 476 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [1,1,0,0,0,0|2,0,0]=4 477 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [1,1,0,0,0,0|2,0,0]=4 478 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [1,1,0,0,0,0|2,0,0]=4 479 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [1,1,0,0,0,0|0,0,2]=4 480 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [1,1,0,0,0,0|1,0,1]=4 481 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [1,1,0,0,0,0|1,0,1]=4 482 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [1,1,0,0,0,0|1,0,1]=4 483 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [1,1,0,0,0,0|1,0,1]=4 484 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [1,1,0,0,0,0|1,0,1]=4 485 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [1,1,0,0,0,0|1,0,1]=4 486 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [1,1,0,0,0,0|0,0,2]=4 487 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [1,1,0,0,0,0|0,0,2]=4 488 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [1,1,0,0,0,0|1,0,1]=4 489 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [1,1,0,0,0,0|0,0,2]=4 490 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [1,1,0,0,0,0|1,0,1]=4 491 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [1,1,0,0,0,0|1,0,1]=4 492 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [1,1,0,0,0,0|0,0,2]=4 493 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [1,1,0,0,0,0|0,0,2]=4 494 B10R0.13 CC(=O)OC(=O)[C@H](O)C(C)C CNP0276510.1 [0,1,0,0,0,1|2,0,0]=4 495 B10R0.46 C=C/C(=C\C(=O)[C@@H](C)CC)/C CNP0425329.1 [0,1,0,0,0,1|2,0,0]=4 496 B10R0.144 CCC(CC)C(=O)NC(=O)N CNP0167851.0 [0,1,0,0,0,1|1,0,0]=3 497 B10R0.26 CCOC(C)OC(C)C(=O)O CNP0445078.0 [0,1,0,0,0,1|1,0,1]=4 498 B10R0.93 CC(O)C(C)OC(=O)[C@H](C)O CNP0202173.1 [0,1,0,0,0,1|1,0,1]=4 499 B10R0.93 C[C@@H](CC(=O)C(=O)O)C(=O)O CNP0239723.1 [0,1,0,0,0,1|1,0,1]=4 500 B10R0.93 C[C@H](CC(=O)C(=O)O)C(=O)O CNP0239723.2 [0,1,0,0,0,1|1,0,1]=4 501 B10R0.93 C[C@H](O)C(=O)CC(=O)C(=O)O CNP0161432.1 [0,1,0,0,0,1|1,0,1]=4 502 B10R0.93 C[C@H](O)[C@H](O)CC(=O)C(=O)O CNP0445081.1 [0,1,0,0,0,1|1,0,0]=3 503 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|0,0,2]=4 504 B10R0.104 CCOC(C)(C)[C@H](N)C(=O)O CNP0107313.1 [0,2,0,0,0,0|1,0,1]=4 505 B10R0.38 CCC(CC)[C@@H](N)C(=O)OC CNP0583209.2 [0,2,0,0,0,0|1,0,1]=4 506 B10R0.38 CCC(CC)[C@H](N)C(=O)OC CNP0583209.1 [0,2,0,0,0,0|1,0,1]=4 507 B10R0.76 C=C(C(=O)O)C(CC)C(=O)O CNP0355355.0 [0,2,0,0,0,0|1,0,1]=4 508 B10R0.76 CNC(C(=O)O)C(C)C(C)C CNP0232958.0 [0,2,0,0,0,0|1,0,1]=4 509 B10R0.118 CCC(C)C(C(=O)O)[N+](=O)[O-] CNP0524252.0 [0,2,0,0,0,0|0,0,1]=3 510 B10R0.118 CC[C@H](C)[C@@H](C(=O)O)N(O)O CNP0584229.1 [0,2,0,0,0,0|0,0,2]=4 511 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|1,0,1]=4 512 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,1,0,0|1,1,0]=4 514 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,1]=3 516 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,1,0,0|1,1,0]=4 517 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [1,0,0,1,0,0|1,0,1]=4 520 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,1]=3 522 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,1]=3 524 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|2,0,0]=4 528 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,1,0,0|1,0,1]=4 529 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|1,0,1]=4 530 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,0,0,1,0,0|1,0,0]=3 531 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|0,0,1]=3 533 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [1,0,0,1,0,0|1,0,1]=4 534 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|0,0,1]=3 535 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [1,0,0,1,0,0|1,0,1]=4 536 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|1,0,1]=4 537 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,0,0,1,0,0|1,0,0]=3 538 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,1,0,0|1,0,0]=3 539 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|1,0,1]=4 540 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [1,0,0,1,0,0|2,0,0]=4 541 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|1,0,0]=3 543 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,1]=4 544 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|0,1,1]=4 545 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|1,0,1]=4 546 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|0,0,2]=4 548 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [1,0,0,1,0,0|1,0,1]=4 549 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [1,0,0,1,0,0|1,0,1]=4 550 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|1,0,1]=4 551 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|1,0,0]=3 552 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|1,0,0]=3 553 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|2,0,0]=4 554 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|1,0,1]=4 555 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,1,0,0|0,0,2]=4 556 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|2,0,0]=4 557 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [1,0,0,1,0,0|1,0,1]=4 558 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [1,0,0,1,0,0|1,0,1]=4 559 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [1,0,0,1,0,0|1,0,1]=4 560 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|0,0,1]=3 561 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [1,0,0,1,0,0|1,0,1]=4 562 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [1,0,0,1,0,0|0,0,1]=3 564 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|0,0,0]=2 565 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [1,0,0,1,0,0|1,0,1]=4 566 B10R1.22 C[C@H]1OC(=CC(=O)[C@@H]1O)O CNP0109001.1 [0,0,0,1,0,1|1,0,1]=4 567 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,0,0,1,0,1|0,0,2]=4 568 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,0,0,1,0,1|0,0,2]=4 569 B10R1.475 CCC1(CC(=NC1=O)O)C CNP0175440.0 [0,0,0,1,0,1|1,0,0]=3 570 B10R1.475 CC[C@@]1(CC(=O)NC1=O)C CNP0594000.1 [0,0,0,1,0,1|1,0,0]=3 571 B10R1.475 CC[C@]1(CC(=O)NC1=O)C CNP0594000.2 [0,0,0,1,0,1|1,0,0]=3 572 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,0,0,1,0,1|1,0,1]=4 573 B10R1.113 CN1CCC=C(C1)C(=O)O CNP0266221.0 [0,0,0,1,0,1|2,0,0]=4 574 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,0,0,1,0,1|1,0,1]=4 575 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,0,0,1,0,1|1,0,1]=4 576 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,0,0,1,0,1|2,0,0]=4 577 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,0,0,1,0,1|1,0,0]=3 578 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,0,0,1,0,1|1,0,1]=4 579 B10R1.190 C=C1CC1CC(=O)C(=O)O CNP0149634.0 [0,0,0,1,0,1|0,0,2]=4 580 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CNP0276361.1 [0,1,0,1,0,0|1,0,1]=4 581 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,1,0,1,0,0|1,0,0]=3 582 B10R1.34 CC[C@@H]1CC(=O)C(=C1C)O CNP0372233.1 [0,1,0,1,0,0|1,0,0]=3 583 B10R1.34 CC[C@H]1OC(=C(C1=O)O)C CNP0248221.1 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.34 CC[C@H]1OC(=O)C(=C1C)O CNP0147555.1 [0,1,0,1,0,0|0,0,2]=4 585 B10R1.59 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N CNP0588316.1 [0,1,0,1,0,0|1,0,1]=4 586 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|1,0,0]=3 587 B10R1.278 CC(C1CC1)[C@H](N)C(=O)O CNP0374571.2 [0,1,0,1,0,0|1,0,1]=4 588 B10R1.278 C[C@@H](C1CC1)[C@H](N)C(=O)O CNP0374571.1 [0,1,0,1,0,0|1,0,1]=4 589 B10R1.278 C[C@H](C1CC1)[C@H](N)C(=O)O CNP0374571.3 [0,1,0,1,0,0|1,0,1]=4 590 B10R1.301 CC1=CCCC(C1=O)(C)C CNP0037494.0 [0,1,0,1,0,0|2,0,0]=4 591 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,1,0,1,0,0|1,0,0]=3 592 B10R1.119 C[C@H]1OC=C(C(=O)[C@@H]1O)O CNP0342251.1 [0,1,0,1,0,0|1,0,1]=4 593 B10R1.119 C[C@H]1OCC(=O)[C@@H](C1=O)O CNP0447619.1 [0,1,0,1,0,0|1,0,1]=4 594 B10R1.191 CC1=C(C(=O)[C@@H]([C@H]1C)C)O CNP0291420.1 [0,1,0,1,0,0|1,0,0]=3 595 B10R1.236 CC[C@]1(COC(=O)[C@H]1O)C CNP0168013.1 [0,1,0,1,0,0|0,0,2]=4 596 B10R1.258 CCC1OC=C(C1=O)CO CNP0001520.0 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.256 C[C@@H]1C(=O)O[C@@H]([C@H]1CO)C CNP0104665.1 [0,1,0,1,0,0|1,0,1]=4 598 B10R1.256 C[C@@H]1OC(=O)[C@@H]([C@H]1CO)C CNP0104665.2 [0,1,0,1,0,0|1,0,1]=4 599 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [0,0,0,2,0,0|1,0,1]=4 600 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [0,0,0,2,0,0|1,0,1]=4 601 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,0,0,0,0,1|1,0,0]=3 602 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,0,0,0,0,1|1,0,1]=4 603 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [1,0,0,0,0,1|1,0,0]=3 604 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [1,0,0,0,0,1|0,0,0]=2 605 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,0,0,0,0,1|1,0,1]=4 606 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [1,0,0,0,0,1|1,0,1]=4 607 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [1,0,0,0,0,1|1,0,0]=3 608 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [1,0,0,0,0,1|0,0,0]=2 609 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,0,0,0,0,1|0,0,1]=3 610 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,0,0,0,0,1|1,0,1]=4 611 B10R0.44 CCC(C)CC(=O)C=C(C)C CNP0609623.0 [0,0,0,0,0,2|2,0,0]=4 612 B10R0.44 CC[C@@H](C)SC(=O)C=C(C)C CNP0157491.1 [0,0,0,0,0,2|2,0,0]=4 613 B10R0.57 CC=C(C)C(=O)NCC(=O)O CNP0415761.0 [0,0,0,0,0,2|0,0,2]=4 614 B10R0.57 CCC(C)C(=O)NCC(=O)O CNP0082309.0 [0,0,0,0,0,2|0,0,0]=2 615 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O CNP0571395.1 [0,0,0,0,0,2|2,0,0]=4 616 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O CNP0415788.1 [0,0,0,0,0,2|2,0,0]=4 617 B10R0.82 C=C(C)C(=O)OCC(C)CC CNP0528381.0 [0,0,0,0,0,2|2,0,0]=4 618 B10R0.82 O=C(O)C(=O)CC[C@H](O)CO CNP0119428.1 [0,0,0,0,0,2|2,0,0]=4