0 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 CC(=CC(=O)Cl)C(=O)Cl CNP0242939.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(=CC(=O)N)C(=O)N CNP0275048.0 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,0,0,0,0,0|0,0,0]=0 16 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.23 CC(NC(=N)N)C(=O)O CNP0082989.0 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.23 CN(CC(=O)O)C(=O)N CNP0548599.0 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.23 C[C@@H](NC(=O)N)C(=O)O CNP0369812.2 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.23 C[C@H](NC(=O)N)C(=O)O CNP0369812.1 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.23 NC(=O)N[C@@H](O)C(=O)O CNP0085588.2 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.23 NC(=O)N[C@H](O)C(=O)O CNP0085588.1 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] CNP0541821.0 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.23 O=C([Na])C[C@@H](O)C(=O)[Na] CNP0467255.1 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.23 O=C([O-])CC([S-])C(=O)[O-] CNP0547285.0 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,0,0,0,0,0|0,0,0]=1 48 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,0,0,0,0|0,0,1]=2 55 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,0,0,0,0|0,0,1]=2 59 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,0,0,0,0|1,0,1]=3 67 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,0,0,0,0|0,0,1]=2 76 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,0,0,0,0,0|0,0,0]=1 88 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,0|1,0,1]=3 89 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [1,0,0,0,0,0|1,0,0]=2 94 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,0|1,0,1]=3 95 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [1,0,0,0,0,0|3,0,0]=4 96 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [1,0,0,0,0,0|1,0,0]=2 97 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.10 C[C@@H](OP(=O)C)C(C)(C)C CNP0590954.1 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.11 CC(=O)NC(C)(C)C(=O)O CNP0548833.0 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.11 CC(=O)OC(C)(C)C(=O)O CNP0299656.0 [0,1,0,0,0,0|1,0,0]=2 108 B9R0.11 CC(C)(CC(=O)O)C(=O)O CNP0354982.0 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.11 C[C@@](O)(CC(=O)O)C(=O)O CNP0272259.2 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,1,0,0,0,0|3,0,0]=4 111 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O CNP0272259.1 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.23 CCC(=O)[C@H](C)NC(=O)C CNP0481788.1 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,1,0,0,0,0|1,0,2]=4 114 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,1,0,0,0,0|1,0,2]=4 115 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,1,0,0,0,0|2,0,0]=3 117 B9R0.23 COC(=O)[C@@H](N)CC(=O)N CNP0041402.1 [0,1,0,0,0,0|3,0,0]=4 118 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.23 COC(=O)[C@H](N)CC(=O)N CNP0041402.2 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [0,1,0,0,0,0|2,0,0]=3 121 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [0,1,0,0,0,0|0,0,0]=1 123 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CNP0157865.1 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CNP0541980.2 [0,1,0,0,0,0|2,0,0]=3 125 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] CNP0541980.3 [0,1,0,0,0,0|2,0,0]=3 126 B9R0.39 CC(=O)N[C@H](CO)C(=O)O CNP0157865.2 [0,1,0,0,0,0|2,0,0]=3 127 B9R0.39 CC(=O)N[C@H](CS)C(=O)O CNP0541980.1 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.39 CCC(OC(=O)C)C(C)C CNP0611985.0 [0,1,0,0,0,0|1,0,1]=3 129 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,1,0,0,0,0|3,0,0]=4 130 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,1,0,0,0,0|3,0,0]=4 131 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,1,0,0,0,0|2,0,0]=3 133 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,1,0,0,0,0|3,0,0]=4 134 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,1,0,0,0,0|1,0,0]=2 135 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,1,0,0,0,0|3,0,0]=4 137 B9R0.42 C[C@@H](NC(=O)CN)C(=O)O CNP0299268.2 [0,1,0,0,0,0|2,0,0]=3 138 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CNP0299268.1 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,1,0,0,0,0|3,0,0]=4 140 B9R0.57 C[C@@H](OP(=O)(O)O)C(=O)O CNP0541755.1 [0,1,0,0,0,0|3,0,0]=4 141 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.79 CC(C(=O)O)C(O)C(=O)O CNP0389403.0 [0,1,0,0,0,0|3,0,0]=4 145 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,1,0,0,0,0|3,0,0]=4 146 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,1,0,0,0,0|3,0,0]=4 147 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,0,0,1,0,0|1,0,2]=4 149 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,0,0,1,0,0|1,0,2]=4 150 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,1,0,0|0,0,0]=1 151 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,0,0,1,0,0|1,0,1]=3 152 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,0,0,1,0,0|1,0,1]=3 153 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,0,0|0,0,2]=3 154 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,0,0|0,0,2]=3 155 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,0,0,1,0,0|1,0,0]=2 158 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,0,0|1,0,0]=2 162 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,1,0,0|2,0,0]=3 163 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.35 O=C1NCC(N1)C(=O)O CNP0324165.0 [0,0,0,1,0,0|3,0,0]=4 165 B9R1.35 O=C1N[C@@H](CS1)C(=O)O CNP0361457.2 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.35 O=C1N[C@H](CS1)C(=O)O CNP0361457.1 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,1,0,0|1,0,1]=3 169 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,0,0,1,0,0|1,0,2]=4 171 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,0,0,1,0,0|1,0,1]=3 172 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [0,0,0,1,0,0|2,0,0]=3 173 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,0,0,1,0,0|1,0,1]=3 174 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,1,0,0|0,0,2]=3 176 B9R1.112 CC(=O)[C@H](C)CC1=CC1 CNP0344604.1 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CNP0465575.1 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CNP0465575.2 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CNP0465575.3 [0,0,0,1,0,0|3,0,0]=4 180 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,0,0,1,0|2,0,1]=4 181 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,0,0,0,1,0|2,0,1]=4 182 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,0,0,0,1,0|2,0,1]=4 183 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,0,0,0,1,0|0,0,0]=1 184 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,0,0,0,1,0|1,0,0]=2 185 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,0,0,0,1,0|2,0,1]=4 186 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,0,0,0,1,0|1,0,0]=2 187 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,0,0,0,1,0|2,0,1]=4 188 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,0,0,0,1,0|2,0,1]=4 189 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,0,0,0,1,0|2,0,1]=4 190 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,0,0,0,1,0|2,0,0]=3 191 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,0,0,0,1,0|2,0,0]=3 192 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,0,0,0,1,0|2,0,0]=3 193 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,0,0,0,1,0|2,0,0]=3 194 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,0,0,0,1,0|3,0,0]=4 195 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,0,0,0,1,0|1,0,2]=4 196 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,0,0,0,1,0|1,0,2]=4 197 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,0,0,0,1,0|1,0,2]=4 198 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,0,0,0,1,0|1,0,2]=4 199 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,0,0,0,1,0|3,0,0]=4 200 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,0,0,0,1,0|3,0,0]=4 201 B9R0.7 C=C(C)C=CC(C)C(=C)C CNP0224725.0 [0,0,0,0,0,1|3,0,0]=4 202 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,0,0,0,0,1|2,0,0]=3 203 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,0,0,0,0,1|3,0,0]=4 204 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,0,0,0,0,1|3,0,0]=4 205 B9R0.7 CC(=O)NN=C(C)C(=O)O CNP0443489.0 [0,0,0,0,0,1|2,0,1]=4 206 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,0,0,0,0,1|1,0,0]=2 207 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,0,0,0,0,1|2,0,0]=3 208 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,0,0,0,0,1|2,1,0]=4 209 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,0,0,0,0,1|2,0,0]=3 210 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,0,0,0,0,1|2,0,0]=3 211 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,0,0,0,0,1|3,0,0]=4 212 B9R0.7 CC(CNC(=O)N)C(=O)O CNP0374758.0 [0,0,0,0,0,1|3,0,0]=4 213 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,0,0,0,0,1|3,0,0]=4 214 B9R0.7 NC(=O)OC[C@@H](N)C(=O)O CNP0393327.1 [0,0,0,0,0,1|3,0,0]=4 215 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,0,0,0,0,1|0,0,1]=2 216 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,0,0,0,0,1|2,0,1]=4 217 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,0,0,0,0,1|0,0,0]=1 218 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,0,0,0,0,1|0,0,0]=1 219 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,0,0,0,0,1|1,0,0]=2 220 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,0,0,0,0,1|1,0,1]=3 221 B9R0.53 CC(=O)SC(C)SC(=O)C CNP0002805.0 [0,0,0,0,0,1|0,1,0]=2 222 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,0,0,0,0,1|3,0,0]=4 223 B9R0.53 C[C@@H](CC(=O)O)O[N+](=O)[O-] CNP0602674.2 [0,0,0,0,0,1|3,0,0]=4 224 B9R0.53 C[C@H](CC(=O)O)O[N+](=O)[O-] CNP0602674.1 [0,0,0,0,0,1|3,0,0]=4 225 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.1 CC=CC(=CC)C CNP0535908.0 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.1 CC=NN(C)C=O CNP0241743.0 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.1 CCC(C)CC=O CNP0531748.0 [2,0,0,0,0,0|1,0,1]=4 229 B6R0.1 CCC(C)NC=O CNP0583042.0 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.1 CCC(C)OC=O CNP0570369.0 [2,0,0,0,0,0|0,0,1]=3 231 B6R0.1 CCC(C)ON=O CNP0521211.0 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|0,0,2]=4 234 B6R0.1 CCOC(C)OC CNP0612171.0 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.1 CSC(C)CC=O CNP0002406.0 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.1 NC(C=O)CC=O CNP0515395.0 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [2,0,0,0,0,0|1,0,1]=4 238 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|1,0,0]=3 243 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [2,0,0,0,0,0|0,0,1]=3 247 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [2,0,0,0,0,0|0,0,0]=2 248 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [2,0,0,0,0,0|0,1,1]=4 249 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [2,0,0,0,0,0|0,1,0]=3 250 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|1,0,1]=4 254 B6R0.4 C=CCOC(=O)C CNP0175648.0 [2,0,0,0,0,0|0,0,1]=3 255 B6R0.4 C=CCSC(=O)C CNP0301401.0 [2,0,0,0,0,0|0,1,1]=4 256 B6R0.4 CC(=CCC=O)C CNP0094675.0 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,0]=3 258 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|0,0,2]=4 261 B6R0.4 CC(C)COC=O CNP0232692.0 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|0,0,1]=3 266 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|0,1,1]=4 267 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|1,0,1]=4 268 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,1,0]=4 271 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.4 O=CNCC(=O)O CNP0082901.0 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [2,0,0,0,0,0|0,0,1]=3 276 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|0,0,1]=3 281 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|0,0,1]=3 286 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [2,0,0,0,0,0|1,0,1]=4 292 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [2,0,0,0,0,0|0,0,0]=2 293 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [2,0,0,0,0,0|0,1,0]=3 294 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [2,0,0,0,0,0|1,0,0]=3 295 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [2,0,0,0,0,0|2,0,0]=4 297 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|0,0,1]=3 299 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|0,0,1]=3 300 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [1,1,0,0,0,0|2,0,0]=4 302 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,1]=4 305 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|0,0,1]=3 307 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|2,0,0]=4 309 B8R0.34 C=CC(C)(C)OC(=O)C CNP0166315.0 [1,1,0,0,0,0|0,0,1]=3 310 B8R0.34 CC(=O)OC(C)(C)C#N CNP0160424.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [1,1,0,0,0,0|0,0,1]=3 312 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [1,1,0,0,0,0|2,0,0]=4 313 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [1,1,0,0,0,0|1,0,1]=4 314 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,1]=4 315 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [1,1,0,0,0,0|1,0,0]=3 319 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [1,1,0,0,0,0|1,0,1]=4 320 B8R0.12 CNCC(C)(C)C(=O)C CNP0433251.0 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [1,1,0,0,0,0|1,0,1]=4 323 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [1,1,0,0,0,0|0,0,2]=4 324 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [1,1,0,0,0,0|0,0,2]=4 325 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,1,0,0,0,0|2,0,0]=4 326 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,1,0,0,0,0|2,0,0]=4 329 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|1,0,0]=3 330 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [1,1,0,0,0,0|0,0,0]=2 332 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [1,1,0,0,0,0|2,0,0]=4 333 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [1,1,0,0,0,0|1,0,0]=3 337 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|2,0,0]=4 338 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,1,0,0,0,0|1,0,0]=3 342 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [1,1,0,0,0,0|2,0,0]=4 343 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [1,1,0,0,0,0|2,0,0]=4 344 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.18 CC(=O)C(C=N)C(=O)C CNP0124346.0 [0,1,0,0,1,0|0,0,1]=3 347 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,1,0,0,1,0|1,0,0]=3 348 B8R0.18 CCC(C(=O)O)C(=O)O CNP0415777.0 [0,1,0,0,1,0|2,0,0]=4 349 B8R0.18 COC(C(=O)O)C(=O)O CNP0332418.0 [0,1,0,0,1,0|2,0,0]=4 350 B8R0.37 CC(=O)[C@@](C)(O)[C@@H](C)O CNP0563769.1 [0,1,0,0,1,0|0,0,2]=4 351 B8R0.37 CC(=O)[C@](C)(O)C(=O)O CNP0358968.1 [0,1,0,0,1,0|1,0,0]=3 352 B8R0.37 CC(=O)[C@](C)(O)[C@@H](C)O CNP0563769.2 [0,1,0,0,1,0|0,0,2]=4 353 B8R0.37 CC(C)(C(=O)O)C(=O)O CNP0082122.0 [0,1,0,0,1,0|2,0,0]=4 354 B8R0.37 CC(O)(C(=O)O)C(=O)O CNP0101764.0 [0,1,0,0,1,0|2,0,0]=4 355 B10R0.57 CCC(=O)C(=COC(=O)C)C CNP0029863.0 [0,1,0,0,0,1|0,0,1]=3 356 B10R0.57 COC(=O)C(=COC(=O)C)C CNP0073278.0 [0,1,0,0,0,1|0,0,1]=3 357 B10R0.82 CC(=O)C(O)CC=C(C)C=O CNP0293417.0 [0,1,0,0,0,1|2,0,0]=4 358 B10R0.84 CC(=O)SC[C@@H](CS)C(=O)O CNP0123477.1 [0,1,0,0,0,1|1,1,0]=4 359 B10R0.84 CC=C(COC(=O)C)C(=O)O CNP0278363.0 [0,1,0,0,0,1|1,0,1]=4 360 B10R0.84 CNC(CCC(=O)C)C(=O)O CNP0217450.0 [0,1,0,0,0,1|2,0,0]=4 361 B10R0.93 C[C@H](O[C@H](C)C(=O)O)C(=O)O CNP0324289.1 [0,1,0,0,0,1|2,0,0]=4 362 B10R0.31 CC(=O)O[C@@H](C)C[N+](C)(C)C CNP0504728.1 [0,1,0,0,0,1|2,0,0]=4 363 B10R0.31 CC(=O)O[C@H](C)C[N+](C)(C)C CNP0504728.2 [0,1,0,0,0,1|2,0,0]=4 364 B10R0.44 COC(=O)C=C(C)NC(=O)C CNP0034645.0 [0,1,0,0,0,1|1,0,1]=4 365 B10R0.44 C[C@H](CC(=O)O)OC(=O)CO CNP0592868.1 [0,1,0,0,0,1|1,0,0]=3 366 B10R0.47 COC(=O)CC(C)(O)C(=O)O CNP0132796.0 [0,2,0,0,0,0|2,0,0]=4 367 B10R0.47 COC(=O)C[C@@](C)(O)C(=O)O CNP0132796.1 [0,2,0,0,0,0|2,0,0]=4 368 B10R0.141 COC(=O)C(C)(O)CC(=O)O CNP0132793.0 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.141 COC(=O)[C@](C)(O)CC(=O)O CNP0132793.1 [0,2,0,0,0,0|2,0,0]=4 370 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,2,0,0,0,0|0,0,0]=2 371 B10R0.46 CCC(=O)OC(C)C(=O)SC CNP0347510.0 [0,2,0,0,0,0|0,0,0]=2 372 B10R0.46 COC(=O)C=C(C)C(=O)OC CNP0198897.0 [0,2,0,0,0,0|1,0,1]=4 373 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CNP0140271.1 [0,2,0,0,0,0|2,0,0]=4 374 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CNP0177660.1 [0,2,0,0,0,0|2,0,0]=4 375 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CNP0140271.2 [0,2,0,0,0,0|2,0,0]=4 376 B10R0.54 COC(=O)[C@H](CC(=O)C)OC CNP0311272.1 [0,2,0,0,0,0|1,0,0]=3 377 B10R0.54 COC(=O)[C@H](CS)NC(=O)C CNP0043557.1 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.23 C#CC[C@@H](NC(=O)C)C(=O)O CNP0554442.1 [0,2,0,0,0,0|2,0,0]=4 379 B10R0.23 C#CC[C@H](NC(=O)C)C(=O)O CNP0554442.2 [0,2,0,0,0,0|2,0,0]=4 380 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O CNP0559983.1 [0,2,0,0,0,0|2,0,0]=4 381 B10R0.53 NCC(=O)NC(CS)C(=O)O CNP0553320.0 [0,2,0,0,0,0|2,0,0]=4 382 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O CNP0381639.1 [0,2,0,0,0,0|2,0,0]=4 383 B10R0.53 NCC(=O)N[C@H](CO)C(=O)O CNP0381639.2 [0,2,0,0,0,0|2,0,0]=4 384 B10R0.162 CC(=O)NC(C(=O)O)C(C)C CNP0083277.0 [0,2,0,0,0,0|2,0,0]=4 385 B10R0.162 CC(=O)OC(C(=O)O)C(=O)O CNP0253612.0 [0,2,0,0,0,0|1,0,1]=4 386 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,2,0,0,0,0|0,0,0]=2 387 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.26 C[C@@H](NC(=O)CCS)C(=O)O CNP0496642.1 [0,2,0,0,0,0|2,0,0]=4 389 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|0,0,1]=3 390 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|0,0,1]=3 391 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,1,0,0|1,0,1]=4 393 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,1,0,0|1,0,1]=4 394 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,1,0,0|0,0,2]=4 395 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,1,0,0|0,0,2]=4 396 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [1,0,0,1,0,0|1,0,1]=4 397 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|1,0,1]=4 398 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|1,0,1]=4 399 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,1]=4 400 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,1]=3 401 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,1]=4 402 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,1]=3 403 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [1,0,0,1,0,0|1,0,1]=4 404 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,1,0,0|1,0,1]=4 405 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [1,0,0,1,0,0|1,0,1]=4 406 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [1,0,0,1,0,0|1,0,1]=4 407 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,0,0,1,0,0|1,0,1]=4 409 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,0,0,1,0,0|1,0,1]=4 410 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,0,0,1,0,0|0,0,1]=3 411 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [1,0,0,1,0,0|2,0,0]=4 412 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [1,0,0,1,0,0|0,0,2]=4 413 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,0,0,1,0,0|0,0,1]=3 414 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [1,0,0,1,0,0|0,0,2]=4 416 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|0,0,0]=2 417 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|1,0,1]=4 418 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [1,0,0,1,0,0|0,0,1]=3 419 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,1]=4 420 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,1,0,0|1,1,0]=4 421 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|2,0,0]=4 423 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,1]=4 425 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|1,0,1]=4 427 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [1,0,0,1,0,0|1,0,1]=4 428 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [1,0,0,1,0,0|0,0,2]=4 429 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [1,0,0,1,0,0|1,0,0]=3 430 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|0,0,0]=2 431 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,1,1,0|1,0,1]=4 433 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,0,0,1,1,0|0,0,0]=2 434 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,0,1,1,0|0,0,2]=4 435 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [0,0,0,1,1,0|2,0,0]=4 436 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,0,0,1,1,0|2,0,0]=4 437 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,0,0,1,0,1|2,0,0]=4 438 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,0,0,1,0,1|2,0,0]=4 439 B10R1.13 CC(=O)C1=CNC(=O)CC1 CNP0234990.0 [0,0,0,1,0,1|1,0,1]=4 440 B10R1.13 CC(=O)N1CCC(=O)CC1 CNP0046291.0 [0,0,0,1,0,1|2,0,0]=4 441 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,0,0,1,0,1|2,0,0]=4 442 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,0,0,1,0,1|2,0,0]=4 443 B10R1.58 CC(=O)N1C[C@@H](C(=N1)C)C CNP0447706.1 [0,0,0,1,0,1|2,0,0]=4 444 B10R1.58 CC(=O)N1C[C@H](C(=N1)C)C CNP0447706.2 [0,0,0,1,0,1|2,0,0]=4 445 B10R1.470 O=C1C[C@](CO1)(O)C(=O)O CNP0159921.1 [0,0,0,1,0,1|2,0,0]=4 446 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,0,0,1,0,1|0,0,2]=4 447 B10R1.54 CC(=O)O[C@H]1CNC(=O)C1 CNP0109144.1 [0,0,0,1,0,1|1,0,0]=3 448 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [0,0,0,1,0,1|2,0,0]=4 449 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,0,0,1,0,1|1,0,0]=3 450 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,0,0,1,0,1|1,0,1]=4 451 B10R1.59 CC(=O)N1N=C(C[C@@H]1C)C CNP0180928.2 [0,0,0,1,0,1|2,0,0]=4 452 B10R1.59 CC(=O)N1N=C(C[C@H]1C)C CNP0180928.1 [0,0,0,1,0,1|2,0,0]=4 453 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,0,0,1,0,1|2,0,0]=4 454 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [0,1,0,1,0,0|0,0,0]=2 455 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,1,0,1,0,0|1,0,1]=4 456 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,1,0,1,0,0|1,0,1]=4 458 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,1,0,1,0,0|1,0,0]=3 459 B10R1.64 CC(=O)NC1SCCC1=O CNP0498587.0 [0,1,0,1,0,0|1,0,0]=3 460 B10R1.64 CC(=O)N[C@@H]1CCSC1=O CNP0583672.2 [0,1,0,1,0,0|1,0,0]=3 461 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,1,0,1,0,0|1,0,0]=3 462 B10R1.64 CC(=O)N[C@H]1CCSC1=O CNP0583672.1 [0,1,0,1,0,0|1,0,0]=3 463 B10R1.194 C=C1C(=O)CC[C@@H]1C(=O)O CNP0129615.1 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.194 C=C1C(=O)CC[C@H]1C(=O)O CNP0129615.2 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@H]1C CNP0176461.1 [0,1,0,1,0,0|1,0,0]=3 466 B10R1.194 CC1C(=O)CC[C@H]1C(=O)O CNP0156871.3 [0,1,0,1,0,0|2,0,0]=4 467 B10R1.194 C[C@@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.2 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.194 C[C@@H]1C(=O)CC[C@H]1C(=O)O CNP0156871.1 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.194 C[C@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.4 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.194 C[C@H]1C(=O)OC[C@@H]1C(=O)O CNP0122387.1 [0,1,0,1,0,0|2,0,0]=4 471 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,1,0,1,0,0|2,0,0]=4 472 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,1,0,1,0,0|2,0,0]=4 473 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,1,0,1,0,0|2,0,0]=4 474 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,1,0,1,0,0|2,0,0]=4 475 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,1,0,1,0,0|2,0,0]=4 476 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,1,0,0|1,0,1]=4 477 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|1,0,1]=4 478 B10R1.118 C[C@@H]1NC(=O)[C@@H](NC1=O)C CNP0321267.2 [0,1,0,1,0,0|2,0,0]=4 479 B10R1.118 C[C@@H]1NC(=O)[C@H](NC1=O)C CNP0321267.1 [0,1,0,1,0,0|2,0,0]=4 480 B10R1.118 C[C@@H]1O[C@H]([C@H](CC1=O)O)O CNP0321128.2 [0,1,0,1,0,0|0,0,2]=4 481 B10R1.118 C[C@H]1NC(=O)[C@H](NC1=O)C CNP0321267.3 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.118 C[C@H]1O[C@@H]([C@@H](CC1=O)O)O CNP0321128.1 [0,1,0,1,0,0|0,0,2]=4 483 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,0,0,0,0,1|2,0,0]=4 484 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [1,0,0,0,0,1|1,0,0]=3 485 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,0,0,0,0,1|2,0,0]=4 486 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,0,0,0,0,1|1,0,0]=3 487 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [1,0,0,0,0,1|2,0,0]=4 488 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,0,0,0,0,1|0,0,0]=2 489 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [1,0,0,0,0,1|2,0,0]=4 490 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [1,0,0,0,0,1|1,0,0]=3 491 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,0,0,0,0,1|1,0,1]=4 492 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,0,0,0,0,1|0,1,1]=4 493 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [1,0,0,0,0,1|1,0,1]=4 494 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [1,0,0,0,0,1|1,1,0]=4 495 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [1,0,0,0,0,1|2,0,0]=4 496 B10R0.96 CC(=O)OCC(=CC(=O)O)C CNP0172632.0 [0,0,0,0,0,2|1,0,1]=4 497 B10R0.96 CC(=O)OCC(C)OC(=O)C CNP0403199.0 [0,0,0,0,0,2|0,0,0]=2 498 B10R0.98 CC(=O)OCC=C(C)C(=O)O CNP0107053.0 [0,0,0,0,0,2|1,0,1]=4 499 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,0,0,0,0,2|2,0,0]=4