0 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,0,0,0,0,0|0,0,0]=0 21 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,0,0,0,0,0|0,0,0]=0 24 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,0,0,0,0,0|1,0,0]=1 32 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,0,0,0,0,0|1,0,0]=1 33 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,0,0,0,0,0|1,0,0]=1 35 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,0,0,0,0,0|1,0,0]=1 37 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,0,0,0,0,0|1,0,0]=1 39 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,0,0,0,0,0|1,0,0]=1 46 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,0,0,0,0,0|1,0,0]=1 49 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,0,0,0,0,0|2,0,0]=2 50 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,0,0,0,0,0|1,0,0]=1 52 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,0,0,0,0,0|1,0,0]=1 53 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,0,0,0,0,0|1,0,0]=1 54 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,0,0,0,0,0|0,0,0]=0 57 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,0,0,0,0|2,1,0]=4 76 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [1,0,0,0,0,0|2,1,0]=4 84 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,0,0,0,0|0,0,0]=1 95 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,0,0,0,0|0,0,1]=2 96 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [1,0,0,0,0,0|0,0,2]=3 101 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,0,0,0,0,0|1,0,1]=3 103 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [1,0,0,0,0,0|0,0,2]=3 107 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [1,0,0,0,0,0|0,0,2]=3 108 B6R0.3 CC(C)C(C)CO CNP0127606.0 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,0,0,0,0,0|0,0,0]=1 110 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,0,0,0,0,0|0,0,0]=1 111 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,0,0,0,0,0|0,0,0]=1 112 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [1,0,0,0,0,0|0,0,1]=2 113 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [1,0,0,0,0,0|0,0,1]=2 116 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,0,0,0,0,0|1,0,2]=4 117 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,0,0,0,0,0|0,0,2]=3 118 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.3 CCC(O)C(C)C CNP0265736.0 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.3 CCC(S)C(C)C CNP0611989.0 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [1,0,0,0,0,0|1,0,2]=4 130 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,0,0,0,0,0|0,0,0]=1 132 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,0,0,0,0,0|1,0,0]=2 138 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,0,0,0,0,0|0,0,0]=1 141 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.3 CSC(C)C(C)C CNP0245218.0 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [1,0,0,0,0,0|1,0,0]=2 155 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [1,0,0,0,0,0|1,0,1]=3 156 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [1,0,0,0,0,0|2,0,0]=3 162 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,0,0,0,0,0|1,0,0]=2 164 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,0,0,0,0,0|1,0,0]=2 166 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,0,0,0,0,0|1,0,0]=2 168 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,0,0,0,0,0|1,0,0]=2 169 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,0,0,0,0,0|1,0,0]=2 170 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,0,0,0,0,0|1,0,0]=2 171 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,0,0,0,0,0|1,0,0]=2 172 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,0,0,0,0,0|1,0,0]=2 173 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,0,0,0,0,0|1,0,0]=2 175 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,0,0,0,0,0|1,0,0]=2 176 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O CNP0244576.1 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,1,0,0,0,0|0,0,1]=2 187 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,1,0,0,0,0|0,0,1]=2 188 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,1,0,0,0,0|0,0,2]=3 191 B8R0.2 C=CC(=C)[C@H](N)C(=O)O CNP0273859.1 [0,1,0,0,0,0|0,0,3]=4 192 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,1,0,0,0,0|0,0,0]=1 195 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,0,0,0,0|0,0,0]=1 198 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,0|1,0,1]=3 200 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,0,0,0,0|0,0,0]=1 201 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,0,0,0,0|0,0,0]=1 203 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,0,0,0,0|0,0,0]=1 208 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,0,0,0,0|1,0,0]=2 209 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,0,0,0,0|0,0,0]=1 210 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,0,0,0,0|1,0,0]=2 211 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,1,0,0,0,0|2,0,0]=3 212 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,1,0,0,0,0|1,0,0]=2 214 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,0,0,0,0|0,0,0]=1 219 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,0,0,0,0|1,0,0]=2 221 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,1,0,0,0,0|0,0,0]=1 224 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,0,0,0,0|0,0,0]=1 225 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO CNP0299919.1 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,1,0,0,0,0|2,0,0]=3 228 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,1,0,0,0,0|1,0,0]=2 235 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,1,0,0,0,0|1,0,0]=2 236 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,1,0,0,0,0|1,0,0]=2 237 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,1,0,0,0,0|2,0,0]=3 241 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CNP0144827.5 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,1,0,0,0,0|0,0,0]=1 244 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,1,0,0,0,0|1,0,0]=2 246 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,1,0,0,0,0|2,0,0]=3 248 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,1,0,0,0,0|0,0,0]=1 249 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,1,0,0,0,0|0,0,0]=1 251 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,1,0,0,0,0|1,0,0]=2 252 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,1,0,0,0,0|1,0,0]=2 253 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [0,1,0,0,0,0|1,0,0]=2 254 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,1,0,0,0,0|0,0,1]=2 255 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,1,0,0,0,0|1,0,0]=2 256 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,1,0,0,0,0|0,0,0]=1 257 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,1,0,0,0,0|1,0,0]=2 258 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,1,0,0,0,0|0,0,0]=1 259 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,1,0,0,0,0|1,0,0]=2 261 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,1,0,0,0,0|0,0,0]=1 262 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,1,0,0,0,0|1,0,0]=2 263 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,1,0,0,0,0|0,0,0]=1 264 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,1,0,0,0,0|0,0,0]=1 265 B8R0.27 CC(C)[C@H](N)P(=O)(O)O CNP0050135.1 [0,1,0,0,0,0|1,0,0]=2 266 B8R0.27 C[C@@H](C(=O)[O-])[N+](C)(C)C CNP0588198.1 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.27 C[C@@H](N)[C@H](O)P(=O)(O)O CNP0334696.1 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.27 C[C@H](N)[C@@H](O)P(=O)(O)O CNP0334696.2 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.27 C[C@H](O)[C@@H](N)P(=O)(O)O CNP0360371.1 [0,1,0,0,0,0|2,0,0]=3 270 B8R0.37 CC(=O)[C@@](C)(O)[C@@H](C)O CNP0563769.1 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.37 CC(=O)[C@](C)(O)C(=O)O CNP0358968.1 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.37 CC(=O)[C@](C)(O)[C@@H](C)O CNP0563769.2 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,1,0,0,0,0|0,0,0]=1 274 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,1,0,0,0,0|0,0,0]=1 275 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,0,0,1,0,0|2,0,1]=4 283 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,1,0,0|1,0,0]=2 289 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,1,0,0|1,1,0]=3 290 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,0,0,1,0,0|2,0,1]=4 292 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,0,0,1,0,0|2,0,1]=4 294 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,0,0,1,0,0|0,0,0]=1 299 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|0,0,0]=1 300 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,0,0,0,0,1|1,0,1]=3 301 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,0,0,0,0,1|1,0,2]=4 302 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,0,0,0,0,1|2,0,1]=4 303 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,0,0,0,0,1|1,0,1]=3 304 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,0,0,0,0,1|1,0,1]=3 305 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,0,0,0,1|2,0,1]=4 306 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,0,0,0,1|2,0,0]=3 307 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,0,0,0,0,1|2,0,1]=4 308 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,0,0,0,0,1|2,0,1]=4 309 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,0,0,0,0,1|1,0,1]=3 310 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,0,0,0,0,1|2,0,0]=3 311 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,0,0,0,0,1|2,0,1]=4 312 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,0,0,0,0,1|2,0,1]=4 313 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,0,0,0,0,1|2,0,1]=4 314 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,0,0,0,0,1|2,0,1]=4 315 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,0,0,0,0,1|2,0,1]=4 316 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,0,0,0,1|1,0,1]=3 317 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,0,0,0,0,1|1,0,0]=2 318 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,0,0,0,0,1|0,0,0]=1 319 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,0,0,0,0,1|1,0,0]=2 320 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,0,0,0,0,1|1,0,0]=2 321 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,0,0,0,0,1|0,0,0]=1 322 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,0,0,0,0,1|1,0,0]=2 323 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,0,0,0,0,1|0,0,0]=1 324 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,0,0,0,0,1|1,0,0]=2 325 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,0,0,0,0,1|1,0,0]=2 326 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,0,0,0,0,1|2,0,1]=4 327 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,0,0,0,0,1|1,0,0]=2 328 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,0,0,0,0,1|1,0,0]=2 329 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,0,0,0,0,1|1,0,0]=2 330 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,0,0,0,0,1|1,0,0]=2 331 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,0,0,0,0,1|1,0,0]=2 332 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,0,0,0,0,1|1,0,0]=2 333 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,0,0,0,0,1|3,0,0]=4 334 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,0,0,0,0,1|2,0,0]=3 335 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,0,0,0,0,1|2,0,0]=3 336 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,0,0,0,0,1|2,0,0]=3 337 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,0,0,0,0,1|2,0,0]=3 338 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,0,0,0,0,1|2,0,0]=3 339 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,0,0,0,0,1|2,0,0]=3 340 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,0,0,0,0,1|2,0,0]=3 341 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,0,0,0,0,1|2,0,0]=3 342 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,0,0,0,0,1|2,0,1]=4 343 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,0,0,0,0,1|2,0,1]=4 344 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,0,0,0,0,1|2,0,1]=4 345 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,0,0,0,0,1|2,0,1]=4 346 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,0,0,0,0,1|2,0,1]=4 347 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,0,0,0,0,1|2,0,1]=4 348 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,0,0,0,0,1|3,0,0]=4 349 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,0,0,0,0,1|3,0,0]=4 350 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,0,0,0,0,1|2,0,1]=4 351 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,0,0,0,0,1|2,0,1]=4 352 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,0,0,0,0,1|2,0,0]=3 353 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,0,0,0,0,1|3,0,0]=4 354 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,0,0,0,0,1|3,0,0]=4 355 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,0,0,0,0,1|3,0,0]=4 356 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,0,0,0,0,1|3,0,0]=4 357 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,0,0,0,0,1|3,0,0]=4 358 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,0,0,0,0,1|3,0,0]=4 359 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,0,0,0,0,1|2,0,1]=4 360 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,0,0,0,0,1|3,0,0]=4 361 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,0,0,0,0,1|3,0,0]=4 362 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 363 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 365 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 366 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|1,0,0]=3 367 B5R0.1 C=CCC(C)O CNP0594112.0 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.1 C=COC(C)C CNP0491165.0 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|0,0,2]=4 370 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|0,0,1]=3 373 B5R0.1 CC(C)C=NO CNP0180575.0 [2,0,0,0,0,0|1,0,1]=4 374 B5R0.1 CC(C)CC#N CNP0003467.0 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,0,0]=2 376 B5R0.1 CC(C)CCN CNP0107663.0 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,0,1]=3 378 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|0,1,1]=4 379 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 CC(C)N=C=O CNP0495487.0 [2,0,0,0,0,0|1,0,1]=4 381 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,2]=4 383 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|1,0,1]=4 384 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 388 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 389 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|1,0,1]=4 390 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 391 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 392 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 394 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 403 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.1 CNCC(C)C CNP0273998.0 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 407 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 410 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,0]=3 412 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|1,0,1]=4 414 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 415 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 417 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|1,0,0]=3 423 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,0]=3 424 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 427 B5R0.3 C=C(C=O)CC CNP0542605.0 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.3 CCC(N)CC CNP0103985.0 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.3 CCC(N)NC CNP0278870.0 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.3 CCC(O)CO CNP0534149.0 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [2,0,0,0,0,0|1,0,0]=3 435 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [2,0,0,0,0,0|1,0,1]=4 436 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.3 CC[C@H](C)CO CNP0185673.2 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.3 NC(CO)CO CNP0535001.0 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [2,0,0,0,0,0|1,0,1]=4 441 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [2,0,0,0,0,0|0,0,2]=4 442 B5R0.5 C=C(O)C(C)C CNP0150035.0 [2,0,0,0,0,0|1,0,1]=4 443 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [2,0,0,0,0,0|0,0,2]=4 444 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [2,0,0,0,0,0|1,0,1]=4 445 B5R0.5 CC(=O)C(C)C CNP0209504.0 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.5 CC(=O)C(C)S CNP0409589.0 [2,0,0,0,0,0|2,0,0]=4 447 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [2,0,0,0,0,0|2,0,0]=4 448 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [2,0,0,0,0,0|2,0,0]=4 449 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.5 CC(C)C(=O)N CNP0226996.0 [2,0,0,0,0,0|0,0,1]=3 451 B5R0.5 CC(C)C(=O)O CNP0197560.0 [2,0,0,0,0,0|1,0,0]=3 452 B5R0.5 CC(C)C(C)C CNP0183010.0 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [2,0,0,0,0,0|0,0,1]=3 454 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [2,0,0,0,0,0|1,0,0]=3 455 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [2,0,0,0,0,0|1,0,1]=4 456 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [2,0,0,0,0,0|1,0,0]=3 457 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [2,0,0,0,0,0|1,0,1]=4 461 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [2,0,0,0,0,0|1,0,1]=4 462 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [2,0,0,0,0,0|1,0,1]=4 463 B5R0.5 CC(O)C(C)S CNP0002511.0 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [2,0,0,0,0,0|0,0,0]=2 465 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [2,0,0,0,0,0|1,0,0]=3 466 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [2,0,0,0,0,0|2,0,0]=4 467 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [2,0,0,0,0,0|0,0,0]=2 468 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [2,0,0,0,0,0|1,0,0]=3 469 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [2,0,0,0,0,0|1,0,1]=4 473 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [2,0,0,0,0,0|1,0,0]=3 474 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [2,0,0,0,0,0|2,0,0]=4 475 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.5 O=C(O)C(I)I CNP0320084.0 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.5 O=C(O)C(O)O CNP0603869.0 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [2,0,0,0,0,0|2,0,0]=4 482 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,1,0,0,0,0|1,0,0]=3 486 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|0,0,0]=2 497 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|0,0,1]=3 499 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|0,0,2]=4 500 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|0,0,0]=2 505 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|1,0,0]=3 508 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|0,0,0]=2 509 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|1,0,0]=3 512 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,1,0,0,0,0|0,0,2]=4 514 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|0,0,0]=2 517 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|1,0,0]=3 518 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|1,0,0]=3 519 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|1,0,0]=3 520 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|1,0,0]=3 521 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|1,0,0]=3 522 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|0,1,0]=3 524 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,0]=3 525 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|1,0,0]=3 526 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,0]=3 527 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|1,0,0]=3 528 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,1,0,0,0,0|1,0,1]=4 530 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|1,0,0]=3 531 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,1,0,0,0,0|1,0,1]=4 532 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|1,0,0]=3 533 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [1,1,0,0,0,0|1,0,0]=3 536 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [1,1,0,0,0,0|0,0,0]=2 540 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.9 CC(C)OP(=O)(O)O CNP0588322.0 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.9 CC(O)CP(=O)(O)O CNP0083683.0 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [1,1,0,0,0,0|1,0,0]=3 544 B7R0.9 C[As+](C)(C)CC(=O)[O-] CNP0085594.0 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.9 C[N+](C)(C)CC(=O)N CNP0509431.0 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.9 C[N+](C)(C)CC(=O)N CNP0510669.0 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [1,1,0,0,0,0|1,0,0]=3 551 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0508048.0 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0513647.0 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,1,0,0,0,0|0,0,1]=3 554 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,1,0,0,0,0|0,0,1]=3 555 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,1,0,0,0,0|0,0,1]=3 560 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,1,0,0,0,0|0,0,1]=3 561 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|1,0,1]=4 564 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|1,0,1]=4 565 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|1,0,0]=3 570 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|0,0,0]=2 571 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|1,0,0]=3 575 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|1,0,0]=3 576 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|0,0,0]=2 577 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|1,0,0]=3 578 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|0,0,0]=2 580 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|0,0,0]=2 581 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|0,0,0]=2 582 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|0,0,0]=2 583 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,0]=3 584 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,0]=3 585 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|0,0,0]=2 586 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,1,0,0,0,0|0,0,1]=3 587 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,1,0,0,0,0|0,0,1]=3 588 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,1,0,0,0,0|1,0,0]=3 589 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|0,0,0]=2 590 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|0,0,0]=2 591 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,1,0,0,0,0|1,0,0]=3 592 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,1,0,0,0,0|0,0,1]=3 593 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|0,0,0]=2 594 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|0,0,0]=2 595 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|0,0,0]=2 596 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,1,0,0,0,0|1,0,0]=3 597 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,1,0,0,0,0|1,0,0]=3 600 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,1,0,0,0,0|0,0,1]=3 601 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|0,0,0]=2 602 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|0,0,0]=2 603 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,1,0,0,0,0|1,0,0]=3 604 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [1,1,0,0,0,0|0,0,0]=2 610 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|1,0,0]=3 611 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [1,1,0,0,0,0|0,0,1]=3 615 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,1,0,0,0,0|2,0,0]=4 616 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,1,0,0,0,0|2,0,0]=4 617 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,1,0,0,0,0|2,0,0]=4 618 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,1,0,0,0,0|1,0,0]=3 619 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,1,0,0,0,0|1,0,0]=3 620 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,1,0,0,0,0|1,0,0]=3 622 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [1,1,0,0,0,0|1,0,0]=3 624 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.13 C=C[C@@](C)(O)C(C)C CNP0249096.1 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [1,1,0,0,0,0|1,0,0]=3 631 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [1,1,0,0,0,0|0,0,0]=2 632 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [1,1,0,0,0,0|1,0,0]=3 634 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [1,1,0,0,0,0|0,0,0]=2 635 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [1,1,0,0,0,0|1,0,0]=3 636 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [1,1,0,0,0,0|1,0,0]=3 638 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [1,1,0,0,0,0|1,0,0]=3 639 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [1,1,0,0,0,0|1,0,1]=4 640 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [1,1,0,0,0,0|0,0,2]=4 641 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [1,1,0,0,0,0|2,0,0]=4 642 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [1,1,0,0,0,0|2,0,0]=4 643 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [1,1,0,0,0,0|1,0,0]=3 645 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [1,1,0,0,0,0|1,0,0]=3 646 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [1,1,0,0,0,0|0,0,0]=2 647 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [1,1,0,0,0,0|1,0,0]=3 648 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [1,1,0,0,0,0|1,0,0]=3 649 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [1,1,0,0,0,0|1,0,0]=3 650 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [1,1,0,0,0,0|1,0,0]=3 651 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [1,1,0,0,0,0|1,0,0]=3 652 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O CNP0326502.2 [0,1,0,0,0,1|1,0,0]=3 655 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O CNP0326502.1 [0,1,0,0,0,1|1,0,0]=3 656 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,1,0,0,0,1|0,0,0]=2 657 B9R0.11 CC(C)[C@@](C)(O)CC(=O)O CNP0235534.2 [0,1,0,0,0,1|1,0,0]=3 658 B9R0.11 CC(C)[C@](C)(O)CC(=O)O CNP0235534.1 [0,1,0,0,0,1|1,0,0]=3 659 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,1,0,0,0,1|0,0,0]=2 660 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,1,0,0,0,1|0,0,0]=2 661 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,0,1|1,0,1]=4 662 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,0,1|1,0,0]=3 663 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,0,1|0,0,0]=2 664 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,0,1|0,0,0]=2 665 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,1,0,0,0,1|2,0,0]=4 666 B9R0.39 CC(C)CC(=NO)C(=O)O CNP0082072.0 [0,1,0,0,0,1|0,0,2]=4 667 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,1,0,0,0,1|1,0,0]=3 668 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,1,0,0,0,1|0,0,0]=2 669 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,1,0,0,0,1|1,0,0]=3 670 B9R0.39 CCC(OC(=O)C)C(C)C CNP0611985.0 [0,1,0,0,0,1|2,0,0]=4 671 B9R0.39 CC[C@@H](CC(=O)O)C(C)C CNP0293988.1 [0,1,0,0,0,1|1,0,0]=3 672 B9R0.39 CC[C@H](CC(=O)O)C(C)C CNP0293988.2 [0,1,0,0,0,1|1,0,0]=3 673 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,1,0,0,0,1|0,0,0]=2 674 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,1,0,0,0,1|0,0,0]=2 675 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)O CNP0328625.1 [0,1,0,0,0,1|2,0,0]=4 676 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,1,0,0,0,1|1,0,1]=4 677 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,1,0,0,0,1|0,0,1]=3 678 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,1,0,0,0,1|0,0,1]=3 679 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,1,0,0,0,1|0,0,1]=3 680 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,1,0,0,0,1|0,0,2]=4 681 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,1,0,0,0,1|0,0,1]=3 682 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,1,0,0,0,1|0,0,1]=3 683 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,1,0,0,0,1|1,0,1]=4 684 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,1,0,0,0,1|1,0,1]=4 685 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,0,0,0,1|0,0,0]=2 686 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,1,0,0,0,1|1,0,0]=3 687 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,0,0,0,1|0,0,0]=2 688 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,1,0,0,0,1|2,0,0]=4 689 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,1,0,0,0,1|2,0,0]=4 690 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,1,0,0,0,1|2,0,0]=4 691 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [0,1,0,0,0,1|1,0,1]=4 692 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,1,0,0,0,1|1,0,1]=4 693 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,1,0,0,0,1|0,0,0]=2 694 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,1,0,0,0,1|1,0,0]=3 695 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,1,0,0,0,1|1,0,0]=3 696 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,1,0,0,0,1|1,0,1]=4 697 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,1,0,0,0,1|1,0,1]=4 698 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,1,0,0,0,1|1,0,0]=3 699 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,1,0,0,0,1|2,0,0]=4 700 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,1,0,0,0,1|0,0,0]=2 701 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,1,0,0,0,1|2,0,0]=4 702 B9R0.57 [2H]C([2H])([2H])C[C@H](N)C(=O)O CNP0243222.2 [0,1,0,0,0,1|2,0,0]=4 703 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,1,0,0,0,1|2,0,0]=4 704 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,1,0,0,0,1|1,0,1]=4 705 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,1,0,0,0,1|2,0,0]=4 706 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,0,0,0,1|1,0,0]=3 707 B9R0.79 CC(C)N(O)C(=O)C(=O)O CNP0493755.0 [0,1,0,0,0,1|1,0,1]=4 708 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,0,0,0,1|0,0,0]=2 709 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,0,0,0,1|0,0,0]=2 710 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,1,0,0,0,1|1,0,0]=3 711 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,1,0,0,0,1|2,0,0]=4 712 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,1,0,0,0,1|1,0,0]=3 713 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,1,0,0,0,1|1,0,0]=3 714 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,1,0,0,0,1|1,0,0]=3 715 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,1,0,0,0,1|1,0,0]=3 716 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,1,0,0,0,1|1,0,0]=3 717 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,1,0,0,0,1|1,0,0]=3 718 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,2,0,0,0,0|0,0,2]=4 719 B9R0.6 CC#C[C@@H](O)[C@H](N)C(=O)O CNP0185088.1 [0,2,0,0,0,0|1,0,0]=3 720 B9R0.6 CC#C[C@H](O)[C@H](N)C(=O)O CNP0185088.2 [0,2,0,0,0,0|1,0,0]=3 721 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,2,0,0,0,0|0,0,0]=2 722 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,2,0,0,0,0|0,0,0]=2 723 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,2,0,0,0,0|1,0,1]=4 724 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,2,0,0,0,0|0,0,0]=2 726 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,2,0,0,0,0|1,0,0]=3 728 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,2,0,0,0,0|1,0,0]=3 729 B9R0.25 CC[C@@H](C)[C@@H](N)P(=O)(O)O CNP0066910.1 [0,2,0,0,0,0|1,0,0]=3 730 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C CNP0530143.1 [0,2,0,0,0,0|1,0,0]=3 731 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C CNP0202809.1 [0,2,0,0,0,0|0,0,0]=2 732 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,2,0,0,0,0|1,0,1]=4 733 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,2,0,0,0,0|0,0,0]=2 735 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,2,0,0,0,0|1,0,0]=3 736 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO CNP0266174.1 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO CNP0266174.4 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO CNP0266174.2 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO CNP0266174.3 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.28 CCN(C)C(C)(C)C(=O)O CNP0593233.0 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.28 C[C@@](O)(C(=O)O)[C@H](O)CO CNP0198726.1 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.28 C[C@](O)(C(=O)O)[C@@H](O)CO CNP0198726.3 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.28 C[C@](O)(C(=O)O)[C@H](O)CO CNP0198726.2 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.29 CCC(C)C(CC)C(=O)N CNP0490151.0 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,2,0,0,0,0|0,0,0]=2 746 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,2,0,0,0,0|0,0,0]=2 747 B9R0.29 CC[C@@H](O)[C@H](NC)C(=O)O CNP0169081.1 [0,2,0,0,0,0|1,0,0]=3 748 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,2,0,0,0,0|0,0,0]=2 749 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,2,0,0,0,0|0,0,0]=2 750 B9R0.29 CN[C@H](C(=O)OC)C(C)C CNP0088244.1 [0,2,0,0,0,0|0,0,0]=2 751 B9R0.32 CC(C)(CO)C(=O)C(=O)O CNP0358941.0 [0,2,0,0,0,0|1,0,1]=4 752 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O CNP0159031.1 [0,2,0,0,0,0|1,0,0]=3 753 B9R0.32 CC(C)(CO)[C@H](N)C(=O)O CNP0161879.1 [0,2,0,0,0,0|0,0,0]=2 754 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O CNP0159031.2 [0,2,0,0,0,0|1,0,0]=3 755 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,2,0,0,0,0|1,0,1]=4 756 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,2,0,0,0,0|1,0,1]=4 757 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O CNP0207481.1 [0,2,0,0,0,0|1,0,0]=3 758 B9R0.32 CC[C@](C)(O)[C@@H](O)C(=O)O CNP0207481.2 [0,2,0,0,0,0|1,0,0]=3 759 B9R0.32 COC(C)(C)[C@H](N)C(=O)O CNP0302352.1 [0,2,0,0,0,0|0,0,0]=2 760 B9R0.41 C/C=C(/CO)\[C@H](N)C(=O)O CNP0139832.2 [0,2,0,0,0,0|0,0,1]=3 761 B9R0.41 C/C=C(\C=O)/[C@H](N)C(=O)O CNP0144091.1 [0,2,0,0,0,0|0,0,2]=4 762 B9R0.41 C/C=C(\CO)/[C@H](N)C(=O)O CNP0139832.1 [0,2,0,0,0,0|0,0,1]=3 763 B9R0.41 CCC(CC)[C@@H](N)C(=O)O CNP0494081.2 [0,2,0,0,0,0|0,0,0]=2 764 B9R0.41 CCC(CC)[C@H](N)C(=O)O CNP0494081.1 [0,2,0,0,0,0|0,0,0]=2 765 B9R0.33 CCCC(C(=O)O)C(C)C CNP0499654.0 [0,2,0,0,0,0|1,0,0]=3 766 B9R0.33 CON=C(C(=O)O)C(C)C CNP0082065.0 [0,2,0,0,0,0|0,0,2]=4 767 B9R0.54 CC(=O)C(C(=O)C)C(C)C CNP0051527.0 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C CNP0604371.2 [0,2,0,0,0,0|0,0,0]=2 769 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C CNP0604371.1 [0,2,0,0,0,0|0,0,0]=2 770 B9R0.76 CC[C@@](O)(C(=O)O)[C@H](C)O CNP0272140.1 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.80 CC(C)(O)C(C)(C)C(=O)O CNP0464078.0 [0,2,0,0,0,0|1,0,0]=3 772 B9R0.80 [2H]C([2H])([2H])[C@]([2H])(N)C(=O)O CNP0313085.3 [0,2,0,0,0,0|2,0,0]=4 773 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|0,0,2]=4 774 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|1,0,1]=4 775 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,0]=3 776 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|2,0,0]=4 777 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|1,0,1]=4 778 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 779 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 780 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|2,0,0]=4 781 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|0,0,0]=2 782 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|2,0,0]=4 783 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|0,0,0]=2 784 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,1,0,0|1,1,0]=4 785 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|2,0,0]=4 786 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|1,0,0]=3 787 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|2,0,0]=4 788 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|1,0,0]=3 789 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|1,0,1]=4 790 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|1,0,1]=4 791 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|2,0,0]=4 792 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|1,0,0]=3 793 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|2,0,0]=4 794 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|1,0,0]=3 795 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|0,0,0]=2 796 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [1,0,0,1,0,0|2,0,0]=4 797 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [1,0,0,1,0,0|2,0,0]=4 798 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|0,0,0]=2 799 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|0,1,0]=3 800 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [1,0,0,1,0,0|2,0,0]=4 801 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 802 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [1,0,0,1,0,0|0,0,0]=2 803 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 804 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|0,0,0]=2 805 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|0,0,0]=2 806 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [1,0,0,1,0,0|0,0,0]=2 807 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,1,0,1|0,0,2]=4 808 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,0,0,1,0,1|1,0,1]=4 809 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,0,0,1,0,1|2,0,0]=4 810 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,0,0,1,0,1|2,0,0]=4 811 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,0,0,1,0,1|2,0,0]=4 812 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,0,0,1,0,1|2,0,0]=4 813 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,1|2,0,0]=4 814 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,1,0,1|2,0,0]=4 815 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,1|1,0,0]=3 816 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,1|0,0,0]=2 817 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,1|0,0,0]=2 818 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,1|1,0,0]=3 819 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,1|0,0,0]=2 820 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,1|0,0,0]=2 821 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,1|2,0,0]=4 822 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,0,0,1,0,1|1,0,0]=3 823 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,1,0,1|1,0,0]=3 824 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,1,0,1|1,0,0]=3 825 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,1,0,1|1,0,0]=3 826 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,1,0,1|1,0,0]=3 827 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,1,0,1|1,0,0]=3 828 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,1|1,0,1]=4 829 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,0,0,1,0,1|2,0,0]=4 830 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,0,0,1,0,1|1,0,0]=3 831 B9R1.38 CC1(OC(=O)N=C1O)C CNP0372072.0 [0,0,0,1,0,1|1,0,1]=4 832 B9R1.38 CC1(OC(=O)NC1=O)C CNP0571707.0 [0,0,0,1,0,1|1,0,1]=4 833 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,0,0,1,0,1|0,0,2]=4 834 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,0,0,1,0,1|0,0,2]=4 835 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,0,0,1,0,1|0,0,2]=4 836 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,0,0,1,0,1|2,0,0]=4 837 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,0,0,1,0,1|2,0,0]=4 838 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,0,0,1,0,1|2,0,0]=4 839 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,0,0,1,0,1|2,0,0]=4 840 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,0,1,0,1|1,0,0]=3 841 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,0,1,0,1|0,0,0]=2 842 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,0,0,1,0,1|1,0,0]=3 843 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,0,0,1,0,1|2,0,0]=4 844 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,1,0,1,0,0|0,0,2]=4 846 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,1,0,0|1,0,1]=4 849 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,1,0,1,0,0|1,0,1]=4 850 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|0,0,0]=2 853 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,1,0,1,0,0|2,0,0]=4 854 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,1,0,1,0,0|2,0,0]=4 855 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,1,0,1,0,0|0,0,1]=3 858 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,1,0,0|1,0,0]=3 859 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,1,0,1,0,0|2,0,0]=4 861 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,1,0,1,0,0|1,0,0]=3 862 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,1,0,1,0,0|1,0,0]=3 867 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,1,0,1,0,0|0,0,0]=2 870 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,1,0,1,0,0|0,0,0]=2 871 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,1,0,1,0,0|0,0,0]=2 872 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,1,0,1,0,0|0,0,0]=2 873 B9R1.96 C/C=C/1\CN[C@@H]1C(=O)O CNP0331255.2 [0,1,0,1,0,0|0,0,1]=3 874 B9R1.96 C/C=C\1/CN[C@@H]1C(=O)O CNP0331255.1 [0,1,0,1,0,0|0,0,1]=3 875 B9R1.111 CC1(CC1)[C@H](N)C(=O)O CNP0197750.1 [0,1,0,1,0,0|0,0,0]=2 876 B9R1.111 N[C@H](C(=O)O)C1(CC1)O CNP0161832.1 [0,1,0,1,0,0|0,0,0]=2 877 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,1,0,0|1,0,0]=3 879 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,1,0,1,0,0|0,0,0]=2 880 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.168 CN(C)C1(CC1)C(=O)O CNP0324541.0 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.165 C[C@@](N)(C(=O)O)C1CC1 CNP0588096.1 [0,1,0,1,0,0|0,0,0]=2 887 B9R1.165 C[C@](N)(C(=O)O)C1CC1 CNP0588096.2 [0,1,0,1,0,0|0,0,0]=2 888 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|0,0,0]=2 889 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,1|0,0,1]=3 890 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,0,0,0,0,1|1,0,1]=4 891 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,0,0,0,0,1|1,0,1]=4 892 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,1|1,0,0]=3 893 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,1|1,0,0]=3 894 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,0,0,0,0,1|1,0,1]=4 895 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,1|1,0,0]=3 896 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,1|1,0,0]=3 897 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,0,0,0,0,1|1,0,1]=4 898 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,0,0,0,1|0,0,1]=3 899 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,1|1,0,0]=3 900 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,1|1,0,0]=3 901 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,1|0,0,0]=2 902 B7R0.6 CC(O)COC(C)C CNP0503370.0 [1,0,0,0,0,1|1,0,1]=4 903 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,1|1,0,0]=3 904 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,1|1,0,0]=3 905 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,0,0,0,0,1|1,0,1]=4 906 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,1|1,0,0]=3 907 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,1|1,0,0]=3 908 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,0,0,0,0,1|1,0,1]=4 909 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,0,0,0,0,1|1,0,1]=4 910 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,0,0,0,0,1|2,0,0]=4 911 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,1|1,0,0]=3 912 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,0,0,0,0,2|1,0,1]=4 913 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,0,0,0,0,2|0,0,2]=4 914 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,0,0,0,0,2|0,0,1]=3 915 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,0,0,0,0,2|1,0,1]=4 916 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,0,0,0,0,2|1,0,1]=4 917 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,0,0,0,0,2|1,0,1]=4 918 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,0,0,0,0,2|1,0,1]=4 919 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,0,0,0,0,2|1,0,1]=4 920 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [0,0,0,0,0,2|1,0,1]=4 921 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,0,0,0,0,2|0,0,0]=2 922 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,0,0,0,0,2|0,0,0]=2 923 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,0,0,0,0,2|1,0,0]=3 924 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,0,0,0,0,2|1,0,0]=3 925 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,0,0,0,0,2|1,0,0]=3 926 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,0,0,0,0,2|1,0,0]=3 927 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,0,0,0,0,2|1,0,0]=3 928 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,0,0,0,0,2|1,0,0]=3 929 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,0,0,0,0,2|1,0,0]=3 930 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,0,0,0,0,2|2,0,0]=4 931 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,0,0,0,0,2|1,0,1]=4 932 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,0,0,0,0,2|1,0,0]=3 933 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,0,0,0,0,2|1,0,0]=3 934 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,0,0,0,0,2|1,0,1]=4 935 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,0,0,0,0,2|1,0,1]=4 936 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,0,0,0,0,2|2,0,0]=4 937 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,0,0,0,0,2|2,0,0]=4 938 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,0,0,0,0,2|2,0,0]=4 939 B9R0.7 C[S@@+]([O-])/C=C/[C@H](N)C(=O)O CNP0576276.1 [0,0,0,0,0,2|2,0,0]=4 940 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,0,0,0,0,2|2,0,0]=4 941 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,0,0,0,0,2|2,0,0]=4 942 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,0,0,0,0,2|2,0,0]=4 943 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,0,0,0,0,2|2,0,0]=4 944 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,0,0,0,0,2|1,0,0]=3 945 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,0,0,0,0,2|1,0,0]=3 946 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,0,0,0,0,2|1,0,0]=3 947 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,0,0,0,0,2|1,0,0]=3 948 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,0,0,0,0,2|2,0,0]=4 949 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,0,0,0,0,2|2,0,0]=4 950 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,0,0,0,0,2|2,0,0]=4 951 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,0,0,0,0,2|0,0,0]=2 952 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,0,0,0,0,2|1,0,0]=3 953 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,0,0,0,0,2|1,0,0]=3