0 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,0,0,0,0,0|2,1,1]=4 23 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,0,0,0,0|2,1,1]=4 28 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,0,0,0,0,0|1,0,2]=3 35 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,0,0,0,0,0|1,0,2]=3 41 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,0,0,0,0,0|2,0,0]=2 48 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,0,0,0,0,0|1,0,3]=4 52 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,0,0,0,0,0|1,0,1]=2 54 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,0,0,0,0,0|1,0,3]=4 56 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,0,0,0,0,0|1,0,3]=4 58 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,0,0,0,0,0|1,0,1]=2 60 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,0,0,0,0,0|1,0,3]=4 62 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,0,0,0,0,0|2,1,1]=4 63 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,0,0,0,0,0|1,0,2]=3 64 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,0,0,0,0,0|1,0,2]=3 66 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,0,0,0,0,0|1,0,3]=4 68 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,0,0,0,0,0|1,0,1]=2 69 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,0,0,0,0,0|1,1,1]=3 70 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,0,0,0,0,0|1,1,1]=3 71 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,0,0,0,0,0|1,1,1]=3 72 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,0,0,0,0,0|1,1,1]=3 73 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,0,0,0,0,0|2,0,1]=3 74 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,0,0,0,0,0|1,0,1]=2 75 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,0,0,0,0,0|1,1,1]=3 76 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,0,0,0,0,0|1,1,1]=3 77 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,0,0,0,0,0|2,0,1]=3 85 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,0,0,0,0,0|2,0,1]=3 86 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,0,0,0,0,0|2,0,1]=3 87 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,0,0,0,0,0|0,0,2]=2 88 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,0,0,0,0,0|0,0,0]=0 89 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,0,0,0,0,0|0,1,0]=1 90 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,0,0,0,0,0|1,0,2]=3 91 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,0,0,0,0,0|0,0,2]=2 92 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,0,0,0,0,0|0,1,2]=3 93 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,0,0,0,0,0|1,0,2]=3 94 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,0,0,0,0,0|0,0,2]=2 95 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,0,0,0,0,0|0,1,1]=2 96 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,0,0,0,0,0|0,0,2]=2 97 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,0,0,0,0,0|0,0,4]=4 98 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|2,1,0]=4 106 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,1,1]=4 109 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|2,1,0]=4 110 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|1,1,1]=4 115 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|2,0,0]=3 125 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|1,0,1]=3 138 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|1,0,0]=2 147 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|0,0,1]=2 148 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|0,1,1]=3 149 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|0,0,3]=4 151 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.3 CC(=NO)CO CNP0284253.0 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,0,0,0,0|1,0,2]=4 159 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|2,1,0]=4 163 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|1,0,0]=2 164 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|3,0,0]=4 167 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|3,0,0]=4 169 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.3 NC(CO)CO CNP0535001.0 [1,0,0,0,0,0|1,0,2]=4 174 B5R0.3 NCC(=O)NO CNP0470573.0 [1,0,0,0,0,0|2,0,0]=3 175 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,0,0,0,0|1,0,1]=3 181 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|0,0,1]=2 182 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,0,0,0,0|0,0,2]=3 183 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,0,0,0,0|0,0,2]=3 184 B5R0.3 OCC(O)CO CNP0259986.0 [1,0,0,0,0,0|0,0,3]=4 185 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,0,0,0,0|1,0,2]=4 186 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,0,0,0,0|1,0,0]=2 191 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,0,0,0,0,0|1,0,1]=3 196 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,0,0,0,0,0|1,0,1]=3 198 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,0,0,0,0,0|1,0,0]=2 199 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,0,0,0,0|3,0,0]=4 201 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,0,0,0,0|1,0,0]=2 203 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,0,0,0,0|1,0,0]=2 204 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,0,0,0,0,0|1,0,0]=2 205 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,0,0,0,0,0|0,0,0]=1 206 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,0,0,0,0|1,1,1]=4 209 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,0,0,0,0,0|0,0,2]=3 210 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,0,0,0,0|1,0,1]=3 212 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,0,0,0,0|1,0,1]=3 213 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,0,0|1,0,1]=3 216 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,0,0,0,0,0|0,0,3]=4 217 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,0,0,0,0,0|0,0,3]=4 218 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,0,0,0,0,0|0,0,3]=4 219 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,0,0,0,0,0|0,0,3]=4 220 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,0,0,0,0,0|0,0,3]=4 221 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,0,0,0,0|1,0,1]=3 222 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,0,0,0,0|0,0,2]=3 223 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,0,0,0,0|1,0,1]=3 224 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,0,0,0,0|0,0,2]=3 225 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,0,0|0,1,1]=3 226 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,0,0,0,0,0|1,0,0]=2 228 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,0,0,0,0,0|1,0,1]=3 229 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,0,0,0,0,0|0,0,0]=1 231 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,0,0,0,0,0|0,0,2]=3 235 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [1,0,0,0,0,0|2,0,0]=3 240 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,0,0,0,0,0|0,0,0]=1 241 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|1,0,0]=2 246 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,1,0,0,0,0|1,0,1]=3 249 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,1,0,0,0,0|1,0,2]=4 250 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,1,0,0,0,0|1,0,0]=2 254 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,0,0,0,0|1,0,1]=3 256 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|1,0,0]=2 260 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,1,0,0,0,0|1,1,1]=4 274 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,1,0,0,0,0|1,1,1]=4 275 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,1,0,0,0,0|1,1,1]=4 278 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,1,0,0,0,0|1,0,2]=4 281 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,1,0,0,0,0|1,0,1]=3 284 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|1,0,1]=3 286 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,1,0,0,0,0|1,1,1]=4 287 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,1,0,0,0,0|1,1,1]=4 288 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,1,0,0,0,0|1,1,1]=4 290 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,1,0,0,0,0|1,1,1]=4 291 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|1,0,1]=3 294 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,1,0,0,0,0|1,1,1]=4 295 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,1,0,0,0,0|1,1,1]=4 296 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|0,0,0]=1 297 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|0,0,2]=3 298 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,1,0,0,0,0|0,0,1]=2 299 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.10 C=C(CO)[C@H](O)C#N CNP0207972.1 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.10 CC(=NO)C(=NO)C CNP0126463.0 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|3,0,0]=4 307 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|2,0,0]=3 308 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,0,0,0,0|3,0,0]=4 312 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|2,0,0]=3 316 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|1,0,1]=3 317 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|1,0,1]=3 318 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,0,0,0,0|1,1,1]=4 319 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|0,0,2]=3 320 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,0,0,0,0|1,1,1]=4 321 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|0,0,2]=3 322 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,1,0,0,0,0|2,0,1]=4 323 B7R0.10 NC(=NO)C(=NO)N CNP0293434.0 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,1,0,0,0,0|3,0,0]=4 326 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,1,0,0,0,0|3,0,0]=4 328 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,1,0,0,0,0|0,0,2]=3 330 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,1,0,0,0,0|0,0,2]=3 331 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,1,0,0,0,0|0,0,3]=4 332 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,1,0,0,0,0|0,0,2]=3 334 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,1,0,0,0,0|1,0,2]=4 337 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,1,0,0,0,0|1,0,2]=4 339 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,1,0,0,0,0|1,0,1]=3 340 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,1,0,0,0,0|1,0,1]=3 341 B7R0.14 O=C(CCl)P(=O)(O)O CNP0343694.0 [0,1,0,0,0,0|2,0,0]=3 342 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,1,0,0,0,0|1,0,0]=2 343 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,1,0,0,0,0|1,0,1]=3 346 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,1,0,0,0,0|1,0,1]=3 349 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,1,0,0,0,0|1,0,1]=3 351 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,1,0,0,0,0|1,0,1]=3 352 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,1,0,0,0,0|2,0,0]=3 353 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,1,0,0,0,0|0,2,1]=4 355 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,0,0|1,0,0]=2 356 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,0,0|1,0,0]=2 357 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,0,0|1,0,2]=4 361 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,0,0|1,0,2]=4 363 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,0|2,0,0]=3 364 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|1,0,0]=2 365 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,0,0|1,0,2]=4 368 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,0,0|1,0,2]=4 370 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,1,0,0,0,0|1,0,2]=4 371 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,0|2,0,0]=3 372 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|0,0,0]=1 377 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,0,0|1,0,1]=3 378 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,0,0|1,0,1]=3 379 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,0,0|1,0,1]=3 380 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,0,0|0,0,2]=3 381 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,0,0|1,0,1]=3 382 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,0,0|0,0,2]=3 383 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,0,0|1,1,1]=4 384 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,0,0|1,1,1]=4 385 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,0,0|1,0,1]=3 388 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,0,0|1,0,1]=3 391 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,0,0|1,0,1]=3 392 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,0,0|1,0,1]=3 393 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,0,0|1,0,1]=3 395 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,0,0|1,1,1]=4 396 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,0,0|1,1,1]=4 397 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.16 O=C(O)C(=C(Br)Br)Br CNP0296923.0 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.16 O=C(O)C(=C(Br)Br)I CNP0355639.0 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.16 O=C(O)C(=C(Br)I)Br CNP0305118.0 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,0,0|0,0,1]=2 402 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,0,0|0,0,3]=4 403 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,0,0|2,0,1]=4 404 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|2,0,0]=3 405 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,0,0,1,0,0|2,0,1]=4 406 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|2,1,0]=4 407 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|3,0,0]=4 408 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|2,0,1]=4 409 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|2,0,1]=4 410 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|2,0,1]=4 411 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|2,0,1]=4 412 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|2,0,1]=4 413 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|2,0,1]=4 414 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|2,0,1]=4 415 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,0,0,1,0,0|2,0,1]=4 416 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,1,0,0|2,0,1]=4 417 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|2,0,1]=4 418 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,1,0,0|2,0,1]=4 419 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,1,0,0|2,0,0]=3 420 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|2,0,0]=3 421 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|2,0,0]=3 422 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|1,1,1]=4 423 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,1,0,0|1,0,2]=4 424 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|2,0,1]=4 425 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,1,0,0|1,0,1]=3 426 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,0,0,1,0,0|2,0,1]=4 427 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,0,1,0,0|2,0,1]=4 428 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,0,1,0,0|2,0,1]=4 429 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,0,0,1,0,0|2,0,1]=4 430 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,0,0,0,0,1|3,0,0]=4 431 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,0,0,0,0,1|1,0,1]=3 432 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,0,0,0,0,1|2,0,1]=4 433 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,0,0,0,1|3,0,0]=4 434 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,0,0,0,1|2,0,0]=3 435 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,0,0,0,1|3,0,0]=4 436 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,0,0,0,1|1,0,0]=2 437 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,0,0,0,1|2,0,0]=3 438 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,0,0,0,0,1|2,0,1]=4 439 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,0,0,0,0,1|2,0,1]=4 440 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,0,0,0,0,1|1,0,2]=4 441 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,0,0,0,0,1|3,0,0]=4 442 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,0,0,0,0,1|2,0,0]=3 443 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,0,0,0,1|3,0,0]=4 444 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,0,0,0,0,1|2,0,0]=3 445 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,0,0,0,0,1|3,0,0]=4 446 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,0,0,0,0,1|2,0,1]=4 447 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,0,0,0,0,1|1,0,2]=4 448 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,0,0,0,0,1|2,0,1]=4 449 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,0,0,0,0,1|1,0,2]=4 450 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,0,0,0,0,1|1,1,1]=4 451 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,0,0,0,0,1|1,0,1]=3 452 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,0,0,0,0,1|3,0,0]=4 453 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,0,0,0,0,1|1,0,0]=2 454 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,0,0,0,0,1|0,0,2]=3 455 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 456 B4R0.1 C=C(Br)CO CNP0506207.0 [2,0,0,0,0,0|1,0,0]=3 457 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|1,0,0]=3 458 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|1,0,0]=3 460 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|1,0,0]=3 461 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|1,0,0]=3 463 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,1]=4 464 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,1]=4 465 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,1]=3 466 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|0,0,2]=4 467 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|2,0,0]=4 468 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|0,0,0]=2 470 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 471 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|0,0,1]=3 474 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|0,1,1]=4 475 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 476 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 477 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|1,0,0]=3 478 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,0]=3 479 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|2,0,0]=4 480 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|1,0,1]=4 481 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|1,0,1]=4 482 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|2,0,0]=4 484 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|1,0,1]=4 486 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,1]=4 487 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,1]=4 488 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,1]=4 489 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,1]=3 490 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,2]=4 491 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,2]=4 492 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,2]=4 493 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|2,0,0]=4 496 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 497 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 498 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|2,0,0]=4 499 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 500 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|2,0,0]=4 501 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|0,0,2]=4 502 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|1,0,1]=4 503 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|0,0,2]=4 504 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|1,0,1]=4 505 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|1,0,1]=4 506 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,0]=3 507 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 508 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 509 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.1 NC(=O)NO CNP0593192.0 [2,0,0,0,0,0|2,0,0]=4 511 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 512 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|1,0,1]=4 514 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 515 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 516 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,0]=3 517 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,0]=3 518 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|0,0,0]=2 520 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|0,1,0]=3 521 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|0,0,0]=2 522 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|2,0,0]=4 523 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 524 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|1,0,1]=4 525 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|2,0,0]=4 526 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,1,0]=4 528 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|2,0,0]=4 529 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|2,0,0]=4 530 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|2,0,0]=4 531 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|1,0,1]=4 532 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|2,0,0]=4 533 B4R0.2 ClC=CCCl CNP0530301.0 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,1]=4 535 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|1,0,1]=4 536 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|0,0,1]=3 537 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|1,0,0]=3 538 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|0,0,2]=4 539 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.1 CC(=CCO)CO CNP0277047.0 [1,1,0,0,0,0|1,0,0]=3 541 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,1,0,0,0,0|1,0,0]=3 550 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,1,0,0,0,0|0,0,2]=4 551 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,1,0,0,0,0|0,0,2]=4 552 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|0,0,1]=3 554 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,1]=4 556 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|0,0,1]=3 560 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|0,0,1]=3 562 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,1,0,0,0,0|0,0,2]=4 567 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|2,0,0]=4 570 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|1,0,0]=3 575 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|0,1,1]=4 583 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|0,1,1]=4 584 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|1,0,1]=4 587 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|0,0,0]=2 588 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|0,0,1]=3 589 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|0,0,2]=4 590 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|0,0,2]=4 591 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|2,0,0]=4 595 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.9 OCC(=NO)CO CNP0288617.0 [1,1,0,0,0,0|0,0,2]=4 597 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [1,1,0,0,0,0|0,0,2]=4 601 B6R0.7 O=C(O)P(=O)(O)O CNP0366447.0 [1,1,0,0,0,0|1,0,0]=3 602 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,1,0,0,0,1|0,0,2]=4 603 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,1,0,0,0,1|2,0,0]=4 604 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,1,0,0,0,1|1,0,0]=3 605 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,0,0,0,1|2,0,0]=4 606 B8R0.2 CNC(=O)N(O)C(=O)O CNP0326331.0 [0,1,0,0,0,1|2,0,0]=4 607 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,0,0,0,1|1,0,1]=4 608 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,1,0,0,0,1|1,0,0]=3 609 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,1,0,0,0,1|0,0,2]=4 610 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,1,0,0,0,1|0,0,2]=4 611 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,1,0,0,0,1|0,0,2]=4 612 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,1,0,0,0,1|0,0,2]=4 613 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,1|0,0,2]=4 614 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,1,0,0,0,1|0,0,2]=4 615 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,1,0,0,0,1|0,0,2]=4 616 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,1,0,0,0,1|0,0,2]=4 617 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,1,0,0,0,1|0,0,2]=4 618 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,1|1,0,0]=3 619 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,0,0,0,1|2,0,0]=4 620 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,0,0,0,1|2,0,0]=4 621 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,1|1,0,0]=3 622 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,1|2,0,0]=4 623 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,0,0,0,1|2,0,0]=4 624 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,1|1,0,0]=3 625 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,1,0,0,0,1|2,0,0]=4 626 B8R0.16 O=C(O)C=C(CO)CO CNP0103761.0 [0,1,0,0,0,1|0,0,1]=3 627 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,0,0,0,1|2,0,0]=4 628 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,1,0,0,0,1|2,0,0]=4 629 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,1,0,0,0,1|2,0,0]=4 630 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,1,0,0,0,1|2,0,0]=4 631 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,1,0,0,0,1|2,0,0]=4 632 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,1,0,0,0,1|0,0,2]=4 633 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [0,1,0,0,0,1|1,0,1]=4 634 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,1|2,0,0]=4 635 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,1,0,0,0,1|1,0,1]=4 636 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,1|2,0,0]=4 637 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,1|1,0,1]=4 638 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,0,0,0,1|2,0,0]=4 639 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,0,1|1,0,1]=4 640 B8R0.23 CN(O)C(=O)NC(=O)O CNP0303620.0 [0,1,0,0,0,1|1,0,0]=3 641 B8R0.23 N=C(CC(=O)O)C(=O)O CNP0417649.0 [0,1,0,0,0,1|1,0,1]=4 642 B8R0.23 NC(=O)NC(=O)C(=O)O CNP0197878.0 [0,1,0,0,0,1|1,0,1]=4 643 B8R0.23 O=C(O)C(=O)CS(=O)O CNP0083680.0 [0,1,0,0,0,1|1,0,1]=4 644 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [0,1,0,0,0,1|0,0,2]=4 645 B8R0.23 O=C(O)CC(=O)C(=O)O CNP0390338.0 [0,1,0,0,0,1|0,0,1]=3 646 B8R0.24 CCC(=O)OP(=O)(O)O CNP0265656.0 [0,1,0,0,0,1|2,0,0]=4 647 B8R0.24 O=C(CP(=O)(O)O)NO CNP0559645.0 [0,1,0,0,0,1|2,0,0]=4 648 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|2,0,0]=4 651 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|1,0,0]=3 652 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|1,0,1]=4 653 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|1,0,1]=4 654 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|1,0,1]=4 655 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|1,0,1]=4 656 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,2,0,0,0,0|2,0,0]=4 657 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,2,0,0,0,0|1,0,0]=3 658 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|2,0,0]=4 659 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,1,0]=4 662 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|0,1,0]=3 663 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|1,0,1]=4 664 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|1,0,0]=3 665 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,2,0,0,0,0|1,0,1]=4 667 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,2,0,0,0,0|1,0,1]=4 668 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,2,0,0,0,0|1,0,1]=4 669 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [0,2,0,0,0,0|1,0,1]=4 670 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [0,2,0,0,0,0|1,0,1]=4 672 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [0,2,0,0,0,0|1,0,1]=4 673 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [0,2,0,0,0,0|0,0,2]=4 674 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,2,0,0,0,0|1,0,1]=4 676 B8R0.36 NC(CO)(CO)C(=O)O CNP0232926.0 [0,2,0,0,0,0|0,0,2]=4 677 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,2,0,0,0,0|0,0,2]=4 679 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,2,0,0,0,0|0,0,2]=4 680 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,2,0,0,0,0|0,0,2]=4 681 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,2,0,0,0,0|0,0,2]=4 682 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,2,0,0,0,0|0,0,2]=4 684 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,2,0,0,0,0|1,0,1]=4 685 B8R0.18 CCC(C(=O)O)C(=O)O CNP0415777.0 [0,2,0,0,0,0|1,0,1]=4 686 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,2,0,0,0,0|1,0,1]=4 687 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,2,0,0,0,0|1,0,1]=4 688 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,2,0,0,0,0|1,0,1]=4 690 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [0,2,0,0,0,0|0,0,2]=4 692 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|2,0,0]=4 693 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|1,0,1]=4 694 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,1,0,0|1,0,1]=4 695 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,1,0,0|0,0,1]=3 696 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,1]=4 697 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,1]=4 698 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|1,0,1]=4 699 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|2,0,0]=4 700 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,1,0,0|2,0,0]=4 701 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,1,0,0|1,0,1]=4 702 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,1]=4 703 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|0,0,1]=3 704 B6R1.8 O=C1C=C1CO CNP0214079.0 [1,0,0,1,0,0|1,0,0]=3 705 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,1]=4 706 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [1,0,0,1,0,0|1,0,0]=3 707 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,0,0,1,0,1|1,0,0]=3 708 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,1,0,1|2,0,0]=4 709 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,1|2,0,0]=4 710 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,1,0,1|2,0,0]=4 711 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,1|1,0,1]=4 712 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,1,0,1|1,0,1]=4 713 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,1,0,1|2,0,0]=4 714 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,0,0,1,0,1|2,0,0]=4 715 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,0,0,1,0,1|2,0,0]=4 716 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,0,1|2,0,0]=4 717 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,0,0,1,0,1|1,0,1]=4 718 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,0,0,1,0,1|2,0,0]=4 719 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,0,0,1,0,1|1,0,1]=4 720 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,0,0,1,0,1|2,0,0]=4 721 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,0,0,1,0,1|1,0,1]=4 722 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,0,0,1,0,1|1,0,0]=3 723 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,0,0,1,0,1|2,0,0]=4 724 B8R1.18 O=C1NC(=O)[C@@H](N1)O CNP0248349.1 [0,0,0,1,0,1|1,0,0]=3 725 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,1|1,0,1]=4 726 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,1,0,1,0,0|1,0,1]=4 727 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,1,0,1,0,0|1,0,1]=4 731 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,1,0,1,0,0|1,0,1]=4 732 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|1,0,1]=4 734 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.25 O=C1C(=C(C1=O)O)O CNP0489887.0 [0,1,0,1,0,0|0,0,1]=3 737 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|1,1,0]=4 742 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|1,0,1]=4 743 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|1,0,1]=4 744 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|1,0,1]=4 745 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,1]=4 748 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|0,0,1]=3 750 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|0,0,2]=4 751 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|0,0,2]=4 752 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|0,0,2]=4 753 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|0,0,2]=4 754 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,0,0,0,0,2|1,0,1]=4 755 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,0,0,0,0,2|2,0,0]=4 756 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,0,0,0,0,2|1,0,0]=3 757 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,0,0,0,0,2|2,0,0]=4 758 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,0,0,0,0,2|2,0,0]=4 759 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,0,0,0,0,2|1,0,0]=3 760 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,0,0,0,0,2|2,0,0]=4 761 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,0,0,0,0,2|1,0,0]=3 762 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,0,0,0,0,2|2,0,0]=4 763 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,0,0,0,0,2|2,0,0]=4 764 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,0,0,0,0,2|1,0,0]=3 765 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,0,0,0,0,2|1,0,0]=3 766 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,0,0,0,0,2|0,0,0]=2 767 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,0,0,0,0,2|1,0,0]=3 768 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,0,0,0,0,2|0,0,2]=4 769 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,0,0,0,0,2|0,0,2]=4