0 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,0,0,0,0|2,1,1]=4 27 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [0,0,0,0,0,0|2,1,1]=4 34 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,0,0,0,0,0|0,0,2]=2 39 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,0,0,0,0,0|1,0,1]=2 40 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,0,0,0,0|1,0,1]=2 41 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,0,0,0,0,0|1,0,1]=2 43 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,0,0,0,0|1,0,1]=2 44 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,0,0,0,0,0|0,1,2]=3 45 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,0,0,0,0|2,1,1]=4 47 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|0,0,3]=4 81 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|1,1,1]=4 82 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,0,0,0,0,0|0,0,2]=3 83 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|0,0,0]=1 87 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|1,0,2]=4 88 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|0,0,1]=2 98 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|0,1,1]=3 99 B5R0.3 CNC(=N)NC CNP0404528.0 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.3 COC(=O)NN CNP0033099.0 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,0,0,0,0,0|1,0,0]=2 106 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,0,0,0,0|0,0,0]=1 107 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,0,0,0,0|0,0,0]=1 110 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,0,0,0,0|0,0,2]=3 111 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,0,0,0,0|0,0,2]=3 112 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,0,0,0,0,0|1,0,0]=2 115 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,0,0|0,0,2]=3 121 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,0,0,0,0|1,0,0]=2 122 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,0,0,0,0|1,0,0]=2 123 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,0,0,0,0,0|1,0,0]=2 125 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,0,0|0,0,2]=3 127 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,0,0,0,0|1,0,1]=3 128 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,0,0,0,0,0|1,0,2]=4 129 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,0,0,0,0|1,0,1]=3 131 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,0,0|0,0,2]=3 135 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,0,0,0,0|1,0,1]=3 141 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|0,0,0]=1 160 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|1,0,0]=2 164 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,0,0,0,0|0,0,2]=3 175 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|1,0,0]=2 186 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|0,0,0]=1 187 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|1,0,0]=2 188 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|0,0,2]=3 193 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|0,0,2]=3 194 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|0,0,2]=3 196 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|0,0,2]=3 197 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|1,0,0]=2 198 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|0,0,2]=3 202 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|0,0,1]=2 206 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,0,0,0,0|1,0,1]=3 207 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|1,0,1]=3 208 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.14 COC(=O)C(Br)(Br)Br CNP0347228.0 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,1,0,0,0,0|0,0,2]=3 215 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,0,0,0,0|1,0,0]=2 216 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|3,0,0]=4 224 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|0,0,0]=1 225 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,1,0,0|2,1,0]=4 229 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,1,0,0|1,0,1]=3 230 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,1,0,0|1,1,1]=4 232 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|0,0,0]=1 234 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|1,1,1]=4 239 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|1,0,2]=4 240 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|0,0,2]=3 241 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|1,0,2]=4 243 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|0,0,2]=3 244 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|1,0,1]=3 246 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|1,0,1]=3 247 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|1,1,1]=4 248 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,1,0,0|1,0,2]=4 254 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,0,1,0,0|0,0,2]=3 257 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,0,0,1,0,0|1,0,1]=3 258 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,0,0,0,1|3,0,0]=4 259 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,0,0,0,1|1,0,1]=3 260 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,0,0,0,1|3,0,0]=4 261 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,0,0,0,0,1|1,0,2]=4 262 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,0,0,0,1|2,0,0]=3 263 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,0,0,0,0,1|1,0,2]=4 264 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,0,0,0,0,1|2,0,0]=3 265 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,0,0,0,0,1|3,0,0]=4 266 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,0,0,0,1|2,0,0]=3 267 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,0,0,0,0,1|0,0,1]=2 268 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,0,0,0,1|1,0,0]=2 269 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,0,0,0,0,1|2,0,0]=3 270 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,0,0,0,0,1|0,0,2]=3 271 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,0,0,0,0,1|1,0,1]=3 272 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,0,0,0,0,1|1,0,1]=3 273 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,0,0,0,0,1|1,0,1]=3 274 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,0,0,0,0,1|1,0,1]=3 275 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,0,0,0,0,1|1,0,1]=3 276 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,0,0,0,0,1|1,0,1]=3 277 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,0,0,0,0,1|2,0,0]=3 278 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,0,0,0,0,1|0,1,2]=4 279 B4R0.1 C#CC(=C)C CNP0599820.0 [2,0,0,0,0,0|0,0,2]=4 280 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 281 B4R0.1 C=C(Br)CO CNP0506207.0 [2,0,0,0,0,0|1,0,1]=4 282 B4R0.1 C=C(C)C#N CNP0560504.0 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,0]=2 284 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,1]=3 285 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|0,0,1]=3 286 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|0,0,1]=3 288 B4R0.1 C=CC(=N)N CNP0498731.0 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,0]=2 290 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,0]=3 291 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,0]=3 292 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,0]=2 293 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|0,0,1]=3 294 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,0,2]=4 296 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,0,2]=4 297 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|1,0,1]=4 298 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 303 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,1]=4 304 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,0]=3 310 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,2]=4 311 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,2]=4 312 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,1]=4 313 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,1]=3 314 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,1]=3 316 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,1]=4 317 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,1]=4 318 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,1]=3 320 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,2]=4 321 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,2]=4 322 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,2]=4 323 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,1]=4 324 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 328 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,0]=2 329 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,1,0]=3 331 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,1]=4 332 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,2]=4 334 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,0]=3 335 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,1]=4 337 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,1]=4 339 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|1,0,1]=4 344 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|1,0,0]=3 345 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|1,0,1]=4 347 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|0,1,1]=4 348 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|0,1,1]=4 349 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,0]=3 354 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|0,1,0]=3 357 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,1,0]=4 358 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|0,0,2]=4 359 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|2,0,0]=4 360 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,1,0,0,0,0|0,1,1]=4 363 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|0,1,1]=4 375 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|0,0,1]=3 381 B6R0.8 COP(=O)(N)SC CNP0341467.0 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.9 C=CC(OC)OC CNP0324949.0 [1,1,0,0,0,0|0,0,2]=4 383 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [1,1,0,0,0,0|0,0,2]=4 388 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [1,1,0,0,0,0|0,0,2]=4 389 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [1,1,0,0,0,0|0,0,2]=4 390 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [1,1,0,0,0,0|0,0,2]=4 391 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [1,1,0,0,0,0|0,0,2]=4 392 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,1,0,0,0,1|1,0,1]=4 393 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,1,0,0,0,1|2,0,0]=4 394 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,0,0,0,1|2,0,0]=4 395 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,0,0,0,1|0,0,2]=4 396 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,0,0,0,1|0,0,2]=4 397 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,0,0,0,1|0,0,2]=4 398 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,1,0,0,0,1|1,0,0]=3 399 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,0,0,0,1|1,0,1]=4 400 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,0,0,0,1|0,0,2]=4 401 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,0,0,0,1|1,0,1]=4 402 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,0,0,0,1|1,0,1]=4 403 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,0,0,0,1|1,0,1]=4 404 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,0,0,0,1|1,0,1]=4 405 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,0,0,0,1|1,0,1]=4 406 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,0,0,0,1|2,0,0]=4 407 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,1,0,0,0,1|2,0,0]=4 408 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,0,0,0,1|0,0,1]=3 409 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,1,0,0,0,1|2,0,0]=4 410 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,1|1,0,0]=3 411 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,0,0,0,1|2,0,0]=4 412 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,1|2,0,0]=4 413 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,1,0,0,0,1|0,0,2]=4 414 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,1,0,0,0,1|1,0,1]=4 415 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,1,0,0,0,1|1,0,1]=4 416 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,1,0,0,0,1|1,0,1]=4 417 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,1,0,0,0,1|1,0,1]=4 418 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,1,0,0,0,1|1,0,1]=4 419 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,1,0,0,0,1|1,0,1]=4 420 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,1,0,0,0,1|2,0,0]=4 421 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,0,0,0,1|2,0,0]=4 422 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,0,0,0,1|0,0,0]=2 423 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,0,0,0,1|0,0,1]=3 424 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,0,0,0,1|1,0,1]=4 425 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,1,0,0,0,1|2,0,0]=4 426 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,0,0,0,1|0,0,2]=4 427 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,0,0,0,1|1,0,1]=4 428 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,1,0,0,0,1|0,0,1]=3 429 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,1,0,0,0,1|1,0,0]=3 430 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,1,0,0,0,1|1,0,0]=3 431 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,0,0,0,1|0,0,2]=4 432 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,1,0,0,0,1|1,0,0]=3 433 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,0,0,0,1|2,0,0]=4 434 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,0,0,0,1|2,0,0]=4 435 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,1,0,0,0,1|2,0,0]=4 436 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,1,0,0,0,1|0,0,2]=4 437 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|0,0,0]=2 438 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|0,0,0]=2 440 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|0,0,2]=4 443 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|0,0,1]=3 448 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|0,0,2]=4 449 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|1,0,1]=4 451 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|1,0,1]=4 453 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|0,0,2]=4 454 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,2,0,0,0,0|0,0,0]=2 457 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,2,0,0,0,0|0,0,2]=4 458 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|0,0,2]=4 460 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,1,0]=4 461 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,2,0,0,0,0|0,0,2]=4 462 B8R0.15 C=C(C)C(=CC)C#CC CNP0577424.0 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,2,0,0,0,0|0,0,2]=4 465 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,2,0,0,0,0|0,0,2]=4 466 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [0,2,0,0,0,0|0,0,2]=4 467 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [0,2,0,0,0,0|0,0,2]=4 468 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,2,0,0,0,0|0,0,2]=4 470 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|1,0,0]=3 471 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|0,0,1]=3 475 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,1,0,0|1,1,0]=4 476 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,1,0,0|0,0,1]=3 479 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|0,0,1]=3 480 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,1,0,0|0,1,1]=4 481 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,1]=4 483 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|1,0,1]=4 487 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,0,1,0,1|2,0,0]=4 489 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,0,0,1,0,1|2,0,0]=4 490 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,0,0,1,0,1|2,0,0]=4 491 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,0,0,1,0,1|1,0,1]=4 492 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,0,0,1,0,1|1,1,0]=4 493 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,0,0,1,0,1|2,0,0]=4 494 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,0,0,1,0,1|2,0,0]=4 495 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,0,0,1,0,1|1,1,0]=4 496 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,0,0,1,0,1|1,1,0]=4 497 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,1|1,0,1]=4 498 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,1,0,1|2,0,0]=4 499 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,1|0,0,1]=3 500 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,1,0,1|1,0,1]=4 501 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,1,0,1|2,0,0]=4 502 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,1|1,0,0]=3 503 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,1,0,1|2,0,0]=4 504 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,1|0,0,2]=4 505 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,1,0,1|2,0,0]=4 506 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,1|1,0,0]=3 507 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,1,0,1|1,0,1]=4 508 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,1,0,1|2,0,0]=4 509 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,0,0,1,0,1|2,0,0]=4 510 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,0,0,1,0,1|2,0,0]=4 511 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,0,0,1,0,1|2,0,0]=4 512 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,0,0,1,0,1|2,0,0]=4 513 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,0,0,1,0,1|2,0,0]=4 514 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,0,0,1,0,1|1,0,1]=4 515 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,0,0,1,0,1|1,0,1]=4 516 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,0,1|2,0,0]=4 517 B8R1.18 CN1CC(=NC1=O)O CNP0592460.0 [0,0,0,1,0,1|2,0,0]=4 518 B8R1.18 CN1CC(=O)NC1=O CNP0220202.0 [0,0,0,1,0,1|2,0,0]=4 519 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,1|0,0,2]=4 520 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,2]=4 521 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,1,0,0|0,1,1]=4 528 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|0,0,0]=2 534 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|0,0,0]=2 536 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [0,1,0,1,0,0|0,0,2]=4 537 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|0,0,0]=2 538 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|0,0,0]=2 539 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|0,0,2]=4 548 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|0,0,2]=4 549 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|0,0,2]=4 551 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|1,0,1]=4 559 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,0,0,0,0,2|2,0,0]=4 560 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,0,0,0,0,2|1,0,1]=4 561 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,0,0,0,0,2|2,0,0]=4 562 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,0,0,0,0,2|2,0,0]=4 563 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,0,0,0,0,2|2,0,0]=4 564 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,0,0,0,0,2|2,0,0]=4 565 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,0,0,0,0,2|2,0,0]=4 566 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,0,0,0,0,2|0,0,1]=3 567 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,0,0,0,0,2|1,0,0]=3 568 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,0,0,0,0,2|2,0,0]=4 569 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,0,0,0,0,2|2,0,0]=4 570 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,0,0,0,0,2|0,0,2]=4 571 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,0,0,0,0,2|1,0,0]=3 572 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [0,0,0,0,0,2|2,0,0]=4