0 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,0,0,0,0|0,0,0]=0 31 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,0,0,0,0,0|1,0,1]=2 33 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,0,0,0,0,0|0,1,1]=2 34 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,0,0,0,0,0|0,0,2]=2 36 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,0,0,0,0,0|0,0,2]=2 39 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,0,0,0,0,0|1,0,1]=2 40 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,0,0,0,0|0,0,1]=2 45 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,0,0,0,0|0,0,0]=1 61 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,0,0,0,0|0,0,1]=2 62 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.1 CCOC(C)OC CNP0612171.0 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,0,0,0,0|0,1,1]=3 67 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [1,0,0,0,0,0|1,0,2]=4 82 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,0,0,0,0|0,0,0]=1 88 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,0,0,0,0,0|1,0,1]=3 90 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [1,0,0,0,0,0|0,1,1]=3 91 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [1,0,0,0,0,0|0,0,2]=3 94 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,0,0,0,0|0,0,2]=3 95 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,0,0,0,0|0,1,1]=3 96 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,0,0,0,0|1,0,1]=3 97 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,0,0,0,0|0,0,2]=3 102 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,0,0,0,0,0|0,0,0]=1 112 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [1,0,0,0,0,0|1,0,0]=2 113 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [1,0,0,0,0,0|1,0,1]=3 117 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [1,0,0,0,0,0|0,0,2]=3 118 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [1,0,0,0,0,0|1,0,2]=4 119 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [1,0,0,0,0,0|0,0,2]=3 121 B6R0.3 COC(=S)C(C)C CNP0507266.0 [1,0,0,0,0,0|1,1,1]=4 122 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,0,0,0,0|1,0,1]=3 123 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,0,0,0,0,0|1,1,1]=4 124 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,0]=2 138 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|1,0,1]=3 149 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|1,0,1]=3 150 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,0,0,0,0,0|0,0,3]=4 151 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,0,0,0,0|1,0,0]=2 171 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,1,0,0,0,0|1,0,1]=3 176 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,1,0,0,0,0|1,0,1]=3 177 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,1,0,0,0,0|0,0,1]=2 178 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,0,0,0,0|0,0,0]=1 179 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,1,0,0,0,0|0,0,1]=2 180 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,1,0,0,0,0|1,0,1]=3 181 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,1,0,0,0,0|1,0,1]=3 182 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,1,0,0,0,0|1,0,1]=3 183 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,1,0,0,0,0|1,0,1]=3 185 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,1,0,0,0,0|0,0,3]=4 186 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,1,0,0,0,0|1,0,2]=4 188 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,0,0,0,0|1,0,2]=4 197 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,1,0,0,0,0|1,0,1]=3 198 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,1,0,0,0,0|2,0,0]=3 202 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,1,0,0,0,0|2,0,0]=3 203 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.14 CCOC(=O)C(Br)(Br)Br CNP0194648.0 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [0,1,0,0,0,0|1,0,1]=3 209 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,1,0,0,0,0|3,0,0]=4 211 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,0,0|1,0,0]=2 212 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,1,0,0,0,0|1,0,1]=3 218 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,0,0|1,0,1]=3 221 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,0,1,0,0|1,0,1]=3 223 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,1,0,0|1,0,0]=2 224 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,1,0,0|1,0,2]=4 227 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,1,0,0|1,0,2]=4 228 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,0,0,1,0,0|1,1,0]=3 230 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,0,0,1,0,0|1,0,0]=2 239 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,0,0,1,0,0|0,0,2]=3 243 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,0,0,1,0,0|1,0,1]=3 244 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,0,0,1,0,0|1,0,1]=3 245 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,0,0,1,0,0|1,0,1]=3 246 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,0,0,1,0,0|0,0,2]=3 247 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [0,0,0,1,0,0|1,0,2]=4 248 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,0,1,0,0|1,0,2]=4 250 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,0,0,1,0,0|2,0,1]=4 251 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,0,0,0,0,1|2,0,0]=3 252 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,0,0,0,0,1|3,0,0]=4 253 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,0,0,0,0,1|2,0,0]=3 254 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,0,0,0,1|1,0,0]=2 255 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,0,0,0,0,1|2,0,0]=3 256 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,0,0,0,0,1|2,0,1]=4 257 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,0,0,0,0,1|2,0,1]=4 258 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,0,0,0,0,1|2,0,1]=4 259 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,0,0,0,0,1|2,0,1]=4 260 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,0,0,0,0,1|2,0,0]=3 261 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,0,0,0,0,1|1,0,0]=2 262 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,0,0,0,0,1|2,0,0]=3 263 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,0,0,0,0,1|0,0,0]=1 264 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,0,0,0,0,1|1,0,0]=2 265 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,0,0,0,0,1|1,0,0]=2 266 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,0,0,0,0,1|1,0,1]=3 267 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,0,0,0,0,1|0,1,1]=3 268 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,0,0,0,0,1|1,0,1]=3 269 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,0,0,0,0,1|0,0,2]=3 270 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,0,0,0,0,1|0,0,2]=3 271 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,0,0,0,0,1|2,0,0]=3 272 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,0,0,0,0,1|2,0,0]=3 273 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,0,0,0,0,1|1,0,0]=2 274 B5R0.1 C=C(C)C=CC CNP0348667.0 [2,0,0,0,0,0|1,0,1]=4 275 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|1,0,1]=4 276 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|0,0,2]=4 278 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.1 CC(=CCS)C CNP0262600.0 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.1 CC(=O)C=NO CNP0397193.0 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,1]=4 282 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,0,1]=4 283 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|1,0,0]=3 284 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|0,0,1]=3 285 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.1 CC=CC(=O)N CNP0376163.0 [2,0,0,0,0,0|1,0,1]=4 287 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,1]=3 291 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,1]=3 292 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,1]=4 293 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|1,0,1]=4 294 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,0]=3 296 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|0,0,0]=2 297 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|1,0,0]=3 298 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|0,0,1]=3 299 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 300 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|0,0,0]=2 301 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|0,1,0]=3 302 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|0,0,1]=3 303 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,1]=4 304 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|0,1,1]=4 305 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|1,0,1]=4 307 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,0]=3 308 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.2 CC=CSSC CNP0214071.0 [2,0,0,0,0,0|1,1,0]=4 310 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|1,0,0]=3 311 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,1]=4 314 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.2 O=CC=CCO CNP0112016.0 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.3 C#CC(=O)OC CNP0572702.0 [2,0,0,0,0,0|0,0,2]=4 317 B5R0.3 C=C(C=O)CC CNP0542605.0 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.3 C=CC(=O)CC CNP0362181.0 [2,0,0,0,0,0|0,0,1]=3 319 B5R0.3 C=CC(=O)OC CNP0217866.0 [2,0,0,0,0,0|0,0,1]=3 320 B5R0.3 CC=C(C)C=O CNP0281160.0 [2,0,0,0,0,0|1,0,1]=4 321 B5R0.3 CC=C(C)CC CNP0247687.0 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.3 CC=C(C)CO CNP0120418.0 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.3 CCC(=CS)C CNP0025997.0 [2,0,0,0,0,0|1,1,0]=4 324 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|0,0,0]=2 325 B5R0.3 CCC(=O)CC CNP0270305.0 [2,0,0,0,0,0|0,0,1]=3 326 B5R0.3 CCC(=O)CO CNP0165007.0 [2,0,0,0,0,0|0,0,2]=4 327 B5R0.3 CCC(=O)NN CNP0281170.0 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.3 CCC(=O)OC CNP0166631.0 [2,0,0,0,0,0|0,0,1]=3 329 B5R0.3 CCC(=O)SC CNP0240172.0 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [2,0,0,0,0,0|1,0,1]=4 331 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.3 CNC(=O)NC CNP0028412.0 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.3 CNC(=O)OC CNP0483114.0 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.3 COC(=O)CI CNP0017842.0 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.3 COC(=O)NN CNP0033099.0 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [2,0,0,0,0,0|1,0,0]=3 338 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [2,0,0,0,0,0|1,0,0]=3 341 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [2,0,0,0,0,0|0,0,2]=4 344 B5R0.5 CC(=C(C)C)C CNP0192659.0 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.5 CC(=C(C)O)C CNP0164530.0 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [2,0,0,0,0,0|0,0,0]=2 348 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [2,0,0,0,0,0|1,0,0]=3 349 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [2,0,0,0,0,0|0,0,0]=2 350 B5R0.5 CC(=O)C(C)C CNP0209504.0 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.5 CC(=O)C(C)S CNP0409589.0 [2,0,0,0,0,0|0,1,1]=4 352 B5R0.5 CC(=O)C(O)O CNP0547141.0 [2,0,0,0,0,0|0,0,2]=4 353 B5R0.5 CC(=O)N(C)C CNP0083052.0 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [2,0,0,0,0,0|0,0,2]=4 355 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [2,0,0,0,0,0|0,0,2]=4 356 B5R0.5 CC(C)C(=O)O CNP0197560.0 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [2,0,0,0,0,0|0,0,2]=4 359 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [2,0,0,0,0,0|0,0,2]=4 361 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [2,0,0,0,0,0|0,1,1]=4 362 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [2,0,0,0,0,0|1,0,0]=3 364 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [2,0,0,0,0,0|1,0,0]=3 367 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|2,0,0]=4 369 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,1,0,0,0,0|0,0,1]=3 371 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|2,0,0]=4 372 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|2,0,0]=4 375 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,1,0,0,0,0|0,0,1]=3 379 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|0,0,1]=3 381 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|0,0,1]=3 385 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,1,0,0,0,0|0,0,1]=3 390 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,1,0,0,0,0|1,0,0]=3 392 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,1,0,0,0,0|0,0,0]=2 393 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,1,0,0,0,0|0,0,1]=3 396 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,1,0,0,0,0|0,1,1]=4 397 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,1,0,0,0,0|0,0,1]=3 398 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,1,0,0,0,0|0,0,1]=3 399 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,1,0,0,0,0|0,0,1]=3 400 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,1,0,0,0,0|0,0,1]=3 401 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,1,0,0,0,0|0,0,1]=3 402 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,1,0,0,0,0|0,0,1]=3 403 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,1,0,0,0,0|0,0,1]=3 404 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,1,0,0,0,0|1,0,1]=4 405 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,1,0,0,0,0|1,0,1]=4 406 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [1,1,0,0,0,0|2,0,0]=4 414 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [1,1,0,0,0,0|0,0,2]=4 415 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [1,1,0,0,0,0|2,0,0]=4 417 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [1,1,0,0,0,0|1,0,0]=3 419 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [1,1,0,0,0,0|0,0,0]=2 420 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [1,1,0,0,0,0|0,1,1]=4 421 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [1,1,0,0,0,0|1,0,1]=4 427 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [1,1,0,0,0,0|0,0,2]=4 428 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [1,1,0,0,0,0|1,0,0]=3 430 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,1,0,0,0,0|1,0,1]=4 432 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|1,1,0]=4 439 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|0,0,1]=3 441 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|1,0,1]=4 448 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,1,0,0,0,0|0,0,2]=4 449 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|0,0,1]=3 450 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,1,0,0,0,1|2,0,0]=4 457 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,0,0,0,1|1,0,0]=3 458 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,0,0,0,1|1,0,0]=3 459 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,1,0,0,0,1|1,0,1]=4 460 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,1,0,0,0,1|1,0,0]=3 461 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,1,0,0,0,1|0,0,2]=4 462 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,1,0,0,0,1|1,0,1]=4 463 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,1,0,0,0,1|2,0,0]=4 464 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,0,0,0,1|0,0,0]=2 465 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,1,0,0,0,1|0,1,1]=4 466 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,1,0,0,0,1|1,0,1]=4 467 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,1,0,0,0,1|1,0,1]=4 468 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,1,0,0,0,1|0,1,1]=4 469 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,1|0,0,2]=4 470 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,1|1,0,1]=4 471 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,1,0,0,0,1|0,0,2]=4 472 B9R0.44 CCOC(=O)CS(=O)(=O)Cl CNP0190677.0 [0,1,0,0,0,1|2,0,0]=4 473 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,1,0,0,0,1|1,0,0]=3 474 B9R0.53 CC(=CC(=O)SC(C)C)C CNP0219971.0 [0,1,0,0,0,1|1,1,0]=4 475 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,1,0,0,0,1|1,0,1]=4 476 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,0,0,0,1|1,0,1]=4 477 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,0,0,0,1|2,0,0]=4 478 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,2,0,0,0,0|1,0,0]=3 479 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.27 COC(=O)C(=O)C(=O)OC CNP0423132.0 [0,2,0,0,0,0|2,0,0]=4 481 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,2,0,0,0,0|2,0,0]=4 482 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.79 CC(C)N(O)C(=O)C(=O)O CNP0493755.0 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.8 C=CCOC(=O)C(=CC)C CNP0002799.0 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,2,0,0,0,0|1,0,0]=3 486 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|1,0,0]=3 487 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,2,0,0,0,0|1,0,1]=4 488 B9R0.19 CCOC(=O)C(C)(O)CC CNP0222840.0 [0,2,0,0,0,0|0,0,2]=4 489 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,2,0,0,0,0|1,0,1]=4 490 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,2,0,0,0,0|1,0,0]=3 494 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,2,0,0,0,0|0,0,0]=2 496 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,2,0,0,0,0|0,1,1]=4 497 B9R0.37 CCCC(=O)C(=NO)CC CNP0136885.0 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.37 CCOC(=O)C(=NO)SC CNP0076990.0 [0,2,0,0,0,0|0,0,1]=3 499 B9R0.37 CCOC(=O)C(CC)CC CNP0165107.0 [0,2,0,0,0,0|1,0,1]=4 500 B9R0.37 CCOC(=O)[C@@H](CC)NC CNP0599736.1 [0,2,0,0,0,0|1,0,1]=4 501 B9R0.37 CCOC(=O)[C@H](CC)NC CNP0599736.2 [0,2,0,0,0,0|1,0,1]=4 502 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,2,0,0,0,0|1,0,0]=3 503 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,2,0,0,0,0|1,0,1]=4 504 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,2,0,0,0,0|1,0,1]=4 505 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,2,0,0,0,0|2,0,0]=4 506 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,2,0,0,0,0|1,0,1]=4 507 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,2,0,0,0,0|2,0,0]=4 508 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,2,0,0,0,0|2,0,0]=4 509 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,2,0,0,0,0|1,0,0]=3 510 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,2,0,0,0,0|2,0,0]=4 511 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,2,0,0,0,0|1,0,1]=4 513 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|0,0,2]=4 514 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,2,0,0,0,0|2,0,0]=4 515 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,2,0,0,0,0|2,0,0]=4 516 B9R0.33 CCOC(C(=O)O)C(=O)O CNP0306774.0 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.39 CC(=O)C(=NO)CC(C)C CNP0159889.0 [0,2,0,0,0,0|1,0,1]=4 518 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,1]=3 519 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,1]=4 521 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 523 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,1]=3 524 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,1]=3 526 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 529 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,1,0,0|1,0,1]=4 530 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,1]=4 531 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,1]=4 532 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,1]=3 533 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 535 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|0,0,1]=3 536 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,0,0,1,0,0|1,1,0]=4 538 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|1,0,1]=4 539 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|0,0,1]=3 540 B7R1.4 CC1=NCNC1=O CNP0353390.0 [1,0,0,1,0,0|2,0,0]=4 541 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.4 CN1CCOC1=S CNP0208839.0 [1,0,0,1,0,0|1,1,0]=4 543 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|1,0,1]=4 544 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|0,0,1]=3 545 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,0,1]=4 546 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|1,0,1]=4 547 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|0,0,1]=3 548 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,0,1]=4 549 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|1,0,1]=4 550 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|1,0,1]=4 551 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,0,0,1,0,0|1,0,1]=4 552 B7R1.4 O=C1CCC=C1O CNP0104225.0 [1,0,0,1,0,0|1,0,1]=4 553 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,1,0,0|1,0,0]=3 554 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,0,0,1,0,0|0,0,2]=4 555 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [1,0,0,1,0,0|1,0,1]=4 556 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [1,0,0,1,0,0|0,0,2]=4 558 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|0,1,1]=4 559 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,1,0,1|2,0,0]=4 560 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,1,0,1|1,0,1]=4 561 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,0,0,1,0,1|2,0,0]=4 562 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,0,0,1,0,1|1,0,1]=4 563 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,0,0,1,0,1|1,0,0]=3 564 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,0,0,1,0,1|0,0,1]=3 565 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,0,0,1,0,1|0,0,2]=4 566 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,0,0,1,0,1|0,0,1]=3 567 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,0,0,1,0,1|0,0,2]=4 568 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,0,1,0,1|2,0,0]=4 569 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [0,0,0,1,0,1|2,0,0]=4 570 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,0,0,1,0,1|0,0,0]=2 571 B9R1.41 NC(=O)N1CCCC1=O CNP0193817.0 [0,0,0,1,0,1|2,0,0]=4 572 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,0,0,1,0,1|2,0,0]=4 573 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,1,0,1|2,0,0]=4 574 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,0,1|1,0,0]=3 575 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,1,0,1|1,0,0]=3 576 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,0,0,1,0,1|1,0,0]=3 577 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,0,1|0,0,2]=4 578 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,0,1|0,0,2]=4 579 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,1|0,0,2]=4 580 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,1,0,1,0,0|1,0,1]=4 582 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,1,0,1,0,0|1,0,1]=4 585 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,1,0,1,0,0|0,0,1]=3 587 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,1,0,1,0,0|0,0,1]=3 588 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,1,0,1,0,0|1,0,0]=3 593 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,1,0,1,0,0|0,0,2]=4 596 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,1,0,1,0,0|0,0,2]=4 597 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|1,0,1]=4 598 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|1,0,1]=4 604 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|1,0,1]=4 605 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|1,0,1]=4 606 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,1,0,1,0,0|1,0,1]=4 607 B9R1.74 CCOC(=O)C1(CC1)N CNP0409533.0 [0,1,0,1,0,0|1,0,1]=4 608 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,1,0,1,0,0|1,0,1]=4 609 B9R1.202 O=C1OCC[C@@]1(O)CO CNP0229397.1 [0,1,0,1,0,0|0,0,2]=4 610 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,1,0,1,0,0|1,1,0]=4 613 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,1,0,1,0,0|1,0,1]=4 615 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,1,0,1,0,0|0,0,2]=4 619 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,1,0,0|1,0,1]=4 620 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [0,1,0,1,0,0|0,0,2]=4 623 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [0,1,0,1,0,0|0,0,2]=4 624 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [0,1,0,1,0,0|0,0,2]=4 625 B9R1.153 CC1(OC(=O)C1(C)C)C CNP0024798.0 [0,1,0,1,0,0|1,0,1]=4 626 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,1,0,1,0,0|1,0,0]=3 627 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,0,0,0,0,2|2,0,0]=4 628 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,0,0,0,0,2|1,0,0]=3 629 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,0,0,0,0,2|1,0,0]=3 630 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,0,0,0,0,2|2,0,0]=4 631 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,0,0,0,0,2|1,0,0]=3 632 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,0,0,0,0,2|1,0,1]=4 633 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,0,0,0,0,2|2,0,0]=4 634 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,0,0,0,0,2|0,0,0]=2 635 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,0,0,0,0,2|1,0,0]=3 636 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,0,0,0,0,2|1,0,0]=3 637 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,0,0,0,0,2|1,0,1]=4 638 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,0,0,0,0,2|2,0,0]=4 639 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,0,0,0,0,2|1,0,1]=4 640 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,0,0,0,0,2|0,1,0]=3