0 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,0,0,0,0,0|0,0,2]=2 5 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,0,0,0,0,0|1,1,1]=3 8 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,0,0,0,0,0|1,0,1]=2 14 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,0,0,0,0,0|0,0,2]=2 24 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,0,0,0,0|0,0,0]=0 25 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,0,0,0,0,0|0,0,4]=4 26 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,0,0,0,0,0|1,0,2]=3 28 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,0,0,0|0,0,1]=2 35 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,0,0,0,0,0|0,1,1]=3 38 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,0,0,0|1,0,2]=4 40 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,0,0,0|0,0,1]=2 45 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,0,0,0|1,0,2]=4 46 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,0,0,0|0,0,1]=2 47 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,0,0,0|0,0,3]=4 49 B7R1.2 CC1CCC(S1)C CNP0003500.0 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,0,0,0|1,0,2]=4 54 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,0,0,0|2,1,0]=4 59 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,0,0,0|1,0,2]=4 62 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,0,0,0,0,0|2,1,0]=4 74 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [1,0,0,0,0,0|2,1,0]=4 75 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,0,0,0|1,0,1]=3 76 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,0,0,0|1,0,2]=4 77 B7R1.4 CC1=NCNC1=O CNP0353390.0 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,0,0,0|1,0,1]=3 79 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,0,0,0|1,0,1]=3 80 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,0,0,0,0,0|1,0,1]=3 81 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,0,0,0|1,0,1]=3 82 B7R1.4 CN1CCOC1=S CNP0208839.0 [1,0,0,0,0,0|2,1,0]=4 83 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,0,0,0|0,0,1]=2 84 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,0,0,0|1,0,2]=4 86 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,0,0,0|0,0,3]=4 87 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,0,0,0|1,0,0]=2 88 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,0,0,0|1,0,1]=3 89 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,0,0,0|0,0,1]=2 90 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,0,0,0|1,0,2]=4 91 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,0,0,0|1,0,0]=2 92 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,0,0,0|1,0,1]=3 93 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,0,0,0,0,0|0,0,2]=3 99 B7R1.4 O=C1CCC=C1O CNP0104225.0 [1,0,0,0,0,0|0,0,2]=3 100 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,0,0,0|0,0,0]=1 101 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,0,0,0|1,1,1]=4 102 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,1,0,0,0,0|0,0,2]=3 105 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.27 CC1=C([C@H](CO1)C)C=O CNP0333364.1 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,1,0,0,0,0|0,0,2]=3 110 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,0,0,0|0,0,2]=3 111 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,0,0,0|0,0,2]=3 112 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,1,0,0,0,0|1,0,2]=4 114 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,1,0,0,0,0|0,0,2]=3 115 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,1,0,0,0,0|1,0,2]=4 117 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,1,0,0,0,0|0,0,2]=3 120 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,1,0,0,0,0|1,0,2]=4 121 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,1,0,0,0,0|1,0,1]=3 122 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,1,0,0,0,0|1,0,2]=4 123 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.37 CN1C(=O)NC(=O)C1=O CNP0061078.0 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,0,0,0|0,0,0]=1 128 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,1,0,0,0,0|1,0,2]=4 129 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [0,1,0,0,0,0|0,0,0]=1 130 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.132 CCC1=C(C(=N)CC1)O CNP0002638.0 [0,1,0,0,0,0|1,0,2]=4 132 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,1,0,0,0,0|0,0,2]=3 133 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,0,0,0|0,0,0]=1 134 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,0,0,0|1,0,2]=4 135 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,0,0,0|1,0,2]=4 136 B9R1.138 CC1(OCC(C1=O)O)O CNP0440658.0 [0,1,0,0,0,0|1,0,2]=4 137 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,0,1,0,0,0|1,0,0]=2 140 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,0,1,0,0,0|2,0,1]=4 141 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,0,1,0,0,0|1,0,2]=4 142 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,0,1,0,0,0|2,0,1]=4 143 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,0,1,0,0,0|1,0,0]=2 144 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,0,1,0,0,0|2,0,1]=4 146 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,0,1,0,0,0|2,0,1]=4 147 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,0,1,0,0,0|1,0,2]=4 148 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,0,1,0,0,0|1,0,1]=3 150 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,0,1,0,0,0|2,0,0]=3 151 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,0,1,0,0,0|1,0,1]=3 152 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,0,1,0,0,0|1,0,1]=3 153 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,0,1,0,0,0|2,0,1]=4 154 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,0,1,0,0,0|3,0,0]=4 155 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,0,1,0,0,0|3,0,0]=4 157 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,0,1,0,0,0|1,0,0]=2 158 B7R0.3 NC(C=O)CSN=O CNP0293255.0 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,0,1,0,0,0|1,0,0]=2 160 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,0,1,0,0,0|1,0,1]=3 161 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,0,1,0,0,0|0,0,0]=1 164 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,0,1,0,0,0|1,0,1]=3 165 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,0,1,0,0,0|1,0,1]=3 166 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,0,1,0,0,0|1,0,1]=3 167 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,0,1,0,0,0|1,0,2]=4 168 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,0,1,0,0,0|2,0,1]=4 169 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,0,1,0,0,0|2,0,0]=3 170 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,0,1,0,0,0|2,0,0]=3 171 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,0,1,0,0,0|2,0,0]=3 172 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,0,1,0,0,0|3,0,0]=4 173 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,0,1,0,0,0|2,0,0]=3 175 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,0,1,0,0,0|3,0,0]=4 176 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,0,1,0,0,0|3,0,0]=4 178 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,0,1,0,0,0|1,0,0]=2 179 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,1,0,0,0|2,0,1]=4 180 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,0,1,0,0,0|1,0,2]=4 181 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,1,0,0,0|0,0,0]=1 182 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,0,1,0,0,0|0,1,1]=3 183 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,0,1,0,0,0|2,0,0]=3 184 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,0,1,0,0,0|1,0,1]=3 185 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,0,1,0,0,0|1,0,1]=3 186 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,0,1,0,0,0|1,0,0]=2 187 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,0,1,0,0,0|1,0,0]=2 188 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,0,1,0,0,0|1,0,1]=3 189 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,0,1,0,0,0|0,0,2]=3 190 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,0,1,0,0,0|1,0,2]=4 192 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,0,1,0,0,0|1,0,2]=4 193 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,0,1,0,0,0|2,0,1]=4 194 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,0,1,0,0,0|1,0,2]=4 195 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,0,1,0,0,0|2,0,0]=3 196 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,0,1,0,0,0|3,0,0]=4 197 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,0,1,0,0,0|2,0,0]=3 198 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,0,1,0,0,0|2,0,1]=4 199 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,0,1,0|2,0,1]=4 200 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,0,1,0|1,0,2]=4 201 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,0,0,0,0,1|0,0,2]=3 202 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,0,0,0,0,1|0,0,3]=4 203 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,0,0,0,0,1|1,0,1]=3 204 B9R1.3 CN1CCCN(C1=O)C CNP0493752.0 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,0,0,0,0,1|0,0,2]=3 206 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,0,0,1|0,0,0]=1 207 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,0,0,0,0,1|2,0,1]=4 208 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,0,0,0,0,1|2,0,1]=4 209 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,0,0,0,0,1|1,0,2]=4 210 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,0,0,0,0,1|2,0,1]=4 211 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,0,0,0,0,1|2,0,1]=4 212 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,0,0,1|1,0,1]=3 213 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.69 CC1=CNC(=O)NC1=O CNP0143365.0 [0,0,0,0,0,1|1,0,2]=4 215 B9R1.69 CC1=CNC(C(=O)N1)C CNP0609428.0 [0,0,0,0,0,1|2,0,1]=4 216 B9R1.69 CC1=NNC(=O)NC1=O CNP0082142.0 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,0,0,0,0,1|1,0,0]=2 218 B9R1.69 CN1C=CC(=O)NC1=O CNP0199194.0 [0,0,0,0,0,1|1,0,2]=4 219 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,0,0,0,0,1|1,0,0]=2 220 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,0,0,0,0,1|1,0,1]=3 221 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,0,0,0,0,1|1,0,1]=3 222 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,0,0,0,0,1|1,0,1]=3 223 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,0,0,0,0,1|1,0,1]=3 224 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,0,0,0,0,1|1,0,1]=3 225 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,0,0,1|2,0,1]=4 226 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [1,0,1,0,0,0|0,0,2]=4 227 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,1,0,0,0|1,0,1]=4 228 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|1,0,0]=3 229 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [1,0,1,0,0,0|0,0,1]=3 231 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,0,1,0,0,0|1,0,1]=4 232 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,1,0,0,0|0,0,1]=3 233 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,1,0,0,0|1,0,1]=4 234 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,1,0,0,0|1,0,1]=4 235 B6R0.1 CCC(C)C=NO CNP0605626.0 [1,0,1,0,0,0|1,0,1]=4 236 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,0,1,0,0,0|0,0,1]=3 237 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,0,1,0,0,0|1,0,0]=3 238 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,0,1,0,0,0|1,0,0]=3 239 B6R0.1 CCC(C)ON=O CNP0521211.0 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,0,1,0,0,0|1,0,1]=4 241 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,0,1,0,0,0|2,0,0]=4 242 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,1,0,0,0|1,0,1]=4 243 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,1,0,0,0|0,0,0]=2 244 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,1,0,0,0|0,0,1]=3 245 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,1,0,0,0|0,0,2]=4 246 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,1,0,0,0|1,0,1]=4 247 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,1,0,0,0|1,0,1]=4 248 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,0,1,0,0,0|0,0,1]=3 249 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,1,0,0,0|1,0,0]=3 250 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,1,0,0,0|2,0,0]=4 251 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,1,0,0,0|1,0,0]=3 252 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,1,0,0,0|1,0,0]=3 253 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,1,0,0,0|2,0,0]=4 255 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,1,0,0,0|1,0,0]=3 256 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,0,1,0,0,0|1,0,1]=4 257 B6R0.1 NC(C=O)CC=O CNP0515395.0 [1,0,1,0,0,0|1,0,0]=3 258 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,1,0,0,0|1,0,0]=3 259 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,1,0,0,0|2,0,0]=4 260 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,1,0,0,0|1,0,1]=4 261 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,1,0,0,0|1,0,1]=4 262 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,1,0,0,0|0,0,1]=3 263 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,1,0,0,0|0,0,1]=3 264 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,1,0,0,0|1,0,1]=4 265 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,1,0,0,0|1,0,1]=4 266 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,1,0,0,0|0,0,1]=3 267 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,1,0,0,0|1,0,0]=3 268 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,1,0,0,0|0,0,1]=3 269 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,1,0,0,0|0,0,1]=3 270 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,1,0,0,0|1,0,1]=4 271 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,1,0,0,0|1,0,1]=4 272 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,1,0,0,0|1,0,1]=4 273 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,1,0,0,0|1,0,1]=4 274 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,1,0,0,0|2,0,0]=4 275 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,1,0,0,0|1,0,1]=4 276 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,1,0,0,0|1,0,1]=4 277 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,1,0,0,0|1,0,1]=4 278 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,1,0,0,0|2,0,0]=4 279 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,1,0,0,0|1,0,1]=4 280 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,1,0,0,0|1,0,1]=4 281 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,1,0,0,0|1,0,1]=4 282 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,1,0,0,0|2,0,0]=4 283 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,1,0,0,0|1,0,1]=4 284 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,1,0,0,0|1,0,1]=4 285 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,1,0,0,0|1,0,1]=4 286 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,1,0,0,0|1,0,1]=4 287 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|1,0,1]=4 288 B6R0.6 C=CCCCC=C CNP0115869.0 [1,0,1,0,0,0|2,0,0]=4 289 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,1,0,0,0|1,0,1]=4 290 B6R0.6 C=COCCCC CNP0077236.0 [1,0,1,0,0,0|2,0,0]=4 291 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,1,0,0,0|1,0,1]=4 292 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,1,0,0,0|1,0,0]=3 293 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,1,0,0,0|2,0,0]=4 294 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,1,0,0,0|2,0,0]=4 295 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,1,0,0,0|2,0,0]=4 296 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,1,0,0,0|0,0,2]=4 297 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,1]=3 298 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,1,0,0,0|0,0,1]=3 299 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,1,0,0,0|1,0,1]=4 300 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,1,0,0,0|0,0,1]=3 301 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,1,0,0,0|1,0,0]=3 302 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,1,0,0,0|1,0,0]=3 303 B6R0.6 CCCCON=O CNP0003508.0 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,1,0,0,0|1,0,1]=4 305 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,1,0,0,0|1,0,1]=4 306 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,1,0,0,0|0,0,0]=2 307 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,0,1,0,0,0|1,0,0]=3 309 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [1,0,1,0,0,0|0,0,1]=3 311 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [1,0,1,0,0,0|1,0,1]=4 312 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,0,1,0,0,0|1,0,1]=4 313 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,0,1,0,0,0|1,0,1]=4 314 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,0,1,0,0,0|1,0,1]=4 315 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,1,0,0,0|1,0,1]=4 316 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,0,1,0,0,0|2,0,0]=4 317 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,1,0,0,0|0,0,0]=2 318 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,1,0,0,0|1,0,0]=3 319 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,0,1,0,0,0|0,0,1]=3 320 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [1,0,1,0,0,0|0,1,1]=4 321 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [1,0,1,0,0,0|1,0,1]=4 322 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [1,0,1,0,0,0|1,0,1]=4 323 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [1,0,1,0,0,0|0,0,2]=4 324 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,1,0,0,0|0,0,2]=4 325 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,1,0,0,0|0,1,1]=4 326 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,1,0,0,0|0,0,1]=3 327 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,0,1,0,0,0|1,0,0]=3 328 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,0,1,0,0,0|1,0,0]=3 329 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,0,1,0,0,0|0,0,1]=3 330 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,0,1,0,0,0|1,0,1]=4 331 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,1,0,0,0|0,0,2]=4 332 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,0,1,0,0,0|1,0,1]=4 333 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,1,0,0,0|0,0,1]=3 334 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,0,1,0,0,0|1,0,0]=3 335 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,0,1,0,0,0|1,0,0]=3 336 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,0,1,0,0,0|0,0,1]=3 337 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,0,1,0,0,0|1,0,1]=4 339 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,0,1,0,0,0|2,0,0]=4 340 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [1,0,1,0,0,0|2,0,0]=4 341 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,0,1,0,0,0|1,0,1]=4 343 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,0,1,0,0,0|1,0,0]=3 344 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [1,0,1,0,0,0|2,0,0]=4 345 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,1,0,0,0|2,0,0]=4 346 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,0,1,0,0,0|1,0,0]=3 347 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [1,0,1,0,0,0|2,0,0]=4 348 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [1,0,1,0,0,0|2,0,0]=4 349 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [1,0,1,0,0,0|2,0,0]=4 350 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [1,0,1,0,0,0|2,0,0]=4 351 B6R0.3 COC(=S)C(C)C CNP0507266.0 [1,0,1,0,0,0|1,1,0]=4 352 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,1,0,0,0|1,0,1]=4 353 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,0,1,0,0,0|1,0,1]=4 355 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,0,1,0,0,0|1,0,1]=4 356 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,0,1,0,0,0|1,0,1]=4 358 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,0,1,0,0,0|1,0,1]=4 362 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,0,1,0,0,0|1,0,1]=4 363 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,1,0,0,0|1,0,1]=4 364 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,1,0,0,0|1,0,0]=3 365 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,1,0,0,0|0,0,1]=3 366 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,1,0,0,0|0,0,1]=3 367 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,0,1,0,0,0|1,0,1]=4 368 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,1,0,0,0|0,0,1]=3 369 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,1,0,0,0|1,0,1]=4 370 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,1,0,0,0|1,0,0]=3 372 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,1,0,0,0|1,1,0]=4 373 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,1,0,0,0|1,0,1]=4 374 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,1,0,0,0|2,0,0]=4 375 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,1,0,0,0|1,0,1]=4 376 B6R1.2 C=C1C=CCC1 CNP0269204.0 [2,0,0,0,0,0|0,0,2]=4 377 B6R1.2 C=C1CCCC1 CNP0338602.0 [2,0,0,0,0,0|1,0,1]=4 378 B6R1.2 CC1=CCCC1 CNP0610106.0 [2,0,0,0,0,0|1,0,0]=3 379 B6R1.2 CC1=CCCS1 CNP0003101.0 [2,0,0,0,0,0|2,0,0]=4 380 B6R1.2 CC1=CCOC1 CNP0516552.0 [2,0,0,0,0,0|2,0,0]=4 381 B6R1.2 CC1=COCC1 CNP0002470.0 [2,0,0,0,0,0|1,0,1]=4 382 B6R1.2 CC1C=COC1 CNP0165220.0 [2,0,0,0,0,0|1,0,0]=3 383 B6R1.2 CC1CC=CS1 CNP0249135.0 [2,0,0,0,0,0|1,0,1]=4 384 B6R1.2 CC1CCCC1 CNP0194612.0 [2,0,0,0,0,0|0,0,2]=4 385 B6R1.2 CC1CCCO1 CNP0502439.0 [2,0,0,0,0,0|1,0,1]=4 386 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [2,0,0,0,0,0|1,0,0]=3 387 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [2,0,0,0,0,0|2,0,0]=4 388 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [2,0,0,0,0,0|1,0,1]=4 389 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [2,0,0,0,0,0|1,0,1]=4 390 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [2,0,0,0,0,0|2,0,0]=4 391 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [2,0,0,0,0,0|1,0,1]=4 392 B6R1.2 O=C1C=CCC1 CNP0122561.0 [2,0,0,0,0,0|0,0,1]=3 393 B6R1.2 O=C1C=CCO1 CNP0253714.0 [2,0,0,0,0,0|1,0,1]=4 394 B6R1.2 O=C1CCCC1 CNP0287963.0 [2,0,0,0,0,0|0,0,1]=3 395 B6R1.2 O=C1CCCN1 CNP0127855.0 [2,0,0,0,0,0|1,0,0]=3 396 B6R1.2 O=C1CCCO1 CNP0315299.0 [2,0,0,0,0,0|1,0,0]=3 397 B6R1.2 O=C1CCCS1 CNP0084584.0 [2,0,0,0,0,0|1,0,0]=3 398 B6R1.2 O=C1CCNN1 CNP0035182.0 [2,0,0,0,0,0|2,0,0]=4 399 B6R1.2 O=C1CCOC1 CNP0051503.0 [2,0,0,0,0,0|1,0,1]=4 400 B6R1.2 O=C1CCON1 CNP0325381.0 [2,0,0,0,0,0|2,0,0]=4 401 B6R1.2 O=C1CCSC1 CNP0003522.0 [2,0,0,0,0,0|1,0,1]=4 402 B6R1.2 O=C1NCCO1 CNP0064744.0 [2,0,0,0,0,0|2,0,0]=4 403 B6R1.2 OC1=NCCC1 CNP0485346.0 [2,0,0,0,0,0|1,0,1]=4 404 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [2,0,0,0,0,0|1,0,1]=4 405 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,1,0,0,0|1,0,0]=3 406 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,1,0,0,0|1,0,1]=4 407 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,1,0,0,0|1,0,1]=4 408 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,1,0,0,0|1,0,1]=4 409 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,1,0,0,0|1,0,1]=4 410 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,1,0,0,0|2,0,0]=4 411 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,1,0,0,0|1,0,1]=4 412 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,1,0,0,0|1,0,0]=3 413 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,1,0,0,0|1,0,0]=3 414 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,1,0,0,0|1,0,1]=4 415 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,1,0,0,0|1,0,0]=3 416 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,1,0,0,0|1,0,1]=4 417 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,1,0,0,0|0,0,2]=4 418 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,1,0,0,0|2,0,0]=4 419 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,1,0,0,0|2,0,0]=4 420 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,1,0,0,0|1,0,1]=4 421 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,1,1,0,0,0|0,0,2]=4 422 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,1,0,0,0|2,0,0]=4 423 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,1,0,0,0|2,0,0]=4 424 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,1,1,0,0,0|1,0,1]=4 425 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,1,1,0,0,0|1,0,1]=4 426 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,1,1,0,0,0|1,0,1]=4 427 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,1,1,0,0,0|1,0,1]=4 428 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,1,1,0,0,0|0,0,2]=4 429 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,1,0,0,0|1,0,1]=4 430 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,1,1,0,0,0|1,0,1]=4 431 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,1,0,0,0|0,0,0]=2 432 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,1,0,0,0|0,0,0]=2 433 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,1,0,0,0|1,0,1]=4 434 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,1,0,0,0|0,0,2]=4 435 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,1,0,0,0|0,0,2]=4 436 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,1,1,0,0,0|1,0,1]=4 437 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,1,1,0,0,0|1,0,1]=4 438 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,1,1,0,0,0|1,0,1]=4 439 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,1,1,0,0,0|1,0,1]=4 440 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,1,1,0,0,0|1,0,1]=4 441 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,1,1,0,0,0|0,0,2]=4 442 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,1,0,0,0|1,0,0]=3 443 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,1,0,0,0|1,0,0]=3 444 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,1,1,0,0,0|1,0,1]=4 445 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,1,1,0,0,0|1,0,0]=3 446 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,1,1,0,0,0|2,0,0]=4 447 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,1,1,0,0,0|1,0,0]=3 448 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [0,1,1,0,0,0|2,0,0]=4 449 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,1,0,0,0|1,0,0]=3 450 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,1,1,0,0,0|2,0,0]=4 451 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,1,1,0,0,0|2,0,0]=4 452 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,1,0,0,0|1,0,1]=4 453 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,1,0,0,0|1,0,1]=4 454 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,1,0,0,0|1,0,1]=4 455 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,1,0,0,0|1,0,1]=4 456 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,1,0,0,0|1,0,1]=4 457 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,1,0,0,0|2,0,0]=4 458 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,1,0,0,0|2,0,0]=4 459 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,1,1,0,0,0|1,0,0]=3 460 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,1,1,0,0,0|1,0,1]=4 461 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,1,1,0,0,0|1,0,0]=3 463 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,1,1,0,0,0|1,0,1]=4 464 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,1,1,0,0,0|1,0,1]=4 465 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,1,1,0,0,0|1,0,1]=4 466 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,1,1,0,0,0|1,0,1]=4 467 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,1,0,0,0|1,0,1]=4 468 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,1,0,0,0|1,0,1]=4 469 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,1,0,0,0|2,0,0]=4 470 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,1,1,0,0,0|1,0,0]=3 472 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [0,1,1,0,0,0|1,0,1]=4 473 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,1,1,0,0,0|2,0,0]=4 474 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,1,1,0,0,0|1,0,1]=4 477 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,1,0,0,0|1,0,1]=4 478 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,1,0,0,0|0,0,0]=2 479 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,1,0,0,0|1,0,1]=4 480 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,1,0,0,0|0,0,2]=4 481 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,1,0,0,0|1,0,1]=4 482 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,1,0,0,0|0,0,2]=4 483 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,1,0,0,0|0,0,0]=2 484 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,1,0,0,0|1,0,1]=4 485 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,1,0,0,0|0,0,2]=4 486 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,1,0,0,0|1,0,1]=4 487 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,1,0,0,0|0,0,2]=4 488 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,1,0,0,0|1,0,0]=3 489 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,1,0,0,0|2,0,0]=4 492 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,1,0,0,0|2,0,0]=4 494 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [0,1,1,0,0,0|2,0,0]=4 495 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,1,1,0,0,0|2,0,0]=4 498 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,1,1,0,0,0|2,0,0]=4 499 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [1,1,0,0,0,0|1,0,1]=4 500 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,1,0,0,0,0|0,0,1]=3 501 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,1,0,0,0,0|1,0,0]=3 502 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,1,0,0,0,0|1,0,0]=3 503 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,1,0,0,0,0|1,0,1]=4 504 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [1,1,0,0,0,0|1,0,1]=4 505 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [1,1,0,0,0,0|1,0,1]=4 506 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [1,1,0,0,0,0|1,0,1]=4 507 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,1,0,0,0,0|1,0,0]=3 508 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,1,0,0,0,0|1,0,1]=4 509 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,1,0,0,0,0|1,0,0]=3 510 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [1,1,0,0,0,0|1,0,1]=4 511 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,1,0,0,0,0|0,0,1]=3 512 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,1,0,0,0,0|1,0,0]=3 513 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,1,0,0,0,0|1,0,0]=3 514 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,1,0,0,0,0|1,0,0]=3 515 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,1,0,0,0,0|1,0,0]=3 516 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,1,0,0,0,0|0,0,1]=3 517 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [1,1,0,0,0,0|1,0,1]=4 518 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [1,1,0,0,0,0|1,0,0]=3 519 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,1,0,0,0,0|2,0,0]=4 521 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [1,1,0,0,0,0|0,0,2]=4 522 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,1,0,0,0,0|1,0,1]=4 523 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,1,0,0,0,0|1,0,0]=3 524 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,1,0,0,0,0|1,0,0]=3 525 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,1,0,0,0,0|1,0,0]=3 526 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,1,0,0,0,0|1,0,0]=3 527 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,1,0,0,0,0|1,0,1]=4 528 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [1,1,0,0,0,0|1,0,1]=4 529 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [1,1,0,0,0,0|1,0,1]=4 530 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,1,0,0,0,0|2,0,0]=4 531 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,1,0,0,0,0|1,0,1]=4 532 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,1,0,0,0,0|0,0,1]=3 533 B8R1.11 CCC1SCCC1=O CNP0185206.0 [1,1,0,0,0,0|1,0,1]=4 534 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,1,0,0,0,0|0,0,1]=3 535 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,1,0,0,0,0|0,0,1]=3 536 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,1,0,0,0,0|1,0,0]=3 537 B8R1.11 N#CC1=C(CCC1)N CNP0263562.0 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [1,1,0,0,0,0|0,0,2]=4 539 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [1,1,0,0,0,0|0,0,1]=3 540 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [1,1,0,0,0,0|1,0,1]=4 541 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [1,1,0,0,0,0|1,0,1]=4 542 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,0,1,0|0,0,2]=4 543 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,1,0,0,0,1|0,0,1]=3 544 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,1,0,0,0,1|1,0,1]=4 545 B10R1.22 CC1=C(C(=O)C[C@H](O1)O)O CNP0088707.1 [0,1,0,0,0,1|0,0,2]=4 546 B10R1.119 CC1=C(C(=O)[C@@H](CO1)O)O CNP0283189.1 [0,1,0,0,0,1|0,0,2]=4 547 B10R1.119 CC1=C(C(=O)[C@H](CO1)O)O CNP0283189.2 [0,1,0,0,0,1|0,0,2]=4 548 B10R1.245 O=CC1=C(CCNC1=O)O CNP0352698.0 [0,1,0,0,0,1|1,0,1]=4 549 B10R1.301 C=C1C(=CCCC1(C)C)C CNP0330496.0 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.301 CC1=CCCC(C1=O)(C)C CNP0037494.0 [0,1,0,0,0,1|1,0,0]=3 551 B10R1.301 C[C@@H]1CCCC(C1=O)(C)C CNP0229398.1 [0,1,0,0,0,1|1,0,1]=4 552 B10R1.301 C[C@H]1CCCC(C1=O)(C)C CNP0229398.2 [0,1,0,0,0,1|1,0,1]=4 553 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.63 CC1=CC(=O)C(CC1)(C)C CNP0610544.0 [0,1,0,0,0,1|1,0,0]=3 555 B10R1.118 CC1=C[C@@H]([C@H](CC1=O)O)O CNP0198563.1 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,0,0,1|1,0,1]=4 557 B10R1.118 CC1=C[C@H]([C@@H](CC1=O)O)O CNP0198563.2 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.118 CN1C[C@@H](C(=O)NC1=O)Br CNP0339185.1 [0,1,0,0,0,1|1,0,0]=3 559 B10R1.118 CN1C[C@H](C(=O)NC1=O)Br CNP0339185.2 [0,1,0,0,0,1|1,0,0]=3 560 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,0,0,1|1,0,1]=4 561 B10R1.147 C[C@@H]1CC(CCC1=O)(C)C CNP0194995.1 [0,1,0,0,0,1|1,0,1]=4 562 B10R1.256 CCC1=C(C(=O)C[C@@H]1C)O CNP0105899.1 [0,2,0,0,0,0|0,0,2]=4 563 B10R1.257 C[C@@H]\1CC/C(=N/O)/C1=N\O CNP0177870.1 [0,2,0,0,0,0|0,0,2]=4 564 B10R1.34 CCC1=C(C(=O)C(C1)C)O CNP0233549.0 [0,2,0,0,0,0|0,0,2]=4 565 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,2,0,0,0,0|0,0,0]=2 566 B10R1.34 CC[C@@H]1CC(=O)C(=C1C)O CNP0372233.1 [0,2,0,0,0,0|0,0,2]=4 567 B10R1.191 CC1=C(C(=O)[C@@H]([C@H]1C)C)O CNP0291420.1 [0,2,0,0,0,0|0,0,2]=4 568 B10R1.271 CC1=C(C(=O)CC1(C)C)O CNP0380715.0 [0,2,0,0,0,0|0,0,2]=4 569 B10R1.271 CC1CC(C(=O)C1=O)(C)C CNP0178824.0 [0,2,0,0,0,0|0,0,0]=2 570 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,2,0,0,0,0|0,0,2]=4 571 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,2,0,0,0,0|0,0,0]=2 572 B10R1.194 C=C1C(=O)CC[C@@H]1C(=O)O CNP0129615.1 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.194 C=C1C(=O)CC[C@H]1C(=O)O CNP0129615.2 [0,2,0,0,0,0|1,0,1]=4 574 B10R1.194 CC(C)C1=C(C(=O)CC1)O CNP0240398.0 [0,2,0,0,0,0|0,0,2]=4 575 B10R1.194 CC(C)C1=CCC(C1=O)C CNP0116593.0 [0,2,0,0,0,0|1,0,1]=4 576 B10R1.194 CC(C)C1CCC(=O)C1=O CNP0002623.0 [0,2,0,0,0,0|0,0,0]=2 577 B10R1.194 C[C@@H](O)C1=C(C(=O)CC1)Cl CNP0370769.2 [0,2,0,0,0,0|1,0,1]=4 578 B10R1.194 C[C@H](O)C1=C(C(=O)CC1)Cl CNP0370769.1 [0,2,0,0,0,0|1,0,1]=4 579 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,0,1,1,0,0|2,0,0]=4 580 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,0,1,1,0,0|1,0,0]=3 581 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,0,1,1,0,0|1,0,0]=3 582 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,0,1,1,0,0|1,0,1]=4 583 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,0,1,1,0,0|2,0,0]=4 584 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,1,1,0,0|1,0,1]=4 585 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,1,1,0,0|1,0,1]=4 586 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,1,1,0,0|0,0,2]=4 587 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,1,1,0,0|1,0,1]=4 588 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,1,1,0,0|0,0,2]=4 589 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,0,1,1,0,0|2,0,0]=4 590 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,1,1,0,0|0,0,2]=4 591 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,1,1,0,0|0,0,0]=2 592 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,1,1,0,0|0,0,2]=4 593 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,0,1,1,0,0|2,0,0]=4 594 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,1,1,0,0|1,0,1]=4 595 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,1,1,0,0|2,0,0]=4 596 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,1,1,0,0|2,0,0]=4 597 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,0,1,1,0,0|1,0,1]=4 598 B8R1.52 CC1(CC=CO1)C=O CNP0595974.0 [0,0,1,1,0,0|0,0,2]=4 599 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,0,0,1,0,1|2,0,0]=4 600 B10R2.25 O=C1C(=O)[C@H]2C=C[C@@H]1C2 CNP0187201.1 [0,0,0,1,0,1|0,0,1]=3 601 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,1,0,1|0,0,2]=4 602 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,1,0,1,0,0|2,0,0]=4 603 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,0,1,0|0,0,0]=2 604 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,0,1,0|1,0,0]=3 605 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,0,1,0|2,0,0]=4 606 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,0,0,0,2,0|2,0,0]=4 607 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,0,1,0,0,1|2,0,0]=4 608 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,0,1,0,0,1|2,0,0]=4 609 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,0,1,0,0,1|2,0,0]=4 610 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,0,1,0,0,1|2,0,0]=4 611 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,1,0,0,1|0,0,0]=2 612 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,1,0,0,1|0,0,2]=4 613 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,0,1,0,0,1|1,0,0]=3 614 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,0,1,0,0,1|0,0,0]=2 615 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,0,1,0,0,1|1,0,0]=3 616 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,0,1,0,0,1|0,1,1]=4 617 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,1,0,0,1|1,0,0]=3 618 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,0,1,0,0,1|0,0,2]=4 619 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,0,1,0,0,1|1,0,1]=4 620 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,0,1,0,0,1|2,0,0]=4 621 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,0,0,1|0,0,1]=3 622 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,0,0,1|0,0,1]=3 623 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,0,0,1|0,0,1]=3 624 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,0,0,1|1,0,0]=3 625 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,0,0,1|1,0,1]=4 626 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,0,0,1|0,0,2]=4 627 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,0,0,1|2,0,0]=4 628 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,0,0,1|2,0,0]=4 629 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,0,0,1|0,0,2]=4 630 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,0,0,1|0,0,1]=3 631 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,0,0,1|1,0,1]=4 632 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,0,0,1|0,0,1]=3 633 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,0,0,1|1,0,0]=3 634 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,0,0,1|1,0,1]=4 635 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,0,0,1|0,0,1]=3 636 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,0,0,1|1,0,0]=3 637 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [1,0,0,0,0,1|1,1,0]=4 638 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,0,0,0,0,1|1,0,1]=4 639 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,0,0,1|1,0,1]=4