0 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [0,0,0,0,0,0|1,1,1]=3 7 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 CC=CSSC(C)C CNP0589450.0 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.4 CC(C)CC#CO CNP0482838.0 [1,0,0,0,0,0|0,0,3]=4 34 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,0,0,0,0|0,0,0]=1 37 B6R0.4 CC(C)CCCO CNP0344466.0 [1,0,0,0,0,0|0,0,2]=3 38 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,0,0,0,0,0|1,1,1]=4 39 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,0,0,0,0|0,0,0]=1 41 B6R0.4 CC(C)CON=O CNP0224607.0 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CC(C)CSC#N CNP0268195.0 [1,0,0,0,0,0|1,1,1]=4 43 B6R0.4 CC(C)NCCN CNP0082470.0 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CC(C)NCCO CNP0141461.0 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 CC(C)OCCO CNP0079907.0 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CCNCC(C)C CNP0165310.0 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 CCSCC(C)C CNP0208462.0 [1,0,0,0,0,0|1,1,1]=4 55 B6R0.4 CNCCC(C)C CNP0254439.0 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|0,0,3]=4 57 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,0,0,0,0|0,0,1]=2 58 B6R0.4 COCCN(C)C CNP0429553.0 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|1,1,1]=4 60 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|1,0,2]=4 82 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|1,1,1]=4 83 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|2,1,0]=4 88 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|1,1,1]=4 89 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|0,0,0]=1 91 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|1,0,0]=2 92 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,1,0]=4 93 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.5 C=CC[C@@H](O)C[C@@H](C)O CNP0069442.4 [0,1,0,0,0,0|3,0,0]=4 101 B8R0.5 C=CC[C@@H](O)C[C@H](C)O CNP0069442.3 [0,1,0,0,0,0|3,0,0]=4 102 B8R0.5 C=CC[C@H](O)C[C@@H](C)O CNP0069442.1 [0,1,0,0,0,0|3,0,0]=4 103 B8R0.5 C=CC[C@H](O)C[C@H](C)O CNP0069442.2 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.5 CC(C)C[C@@H](O)/C=N\O CNP0215536.1 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|1,0,2]=4 110 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,0,0,0,0|3,0,0]=4 112 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,1,0,0,0,0|1,1,1]=4 117 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,1,0,0,0,0|1,0,2]=4 121 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|3,0,0]=4 130 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.21 CC(C)(S)CCOC=O CNP0002927.0 [0,1,0,0,0,0|0,0,0]=1 132 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.21 C[N+](C)(C)CCCC=O CNP0530420.0 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,0,0,0,0|1,0,2]=4 135 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,1,0,0,0,0|3,0,0]=4 136 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,1,0,0,0,0|0,0,2]=3 137 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,1,0,0,0,0|3,0,0]=4 138 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,1,0,0,0,0|3,0,0]=4 139 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,1,0,0,0,0|1,0,2]=4 140 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,1,0,0,0,0|1,0,2]=4 142 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,1,0,0,0,0|0,0,2]=3 148 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,0,0,0,0|0,0,0]=1 149 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,1,0,0,0,0|0,1,2]=4 152 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,1,0,0,0,0|0,1,0]=2 153 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,0,0,0,0|1,0,0]=2 155 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,1,0,0,0,0|1,0,2]=4 161 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.28 C[C@H](O)CCNC(=S)N CNP0153742.1 [0,1,0,0,0,0|2,1,0]=4 166 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,0|1,0,2]=4 170 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,0|0,0,2]=3 171 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,0|1,0,1]=3 176 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|0,0,0]=1 177 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,0,0,1,0,0|1,0,2]=4 178 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|1,0,0]=2 180 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,1,0,0|1,0,2]=4 185 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,1,0,0|1,0,2]=4 189 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,1,0,0|1,0,2]=4 190 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,0|2,1,0]=4 191 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,0|1,0,2]=4 193 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,0,0,1,0,0|1,0,2]=4 196 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,0,0,1,0,0|1,0,2]=4 197 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,0,0,1,0,0|3,0,0]=4 205 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|0,0,2]=4 206 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|0,0,1]=3 207 B5R0.1 C=CCC(C)O CNP0594112.0 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 C=COC(C)C CNP0491165.0 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|0,0,2]=4 210 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|0,0,2]=4 211 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,1]=4 212 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|0,0,2]=4 213 B5R0.1 CC(C)C=NO CNP0180575.0 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.1 CC(C)CC#N CNP0003467.0 [2,0,0,0,0,0|1,0,1]=4 215 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,0,0]=2 216 B5R0.1 CC(C)CCN CNP0107663.0 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,0,0]=2 218 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|0,1,0]=3 219 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|1,0,0]=3 220 B5R0.1 CC(C)N=C=O CNP0495487.0 [2,0,0,0,0,0|1,0,1]=4 221 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|0,0,0]=2 222 B5R0.1 CC(C)ON=N CNP0504626.0 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|1,1,0]=4 224 B5R0.1 CC(S)CCS CNP0003105.0 [2,0,0,0,0,0|1,1,0]=4 225 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|0,0,1]=3 227 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.1 CCSC(C)C CNP0254931.0 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.1 CN(C)CCCl CNP0328789.0 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|1,0,0]=3 234 B5R0.1 CNCC(C)C CNP0273998.0 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|0,0,1]=3 236 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|0,1,1]=4 237 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,0]=3 238 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|1,0,0]=3 239 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|1,0,0]=3 240 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,0,2]=4 241 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,0]=3 242 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.2 C=CCOC=O CNP0541341.0 [2,0,0,0,0,0|0,0,2]=4 244 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 246 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,1]=4 247 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,2]=4 248 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,2]=4 249 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,0]=2 251 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 254 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 255 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,2]=4 256 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,1,1]=4 257 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 258 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|0,0,1]=3 259 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|0,1,1]=4 260 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|0,1,0]=3 261 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|0,0,0]=2 262 B5R0.2 COCCOC CNP0144142.0 [2,0,0,0,0,0|1,0,1]=4 263 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,0]=3 264 B5R0.2 N#CCCC=O CNP0181263.0 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|1,0,1]=4 267 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|1,0,1]=4 268 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|0,0,2]=4 270 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|0,0,0]=2 271 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|0,0,0]=2 272 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|0,0,0]=2 273 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|0,0,0]=2 274 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|0,0,0]=2 275 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|0,0,0]=2 276 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,1,0,0,0,0|0,0,2]=4 277 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|0,0,0]=2 278 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,1,0,0,0,0|0,0,2]=4 279 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|0,0,2]=4 281 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|1,0,0]=3 283 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|0,0,2]=4 286 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.3 CSC(C)CCC#N CNP0577108.0 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [1,1,0,0,0,0|1,0,0]=3 294 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [1,1,0,0,0,0|0,0,2]=4 295 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,1,0,0,0,0|0,0,2]=4 297 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,1,0,0,0,0|0,0,2]=4 298 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,1,0,0,0,0|0,0,2]=4 299 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,1,0,0,0,0|1,0,1]=4 301 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|0,0,0]=2 304 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|1,0,0]=3 307 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|0,0,0]=2 308 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,1,0,0,0,0|0,0,2]=4 309 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|0,0,2]=4 310 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|0,0,0]=2 311 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|0,0,0]=2 312 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|0,0,0]=2 313 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,1,0,0,0,0|1,0,0]=3 315 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,1,0,0,0,0|1,0,0]=3 316 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,1,0,0,0,0|1,0,0]=3 317 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,1,0,0,0,0|1,0,0]=3 318 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,1,0,0,0,0|1,0,0]=3 319 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,1,0,0,0,0|1,0,0]=3 320 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,1,0,0,0,0|1,0,0]=3 321 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.8 C=CCC[N+](C)(C)C CNP0507277.0 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [1,1,0,0,0,0|0,0,2]=4 325 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [1,1,0,0,0,0|0,0,2]=4 326 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.8 COCCC(C)(C)S CNP0210797.0 [1,1,0,0,0,0|0,0,1]=3 328 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,1,0,0,0,0|2,0,0]=4 329 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,1,0,0,0,0|2,0,0]=4 330 B7R0.1 C=CCCCCCC CNP0246919.0 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.1 C=CCCCCCO CNP0075956.0 [1,1,0,0,0,0|2,0,0]=4 332 B7R0.1 CC=CCCCCC CNP0199237.0 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.1 CC=CCSCCC CNP0536250.0 [1,1,0,0,0,0|2,0,0]=4 334 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|1,0,1]=4 335 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,1,0,0,0,0|1,0,0]=3 338 B7R0.1 CCCCC=CCO CNP0191159.0 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.1 CCCCCCC=O CNP0243745.0 [1,1,0,0,0,0|1,0,0]=3 340 B7R0.1 CCCCCOC=O CNP0294368.0 [1,1,0,0,0,0|0,0,0]=2 341 B7R0.1 CCCCCOCC CNP0520137.0 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.1 CCCCCON=O CNP0511882.0 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,1,0,0,0,0|1,1,0]=4 344 B7R0.1 CCCCOCCO CNP0080154.0 [1,1,0,0,0,0|0,0,2]=4 345 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,1,0,0,0,0|1,1,0]=4 346 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|1,0,1]=4 350 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,2,0,0,0,0|1,0,1]=4 351 B9R0.6 C[C@@H](O)[C@@H](O)[C@@H](O)CC=O CNP0169464.3 [0,2,0,0,0,0|2,0,0]=4 352 B9R0.6 C[C@@H](O)[C@@H](O)[C@H](O)CC=O CNP0169464.2 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.6 C[C@@H](O)[C@H](O)[C@@H](O)CC=O CNP0169464.1 [0,2,0,0,0,0|2,0,0]=4 354 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](N)CC=O CNP0343704.1 [0,2,0,0,0,0|2,0,0]=4 355 B9R0.44 CC(CC=O)CC(C)(C)C CNP0185599.0 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,2,0,0,0,0|1,0,0]=3 357 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,2,0,0,0,0|0,0,0]=2 359 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,2,0,0,0,0|1,0,0]=3 361 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,2,0,0,0,0|1,0,0]=3 366 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [0,2,0,0,0,0|2,0,0]=4 368 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.1 CC(=O)OCC=C(C)CO CNP0248303.0 [0,2,0,0,0,0|0,0,2]=4 370 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,2,0,0,0,0|1,0,0]=3 371 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,2,0,0,0,0|1,0,0]=3 372 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|0,0,0]=2 374 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,2,0,0,0,0|1,0,0]=3 375 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.1 CNC(C)CCC=C(C)C CNP0500173.0 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,2,0,0,0,0|1,0,0]=3 378 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,2,0,0,0,0|1,0,0]=3 380 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,2,0,0,0,0|1,1,0]=4 381 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|1,0,1]=4 382 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [0,2,0,0,0,0|0,0,1]=3 385 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,2,0,0,0,0|1,0,0]=3 391 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,2,0,0,0,0|1,0,1]=4 393 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,2,0,0,0,0|1,0,1]=4 394 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,2,0,0,0,0|2,0,0]=4 398 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,2,0,0,0,0|2,0,0]=4 402 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,2,0,0,0,0|2,0,0]=4 405 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,2,0,0,0,0|2,0,0]=4 407 B9R0.42 C[C@@H](O)[C@@H](O)C[C@@H](O)C=O CNP0164103.1 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.42 C[C@H](O)[C@@H](O)C[C@H](O)C=O CNP0164103.2 [0,2,0,0,0,0|2,0,0]=4 409 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [0,2,0,0,0,0|1,0,0]=3 410 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,2,0,0,0,0|0,0,0]=2 411 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [0,2,0,0,0,0|1,0,0]=3 412 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [0,2,0,0,0,0|1,0,0]=3 414 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [0,2,0,0,0,0|1,0,0]=3 415 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [0,2,0,0,0,0|1,0,0]=3 416 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [0,2,0,0,0,0|1,0,0]=3 417 B9R0.56 CN(C)CCOP(=O)(O)O CNP0082860.0 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CNP0082937.0 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.56 C[N+](C)(C)CCOC(=N)[O-] CNP0578103.0 [0,2,0,0,0,0|1,0,1]=4 421 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [0,2,0,0,0,0|1,0,0]=3 423 B9R0.56 C[N+](C)CCOP(=O)([O-])O CNP0546607.0 [0,2,0,0,0,0|2,0,0]=4 424 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|0,0,2]=4 425 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|0,0,2]=4 426 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|0,0,2]=4 427 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,0,0]=2 428 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|0,0,2]=4 430 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 431 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 432 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|1,0,0]=3 433 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|0,0,0]=2 435 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|1,0,0]=3 436 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|0,0,0]=2 437 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,1,0,0|1,1,0]=4 438 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|1,0,1]=4 439 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|2,0,0]=4 441 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 446 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.3 CC1CCOCO1 CNP0130543.0 [1,0,0,1,0,0|1,0,1]=4 448 B7R1.3 CN1CCOCC1 CNP0225764.0 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.14 CC1(CCCC1)C CNP0125073.0 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.14 CC1(CCSS1)C CNP0245767.0 [1,0,0,1,0,0|0,2,0]=4 454 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.1 O=NN1CCCC1 CNP0169288.0 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|0,0,2]=4 458 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|0,0,2]=4 459 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|2,0,0]=4 462 B7R1.4 CN1CCOC1=S CNP0208839.0 [1,0,0,1,0,0|1,1,0]=4 463 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|1,0,0]=3 464 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|0,0,0]=2 465 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|2,0,0]=4 466 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|1,0,0]=3 467 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|0,0,0]=2 468 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|1,0,0]=3 470 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|1,1,0]=4 472 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 473 B9R1.22 CC1CC(C(N1)C=O)O CNP0538839.0 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,1,0,1,0,0|1,1,0]=4 476 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,1,0,1,0,0|1,1,0]=4 477 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.38 CC1=CC(=O)C(C1)(C)C CNP0143665.0 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,1,0,1,0,0|1,0,1]=4 481 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,1,0,1,0,0|1,0,0]=3 483 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,1,0,0|0,0,0]=2 487 B9R1.66 C[C@H]1CC=CC(C1)(C)C CNP0096572.1 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,1,0,0|0,0,0]=2 489 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,1,0,1,0,0|0,0,2]=4 492 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.11 CCC(C)C1C=COC1 CNP0612000.0 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,1,0,1,0,0|0,0,0]=2 502 B9R1.202 CCC1(CCSC1=O)C CNP0109603.0 [0,1,0,1,0,0|0,1,0]=3 503 B9R1.202 COC1(SCCC1=O)C CNP0064868.0 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.202 O=C1OCC[C@@]1(O)CO CNP0229397.1 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.6 CC(C)C1CC=CCC1 CNP0550039.0 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.24 CC=C1CCCC1(C)C CNP0330469.0 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.40 CC1(OCOC[C@H]1O)C CNP0328509.1 [0,1,0,1,0,0|0,0,2]=4 509 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,1,0,1,0,0|0,0,1]=3 512 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,1,0,1,0,0|1,0,1]=4 514 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,1,0,1,0,0|1,0,1]=4 515 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,1,0,0|0,0,2]=4 528 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|0,0,0]=2 530 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.106 CC1(C(=O)OOC1=O)C CNP0441420.0 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.10 CC1(C=CC(CC1)O)C CNP0533712.0 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.133 CC1(OC[C@@H](O1)C=O)C CNP0250555.1 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.161 C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-] CNP0427665.1 [0,1,0,1,0,0|2,0,0]=4 546 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|1,0,0]=3 547 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|2,0,0]=4 548 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|1,0,0]=3 549 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,2,0,0|2,0,0]=4