0 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,0,0,0,0,0|0,0,4]=4 13 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,0,0,0,0|0,0,0]=0 22 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,0,0,0,0,0|0,1,0]=1 23 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,0,0,0,0|0,0,0]=0 25 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,0,0,0,0|1,0,1]=2 27 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,0,0,0,0,0|1,1,1]=3 28 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,0,0,0,0|1,0,1]=2 30 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,0,0,0,0,0|1,1,1]=3 31 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,0,0,0,0,0|2,1,0]=3 32 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,0,0,0,0|1,0,0]=1 45 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,0,0,0,0,0|1,0,1]=2 49 B7R0.4 N=C(N)NCCCO CNP0451152.0 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,0,0,0,0,0|1,0,0]=1 53 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,0,0,0,0,0|1,0,0]=1 56 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,0,0,0,0|1,0,1]=2 58 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,0,0,0,0,0|2,0,2]=4 61 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|0,0,2]=3 66 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.4 CCCCB(O)O CNP0482760.0 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|0,0,0]=1 81 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|0,0,0]=1 83 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|1,0,0]=2 106 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|1,0,1]=3 107 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.6 C#CCCCCO CNP0289179.0 [1,0,0,0,0,0|0,0,3]=4 111 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|1,0,2]=4 112 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.6 C=CCCCC#N CNP0287374.0 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.6 C=CCCCC=C CNP0115869.0 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.6 C=CCOCCO CNP0248950.0 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.6 CC#CCCCO CNP0320046.0 [1,0,0,0,0,0|0,0,3]=4 121 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|0,0,2]=3 122 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,1]=3 123 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|0,0,3]=4 124 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|0,0,3]=4 127 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,0,0,0,0|0,0,3]=4 128 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|0,0,2]=3 129 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|0,0,3]=4 130 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|0,0,3]=4 131 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|0,0,2]=3 132 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|0,0,3]=4 133 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|1,0,2]=4 134 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|0,0,1]=2 135 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|1,0,1]=3 136 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|0,0,0]=1 138 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|0,0,1]=2 141 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|0,1,1]=3 142 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|0,0,2]=3 143 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|1,1,0]=3 147 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|1,1,1]=4 148 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|1,0,0]=2 149 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|1,0,0]=2 150 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,0,1]=3 154 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|1,0,1]=3 156 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|1,1,1]=4 157 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|1,0,1]=3 158 B6R0.6 CNCCCCN CNP0157274.0 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|1,0,1]=3 160 B6R0.6 CSCCCC#N CNP0286857.0 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|1,0,0]=2 162 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|1,0,1]=3 163 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|2,1,0]=4 164 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|1,0,0]=2 165 B6R0.6 NCCCCCN CNP0184259.0 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.6 NCCCCCO CNP0032450.0 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.6 OCCCCCO CNP0201249.0 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.6 OCCNCCO CNP0247543.0 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.6 OCCOCCO CNP0333860.0 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.6 OCCSCCO CNP0335773.0 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [1,0,0,0,0,0|0,0,3]=4 173 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,1,0,0,0,0|0,0,2]=3 174 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,1,0,0,0,0|0,0,2]=3 175 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,0,0,0,0|0,0,2]=3 179 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,0|0,0,1]=2 181 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,0,0,0,0|1,0,0]=2 182 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.5 CCCC(N)NC(=N)N CNP0547045.0 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,1,0,0,0,0|0,0,0]=1 186 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,0,0,0,0|0,0,0]=1 187 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,1,0,0,0,0|0,0,0]=1 189 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,0|1,0,1]=3 192 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,1,0,0,0,0|1,0,0]=2 195 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,1,0,0,0,0|1,0,1]=3 200 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|1,0,0]=2 201 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|0,0,2]=3 202 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|0,0,2]=3 204 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,1,0,0,0,0|1,0,0]=2 206 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|1,0,0]=2 207 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|0,0,0]=1 208 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|0,0,0]=1 209 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|0,1,0]=2 210 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,1,0,0,0,0|0,2,1]=4 211 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,0,0,0,0|1,0,1]=3 212 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,1,0,0,0,0|0,0,2]=3 215 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,0,0,0,0|1,0,0]=2 221 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.6 NCCCN=C(N)NO CNP0498181.0 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|1,0,0]=2 224 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,0,0,0,0|1,0,1]=3 225 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,0,0,0,0|1,0,2]=4 226 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,1,0,0,0,0|1,0,2]=4 227 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,1,0,0,0,0|1,0,1]=3 231 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,0,0,0,0|0,0,1]=2 232 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,0,0,0,0|0,0,3]=4 233 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,0,0,0,0|1,0,1]=3 234 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,0,0,0,0|1,0,1]=3 235 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,0,0,0,0|0,0,1]=2 236 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,0,0,0,0|1,0,1]=3 237 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|0,0,1]=2 238 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,0,0,0,0|1,0,0]=2 241 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|1,0,0]=2 242 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|0,0,0]=1 245 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,0,0,0,0|1,0,0]=2 251 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,1,0,0,0,0|1,0,1]=3 252 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,0,0,0,0|1,0,0]=2 253 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,0,0,0,0|0,0,0]=1 254 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,0,0,0,0|1,0,0]=2 256 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.7 CSCCCNC(=S)N CNP0388226.0 [0,1,0,0,0,0|2,1,0]=4 258 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.7 N=C(N)NCCCCN CNP0572375.0 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.7 N=C(N)NCCCCO CNP0103952.0 [0,1,0,0,0,0|3,0,0]=4 261 B8R0.7 NC(=NCCCCO)N CNP0537615.0 [0,1,0,0,0,0|3,0,0]=4 262 B8R0.7 NC(=S)NCCCCO CNP0407776.0 [0,1,0,0,0,0|2,1,0]=4 263 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,0,0,0,0|0,0,0]=1 264 B8R0.7 NCCCCN=C(N)N CNP0307539.0 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.7 NN=CNCCC(=O)O CNP0017951.0 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,0,0,0,0|0,0,0]=1 268 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,1,0,0,0,0|0,0,1]=2 269 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,1,0,0,0,0|0,0,2]=3 270 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,1,0,0,0,0|0,0,2]=3 271 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,1,0,0,0,0|0,0,2]=3 272 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,1,0,0,0,0|0,0,2]=3 274 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [0,1,0,0,0,0|0,0,3]=4 275 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [0,1,0,0,0,0|1,0,2]=4 276 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,1,0,0,0,0|0,0,2]=3 277 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,1,0,0,0,0|2,0,1]=4 280 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,1,0,0,0,0|0,0,3]=4 281 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,0,0,0,0|1,0,2]=4 282 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,1,0,0,0,0|0,0,2]=3 283 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,0,0,0,0|1,0,1]=3 284 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|0,0,1]=2 285 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,0,0,0,0|1,0,2]=4 286 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,0,0,0,0|1,0,2]=4 287 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,1,0,0,0,0|1,0,1]=3 288 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,1,0,0,0,0|0,0,0]=1 290 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,1,0,0,0,0|0,0,0]=1 291 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,1,0,0,0,0|1,0,0]=2 292 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,1,0,0,0,0|0,0,0]=1 293 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,1,0,0,0,0|0,0,0]=1 295 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,1,0,0,0,0|0,0,0]=1 296 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,1,0,0,0,0|1,0,2]=4 298 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,1,0,0,0,0|1,0,2]=4 299 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,0,0,0,0|2,0,1]=4 300 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,0,0,0,0|1,0,1]=3 301 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,1,0,0,0,0|1,0,0]=2 302 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,1,0,0,0,0|1,0,0]=2 303 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,1,0,0,0,0|1,0,0]=2 304 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,1,0,0,0,0|2,0,0]=3 306 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,1,0,0,0,0|2,0,0]=3 307 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,1,0,0,0,0|1,0,0]=2 308 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,1,0,0,0,0|2,0,1]=4 309 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,1,0,0,0,0|2,0,0]=3 311 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,1,0,0,0,0|2,0,0]=3 313 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,1,0,0,0,0|1,0,0]=2 314 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,1,0,0,0,0|1,0,1]=3 315 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,1,0,0,0,0|1,0,1]=3 316 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,1,0,0,0,0|1,0,0]=2 317 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,1,0,0,0,0|1,0,0]=2 318 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,1,0,0,0,0|1,0,0]=2 319 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,1,0,0,0,0|2,0,0]=3 321 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [0,1,0,0,0,0|1,0,2]=4 322 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [0,1,0,0,0,0|1,0,2]=4 323 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,1,0,0,0,0|1,0,1]=3 324 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,1,0,0,0,0|1,0,0]=2 325 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [0,1,0,0,0,0|3,0,0]=4 326 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,1,0,0,0,0|1,0,0]=2 327 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,0,0,0,0|1,0,2]=4 328 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,1,0,0,0,0|0,0,2]=3 329 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,1,0,0,0,0|0,0,2]=3 330 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,0|1,0,2]=4 334 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,1,0,0,0,0|0,0,2]=3 335 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|1,0,1]=3 336 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|0,0,1]=2 337 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,0|1,0,2]=4 338 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|1,0,1]=3 340 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,0|1,0,2]=4 341 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,0|1,0,0]=2 342 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,1,0,0,0,0|1,0,1]=3 344 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,1,0,0,0,0|0,0,2]=3 345 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,0|0,0,2]=3 347 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,0,0,0,0|0,0,0]=1 349 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,1,0,0,0,0|0,0,2]=3 350 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,0|0,0,2]=3 351 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,0|0,0,0]=1 352 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,1,0,0,0,0|2,1,0]=4 353 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,1,0,0,0,0|2,1,0]=4 354 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,0|1,0,1]=3 358 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [0,1,0,0,0,0|1,0,1]=3 359 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,1,0,0,0,0|1,0,1]=3 360 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,0,0,0,0|1,0,0]=2 362 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,0,0,0,0|1,0,0]=2 363 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,0,0,0,0|1,0,0]=2 364 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,1,0,0,0,0|1,0,1]=3 365 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,1,0,0,0,0|1,0,1]=3 366 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,0,0,0,0|1,0,0]=2 368 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,1,0,0,0,0|1,0,2]=4 369 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [0,1,0,0,0,0|1,1,1]=4 370 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.21 CNCCOP(=O)(O)O CNP0449084.0 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.21 C[N+]CCOP(=O)([O-])O CNP0595348.0 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,0,0,0,0|1,0,1]=3 375 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,1,0,0,0,0|2,0,0]=3 376 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,1,0,0,0,0|1,0,2]=4 380 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,1,0,0,0,0|1,0,2]=4 381 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,0,0,0,0|1,0,1]=3 382 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,0,0,0,0|0,0,1]=2 383 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,0,0,0,0|1,0,0]=2 384 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,1,0,0,0,0|1,0,1]=3 386 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,0,0,0,0|2,0,0]=3 387 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,0,0,0,0|2,0,0]=3 388 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,1,0,0,0,0|2,1,0]=4 390 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,0,0,0,0|0,0,2]=3 391 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,0,0,0,0|1,0,0]=2 392 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,0,0,0,0|0,0,0]=1 393 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,0,0,0,0|0,1,0]=2 394 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,1,0,0,0,0|1,0,1]=3 398 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,1,0,0,0,0|0,0,2]=3 399 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,0,0,0,0|1,0,0]=2 401 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,0,0,0,0|0,0,0]=1 402 B8R0.28 C[C@H](O)CCNC(=S)N CNP0153742.1 [0,1,0,0,0,0|2,1,0]=4 403 B8R0.28 N=C(N)NCCC(=O)O CNP0480617.0 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.28 NC(=NCCC(=O)O)N CNP0139818.0 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,1,0,0,0,0|1,0,1]=3 408 B8R0.28 O=C(O)CCO[N+](=O)[O-] CNP0488226.0 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,1,0,0,0,0|2,0,1]=4 412 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,0,0,1,0,0|2,0,1]=4 413 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,0,0,1,0,0|1,0,1]=3 414 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,0,0,1,0,0|0,0,2]=3 415 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,0,0,1,0,0|1,0,1]=3 416 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,1,0,0|0,0,2]=3 417 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,0,1,0,0|0,0,0]=1 418 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,0,0,1,0,0|2,0,1]=4 419 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,0,0,1,0,0|2,0,1]=4 420 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,0,0,1,0,0|2,1,0]=4 421 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,0,1,0,0|0,0,0]=1 422 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,0|2,0,0]=3 423 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,0,0,1,0,0|2,1,0]=4 424 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,0,0,1,0,0|2,0,0]=3 425 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,0,0,1,0,0|2,0,0]=3 426 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,0,1,0,0|3,0,0]=4 427 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,0,0,1,0,0|1,0,0]=2 428 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,1,0,0|1,0,2]=4 429 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,0,1,0,0|2,0,0]=3 430 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,0,0,1,0,0|2,0,0]=3 431 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,0,0,1,0,0|1,0,0]=2 432 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,0,0,1,0,0|1,0,0]=2 433 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,0,0,1,0,0|1,0,0]=2 434 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [0,0,0,1,0,0|2,0,1]=4 435 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,0,0,1,0,0|2,0,1]=4 436 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,0|1,0,1]=3 437 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,1,0,0|2,0,1]=4 438 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,0|2,0,1]=4 439 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,1,0,0|2,0,0]=3 440 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,0|1,0,2]=4 441 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,0|1,0,1]=3 442 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,0,0,1,0,0|1,0,2]=4 443 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,0|1,0,2]=4 444 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|2,0,0]=3 445 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,0|0,0,2]=3 446 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|1,0,0]=2 447 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,0|0,0,0]=1 448 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,1,0,0|2,0,1]=4 449 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,1,0,0|1,0,1]=3 450 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,0,0,1,0,0|2,0,1]=4 451 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,1,0,0|2,0,1]=4 452 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,1,0,0|1,0,1]=3 453 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,0,0,1,0,0|2,0,1]=4 454 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,0|0,0,2]=3 455 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|1,0,0]=2 456 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,0|0,0,0]=1 457 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,1,0,0|1,0,1]=3 458 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,1,0,0|1,0,1]=3 459 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,0|1,1,0]=3 460 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,1,0,0|2,0,1]=4 461 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,1,0,0|2,0,1]=4 462 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,1,0,0|1,0,1]=3 463 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,1,0,0|2,0,1]=4 464 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,1,0,0|2,0,0]=3 465 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,0,0,1,0,0|3,0,0]=4 466 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,0,0,1,0,0|2,0,1]=4 467 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,0,0,1,0,0|1,0,1]=3 468 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,0,1,0,0|2,0,0]=3 469 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,0,1,0,0|2,0,0]=3 470 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,1,0,0|1,0,1]=3 471 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,0,0,1,0,0|1,0,2]=4 472 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,0,0,1,0,0|1,0,2]=4 473 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,0,1,0,0|0,0,0]=1 474 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,0,1,0,0|1,0,0]=2 475 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,0,0,1,0,0|2,0,0]=3 476 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,0,0,1,0,0|2,0,0]=3 477 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,1,0,0|0,0,2]=3 478 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,0,1,0,0|1,0,1]=3 479 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,0,1,0,0|1,0,0]=2 480 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,0,1,0,0|1,0,0]=2 481 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,0,0,1,0,0|2,0,0]=3 482 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,0,0,1,0,0|2,0,0]=3 483 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,0,1,0,0|1,0,0]=2 484 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,1,0,0|1,0,0]=2 485 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,0,1,0,0|1,0,0]=2 486 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,0,0,1,0,0|2,0,0]=3 487 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,0,0,1,0,0|2,0,0]=3 488 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,0,0,1,0,0|2,0,1]=4 489 B8R1.7 S=C(S)N1CCCC1 CNP0337104.0 [0,0,0,1,0,0|1,2,0]=4 490 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,0,0,1,0,0|1,0,1]=3 491 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,0,0,1,0,0|2,0,1]=4 492 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,0,0,1,0,0|0,0,2]=3 493 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,1]=4 494 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|2,0,0]=3 495 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|2,0,0]=3 496 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|1,0,2]=4 497 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|1,0,0]=2 498 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|1,0,0]=2 499 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|0,0,0]=1 500 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|2,0,0]=3 501 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|1,0,0]=2 502 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,0|2,0,0]=3 503 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|2,0,1]=4 504 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,0,0,1,0,0|2,0,1]=4 505 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,0,1,0,0|2,0,0]=3 506 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,0,0,1,0,0|2,0,1]=4 507 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,0,0,1,0,0|1,0,1]=3 508 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [0,0,0,1,0,0|2,0,1]=4 509 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [0,0,0,1,0,0|2,0,1]=4 510 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 511 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|2,0,0]=4 512 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 513 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 514 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|2,0,0]=4 515 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|2,0,0]=4 516 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,2]=4 517 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 518 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,0]=3 519 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 520 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 521 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 522 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 523 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 524 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 525 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 526 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|2,0,0]=4 527 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|2,0,0]=4 528 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 529 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 530 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|2,0,0]=4 531 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|2,0,0]=4 532 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 533 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 534 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 535 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|2,0,0]=4 536 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 537 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|2,0,0]=4 538 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 539 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 540 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 541 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 542 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 543 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 544 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 545 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 546 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 547 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|1,0,0]=3 548 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,0]=3 549 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|2,0,0]=4 550 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|1,0,1]=4 551 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 552 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,0,2]=4 553 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,1]=3 554 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|0,0,2]=4 555 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|1,0,1]=4 556 B5R0.2 CC#CCCO CNP0515871.0 [2,0,0,0,0,0|0,0,2]=4 557 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 558 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,1]=4 559 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,0,2]=4 560 B5R0.2 CCC#CCO CNP0076027.0 [2,0,0,0,0,0|0,0,2]=4 561 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,2]=4 562 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,0,2]=4 563 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,1]=3 564 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,1]=4 565 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 566 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,0]=2 567 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,0]=3 568 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,1]=3 569 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,0]=3 570 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,0]=3 571 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,0]=2 572 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,1,0]=3 573 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 574 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 575 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,1]=4 576 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,0,0]=3 577 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,0,0]=3 578 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|1,0,1]=4 579 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 580 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,0,0]=3 581 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,0]=3 582 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|2,0,0]=4 583 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,0]=3 584 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|2,0,0]=4 585 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|1,0,0]=3 586 B5R0.2 N#CCCC=O CNP0181263.0 [2,0,0,0,0,0|1,0,1]=4 587 B5R0.2 N#CCCCO CNP0358912.0 [2,0,0,0,0,0|1,0,1]=4 588 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,0]=3 589 B5R0.2 NCCCCN CNP0116270.0 [2,0,0,0,0,0|2,0,0]=4 590 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|1,0,0]=3 591 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|1,0,1]=4 592 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|1,0,0]=3 593 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|1,0,0]=3 594 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|1,0,0]=3 595 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|1,0,1]=4 596 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,1,0,0,0,0|0,0,2]=4 597 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|0,0,2]=4 599 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|0,0,2]=4 600 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|0,0,1]=3 601 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|1,0,0]=3 602 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|0,0,0]=2 603 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|0,0,0]=2 607 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|1,0,0]=3 609 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|0,0,0]=2 610 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,0]=3 615 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|1,0,0]=3 616 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|1,0,0]=3 619 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|1,0,0]=3 621 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|1,0,0]=3 622 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,0]=3 624 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|0,0,2]=4 625 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,0]=3 628 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|0,0,0]=2 629 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|1,0,1]=4 630 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|0,0,2]=4 631 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|1,0,1]=4 632 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,0]=3 637 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,1,0,0,0,0|1,0,0]=3 638 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,1,0,0,0,0|1,0,1]=4 639 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|1,0,1]=4 640 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|1,0,0]=3 641 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,1,0,0,0,0|0,0,2]=4 642 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,1,0,0,0,0|0,0,2]=4 643 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,1,0,0,0,0|0,0,2]=4 647 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,1,0,0,0,0|0,0,2]=4 648 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,1,0,0,0,0|0,0,2]=4 649 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|0,0,2]=4 650 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|0,0,2]=4 651 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|1,0,1]=4 652 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|1,0,1]=4 653 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|0,0,1]=3 654 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|1,0,0]=3 655 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|1,0,0]=3 656 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|1,0,0]=3 657 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|0,0,0]=2 658 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|0,0,0]=2 659 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|1,0,0]=3 660 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|1,0,0]=3 661 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|1,0,0]=3 662 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|0,0,0]=2 663 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|1,0,0]=3 664 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|0,0,0]=2 665 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|0,0,0]=2 666 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,1,0,0,0,0|2,0,0]=4 667 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|1,0,0]=3 668 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|1,0,0]=3 669 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|1,0,0]=3 670 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|1,0,0]=3 671 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,0]=3 672 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,0]=3 673 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|1,0,0]=3 674 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,1,0,0,0,0|1,0,1]=4 675 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,1,0,0,0,0|1,0,1]=4 676 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,1,0,0,0,0|2,0,0]=4 677 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|1,0,0]=3 678 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|1,0,0]=3 679 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,1,0,0,0,0|2,0,0]=4 680 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,1,0,0,0,0|1,0,1]=4 681 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|1,0,0]=3 682 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|1,0,0]=3 683 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|1,0,0]=3 684 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,1,0,0,0,0|2,0,0]=4 688 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,1,0,0,0,0|1,0,1]=4 689 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|1,0,0]=3 690 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|1,0,0]=3 691 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,1,0,0,0,0|2,0,0]=4 692 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|1,0,1]=4 693 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|1,0,0]=3 694 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,1,0,0,0,0|1,0,1]=4 695 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,1,0,0,0,0|0,0,2]=4 696 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,1,0,0,0,0|1,0,1]=4 697 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,1,0,0,0,0|0,0,1]=3 698 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,1,0,0,0,0|0,0,2]=4 699 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,1,0,0,0,0|0,0,2]=4 700 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|1,0,0]=3 701 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,1,0,0,0,0|1,0,1]=4 703 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|2,0,0]=4 705 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|0,0,2]=4 706 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|1,0,0]=3 707 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|1,0,0]=3 708 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|0,0,0]=2 709 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,1,0,0,0,0|1,0,0]=3 710 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,1,0,0,0,0|0,0,0]=2 711 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,1,0,0,0,0|1,0,1]=4 712 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,1,0,0,0,0|1,0,0]=3 713 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,1,0,0,0,0|1,0,0]=3 714 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,1,0,0,0,0|1,0,1]=4 715 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,1,0,0,0,0|1,0,1]=4 716 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,1,0,0,0,0|1,0,0]=3 717 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,1,0,0,0,0|1,0,0]=3 718 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [1,1,0,0,0,0|1,0,1]=4 719 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,1,0,0,0,0|1,0,1]=4 720 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [1,1,0,0,0,0|2,0,0]=4 721 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [1,1,0,0,0,0|1,0,0]=3 722 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [1,1,0,0,0,0|1,0,0]=3 723 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [1,1,0,0,0,0|2,0,0]=4 725 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [1,1,0,0,0,0|2,0,0]=4 726 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.8 NCCCS(=O)(=O)O CNP0214317.0 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,1,0,0,0,0|1,0,1]=4 730 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,1,0,0,0,0|1,0,1]=4 731 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,1,0,0,0,0|1,0,1]=4 732 B7R0.1 C=CCCCCC=C CNP0118215.0 [1,1,0,0,0,0|1,0,1]=4 733 B7R0.1 C=CCCCCCC CNP0246919.0 [1,1,0,0,0,0|1,0,0]=3 734 B7R0.1 C=CCCCCCO CNP0075956.0 [1,1,0,0,0,0|1,0,0]=3 735 B7R0.1 C=CCSSCCC CNP0170059.0 [1,1,0,0,0,0|2,0,0]=4 736 B7R0.1 CC=CCCCCC CNP0199237.0 [1,1,0,0,0,0|1,0,0]=3 737 B7R0.1 CC=CCSCCC CNP0536250.0 [1,1,0,0,0,0|1,0,1]=4 738 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|0,0,1]=3 739 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|1,0,1]=4 740 B7R0.1 CCC=CCCCO CNP0003503.0 [1,1,0,0,0,0|0,0,2]=4 741 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,1,0,0,0,0|0,0,2]=4 742 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,1,0,0,0,0|0,0,1]=3 743 B7R0.1 CCCC=CCCO CNP0287313.0 [1,1,0,0,0,0|0,0,2]=4 744 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,1,0,0,0,0|0,0,1]=3 745 B7R0.1 CCCCC=CCO CNP0191159.0 [1,1,0,0,0,0|0,0,1]=3 746 B7R0.1 CCCCCCC#N CNP0186663.0 [1,1,0,0,0,0|1,0,1]=4 747 B7R0.1 CCCCCCC=O CNP0243745.0 [1,1,0,0,0,0|0,0,0]=2 748 B7R0.1 CCCCCCCC CNP0286567.0 [1,1,0,0,0,0|1,0,1]=4 749 B7R0.1 CCCCCCCN CNP0186919.0 [1,1,0,0,0,0|1,0,1]=4 750 B7R0.1 CCCCCCCO CNP0329737.0 [1,1,0,0,0,0|0,0,1]=3 751 B7R0.1 CCCCCCNC CNP0413437.0 [1,1,0,0,0,0|1,0,1]=4 752 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,1,0,0,0,0|0,1,1]=4 753 B7R0.1 CCCCCOC=O CNP0294368.0 [1,1,0,0,0,0|0,0,0]=2 754 B7R0.1 CCCCCOCC CNP0520137.0 [1,1,0,0,0,0|1,0,1]=4 755 B7R0.1 CCCCCON=O CNP0511882.0 [1,1,0,0,0,0|1,0,0]=3 756 B7R0.1 CCCCCSSC CNP0201479.0 [1,1,0,0,0,0|1,1,0]=4 757 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,1,0,0,0,0|0,1,1]=4 758 B7R0.1 CCCCNCCO CNP0185911.0 [1,1,0,0,0,0|0,0,1]=3 759 B7R0.1 CCCCOCCO CNP0080154.0 [1,1,0,0,0,0|0,0,1]=3 760 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,1,0,0,0,0|0,1,1]=4 761 B7R0.1 CCNCCCCN CNP0107714.0 [1,1,0,0,0,0|1,0,1]=4 762 B7R0.1 CNCCCCCN CNP0390055.0 [1,1,0,0,0,0|1,0,1]=4 763 B7R0.1 CNCCCCNC CNP0145070.0 [1,1,0,0,0,0|2,0,0]=4 764 B7R0.1 COCCOCCO CNP0610336.0 [1,1,0,0,0,0|1,0,1]=4 765 B7R0.1 CSCCCC=NO CNP0610383.0 [1,1,0,0,0,0|1,0,0]=3 766 B7R0.1 CSCCCCC#N CNP0183103.0 [1,1,0,0,0,0|1,0,1]=4 767 B7R0.1 NCCCCCCN CNP0230906.0 [1,1,0,0,0,0|1,0,1]=4 768 B7R0.1 NCCCCCCO CNP0568466.0 [1,1,0,0,0,0|0,0,1]=3 769 B7R0.1 NCCCCCNO CNP0455910.0 [1,1,0,0,0,0|1,0,0]=3 770 B7R0.1 OCCCCCCBr CNP0593386.0 [1,1,0,0,0,0|0,0,1]=3 771 B7R0.1 OCCCCCCO CNP0080019.0 [1,1,0,0,0,0|0,0,1]=3 772 B7R0.1 OCCCCCCS CNP0154751.0 [1,1,0,0,0,0|0,0,1]=3 773 B7R0.1 OCCCSCCO CNP0079791.0 [1,1,0,0,0,0|1,0,1]=4 774 B7R0.1 SCCCCCCS CNP0089642.0 [1,1,0,0,0,0|0,1,1]=4 775 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [1,1,0,0,0,0|0,0,2]=4 776 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|1,0,1]=4 777 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|0,0,0]=2 779 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|1,0,1]=4 780 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|0,0,1]=3 782 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|0,0,1]=3 783 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|0,0,1]=3 784 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|0,0,1]=3 785 B7R0.7 OCCC(O)CCO CNP0198973.0 [1,1,0,0,0,0|1,0,1]=4 786 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,2,0,0,0,0|0,0,1]=3 787 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,2,0,0,0,0|0,0,1]=3 788 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,2,0,0,0,0|1,0,0]=3 789 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,2,0,0,0,0|0,0,0]=2 790 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,2,0,0,0,0|1,0,0]=3 791 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,2,0,0,0,0|0,0,0]=2 792 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,2,0,0,0,0|0,0,1]=3 793 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,2,0,0,0,0|0,0,0]=2 794 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [0,2,0,0,0,0|1,0,0]=3 795 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,2,0,0,0,0|0,0,0]=2 796 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,2,0,0,0,0|0,0,0]=2 797 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,2,0,0,0,0|0,0,1]=3 798 B9R0.6 CC#C[C@@H](O)[C@H](N)C(=O)O CNP0185088.1 [0,2,0,0,0,0|0,0,2]=4 799 B9R0.6 CC#C[C@H](O)[C@H](N)C(=O)O CNP0185088.2 [0,2,0,0,0,0|0,0,2]=4 800 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,2,0,0,0,0|0,0,0]=2 801 B9R0.6 CCC[C@@H](O)[C@@H](C)[C@@H](C)O CNP0066149.2 [0,2,0,0,0,0|1,0,1]=4 802 B9R0.6 CCC[C@@H](O)[C@H](C)[C@@H](C)O CNP0066149.1 [0,2,0,0,0,0|1,0,1]=4 803 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,2,0,0,0,0|0,0,0]=2 804 B9R0.6 CCC[C@H](O)[C@@H](C)[C@@H](C)O CNP0066149.3 [0,2,0,0,0,0|1,0,1]=4 805 B9R0.6 CCC[C@H](O)[C@H](C)[C@@H](C)O CNP0066149.4 [0,2,0,0,0,0|1,0,1]=4 806 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,2,0,0,0,0|1,0,0]=3 807 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,2,0,0,0,0|1,0,0]=3 808 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [0,2,0,0,0,0|2,0,0]=4 809 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.23 CC[C@@H](O)[C@@H](O)C[C@H](C)O CNP0579161.1 [0,2,0,0,0,0|1,0,1]=4 812 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,2,0,0,0,0|2,0,0]=4 813 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,2,0,0,0,0|0,0,0]=2 814 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,2,0,0,0,0|1,0,1]=4 816 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,2,0,0,0,0|1,0,1]=4 817 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,2,0,0,0,0|1,0,0]=3 818 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,2,0,0,0,0|0,0,0]=2 820 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,2,0,0,0,0|0,0,0]=2 821 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,2,0,0,0,0|1,0,0]=3 822 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,2,0,0,0,0|1,0,1]=4 823 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,2,0,0,0,0|2,0,0]=4 824 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,2,0,0,0,0|0,0,0]=2 825 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,2,0,0,0,0|0,0,0]=2 826 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,2,0,0,0,0|1,0,1]=4 827 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,2,0,0,0,0|0,0,1]=3 828 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,2,0,0,0,0|0,0,0]=2 829 B9R0.53 NC(CC(=O)O)CC(=O)O CNP0324847.0 [0,2,0,0,0,0|1,0,1]=4 830 B9R0.53 O=C(O)CC(O)CC(=O)O CNP0395942.0 [0,2,0,0,0,0|1,0,1]=4 831 B9R0.58 C[C@@](O)(CCO)CC(=O)O CNP0328110.1 [0,2,0,0,0,0|1,0,0]=3 832 B9R0.58 C[C@](O)(CCO)CC(=O)O CNP0328110.2 [0,2,0,0,0,0|1,0,0]=3 833 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,2,0,0,0,0|2,0,0]=4 834 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [0,2,0,0,0,0|2,0,0]=4 835 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,2,0,0,0,0|1,0,1]=4 836 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,2,0,0,0,0|1,0,1]=4 837 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,2,0,0,0,0|1,0,1]=4 838 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,2,0,0,0,0|1,0,1]=4 839 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,2,0,0,0,0|1,0,1]=4 840 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|2,0,0]=4 841 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,2,0,0,0,0|0,0,0]=2 842 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,2,0,0,0,0|1,0,1]=4 843 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,2,0,0,0,0|1,0,0]=3 844 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,2,0,0,0,0|0,0,1]=3 845 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,2,0,0,0,0|1,0,1]=4 846 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,2,0,0,0,0|0,0,1]=3 847 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,2,0,0,0,0|0,0,0]=2 848 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,2,0,0,0,0|1,0,0]=3 849 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,2,0,0,0,0|1,0,0]=3 850 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,2,0,0,0,0|1,0,1]=4 851 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,2,0,0,0,0|0,0,2]=4 852 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,2,0,0,0,0|0,0,0]=2 853 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,2,0,0,0,0|1,0,0]=3 854 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|0,0,2]=4 856 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|0,0,2]=4 857 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|1,0,0]=3 858 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|0,0,0]=2 859 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|0,0,0]=2 860 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,2,0,0,0,0|1,0,1]=4 861 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,2,0,0,0,0|1,0,1]=4 862 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [0,2,0,0,0,0|1,0,1]=4 863 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,2,0,0,0,0|1,0,1]=4 864 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,2,0,0,0,0|1,0,1]=4 865 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,2,0,0,0,0|0,0,2]=4 866 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|2,0,0]=4 867 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,2,0,0,0,0|1,0,1]=4 868 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,2,0,0,0,0|1,0,0]=3 869 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|0,0,1]=3 870 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,2,0,0,0,0|1,0,0]=3 871 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,2,0,0,0,0|1,0,0]=3 872 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [0,2,0,0,0,0|0,0,2]=4 873 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,2,0,0,0,0|1,0,0]=3 874 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,2,0,0,0,0|0,0,0]=2 875 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,2,0,0,0,0|1,0,0]=3 876 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,2,0,0,0,0|1,0,1]=4 877 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,2,0,0,0,0|1,0,0]=3 878 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,2,0,0,0,0|1,0,0]=3 879 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|2,0,0]=4 880 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|0,0,0]=2 881 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|0,0,2]=4 882 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|0,0,2]=4 883 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,2,0,0,0,0|1,0,1]=4 884 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,2,0,0,0,0|1,0,1]=4 885 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,2,0,0,0,0|1,0,1]=4 886 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,2,0,0,0,0|1,0,0]=3 887 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,2,0,0,0,0|1,0,1]=4 889 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,2,0,0,0,0|1,0,1]=4 890 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,2,0,0,0,0|1,0,1]=4 891 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,2,0,0,0,0|1,0,1]=4 892 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,2,0,0,0,0|1,0,1]=4 893 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,2,0,0,0,0|0,0,1]=3 894 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,2,0,0,0,0|0,0,1]=3 895 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,2,0,0,0,0|1,0,0]=3 896 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,2,0,0,0,0|1,0,0]=3 897 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|1,0,0]=3 898 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,2,0,0,0,0|1,0,0]=3 899 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,2,0,0,0,0|0,0,0]=2 900 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,2,0,0,0,0|1,0,1]=4 901 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,2,0,0,0,0|1,0,1]=4 902 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,2,0,0,0,0|1,0,1]=4 903 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,2,0,0,0,0|0,0,2]=4 904 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,2,0,0,0,0|1,0,1]=4 905 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,2,0,0,0,0|1,0,1]=4 906 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,2,0,0,0,0|1,0,0]=3 907 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,2,0,0,0,0|1,0,1]=4 908 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,2,0,0,0,0|1,0,1]=4 909 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,2,0,0,0,0|1,1,0]=4 910 B9R0.47 C/C=C/SC[C@H](N)C(=O)O CNP0158331.1 [0,2,0,0,0,0|0,0,2]=4 911 B9R0.47 C/C=C\SC[C@H](N)C(=O)O CNP0158331.2 [0,2,0,0,0,0|0,0,2]=4 912 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,2,0,0,0,0|2,0,0]=4 913 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,2,0,0,0,0|1,0,0]=3 914 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [0,2,0,0,0,0|0,0,2]=4 915 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [0,2,0,0,0,0|0,0,2]=4 916 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [0,2,0,0,0,0|1,0,0]=3 917 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,2,0,0,0,0|0,0,1]=3 918 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,2,0,0,0,0|1,0,0]=3 919 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,2,0,0,0,0|0,0,0]=2 920 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,2,0,0,0,0|1,0,1]=4 921 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,2,0,0,0,0|0,0,0]=2 922 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,2,0,0,0,0|0,0,0]=2 923 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,2,0,0,0,0|0,0,1]=3 924 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,2,0,0,0,0|0,0,0]=2 925 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,2,0,0,0,0|0,0,0]=2 926 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,2,0,0,0,0|0,0,0]=2 927 B9R0.47 CCCCC[C@H](O)C(Br)Br CNP0017667.1 [0,2,0,0,0,0|1,0,1]=4 928 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,2,0,0,0,0|0,0,2]=4 929 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,2,0,0,0,0|0,0,2]=4 930 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,2,0,0,0,0|2,0,0]=4 931 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|1,0,0]=3 932 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,2,0,0,0,0|0,0,0]=2 933 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,2,0,0,0,0|0,0,0]=2 934 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,2,0,0,0,0|0,0,0]=2 935 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,2,0,0,0,0|0,0,0]=2 936 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,2,0,0,0,0|0,0,0]=2 937 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,2,0,0,0,0|0,0,0]=2 938 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,2,0,0,0,0|0,0,0]=2 939 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,2,0,0,0,0|0,0,1]=3 940 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,2,0,0,0,0|0,0,0]=2 941 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,2,0,0,0,0|0,0,0]=2 942 B9R0.47 CSCSC[C@H](N)C(=O)O CNP0280822.1 [0,2,0,0,0,0|1,0,0]=3 943 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [0,2,0,0,0,0|0,0,2]=4 944 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,2,0,0,0,0|0,0,1]=3 945 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,2,0,0,0,0|0,0,0]=2 946 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,2,0,0,0,0|1,0,0]=3 947 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,2,0,0,0,0|0,0,0]=2 948 B9R0.47 NCCOC[C@@H](N)C(=O)O CNP0214099.2 [0,2,0,0,0,0|1,0,0]=3 949 B9R0.47 NCCOC[C@H](N)C(=O)O CNP0214099.1 [0,2,0,0,0,0|1,0,0]=3 950 B9R0.47 NCCSC[C@H](N)C(=O)O CNP0297414.1 [0,2,0,0,0,0|1,0,0]=3 951 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,2,0,0,0,0|0,0,0]=2 952 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,2,0,0,0,0|0,0,1]=3 953 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,2,0,0,0,0|0,0,0]=2 954 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [0,2,0,0,0,0|1,0,0]=3 956 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [0,2,0,0,0,0|1,0,0]=3 957 B9R0.47 N[C@H](CC#CCO)C(=O)O CNP0253353.1 [0,2,0,0,0,0|0,0,2]=4 958 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,2,0,0,0,0|0,0,0]=2 959 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,2,0,0,0,0|1,0,0]=3 960 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,2,0,0,0,0|1,0,1]=4 961 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,2,0,0,0,0|1,0,1]=4 962 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,2,0,0,0,0|1,0,0]=3 963 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,2,0,0,0,0|1,0,0]=3 964 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,2,0,0,0,0|1,0,0]=3 965 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,2,0,0,0,0|0,0,2]=4 966 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,2,0,0,0,0|1,0,1]=4 967 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,2,0,0,0,0|0,0,0]=2 968 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,2,0,0,0,0|1,0,1]=4 969 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,2,0,0,0,0|0,0,2]=4 970 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,2,0,0,0,0|1,0,0]=3 971 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|0,0,0]=2 972 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,2,0,0,0,0|1,0,1]=4 973 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|0,0,0]=2 974 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,2,0,0,0,0|1,0,1]=4 975 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,2,0,0,0,0|1,0,0]=3 976 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,2,0,0,0,0|0,0,0]=2 977 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,2,0,0,0,0|1,0,0]=3 978 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,2,0,0,0,0|1,0,0]=3 979 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,2,0,0,0,0|1,0,0]=3 980 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,2,0,0,0,0|0,0,0]=2 981 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,2,0,0,0,0|0,0,1]=3 982 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,2,0,0,0,0|0,0,1]=3 983 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,2,0,0,0,0|0,0,1]=3 984 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,2,0,0,0,0|0,0,1]=3 985 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,2,0,0,0,0|0,0,1]=3 986 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,2,0,0,0,0|0,0,1]=3 987 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,2,0,0,0,0|1,0,1]=4 989 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,2,0,0,0,0|1,0,0]=3 990 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,2,0,0,0,0|1,0,1]=4 991 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,2,0,0,0,0|1,0,0]=3 992 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,2,0,0,0,0|0,0,0]=2 993 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,2,0,0,0,0|0,0,0]=2 994 B9R0.2 CSCCCCNC(=N)S CNP0609247.0 [0,2,0,0,0,0|1,1,0]=4 995 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,2,0,0,0,0|1,1,0]=4 996 B9R0.2 N=C(N)NCCCCCN CNP0326805.0 [0,2,0,0,0,0|2,0,0]=4 997 B9R0.2 NN=CNCCCC(=O)O CNP0018496.0 [0,2,0,0,0,0|1,0,1]=4 998 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,2,0,0,0,0|0,0,0]=2 999 B9R0.38 O=P(O)(O)OCCCCCl CNP0109954.0 [0,2,0,0,0,0|2,0,0]=4 1000 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|1,0,0]=3 1001 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,2,0,0,0,0|1,0,1]=4 1002 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,2,0,0,0,0|0,0,1]=3 1003 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,2,0,0,0,0|1,0,0]=3 1004 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,2,0,0,0,0|0,0,0]=2 1005 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,2,0,0,0,0|0,0,0]=2 1006 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,2,0,0,0,0|0,0,0]=2 1007 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,2,0,0,0,0|0,0,0]=2 1008 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|1,0,1]=4 1009 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,2,0,0,0,0|1,0,1]=4 1010 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|0,0,1]=3 1011 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,2,0,0,0,0|1,0,1]=4 1012 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,2,0,0,0,0|1,0,1]=4 1013 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,2,0,0,0,0|1,0,1]=4 1014 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,2,0,0,0,0|0,0,0]=2 1015 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,2,0,0,0,0|1,0,0]=3 1016 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,2,0,0,0,0|1,0,1]=4 1017 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,2,0,0,0,0|0,0,1]=3 1018 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,2,0,0,0,0|1,0,0]=3 1019 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,2,0,0,0,0|0,0,0]=2 1020 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,2,0,0,0,0|1,0,1]=4 1021 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,2,0,0,0,0|0,0,1]=3 1022 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,2,0,0,0,0|0,0,0]=2 1023 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,2,0,0,0,0|0,0,0]=2 1024 B9R0.55 N=C(N)NCCCC(=O)O CNP0565409.0 [0,2,0,0,0,0|1,0,1]=4 1025 B9R0.55 NC(=NCCCC(=O)O)N CNP0333230.0 [0,2,0,0,0,0|1,0,1]=4 1026 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [0,2,0,0,0,0|1,0,1]=4 1027 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [0,2,0,0,0,0|1,0,1]=4 1028 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [0,2,0,0,0,0|1,0,1]=4 1029 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,2,0,0,0,0|0,0,1]=3 1030 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,2,0,0,0,0|1,0,1]=4 1031 B9R0.3 CCCC[C@H](N)P(=O)(O)O CNP0507860.1 [0,2,0,0,0,0|1,0,0]=3 1032 B9R0.3 CSCC[C@H](N)P(=O)(O)O CNP0564591.1 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,2,0,0,0,0|0,0,2]=4 1034 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,2,0,0,0,0|0,0,1]=3 1035 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [0,2,0,0,0,0|0,0,2]=4 1036 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [0,2,0,0,0,0|0,0,2]=4 1037 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,2,0,0,0,0|0,0,2]=4 1038 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,2,0,0,0,0|0,0,1]=3 1039 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,2,0,0,0,0|0,0,1]=3 1040 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,2,0,0,0,0|1,0,1]=4 1041 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,2,0,0,0,0|1,0,1]=4 1042 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,2,0,0,0,0|1,0,1]=4 1043 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,2,0,0,0,0|1,0,1]=4 1044 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,2,0,0,0,0|0,0,1]=3 1045 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,2,0,0,0,0|0,0,1]=3 1046 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,2,0,0,0,0|0,0,1]=3 1047 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [0,2,0,0,0,0|1,0,1]=4 1048 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,2,0,0,0,0|0,0,0]=2 1049 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,2,0,0,0,0|1,0,0]=3 1050 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,2,0,0,0,0|0,0,2]=4 1051 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,2,0,0,0,0|0,0,2]=4 1052 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,2,0,0,0,0|1,0,1]=4 1053 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,2,0,0,0,0|0,0,0]=2 1054 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,2,0,0,0,0|0,0,0]=2 1055 B9R0.7 CC(S)C(=O)NCC(=O)O CNP0492780.0 [0,2,0,0,0,0|1,0,1]=4 1056 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,2,0,0,0,0|1,0,0]=3 1057 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CNP0524494.1 [0,2,0,0,0,0|1,0,1]=4 1059 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,2,0,0,0,0|0,0,1]=3 1060 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,2,0,0,0,0|0,0,0]=2 1061 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,2,0,0,0,0|0,0,2]=4 1062 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,2,0,0,0,0|1,0,1]=4 1063 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,2,0,0,0,0|1,0,0]=3 1064 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,2,0,0,0,0|1,0,0]=3 1065 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,2,0,0,0,0|1,0,1]=4 1066 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,2,0,0,0,0|1,0,1]=4 1067 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,2,0,0,0,0|1,0,0]=3 1068 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,2,0,0,0,0|1,0,0]=3 1069 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,2,0,0,0,0|1,0,0]=3 1070 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,2,0,0,0,0|1,0,0]=3 1071 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,2,0,0,0,0|1,0,0]=3 1072 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,2,0,0,0,0|1,0,0]=3 1073 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,2,0,0,0,0|1,0,0]=3 1074 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,2,0,0,0,0|1,0,0]=3 1075 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,2,0,0,0,0|1,0,0]=3 1076 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,2,0,0,0,0|1,0,0]=3 1077 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,2,0,0,0,0|1,0,0]=3 1078 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,2,0,0,0,0|1,0,0]=3 1079 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [0,2,0,0,0,0|1,0,1]=4 1080 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [0,2,0,0,0,0|1,0,1]=4 1081 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CNP0595376.1 [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.7 NC(CCC(=O)O)C(=O)[O-] CNP0535517.0 [0,2,0,0,0,0|1,0,1]=4 1083 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,2,0,0,0,0|2,0,0]=4 1084 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,2,0,0,0,0|2,0,0]=4 1085 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,2,0,0,0,0|1,0,1]=4 1086 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,2,0,0,0,0|2,0,0]=4 1087 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,2,0,0,0,0|2,0,0]=4 1088 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,2,0,0,0,0|1,0,1]=4 1089 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [0,2,0,0,0,0|1,0,1]=4 1090 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [0,2,0,0,0,0|1,0,1]=4 1091 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,2,0,0,0,0|2,0,0]=4 1092 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,2,0,0,0,0|0,0,1]=3 1093 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,2,0,0,0,0|1,0,0]=3 1094 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,2,0,0,0,0|1,0,0]=3 1095 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,2,0,0,0,0|0,0,0]=2 1096 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,2,0,0,0,0|0,0,0]=2 1097 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,2,0,0,0,0|0,0,0]=2 1098 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,2,0,0,0,0|0,0,0]=2 1099 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [0,2,0,0,0,0|1,0,0]=3 1100 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,2,0,0,0,0|0,0,2]=4 1101 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,2,0,0,0,0|0,0,2]=4 1102 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,2,0,0,0,0|0,0,2]=4 1103 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,2,0,0,0,0|0,0,2]=4 1104 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,2,0,0,0,0|0,0,1]=3 1105 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,2,0,0,0,0|0,0,2]=4 1106 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,2,0,0,0,0|0,0,2]=4 1107 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,2,0,0,0,0|1,0,1]=4 1108 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,2,0,0,0,0|0,0,1]=3 1109 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,2,0,0,0,0|0,0,0]=2 1110 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,2,0,0,0,0|0,0,0]=2 1111 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,2,0,0,0,0|0,0,0]=2 1112 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,2,0,0,0,0|1,0,0]=3 1113 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,2,0,0,0,0|1,0,0]=3 1114 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,2,0,0,0,0|1,0,0]=3 1115 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,2,0,0,0,0|1,0,1]=4 1116 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,2,0,0,0,0|1,0,1]=4 1117 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,2,0,0,0,0|1,0,0]=3 1118 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,2,0,0,0,0|1,0,0]=3 1119 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,2,0,0,0,0|1,0,1]=4 1120 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,2,0,0,0,0|1,0,0]=3 1121 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,2,0,0,0,0|1,0,1]=4 1122 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,2,0,0,0,0|1,0,1]=4 1123 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,2,0,0,0,0|1,0,0]=3 1124 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,2,0,0,0,0|1,0,0]=3 1125 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [0,2,0,0,0,0|1,0,0]=3 1126 B9R0.43 CCC(CC)COC(=O)C CNP0003350.0 [0,2,0,0,0,0|2,0,0]=4 1127 B9R0.43 O=C(O)CCC(NCl)NCl CNP0080933.0 [0,2,0,0,0,0|2,0,0]=4 1128 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [0,2,0,0,0,0|1,0,0]=3 1129 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,2,0,0,0,0|2,0,0]=4 1130 B9R0.56 C[C@@H](N)CCCC(C)(C)O CNP0355424.2 [0,2,0,0,0,0|1,0,1]=4 1131 B9R0.56 C[C@H](N)CCCC(C)(C)O CNP0355424.1 [0,2,0,0,0,0|1,0,1]=4 1132 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [0,2,0,0,0,0|1,0,0]=3 1133 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CNP0082937.0 [0,2,0,0,0,0|1,0,1]=4 1134 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|1,0,1]=4 1135 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,2]=4 1136 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|1,0,0]=3 1137 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,2]=4 1138 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,0]=3 1139 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,0]=3 1140 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|1,0,1]=4 1141 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|2,0,0]=4 1142 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 1143 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,0]=2 1144 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,1,0,0|1,0,1]=4 1145 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|2,0,0]=4 1146 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,0]=2 1147 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|2,0,0]=4 1148 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|1,0,1]=4 1149 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|2,0,0]=4 1150 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|2,0,0]=4 1151 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [1,0,0,1,0,0|2,0,0]=4 1152 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|2,0,0]=4 1154 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,1]=4 1155 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 1156 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 1157 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,1]=4 1158 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,0]=3 1159 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 1160 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,0]=2 1161 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|2,0,0]=4 1162 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|2,0,0]=4 1163 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,0]=3 1164 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,0]=3 1165 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|1,0,1]=4 1166 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 1167 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|1,0,1]=4 1168 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|1,0,1]=4 1169 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|1,0,1]=4 1170 B7R1.14 CC1(CCCC1)O CNP0579828.0 [1,0,0,1,0,0|1,0,1]=4 1171 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [1,0,0,1,0,0|1,0,1]=4 1172 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 1173 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|1,0,0]=3 1174 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|1,0,0]=3 1175 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|1,0,1]=4 1176 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|1,0,1]=4 1177 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,0,0,1,0,0|1,0,0]=3 1178 B7R1.1 O=NN1CCCC1 CNP0169288.0 [1,0,0,1,0,0|2,0,0]=4 1179 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,1,0,0|1,0,1]=4 1180 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,1,0,0|1,0,1]=4 1181 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,1,0,0|1,0,1]=4 1182 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,1,0,0|1,0,1]=4 1183 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,1,0,0|1,0,1]=4 1184 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|0,0,2]=4 1185 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,0,0]=3 1186 B7R1.4 CC1OCCC1O CNP0002607.0 [1,0,0,1,0,0|1,0,1]=4 1187 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|1,0,0]=3 1188 B7R1.4 CC1SCCC1O CNP0179885.0 [1,0,0,1,0,0|1,0,1]=4 1189 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|1,0,0]=3 1190 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,0,0]=2 1191 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|1,0,1]=4 1192 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|1,0,1]=4 1193 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|0,0,1]=3 1194 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|1,0,0]=3 1195 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,0,0]=3 1196 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,0,0]=2 1197 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|1,0,1]=4 1198 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|1,0,0]=3 1199 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,0,0]=3 1200 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|2,0,0]=4 1201 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|2,0,0]=4 1202 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|2,0,0]=4 1203 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,1,0,0|1,0,1]=4 1204 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,1,0,0|2,0,0]=4 1205 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 1206 B7R1.4 OC1CCCC1O CNP0519159.0 [1,0,0,1,0,0|1,0,1]=4 1207 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|0,1,1]=4 1208 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|0,0,1]=3 1209 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|1,0,1]=4 1210 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|1,0,0]=3 1211 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|0,0,0]=2 1212 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,1,0,1,0,0|0,0,0]=2 1213 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,1,0,1,0,0|0,0,0]=2 1214 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,1,0,1,0,0|1,0,0]=3 1215 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,1,0,1,0,0|1,0,0]=3 1216 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,1,0,1,0,0|1,0,0]=3 1217 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,1,0,1,0,0|1,0,1]=4 1218 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,1,0,1,0,0|0,0,0]=2 1219 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,1,0,1,0,0|0,0,0]=2 1220 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,1,0,1,0,0|0,0,1]=3 1221 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,1,0,1,0,0|0,0,0]=2 1222 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,1,0,1,0,0|0,0,1]=3 1223 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,1,0,0|0,0,0]=2 1224 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,1,0,1,0,0|1,0,0]=3 1225 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,1,0,0|1,0,1]=4 1226 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [0,1,0,1,0,0|1,0,1]=4 1227 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,1,0,1,0,0|1,1,0]=4 1228 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,1,0,1,0,0|1,1,0]=4 1229 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,1,0,0|1,0,1]=4 1230 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,1,0,0|0,0,2]=4 1231 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,1,0,0|0,0,0]=2 1232 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,1,0,0|0,0,2]=4 1233 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,1,0,0|0,0,0]=2 1234 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,1,0,1,0,0|1,0,1]=4 1235 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,1,0,1,0,0|1,0,1]=4 1236 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [0,1,0,1,0,0|1,0,1]=4 1237 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,1,0,1,0,0|0,0,0]=2 1238 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,1,0,1,0,0|0,0,0]=2 1239 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,1,0,1,0,0|0,0,2]=4 1240 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,1,0,0|0,0,0]=2 1241 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,1,0,0|0,0,0]=2 1242 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [0,1,0,1,0,0|1,0,0]=3 1243 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,1,0,1,0,0|0,0,0]=2 1244 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,1,0,1,0,0|1,0,0]=3 1245 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,1,0,1,0,0|1,0,0]=3 1246 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,1,0,1,0,0|0,0,0]=2 1247 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,1,0,1,0,0|1,0,0]=3 1248 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,1,0,1,0,0|1,0,1]=4 1249 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [0,1,0,1,0,0|1,0,0]=3 1250 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,1,0,1,0,0|1,0,0]=3 1251 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,1,0,1,0,0|1,0,0]=3 1252 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [0,1,0,1,0,0|1,0,0]=3 1253 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,1,0,1,0,0|1,0,0]=3 1254 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,1,0,1,0,0|1,0,0]=3 1255 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,1,0,0|1,0,1]=4 1256 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|1,0,0]=3 1257 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|0,0,0]=2 1258 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,1,0,0|1,0,1]=4 1259 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,1,0,0|0,0,1]=3 1260 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,1,0,0|1,0,0]=3 1261 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,1,0,0|2,0,0]=4 1262 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,1,0,0|2,0,0]=4 1263 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,1,0,0|1,0,0]=3 1264 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,1,0,0|2,0,0]=4 1265 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,1,0,1,0,0|1,0,1]=4 1266 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,1,0,1,0,0|1,0,1]=4 1267 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,1,0,0|2,0,0]=4 1268 B9R1.2 CC1=CC(=NO)CCC1 CNP0170779.0 [0,1,0,1,0,0|1,0,1]=4 1269 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|0,0,0]=2 1270 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,1,0,0|1,0,1]=4 1271 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,1,0,1,0,0|0,0,2]=4 1272 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,1,0,1,0,0|0,0,2]=4 1273 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,1,0,0|1,0,0]=3 1274 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,1,0,1,0,0|0,0,2]=4 1275 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,1,0,1,0,0|0,0,2]=4 1276 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,1,0,0|1,0,1]=4 1277 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,1,0,1,0,0|1,0,1]=4 1278 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,1,0,1,0,0|1,0,1]=4 1279 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,1,0,1,0,0|1,0,1]=4 1280 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|0,0,1]=3 1281 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|2,0,0]=4 1282 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|1,0,0]=3 1283 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|0,0,0]=2 1284 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|1,0,0]=3 1285 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,1,0,1,0,0|1,0,1]=4 1286 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,1,0,0|0,0,2]=4 1287 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,1,0,1,0,0|1,0,0]=3 1288 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,1,0,1,0,0|1,0,1]=4 1289 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,1,0,1,0,0|1,0,1]=4 1290 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|2,0,0]=4 1291 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|1,0,0]=3 1292 B9R1.132 CCC1=C(C(=N)CC1)O CNP0002638.0 [0,1,0,1,0,0|1,0,1]=4 1293 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,1,0,1,0,0|0,0,1]=3 1294 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,1,0,0|0,0,1]=3 1295 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,1,0,1,0,0|2,0,0]=4 1296 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,1,0,1,0,0|1,0,1]=4 1297 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,1,0,1,0,0|1,0,1]=4 1298 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,1,0,1,0,0|1,0,0]=3 1299 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,1,0,1,0,0|1,0,0]=3 1300 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [0,1,0,1,0,0|2,0,0]=4 1301 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,1,0,1,0,0|1,0,0]=3 1302 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [0,1,0,1,0,0|1,0,0]=3 1303 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,1,0,1,0,0|1,0,0]=3 1304 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [0,1,0,1,0,0|2,0,0]=4 1305 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [0,1,0,1,0,0|2,0,0]=4 1306 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,1,0,1,0,0|1,0,0]=3 1307 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,1,0,1,0,0|0,0,1]=3 1308 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,1,0,1,0,0|0,0,2]=4 1309 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,1,0,1,0,0|0,0,2]=4 1310 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,1,0,1,0,0|0,0,1]=3 1311 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,1,0,1,0,0|0,0,0]=2 1312 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,1,0,1,0,0|0,0,0]=2 1313 B9R1.6 O=C(O)C1CSSSC1 CNP0303289.0 [0,1,0,1,0,0|2,0,0]=4 1314 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,1,0,1,0,0|0,0,2]=4 1315 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,1,0,1,0,0|0,0,2]=4 1316 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,1,0,1,0,0|0,0,1]=3 1317 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,1,0,1,0,0|0,0,0]=2 1318 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,1,0,1,0,0|0,0,0]=2 1319 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,1,0,1,0,0|1,0,0]=3 1320 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,1,0,1,0,0|1,0,0]=3 1321 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,1,0,1,0,0|0,0,1]=3 1322 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,1,0,1,0,0|0,0,0]=2 1323 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,1,0,1,0,0|0,0,0]=2 1324 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,1,0,1,0,0|1,0,0]=3 1325 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,1,0,1,0,0|0,0,0]=2 1326 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,1,0,1,0,0|1,0,1]=4 1327 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,1,0,1,0,0|0,0,0]=2 1328 B9R1.96 C/C=C/1\CN[C@@H]1C(=O)O CNP0331255.2 [0,1,0,1,0,0|0,0,2]=4 1329 B9R1.96 C/C=C\1/CN[C@@H]1C(=O)O CNP0331255.1 [0,1,0,1,0,0|0,0,2]=4 1330 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,1,0,1,0,0|1,0,1]=4 1331 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,1,0,1,0,0|1,0,1]=4 1332 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,1,0,1,0,0|1,0,0]=3 1333 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,1,0,1,0,0|1,0,1]=4 1334 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,1,0,1,0,0|0,0,1]=3 1335 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,1,0,1,0,0|1,0,1]=4 1336 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,1,0,1,0,0|0,0,0]=2 1337 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,1,0,1,0,0|0,0,2]=4 1338 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,1,0,1,0,0|0,0,0]=2 1339 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,1,0,1,0,0|2,0,0]=4 1340 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,1,0,1,0,0|1,0,0]=3 1341 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,1,0,1,0,0|1,0,1]=4 1342 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,1,0,1,0,0|0,0,0]=2 1343 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,1,0,1,0,0|0,0,2]=4 1344 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,1,0,1,0,0|0,0,0]=2 1345 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,1,0,1,0,0|1,0,0]=3 1346 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,1,0,1,0,0|1,0,0]=3 1347 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,1,0,1,0,0|0,0,2]=4 1348 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,1,0,1,0,0|0,0,0]=2 1349 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,1,0,1,0,0|0,0,0]=2 1350 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,1,0,1,0,0|1,0,0]=3 1351 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,1,0,1,0,0|1,0,0]=3 1352 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,1,0,1,0,0|1,0,1]=4 1353 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,1,0,1,0,0|0,0,0]=2 1354 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,1,0,1,0,0|1,0,0]=3 1355 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,1,0,1,0,0|1,0,1]=4 1356 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,1,0,1,0,0|1,0,0]=3 1357 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,1,0,1,0,0|1,0,1]=4 1358 B9R1.35 O=C(O)[C@@H]1CS[S+](C1)[O-] CNP0513817.2 [0,1,0,1,0,0|2,0,0]=4 1359 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,1,0,1,0,0|1,0,0]=3 1360 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,1,0,1,0,0|1,0,1]=4 1361 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,1,0,1,0,0|1,0,0]=3 1362 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,1,0,1,0,0|1,0,1]=4 1363 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,1,0,1,0,0|1,0,1]=4 1364 B9R1.35 O=C(O)[C@H]1CS[S+](C1)[O-] CNP0513817.3 [0,1,0,1,0,0|2,0,0]=4 1365 B9R1.35 O=C(O)[C@H]1CS[S@+](C1)[O-] CNP0513817.1 [0,1,0,1,0,0|2,0,0]=4 1366 B9R1.35 O=C(O)[C@H]1CS[S@@+](C1)[O-] CNP0513817.4 [0,1,0,1,0,0|2,0,0]=4 1367 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,1,0,1,0,0|1,0,1]=4 1368 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,1,0,1,0,0|1,0,0]=3 1369 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,1,0,1,0,0|1,0,0]=3 1370 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,1,0,1,0,0|1,0,1]=4 1371 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,1,0,1,0,0|1,0,1]=4 1372 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,1,0,1,0,0|1,0,1]=4 1373 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,1,0,1,0,0|1,0,1]=4 1374 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,1,0,1,0,0|0,0,2]=4 1375 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,1,0,1,0,0|0,0,2]=4 1376 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,1,0,1,0,0|0,0,2]=4 1377 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|0,0,2]=4 1378 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|2,0,0]=4 1379 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,1,0,1,0,0|1,0,1]=4 1380 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|0,0,0]=2 1381 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|0,0,0]=2 1382 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|0,0,0]=2 1383 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|0,0,0]=2 1384 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|0,0,2]=4 1385 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|0,0,0]=2 1386 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,1,0,1,0,0|0,0,2]=4 1387 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,1,0,1,0,0|0,0,2]=4 1388 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|0,0,2]=4 1389 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|0,0,2]=4 1390 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,1,0,1,0,0|0,0,2]=4 1391 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,1,0,1,0,0|0,0,0]=2 1392 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,1,0,1,0,0|0,0,0]=2 1393 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,1,0,1,0,0|0,0,0]=2 1394 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,1,0,1,0,0|0,0,0]=2 1395 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,1,0,1,0,0|1,0,1]=4 1396 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,1,0,1,0,0|1,0,0]=3 1397 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,1,0,1,0,0|0,0,0]=2 1398 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,1,0,1,0,0|1,0,0]=3 1399 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [0,1,0,1,0,0|1,0,0]=3 1400 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [0,1,0,1,0,0|0,0,0]=2 1401 B9R1.163 N[C@@]1(CCNC1)C(=O)O CNP0418958.2 [0,1,0,1,0,0|1,0,0]=3 1402 B9R1.163 N[C@@]1(CCSC1)C(=O)O CNP0601612.1 [0,1,0,1,0,0|1,0,0]=3 1403 B9R1.163 N[C@]1(CCNC1)C(=O)O CNP0418958.1 [0,1,0,1,0,0|1,0,0]=3 1404 B9R1.163 N[C@]1(CCSC1)C(=O)O CNP0601612.2 [0,1,0,1,0,0|1,0,0]=3 1405 B9R1.10 C[C@@]1(CC[C@H](CC1)O)O CNP0296660.1 [0,1,0,1,0,0|1,0,1]=4 1406 B9R1.125 C=CC1(CCC(=O)O1)C CNP0341884.0 [0,1,0,1,0,0|0,0,2]=4 1407 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,1,0,0|2,0,0]=4 1408 B9R1.125 CC[C@@]1(CNC(=S)O1)C CNP0282162.1 [0,1,0,1,0,0|1,1,0]=4 1409 B9R1.125 CC[C@]1(CN=C(O1)S)C CNP0535131.1 [0,1,0,1,0,0|1,1,0]=4 1410 B9R1.125 CC[C@]1(CNC(=S)O1)C CNP0282162.2 [0,1,0,1,0,0|1,1,0]=4 1411 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,1,0,1,0,0|1,0,0]=3 1412 B9R1.161 C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-] CNP0427665.1 [0,1,0,1,0,0|1,0,1]=4 1413 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CNP0465575.1 [0,1,0,1,0,0|1,0,1]=4 1414 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CNP0465575.2 [0,1,0,1,0,0|1,0,1]=4 1415 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CNP0465575.3 [0,1,0,1,0,0|1,0,1]=4 1416 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|1,0,0]=3 1417 B9R2.110 OC12CCC(C1)CC2 CNP0551977.0 [0,0,0,2,0,0|1,0,1]=4 1418 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|2,0,0]=4 1419 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|1,0,0]=3 1420 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,2,0,0|2,0,0]=4 1421 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,2,0,0|2,0,0]=4 1422 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,2,0,0|2,0,0]=4 1423 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|1,0,0]=3