0 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 CC(C)CCCO CNP0344466.0 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 CC(C)NCCN CNP0082470.0 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.4 CCCCB(O)O CNP0482760.0 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.4 CCCCC(C)C CNP0312749.0 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,0,0,0,0,0|1,0,2]=3 50 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,0,0,0,0,0|0,0,2]=2 52 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,0,0,0,0,0|0,0,0]=0 53 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,0,0,0,0,0|2,0,1]=3 54 B6R0.4 NCCOB(O)O CNP0548675.0 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.4 NCCOP(O)O CNP0382987.0 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,0,0,0,0,0|1,0,2]=3 57 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,0,0,0,0,0|1,0,0]=1 58 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,0,0,0,0,0|1,0,1]=2 59 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,0,0,0,0,0|1,0,1]=2 60 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|0,0,2]=3 64 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|0,0,2]=3 71 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|0,0,2]=3 80 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|0,1,2]=4 81 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|1,0,1]=3 83 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|0,0,0]=1 86 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|0,0,1]=2 87 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|1,1,1]=4 89 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|0,0,2]=3 90 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,0,0,0,0|1,1,0]=3 91 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.1 CCNC(=S)N CNP0415621.0 [1,0,0,0,0,0|2,1,0]=4 95 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|1,0,0]=2 104 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|1,0,0]=2 107 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|0,0,2]=3 115 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|0,0,0]=1 116 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|1,0,0]=2 121 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|1,0,0]=2 126 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|1,0,0]=2 127 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|1,0,1]=3 131 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.2 C=CCCC#N CNP0248596.0 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.2 C=CCCC=C CNP0079781.0 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|1,0,0]=2 147 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|1,0,1]=3 151 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|1,1,1]=4 153 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,0,0,0,0|0,0,2]=3 166 B5R0.2 N#CCCCO CNP0358912.0 [1,0,0,0,0,0|0,0,3]=4 167 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|0,0,0]=1 168 B5R0.2 NCCCCN CNP0116270.0 [1,0,0,0,0,0|1,0,1]=3 169 B5R0.2 NCCCCO CNP0514594.0 [1,0,0,0,0,0|0,0,1]=2 170 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|1,0,2]=4 171 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,0,0,0,0|1,0,1]=3 172 B5R0.2 OCCCCBr CNP0083982.0 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.2 OCCCCCl CNP0079807.0 [1,0,0,0,0,0|1,0,1]=3 174 B5R0.2 OCCCCO CNP0080008.0 [1,0,0,0,0,0|1,0,1]=3 175 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|3,0,0]=4 176 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,1,0,0,0,0|1,0,1]=3 177 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,0|1,0,2]=4 179 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,0|1,0,0]=2 187 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,1,0,0,0,0|0,0,0]=1 193 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,1,0,0,0,0|0,0,0]=1 194 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,1,0,0,0,0|0,0,0]=1 195 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,1,0,0,0,0|0,0,0]=1 196 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,1,0,0,0,0|1,0,1]=3 198 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|2,0,0]=3 205 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,1,0,0,0,0|1,0,1]=3 207 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|1,0,0]=2 212 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,1,0,0,0,0|0,0,2]=3 222 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,0,0,0,0|1,0,1]=3 223 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,1,0,0,0,0|1,0,0]=2 226 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,1,0,0,0,0|1,0,1]=3 232 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,0,0,0,0|1,0,1]=3 234 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,0,0,0,0|1,0,1]=3 236 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,0,0,0,0|1,0,0]=2 239 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,0,0,0,0|1,1,0]=3 240 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,0,0,0,0|1,0,0]=2 241 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,1,0,0,0,0|2,1,0]=4 244 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,1,0,0,0,0|1,0,0]=2 249 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,1,0,0,0,0|0,0,0]=1 250 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,1,0,0,0,0|1,0,1]=3 253 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,1,0,0,0,0|0,0,1]=2 254 B7R0.4 N=C(N)NCCCO CNP0451152.0 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,0,0,0,0|1,0,0]=2 257 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,1,0,0,0,0|0,0,0]=1 258 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,1,0,0,0,0|0,0,0]=1 259 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [0,1,0,0,0,0|1,0,1]=3 260 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,1,0,0,0,0|1,0,0]=2 261 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,1,0,0,0,0|1,0,0]=2 262 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,1,0,0,0,0|1,0,0]=2 263 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,1,0,0,0,0|1,0,1]=3 266 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,1,0,0,0,0|1,0,1]=3 267 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|0,0,1]=2 269 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|1,0,1]=3 270 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,1,0,0,0,0|1,0,1]=3 271 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,1,0,0,0,0|1,0,2]=4 274 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,1,0,0,0,0|1,0,2]=4 276 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|1,0,2]=4 277 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|2,0,0]=3 281 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|2,0,0]=3 282 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|2,0,0]=3 283 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|1,0,0]=2 284 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|1,0,0]=2 285 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|2,0,0]=3 286 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|2,0,0]=3 287 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|1,0,0]=2 289 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,1,0,0,0,0|2,0,0]=3 290 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|1,0,0]=2 291 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|1,0,0]=2 292 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|3,0,0]=4 293 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,1,0,0,0,0|2,0,0]=3 295 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,1,0,0,0,0|2,0,0]=3 296 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,1,0,0,0,0|2,0,0]=3 297 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|0,0,0]=1 298 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|0,0,0]=1 299 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,1,0,0,0,0|0,0,2]=3 301 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,1,0,0,0,0|0,0,2]=3 302 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,1,0,0,0,0|2,0,0]=3 303 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,1,0,0,0,0|0,0,0]=1 304 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,1,0,0,0,0|0,0,0]=1 305 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,1,0,0,0,0|1,0,0]=2 306 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,1,0,0,0,0|1,0,1]=3 307 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|1,0,0]=2 308 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,1,0,0,0,0|1,0,0]=2 309 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,1,0,0,0,0|1,0,0]=2 310 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,1,0,0,0,0|2,0,0]=3 312 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,1,0,0,0,0|2,0,0]=3 314 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,1,0,0,0,0|1,0,1]=3 315 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,1,0,0,0,0|1,0,0]=2 317 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,1,0,0,0,0|2,0,0]=3 318 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|1,0,1]=3 319 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,1,0,0,0,0|2,0,1]=4 322 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,1,0,0,0,0|1,0,2]=4 323 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,1,0,0,0,0|1,0,1]=3 325 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,1,0,0,0,0|1,0,2]=4 326 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,1,0,0,0,0|1,0,2]=4 327 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,1,0,0,0,0|2,0,0]=3 328 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,1,0,0,0,0|3,0,0]=4 331 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,1,0,0,0,0|3,0,0]=4 332 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,1,0,0,0,0|1,0,0]=2 336 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,1,0,0,0,0|2,0,0]=3 337 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,1,0,0,0,0|1,0,0]=2 338 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,1,0,0,0,0|2,0,0]=3 340 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,1,0,0,0,0|2,0,0]=3 341 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,1,0,0,0,0|2,0,0]=3 344 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,1,0,0,0,0|2,0,0]=3 345 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,1,0,0,0,0|0,0,3]=4 346 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,1,0,0,0,0|1,0,1]=3 347 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,1,0,0,0,0|1,0,1]=3 348 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,1,0,0,0,0|0,0,3]=4 349 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,1,0,0,0,0|1,0,1]=3 350 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,1,0,0,0,0|0,0,1]=2 351 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,1,0,0,0,0|1,0,1]=3 352 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.6 O=C(Cl)CC[N+](=O)[O-] CNP0468600.0 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,1,0,0,0,0|1,0,1]=3 356 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,1,0,0,0,0|2,0,0]=3 357 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.6 O=C(O)CN[N+](=O)[O-] CNP0570107.0 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [0,1,0,0,0,0|3,0,0]=4 363 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [0,1,0,0,0,0|3,0,0]=4 364 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [0,1,0,0,0,0|3,0,0]=4 365 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [0,1,0,0,0,0|3,0,0]=4 366 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [0,1,0,0,0,0|3,0,0]=4 367 B7R0.8 NCCCS(=O)(=O)O CNP0214317.0 [0,1,0,0,0,0|1,0,0]=2 368 B7R0.8 NCCOP(=O)(O)O CNP0179004.0 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.8 NCCOS(=O)(=O)O CNP0107858.0 [0,1,0,0,0,0|2,0,0]=3 370 B7R0.8 O=P(O)(O)OCCO CNP0082124.0 [0,1,0,0,0,0|3,0,0]=4 371 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|2,0,1]=4 372 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|1,0,2]=4 373 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|2,0,0]=3 374 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|1,0,2]=4 375 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|2,0,0]=3 376 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|1,1,0]=3 377 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|2,0,1]=4 378 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|3,0,0]=4 379 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|2,0,0]=3 380 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|1,0,0]=2 381 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,1,0,0|2,0,1]=4 382 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|3,0,0]=4 383 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|1,0,0]=2 384 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|3,0,0]=4 385 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,0,0,1,0,0|2,0,1]=4 386 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,1,0,0|2,0,1]=4 387 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|2,0,1]=4 388 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,1,0,0|2,0,1]=4 389 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,1,0,0|1,0,1]=3 390 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|2,0,0]=3 391 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|3,0,0]=4 393 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|3,0,0]=4 394 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|3,0,0]=4 395 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|3,0,0]=4 396 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,1,0,0|2,0,0]=3 397 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|3,0,0]=4 398 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|3,0,0]=4 399 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|2,0,1]=4 400 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|2,0,0]=3 401 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|3,0,0]=4 402 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|2,0,1]=4 403 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,1,0,0|1,0,1]=3 404 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|2,0,0]=3 405 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|1,0,0]=2 408 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|3,0,0]=4 409 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,1,0,0|3,0,0]=4 410 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|2,0,0]=3 411 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,1,0,0|3,0,0]=4 412 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|2,0,1]=4 414 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|2,0,1]=4 415 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|2,0,1]=4 416 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,1,0,0|2,1,0]=4 417 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|2,0,1]=4 418 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,0,0,1,0,0|2,0,1]=4 419 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,0|2,0,1]=4 420 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,0|2,0,1]=4 421 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,0,0,1,0,0|2,0,1]=4 422 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [0,0,0,1,0,0|2,0,1]=4 423 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,0,1,0,0|2,0,0]=3 424 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,0,1,0,0|0,0,0]=1 425 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,0,1,0,0|0,0,0]=1 426 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 427 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|2,0,0]=4 428 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,2]=4 429 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 432 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|2,0,0]=4 434 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 435 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 436 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 437 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|1,0,0]=3 438 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 439 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 440 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 441 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,0]=2 442 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,1]=3 443 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,1]=3 444 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,1]=3 445 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|0,0,2]=4 446 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|0,1,1]=4 447 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|1,0,1]=4 448 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|1,0,1]=4 449 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|2,0,0]=4 450 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 452 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|2,0,0]=4 453 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.1 C[C@H](O)CN CNP0571248.1 [2,0,0,0,0,0|1,0,1]=4 456 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|0,0,2]=4 457 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|1,0,0]=3 461 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|0,0,0]=2 462 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|0,0,1]=3 463 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 464 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,0]=3 466 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,0]=3 468 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|1,0,0]=3 469 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|1,0,0]=3 470 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,1]=4 471 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|0,0,2]=4 472 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.2 C#CCCO CNP0577358.0 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|0,0,1]=3 476 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 477 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|2,0,0]=4 478 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|2,0,0]=4 479 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|2,0,0]=4 480 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|2,0,0]=4 481 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,2]=4 482 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.2 CCC#CO CNP0612045.0 [2,0,0,0,0,0|0,0,2]=4 484 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 486 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,0]=2 487 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|1,0,1]=4 488 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,1]=4 489 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|0,0,1]=3 490 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,1]=3 491 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,1]=4 492 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|2,0,0]=4 493 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,0]=3 496 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 497 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 498 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|1,0,1]=4 499 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,1]=4 500 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,1]=4 501 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,0]=3 502 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,0,1]=4 503 B4R0.2 N#CCCN CNP0502764.0 [2,0,0,0,0,0|1,0,1]=4 504 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|0,0,0]=2 505 B4R0.2 NCCCN CNP0566837.0 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|0,0,0]=2 507 B4R0.2 NCCCS CNP0560812.0 [2,0,0,0,0,0|0,1,0]=3 508 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 509 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,0,0]=3 511 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,0,0]=3 512 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.2 SCCCS CNP0528691.0 [2,0,0,0,0,0|1,1,0]=4 514 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|2,0,0]=4 515 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,1,0,0,0,0|1,0,0]=3 519 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,1,0,0,0,0|2,0,0]=4 520 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|0,0,2]=4 522 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|1,0,1]=4 524 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|1,0,1]=4 525 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,1,0,0,0,0|1,0,0]=3 526 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,1,0,0,0,0|1,0,0]=3 527 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,1,0,0,0,0|0,0,1]=3 528 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|1,0,0]=3 529 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,0,0]=2 530 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|0,0,0]=2 531 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|0,1,0]=3 532 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|1,0,1]=4 536 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,1,0,0,0,0|1,0,1]=4 537 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|2,0,0]=4 538 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|2,0,0]=4 542 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|1,0,0]=3 547 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|1,0,0]=3 548 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,1,0,0,0,0|1,0,1]=4 551 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|1,0,1]=4 552 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,1,0,0,0,0|0,0,1]=3 553 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,1,0,0,0,0|0,0,2]=4 554 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|0,0,2]=4 555 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|0,0,1]=3 560 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|1,0,0]=3 561 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,0]=3 562 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|2,0,0]=4 564 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|2,0,0]=4 567 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,0]=3 568 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,1,0,0,0,0|2,0,0]=4 569 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,1,0,0,0,0|2,0,0]=4 570 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,0]=3 571 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|0,0,0]=2 572 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|0,0,0]=2 573 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|0,0,0]=2 575 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|0,0,0]=2 576 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|0,0,0]=2 577 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|0,0,1]=3 578 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|1,0,0]=3 579 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,1,0,0,0,0|0,0,1]=3 582 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [1,1,0,0,0,0|0,0,2]=4 585 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|2,0,0]=4 586 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|0,0,1]=3 587 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,1,0,0,0,0|0,0,1]=3 588 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [1,1,0,0,0,0|0,0,2]=4 590 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [1,1,0,0,0,0|0,0,2]=4 591 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,1,0,0,0,0|0,0,2]=4 592 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,1,0,0,0,0|0,0,2]=4 593 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|0,0,1]=3 595 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|1,0,0]=3 598 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|1,0,0]=3 600 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|1,0,0]=3 601 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|0,0,0]=2 602 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [1,1,0,0,0,0|0,0,2]=4 603 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|0,0,0]=2 605 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|1,0,0]=3 606 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|0,0,0]=2 607 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|1,0,0]=3 608 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|1,0,0]=3 609 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|0,0,0]=2 611 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|0,0,0]=2 613 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|0,0,0]=2 614 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,1,0,0,0,0|1,0,0]=3 616 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,1,0,0,0,0|1,0,0]=3 617 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,1,0,0,0,0|1,0,1]=4 618 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|2,0,0]=4 619 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|2,0,0]=4 620 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,1,0,0,0,0|0,0,0]=2 622 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,1,0,0,0,0|1,0,0]=3 623 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,1,0,0,0,0|0,0,0]=2 624 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,1,0,0,0,0|1,0,0]=3 625 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [1,1,0,0,0,0|2,0,0]=4 626 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [1,1,0,0,0,0|2,0,0]=4 627 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [1,1,0,0,0,0|2,0,0]=4 628 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,1,0,0,0,0|0,0,0]=2 629 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,1,0,0,0,0|0,0,0]=2 630 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,1,0,0,0,0|0,0,0]=2 631 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,1,0,0,0,0|1,0,0]=3 633 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,1,0,0,0,0|1,0,0]=3 634 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,1,0,0,0,0|1,0,0]=3 635 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,1,0,0,0,0|1,0,0]=3 636 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,1,0,0,0,0|1,0,0]=3 637 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,1,0,0,0,0|1,0,0]=3 638 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,1,0,0,0,0|1,0,0]=3 640 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,1,0,0,0,0|1,0,0]=3 641 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,1,0,0,0,0|1,0,0]=3 644 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,1,0,0,0,0|1,0,0]=3 645 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,1,0,0,0,0|1,0,0]=3 646 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,1,0,0,0,0|1,0,0]=3 647 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,1,0,0,0,0|1,0,0]=3 648 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|1,0,1]=4 651 B6R0.5 CCCC(O)(O)O CNP0084720.0 [1,1,0,0,0,0|0,0,2]=4 652 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [1,1,0,0,0,0|2,0,0]=4 653 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [1,1,0,0,0,0|2,0,0]=4 654 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [1,1,0,0,0,0|1,0,0]=3 655 B6R0.5 NCCS(=O)(=O)N CNP0110913.0 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [1,1,0,0,0,0|1,0,0]=3 657 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [1,1,0,0,0,0|1,0,0]=3 658 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [1,1,0,0,0,0|2,0,0]=4 659 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [1,1,0,0,0,0|2,0,0]=4 661 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.6 C#CCCCCO CNP0289179.0 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.6 C=CCCCC#N CNP0287374.0 [1,1,0,0,0,0|1,0,1]=4 665 B6R0.6 C=CCCCC=C CNP0115869.0 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.6 C=CCCCCC CNP0226691.0 [1,1,0,0,0,0|2,0,0]=4 667 B6R0.6 C=CCCCCO CNP0162421.0 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.6 C=CCOCCO CNP0248950.0 [1,1,0,0,0,0|2,0,0]=4 669 B6R0.6 C=CCSCCC CNP0150756.0 [1,1,0,0,0,0|2,0,0]=4 670 B6R0.6 C=COCCCC CNP0077236.0 [1,1,0,0,0,0|2,0,0]=4 671 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|1,0,1]=4 677 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|1,0,1]=4 678 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|1,0,0]=3 679 B6R0.6 CCCCC=NO CNP0149695.0 [1,1,0,0,0,0|1,0,0]=3 680 B6R0.6 CCCCCC=O CNP0304790.0 [1,1,0,0,0,0|1,0,0]=3 681 B6R0.6 CCCCCCN CNP0213933.0 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.6 CCCCCCO CNP0317600.0 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.6 CCCCCNC CNP0276164.0 [1,1,0,0,0,0|1,0,1]=4 684 B6R0.6 CCCCCOC CNP0358174.0 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.6 CCCCNC=O CNP0082472.0 [1,1,0,0,0,0|1,0,0]=3 686 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|1,0,0]=3 687 B6R0.6 CCCCON=O CNP0003508.0 [1,1,0,0,0,0|2,0,0]=4 688 B6R0.6 CCCOCCO CNP0079853.0 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.6 CCOCCCO CNP0304052.0 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.6 CCSCCCO CNP0355297.0 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.6 CNCCCCN CNP0157274.0 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.6 COCCCCO CNP0570905.0 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.6 CSCCCC=O CNP0002814.0 [1,1,0,0,0,0|1,0,0]=3 694 B6R0.6 CSCCCCO CNP0002400.0 [1,1,0,0,0,0|1,0,1]=4 695 B6R0.6 NCCCCC=O CNP0083786.0 [1,1,0,0,0,0|0,0,0]=2 696 B6R0.6 NCCCCCN CNP0184259.0 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.6 NCCCCCO CNP0032450.0 [1,1,0,0,0,0|0,0,1]=3 698 B6R0.6 NCCOCCN CNP0447264.0 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.6 O=CCCCC=O CNP0204417.0 [1,1,0,0,0,0|1,0,0]=3 700 B6R0.6 OCCCCCO CNP0201249.0 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.6 OCCNCCO CNP0247543.0 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.6 OCCOCCO CNP0333860.0 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.6 OCCSCCO CNP0335773.0 [1,1,0,0,0,0|1,0,1]=4 704 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O CNP0244576.1 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,2,0,0,0,0|1,0,1]=4 710 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,2,0,0,0,0|1,0,0]=3 711 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,2,0,0,0,0|1,0,0]=3 712 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,2,0,0,0,0|1,0,0]=3 714 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,2,0,0,0,0|1,0,0]=3 715 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,2,0,0,0,0|1,0,0]=3 716 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,2,0,0,0,0|1,0,0]=3 717 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,2,0,0,0,0|1,0,0]=3 718 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,2,0,0,0,0|1,0,0]=3 719 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,2,0,0,0,0|1,0,0]=3 721 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,2,0,0,0,0|1,0,0]=3 722 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,2,0,0,0,0|1,0,0]=3 723 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,2,0,0,0,0|1,0,0]=3 724 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,2,0,0,0,0|1,0,0]=3 725 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,2,0,0,0,0|1,0,0]=3 726 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,2,0,0,0,0|1,0,0]=3 727 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,2,0,0,0,0|2,0,0]=4 728 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,2,0,0,0,0|1,0,0]=3 729 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO CNP0299919.1 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,2,0,0,0,0|0,0,1]=3 731 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,2,0,0,0,0|0,0,0]=2 732 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,2,0,0,0,0|0,0,0]=2 733 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,2,0,0,0,0|0,0,0]=2 734 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,2,0,0,0,0|1,0,0]=3 735 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,2,0,0,0,0|1,0,0]=3 736 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,2,0,0,0,0|1,0,0]=3 737 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,2,0,0,0,0|1,0,0]=3 738 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,2,0,0,0,0|1,0,0]=3 739 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,2,0,0,0,0|1,0,0]=3 740 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,2,0,0,0,0|1,0,0]=3 741 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,2,0,0,0,0|1,0,0]=3 743 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,2,0,0,0,0|1,0,0]=3 744 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,2,0,0,0,0|1,0,0]=3 745 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,2,0,0,0,0|1,0,0]=3 746 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CNP0144827.5 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,2,0,0,0,0|1,0,1]=4 749 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,2,0,0,0,0|1,0,1]=4 750 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|1,0,1]=4 751 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|2,0,0]=4 752 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|1,0,0]=3 753 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|2,0,0]=4 754 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,2,0,0,0,0|1,0,0]=3 755 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,2,0,0,0,0|1,0,0]=3 758 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,2,0,0,0,0|0,0,0]=2 761 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,2,0,0,0,0|1,0,0]=3 762 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [0,2,0,0,0,0|2,0,0]=4 763 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|1,0,0]=3 766 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,2,0,0,0,0|1,0,0]=3 767 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|2,0,0]=4 768 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,2,0,0,0,0|1,0,1]=4 770 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,2,0,0,0,0|1,0,1]=4 771 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,2,0,0,0,0|1,0,1]=4 772 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,2,0,0,0,0|2,0,0]=4 773 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,2,0,0,0,0|1,0,1]=4 776 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,2,0,0,0,0|1,0,1]=4 777 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,2,0,0,0,0|1,0,1]=4 779 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,2,0,0,0,0|1,0,0]=3 781 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,2,0,0,0,0|1,0,0]=3 784 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,2,0,0,0,0|1,0,0]=3 785 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,2,0,0,0,0|1,0,0]=3 786 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,2,0,0,0,0|1,0,0]=3 787 B8R0.23 CC(NC(=N)N)C(=O)O CNP0082989.0 [0,2,0,0,0,0|1,0,1]=4 788 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,2,0,0,0,0|1,0,0]=3 789 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,2,0,0,0,0|1,0,1]=4 790 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.23 CN(CC(=O)O)C(=N)N CNP0156562.0 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.23 CN(CC(=O)O)C(=O)N CNP0548599.0 [0,2,0,0,0,0|1,0,1]=4 793 B8R0.23 CN(CC(=O)O)C(N)N CNP0559607.0 [0,2,0,0,0,0|1,0,0]=3 794 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.23 C[C@@H](NC(=O)N)C(=O)O CNP0369812.2 [0,2,0,0,0,0|1,0,1]=4 796 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,2,0,0,0,0|1,0,0]=3 797 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,2,0,0,0,0|1,0,0]=3 798 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,2,0,0,0,0|1,0,1]=4 799 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,2,0,0,0,0|1,0,0]=3 800 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,2,0,0,0,0|0,0,0]=2 801 B8R0.23 C[C@H](NC(=O)N)C(=O)O CNP0369812.1 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,2,0,0,0,0|1,0,0]=3 803 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,2,0,0,0,0|2,0,0]=4 804 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,2,0,0,0,0|2,0,0]=4 808 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,2,0,0,0,0|0,0,1]=3 813 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,2,0,0,0,0|0,0,1]=3 814 B8R0.23 NC(=O)N[C@@H](O)C(=O)O CNP0085588.2 [0,2,0,0,0,0|1,0,1]=4 815 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,2,0,0,0,0|1,0,1]=4 816 B8R0.23 NC(=O)N[C@H](O)C(=O)O CNP0085588.1 [0,2,0,0,0,0|1,0,1]=4 817 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,2,0,0,0,0|0,0,1]=3 818 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,2,0,0,0,0|1,0,1]=4 819 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,2,0,0,0,0|1,0,1]=4 820 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,2,0,0,0,0|1,0,1]=4 823 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,2,0,0,0,0|1,0,1]=4 824 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,2,0,0,0,0|1,0,0]=3 825 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,2,0,0,0,0|2,0,0]=4 826 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,2,0,0,0,0|2,0,0]=4 829 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,2,0,0,0,0|1,0,1]=4 835 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,2,0,0,0,0|1,0,1]=4 837 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,2,0,0,0,0|1,0,1]=4 838 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,2,0,0,0,0|1,0,1]=4 839 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,2,0,0,0,0|1,0,1]=4 840 B8R0.24 N[C@@H](CO)CS(=O)(=O)O CNP0250867.1 [0,2,0,0,0,0|2,0,0]=4 841 B8R0.24 N[C@H](CO)CS(=O)(=O)O CNP0250867.2 [0,2,0,0,0,0|2,0,0]=4 842 B8R0.24 O=S(=O)(O)CC(S)CS CNP0066637.0 [0,2,0,0,0,0|2,0,0]=4 843 B8R0.24 O=S(=O)(O)C[C@@H](O)CO CNP0018749.1 [0,2,0,0,0,0|2,0,0]=4 844 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,2,0,0,0,0|1,0,0]=3 845 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,2,0,0,0,0|1,0,1]=4 850 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|1,0,0]=3 851 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|2,0,0]=4 852 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|2,0,0]=4 854 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|2,0,0]=4 855 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|1,0,0]=3 856 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|2,0,0]=4 857 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|2,0,0]=4 858 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|2,0,0]=4 859 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,2,0,0,0,0|2,0,0]=4 860 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,2,0,0,0,0|2,0,0]=4 861 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,2,0,0,0,0|2,0,0]=4 862 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,2,0,0,0,0|1,0,1]=4 864 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,2,0,0,0,0|2,0,0]=4 865 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,2,0,0,0,0|2,0,0]=4 866 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|2,0,0]=4 867 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,2,0,0,0,0|1,0,0]=3 868 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,2,0,0,0,0|1,0,0]=3 869 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,2,0,0,0,0|1,1,0]=4 870 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [0,2,0,0,0,0|2,0,0]=4 871 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|2,0,0]=4 872 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,2,0,0,0,0|1,0,0]=3 873 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,2,0,0,0,0|1,0,0]=3 874 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,2,0,0,0,0|1,0,1]=4 875 B8R0.6 NCCCN=C(N)NO CNP0498181.0 [0,2,0,0,0,0|1,0,0]=3 876 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,2,0,0,0,0|1,0,0]=3 877 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,2,0,0,0,0|1,0,0]=3 878 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,2,0,0,0,0|1,0,1]=4 880 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,2,0,0,0,0|1,0,1]=4 883 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,2,0,0,0,0|1,0,0]=3 884 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,2,0,0,0,0|1,0,1]=4 885 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|1,0,1]=4 888 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|1,0,0]=3 889 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|2,0,0]=4 890 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|1,0,0]=3 891 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|1,0,0]=3 892 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|1,0,0]=3 893 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,2,0,0,0,0|1,0,0]=3 894 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,2,0,0,0,0|2,0,0]=4 895 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,2,0,0,0,0|1,0,0]=3 896 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,2,0,0,0,0|1,0,0]=3 897 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,2,0,0,0,0|1,0,0]=3 898 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,2,0,0,0,0|1,0,0]=3 899 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,2,0,0,0,0|2,0,0]=4 900 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|1,0,1]=4 901 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,2,0,0,0,0|1,0,0]=3 902 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,2,0,0,0,0|1,0,0]=3 903 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,2,0,0,0,0|1,0,0]=3 904 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,2,0,0,0,0|2,0,0]=4 906 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,2,0,0,0,0|2,0,0]=4 907 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,2,0,0,0,0|0,0,0]=2 908 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|1,0,0]=3 909 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,2,0,0,0,0|1,0,0]=3 911 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,2,0,0,0,0|0,0,1]=3 912 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|0,0,0]=2 913 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,2,0,0,0,0|0,0,0]=2 914 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,2,0,0,0,0|0,0,0]=2 915 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,2,0,0,0,0|0,0,0]=2 916 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,2,0,0,0,0|0,0,0]=2 918 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,2,0,0,0,0|0,0,0]=2 919 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [0,2,0,0,0,0|1,0,1]=4 920 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [0,2,0,0,0,0|1,0,1]=4 921 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,2,0,0,0,0|1,0,0]=3 922 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,2,0,0,0,0|1,0,0]=3 923 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [0,2,0,0,0,0|1,1,0]=4 924 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,2,0,0,0,0|1,0,0]=3 925 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,2,0,0,0,0|2,0,0]=4 926 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,2,0,0,0,0|0,0,0]=2 927 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,2,0,0,0,0|0,0,0]=2 928 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,2,0,0,0,0|0,0,2]=4 929 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,2,0,0,0,0|2,0,0]=4 930 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,2,0,0,0,0|2,0,0]=4 932 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,2,0,0,0,0|0,0,1]=3 933 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,2,0,0,0,0|2,0,0]=4 934 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,2,0,0,0,0|1,0,0]=3 935 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|2,0,0]=4 936 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,2,0,0,0,0|1,0,1]=4 938 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,2,0,0,0,0|1,0,1]=4 940 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,2,0,0,0,0|1,0,1]=4 941 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,2,0,0,0,0|2,0,0]=4 942 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,2,0,0,0,0|0,0,0]=2 943 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,2,0,0,0,0|1,0,1]=4 944 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,2,0,0,0,0|1,0,1]=4 945 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,2,0,0,0,0|1,0,0]=3 946 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,2,0,0,0,0|2,0,0]=4 947 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,2,0,0,0,0|0,0,1]=3 949 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,2,0,0,0,0|1,0,1]=4 950 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,2,0,0,0,0|1,0,0]=3 951 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,2,0,0,0,0|1,1,0]=4 952 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [0,2,0,0,0,0|0,0,0]=2 953 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,2,0,0,0,0|0,0,0]=2 954 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,2,0,0,0,0|0,0,1]=3 955 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,2,0,0,0,0|0,0,0]=2 956 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,2,0,0,0,0|0,0,0]=2 957 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,2,0,0,0,0|0,0,0]=2 958 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,2,0,0,0,0|0,0,0]=2 959 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,2,0,0,0,0|1,0,0]=3 960 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,2,0,0,0,0|0,0,1]=3 961 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,2,0,0,0,0|1,0,0]=3 962 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,2,0,0,0,0|2,0,0]=4 964 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.25 NCCC[P@@](=O)(O)CO CNP0369403.1 [0,2,0,0,0,0|1,0,0]=3 966 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,2,0,0,0,0|2,0,0]=4 967 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,2,0,0,0,0|2,0,0]=4 968 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,2,0,0,0,0|2,0,0]=4 969 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,2,0,0,0,0|2,0,0]=4 970 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,2,0,0,0,0|1,0,0]=3 971 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,2,0,0,0,0|1,0,0]=3 973 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,2,0,0,0,0|2,0,0]=4 974 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,2,0,0,0,0|1,0,0]=3 976 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,2,0,0,0,0|2,0,0]=4 977 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,2,0,0,0,0|1,0,0]=3 978 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,2,0,0,0,0|2,0,0]=4 981 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,2,0,0,0,0|2,0,0]=4 982 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,2,0,0,0,0|1,0,0]=3 983 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,2,0,0,0,0|2,0,0]=4 984 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,2,0,0,0,0|2,0,0]=4 985 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,2,0,0,0,0|1,0,0]=3 986 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,2,0,0,0,0|2,0,0]=4 987 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,2,0,0,0,0|2,0,0]=4 988 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,2,0,0,0,0|2,0,0]=4 989 B8R0.7 N/N=C/NCC[S@](=O)O CNP0018676.1 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.7 N=C(N)NCCCCN CNP0572375.0 [0,2,0,0,0,0|2,0,0]=4 991 B8R0.7 N=C(N)NOCCCN CNP0419375.0 [0,2,0,0,0,0|2,0,0]=4 992 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,2,0,0,0,0|0,0,0]=2 993 B8R0.7 NCCCCN=C(N)N CNP0307539.0 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,2,0,0,0,0|1,0,0]=3 995 B8R0.7 NN=CNCCC(=O)O CNP0017951.0 [0,2,0,0,0,0|0,0,1]=3 996 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,2,0,0,0,0|1,0,0]=3 997 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,2,0,0,0,0|1,0,0]=3 998 B8R0.21 CNCCOP(=O)(O)O CNP0449084.0 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,2,0,0,0,0|1,0,0]=3 1002 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,2,0,0,0,0|2,0,0]=4 1003 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,2,0,0,0,0|2,0,0]=4 1009 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,2,0,0,0,0|1,0,0]=3 1010 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,2,0,0,0,0|1,1,0]=4 1011 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,2,0,0,0,0|1,0,1]=4 1012 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,2,0,0,0,0|0,0,0]=2 1013 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,2,0,0,0,0|1,0,0]=3 1014 B8R0.28 N=C(N)NCCC(=O)O CNP0480617.0 [0,2,0,0,0,0|0,0,1]=3 1015 B8R0.28 NC(=NCCC(=O)O)N CNP0139818.0 [0,2,0,0,0,0|0,0,1]=3 1016 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,2,0,0,0,0|1,0,0]=3 1017 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,2,0,0,0,0|0,0,1]=3 1018 B8R0.28 NC(=O)NCNC(=O)O CNP0206621.0 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,2,0,0,0,0|1,0,0]=3 1020 B8R0.28 O=C(O)CCO[N+](=O)[O-] CNP0488226.0 [0,2,0,0,0,0|1,0,1]=4 1021 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,2,0,0,0,0|1,0,1]=4 1022 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,2,0,0,0,0|1,0,1]=4 1023 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,2,0,0,0,0|1,0,0]=3 1026 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,2,0,0,0,0|1,0,0]=3 1027 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,2,0,0,0,0|1,0,0]=3 1028 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [0,2,0,0,0,0|1,0,0]=3 1033 B8R0.14 N[C@@H](CCS)S(=O)(=O)O CNP0045993.1 [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|1,0,0]=3 1036 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.29 CS(=O)(=O)CCC(=O)O CNP0352253.0 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.29 O=C(O)CCP(=O)(O)O CNP0502443.0 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.29 O=C(O)CCS(=O)(=O)O CNP0551286.0 [0,2,0,0,0,0|2,0,0]=4 1040 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|2,0,0]=4 1041 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|2,0,0]=4 1042 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|2,0,0]=4 1043 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|1,0,1]=4 1044 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|1,0,1]=4 1045 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|0,0,2]=4 1046 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,1,0,0|0,0,2]=4 1047 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|0,0,2]=4 1048 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|1,0,0]=3 1049 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,0]=3 1050 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,0]=2 1051 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|0,1,0]=3 1052 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|1,0,0]=3 1053 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|2,0,0]=4 1054 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 1055 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|2,0,0]=4 1056 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,0]=3 1057 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|1,0,0]=3 1058 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,1,0,0|2,0,0]=4 1059 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|1,0,1]=4 1060 B6R1.2 S=C1NCCO1 CNP0275785.0 [1,0,0,1,0,0|1,1,0]=4 1061 B6R1.2 SC1=NCCO1 CNP0580429.0 [1,0,0,1,0,0|1,1,0]=4 1062 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,0]=2 1063 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|1,0,0]=3 1064 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|2,0,0]=4 1065 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|2,0,0]=4 1066 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|1,0,1]=4 1067 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,0]=3 1068 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|1,0,1]=4 1069 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|2,0,0]=4 1070 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|1,0,1]=4 1071 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|1,0,1]=4 1072 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|2,0,0]=4 1073 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|1,0,0]=3 1074 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|2,0,0]=4 1075 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|2,0,0]=4 1076 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|1,0,1]=4 1077 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|1,0,1]=4 1078 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|1,0,0]=3 1079 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|1,0,0]=3 1080 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|1,0,0]=3 1081 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,1,0,1,0,0|2,0,0]=4 1082 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|2,0,0]=4 1083 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|2,0,0]=4 1084 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [0,1,0,1,0,0|0,0,2]=4 1085 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|0,0,0]=2 1086 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,1,0,0|1,0,1]=4 1087 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,1,0,1,0,0|1,0,1]=4 1088 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|2,0,0]=4 1089 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,1,0,0|2,0,0]=4 1090 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|1,0,0]=3 1091 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|1,0,0]=3 1092 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|1,0,0]=3 1093 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [0,1,0,1,0,0|2,0,0]=4 1094 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|2,0,0]=4 1095 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|2,0,0]=4 1096 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|2,0,0]=4 1097 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|1,0,0]=3 1098 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|1,0,1]=4 1099 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|2,0,0]=4 1100 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|1,0,0]=3 1101 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|1,0,1]=4 1102 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|2,0,0]=4 1103 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|1,0,0]=3 1104 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,1,0,0|1,1,0]=4 1105 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|2,0,0]=4 1106 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|1,0,0]=3 1107 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,1]=4 1108 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|1,0,0]=3 1109 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|2,0,0]=4 1110 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|1,0,0]=3 1111 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|1,0,0]=3 1112 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|1,0,0]=3 1113 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|1,0,0]=3 1114 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|1,0,0]=3 1115 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|1,0,1]=4 1116 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,1,0,1,0,0|1,0,0]=3 1117 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,1,0,1,0,0|0,0,0]=2 1118 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,1,0,1,0,0|2,0,0]=4 1119 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|2,0,0]=4 1120 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|2,0,0]=4 1121 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|2,0,0]=4 1122 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,1,0,0|2,0,0]=4 1123 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|2,0,0]=4 1124 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|1,0,0]=3 1125 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,1,0,0|1,0,1]=4 1126 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|2,0,0]=4 1127 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|1,0,0]=3 1128 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|1,0,1]=4 1129 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|1,0,0]=3 1131 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|1,0,1]=4 1132 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|1,0,0]=3 1133 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,1,0,0|1,0,1]=4 1134 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|2,0,0]=4 1135 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|2,0,0]=4 1136 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|2,0,0]=4 1137 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|1,0,0]=3 1138 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,1,0,1,0,0|2,0,0]=4 1140 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [0,1,0,1,0,0|1,0,1]=4 1141 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|1,0,1]=4 1142 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|2,0,0]=4 1143 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|1,0,1]=4 1144 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|1,0,1]=4 1145 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,1]=4 1146 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,1,0,0|1,0,1]=4 1147 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|2,0,0]=4 1148 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|2,0,0]=4 1150 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|2,0,0]=4 1151 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,1,0,1,0,0|1,0,1]=4 1152 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|1,0,0]=3 1153 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,1,0,1,0,0|2,0,0]=4 1154 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,1,0,1,0,0|2,0,0]=4 1155 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,1,0,1,0,0|1,0,0]=3 1156 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|0,0,1]=3 1157 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,1,0,1,0,0|0,0,1]=3 1158 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,1,0,1,0,0|0,0,1]=3 1159 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|1,0,0]=3 1160 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|1,0,0]=3 1161 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,1,0,1,0,0|1,0,0]=3 1162 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,1,0,1,0,0|2,0,0]=4 1163 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,1,0,0|1,0,0]=3 1164 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,1,0,1,0,0|0,0,1]=3 1165 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|0,0,0]=2 1166 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,1,0,1,0,0|0,0,0]=2 1167 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,1,0,1,0,0|0,0,0]=2 1168 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,1,0,1,0,0|0,0,0]=2 1169 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|0,0,0]=2 1170 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|1,0,0]=3 1171 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,1,0,1,0,0|0,0,0]=2 1172 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,1,0,1,0,0|0,0,0]=2 1173 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,1,0,1,0,0|0,0,0]=2 1174 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,1,0,1,0,0|0,0,1]=3 1175 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,1,0,1,0,0|1,0,0]=3 1176 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [0,1,0,1,0,0|1,0,0]=3 1177 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,1,0,1,0,0|2,0,0]=4