0 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C=C(C)CCO CNP0285127.0 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C=C(O)CCC CNP0003382.0 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 C=C([CH2-])CC#[O+] CNP0507131.0 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.1 C=CCC(C)O CNP0594112.0 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 C=CCS(=S)O CNP0533091.0 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.1 C=COC(=O)C CNP0003526.0 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(=O)CCO CNP0251527.0 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CC(C)CCN CNP0107663.0 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 CC(C)CCO CNP0115711.0 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 CC(C)CCS CNP0222694.0 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 CC(O)CCS CNP0002409.0 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 CC(S)CCS CNP0003105.0 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,0,0,0,0,0|1,1,2]=4 28 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CCCC(=O)N CNP0115101.0 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 CCCC(=O)O CNP0259447.0 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,0,0,0,0,0|1,0,1]=2 34 B5R0.1 CCCC(C)C CNP0319065.0 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CCCC(C)S CNP0029638.0 [0,0,0,0,0,0|2,1,1]=4 36 B5R0.1 CCCC(O)O CNP0076336.0 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.1 CCCS(=S)O CNP0558357.0 [0,0,0,0,0,0|2,1,0]=3 38 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 CCNC(=S)N CNP0415621.0 [0,0,0,0,0,0|3,1,0]=4 42 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.1 CCOC(=O)N CNP0336700.0 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.1 CCOC(=O)O CNP0166515.0 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.1 CCSC(=N)N CNP0528738.0 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,0,0,0,0,0|4,0,0]=4 49 B5R0.1 CN(C)CCCl CNP0328789.0 [0,0,0,0,0,0|4,0,0]=4 50 B5R0.1 CN(C)CCO CNP0230038.0 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.1 CNCC(=O)O CNP0307073.0 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.1 CNCC(=O)O CNP0563704.0 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.1 COCC(=O)O CNP0343219.0 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.1 CSCC(=O)O CNP0447839.0 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,0,0,0,0,0|1,0,3]=4 59 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,0,0,0,0,0|0,0,2]=2 66 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.1 NCCC(=O)O CNP0226336.0 [0,0,0,0,0,0|0,0,0]=0 68 B5R0.1 NCCP(=O)O CNP0498602.0 [0,0,0,0,0,0|1,0,0]=1 69 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,0,0,0,0,0|1,0,0]=1 70 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,0,0,0,0,0|1,0,0]=1 71 B5R0.1 NCNC(=O)N CNP0046326.0 [0,0,0,0,0,0|2,0,0]=2 72 B5R0.1 NOCC(=O)O CNP0293826.0 [0,0,0,0,0,0|1,0,0]=1 73 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,0,0,0,0,0|1,0,2]=3 74 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,0,0,0,0,0|1,0,2]=3 75 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,0,0,0,0,0|1,0,2]=3 76 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,0,0,0,0,0|2,0,1]=3 77 B5R0.1 O=C(O)CCO CNP0228379.0 [0,0,0,0,0,0|1,0,0]=1 78 B5R0.1 O=C(O)CCS CNP0097385.0 [0,0,0,0,0,0|1,0,0]=1 79 B5R0.1 O=C(O)CNO CNP0316873.0 [0,0,0,0,0,0|2,0,0]=2 80 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,0,0,0,0,0|1,0,1]=2 81 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,0,0,0,0,0|2,0,1]=3 82 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,0,0,0,0,0|2,0,0]=2 83 B4R0.1 C#CC(=O)N CNP0485881.0 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,0,0,0,0|0,0,2]=3 85 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|0,0,2]=3 93 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|0,0,3]=4 94 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,1,0]=3 110 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,0,0]=2 111 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,0,0]=2 115 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|0,0,0]=1 116 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|0,0,1]=2 117 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|0,0,1]=2 118 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|0,0,1]=2 119 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|0,0,2]=3 122 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|0,1,1]=3 123 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,1,1]=4 125 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CN=C(N)N CNP0588415.0 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.1 CNC(=N)N CNP0590894.0 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.1 CNC(=S)N CNP0572685.0 [1,0,0,0,0,0|2,1,0]=4 132 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|1,2,0]=4 133 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 N=C(N)NN CNP0538712.0 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|0,0,2]=3 143 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|3,0,0]=4 147 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|1,0,0]=2 148 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|0,0,0]=1 149 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|0,0,1]=2 150 B4R0.1 NN=C(N)N CNP0609058.0 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.1 NNC(=S)N CNP0493193.0 [1,0,0,0,0,0|2,1,0]=4 152 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|1,0,0]=2 156 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|1,0,0]=2 157 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|1,0,0]=2 158 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|1,0,0]=2 159 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|1,0,0]=2 160 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 C#CCC=O CNP0596193.0 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 C=CCC#N CNP0498043.0 [1,0,0,0,0,0|1,0,2]=4 166 B4R0.2 C=CCC=C CNP0494589.0 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|1,0,0]=2 169 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|3,0,0]=4 174 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|3,0,0]=4 175 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,1]=3 186 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|1,0,1]=3 187 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|1,1,1]=4 188 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|3,0,0]=4 189 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|3,0,0]=4 190 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|3,0,0]=4 191 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|3,0,0]=4 194 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|3,0,0]=4 197 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|3,0,0]=4 199 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|1,0,1]=3 203 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|0,0,0]=1 204 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|0,0,1]=2 206 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|0,1,1]=3 207 B4R0.2 NOCON CNP0531529.0 [1,0,0,0,0,0|3,0,0]=4 208 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|1,0,2]=4 209 B4R0.2 O=CCC=O CNP0495847.0 [1,0,0,0,0,0|1,0,1]=3 210 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,0]=2 211 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,1]=3 213 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|1,0,1]=3 214 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|1,0,1]=3 215 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|1,1,1]=4 216 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|1,1,0]=3 237 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,1,0,0,0,0|1,0,2]=4 251 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|1,0,1]=3 255 B6R0.1 COC(=O)CSC CNP0189712.0 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|1,0,1]=3 260 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,1,0,0,0,0|0,0,1]=2 263 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,1,0,0,0,0|1,0,1]=3 269 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,0,0,0,0|2,0,0]=3 282 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,0,0,0,0|2,0,0]=3 285 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,1,0,0,0,0|0,0,0]=1 286 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,1,0,0,0,0|0,0,0]=1 289 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,0,0,0,0|1,0,0]=2 290 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,0,0,0,0|1,0,0]=2 291 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,1,0,0,0,0|0,0,1]=2 296 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|3,0,0]=4 304 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|1,0,1]=3 305 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|0,0,1]=2 306 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|1,0,1]=3 316 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|2,0,0]=3 321 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|1,0,0]=2 323 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|1,0,2]=4 324 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|1,0,0]=2 326 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|1,0,0]=2 328 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|1,0,0]=2 332 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|1,0,0]=2 335 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|2,0,0]=3 337 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|3,0,0]=4 340 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|3,0,0]=4 341 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|0,0,0]=1 343 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,0]=2 344 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|0,0,0]=1 349 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,0]=2 350 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|0,0,0]=1 355 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|0,0,0]=1 356 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|0,0,0]=1 357 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,1,0,0,0,0|1,0,1]=3 358 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|1,0,0]=2 359 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,0,0,0,0|1,0,0]=2 360 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,0,0,0,0|1,0,0]=2 362 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,0,0,0,0|1,0,0]=2 363 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,0,0,0,0|1,0,0]=2 364 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|1,0,0]=2 365 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,0,0,0,0|1,0,0]=2 366 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,0,0,0,0|1,0,0]=2 367 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,1,0,0,0,0|1,0,2]=4 368 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,1,0,0,0,0|1,0,2]=4 370 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|1,0,2]=4 371 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|1,0,1]=3 372 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|1,0,1]=3 373 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,0,0,0,0|1,0,0]=2 374 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|1,0,0]=2 375 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,0,0,0,0|1,0,0]=2 376 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,0,0,0,0|1,0,0]=2 377 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|1,0,0]=2 378 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|1,0,2]=4 379 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,1,0,0,0,0|1,0,2]=4 380 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,0,0,0,0|1,0,1]=3 381 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,1,0,0,0,0|1,0,1]=3 383 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,0,0,0,0|3,0,0]=4 384 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,1,0,0,0,0|1,0,2]=4 385 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,1,0,0,0,0|2,0,0]=3 387 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,1,0,0,0,0|1,0,0]=2 388 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|2,0,0]=3 392 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|1,0,0]=2 395 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|1,0,0]=2 399 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,0,0,0,0|2,0,1]=4 401 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,0,0,0,0|1,0,1]=3 402 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,0,0,0,0|2,0,1]=4 403 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,1,0,0,0,0|1,0,1]=3 404 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.4 CCCCB(O)O CNP0482760.0 [0,1,0,0,0,0|2,0,1]=4 406 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|2,0,0]=3 407 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,0,0,0,0|2,0,0]=3 408 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,1,0,0,0,0|1,0,0]=2 409 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,1,0,0,0,0|1,0,0]=2 410 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,0,0,0,0|2,0,1]=4 412 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|2,0,0]=3 413 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|2,0,0]=3 415 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,0,0,0,0|1,0,0]=2 416 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,0,0,0,0|2,0,0]=3 417 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,1,0,0,0,0|1,0,0]=2 418 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,0,0,0,0|0,0,0]=1 420 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|2,0,1]=4 421 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,1,0,0,0,0|1,0,2]=4 422 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,0,0,0,0|2,0,0]=3 423 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,1,0,0,0,0|2,0,0]=3 424 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,1,0,0,0,0|1,0,0]=2 425 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,0,0,0,0|3,0,0]=4 427 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,1,0,0,0,0|0,0,2]=3 428 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,1,0,0,0,0|2,0,1]=4 429 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,1,0,0,0,0|0,0,2]=3 431 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,0,0,0,0|2,0,0]=3 432 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,1,0,0,0,0|0,0,1]=2 433 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,0,0,0,0|0,0,0]=1 434 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,1,0,0,0,0|1,0,1]=3 435 B6R0.4 NCCOB(O)O CNP0548675.0 [0,1,0,0,0,0|1,0,1]=3 436 B6R0.4 NCCOP(O)O CNP0382987.0 [0,1,0,0,0,0|1,0,1]=3 437 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,1,0,0,0,0|1,0,1]=3 438 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,0,0,0,0|1,0,0]=2 439 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,0,0,0,0|1,0,1]=3 440 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,1,0,0,0,0|1,0,0]=2 441 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,1,0,0,0,0|1,0,1]=3 442 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,1,0,0,0,0|2,0,1]=4 443 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,1,0,0,0,0|2,0,1]=4 444 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.5 CCCC(O)(O)O CNP0084720.0 [0,1,0,0,0,0|1,0,2]=4 446 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [0,1,0,0,0,0|3,0,0]=4 447 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [0,1,0,0,0,0|3,0,0]=4 448 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,1,0,0,0,0|3,0,0]=4 449 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,1,0,0,0,0|3,0,0]=4 450 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,1,0,0,0,0|1,0,0]=2 451 B6R0.5 NCCS(=O)(=O)N CNP0110913.0 [0,1,0,0,0,0|1,0,1]=3 452 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,1,0,0,0,0|1,0,0]=2 453 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,1,0,0,0,0|1,0,0]=2 454 B6R0.5 O=CCP(=O)(O)O CNP0261749.0 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.5 O=CCS(=O)(=O)O CNP0314402.0 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [0,1,0,0,0,0|2,0,0]=3 457 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [0,1,0,0,0,0|2,0,0]=3 458 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [0,1,0,0,0,0|2,0,0]=3 459 B6R0.5 O=S(=O)(Cl)CCO CNP0242447.0 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [0,1,0,0,0,0|2,0,0]=3 461 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [0,1,0,0,0,0|2,0,0]=3 462 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|3,0,0]=4 463 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|3,0,0]=4 464 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|3,0,0]=4 465 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|3,0,0]=4 466 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|3,0,0]=4 467 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|2,0,1]=4 468 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|2,0,0]=3 469 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,1,0,0|1,0,2]=4 470 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,1,0,0|0,0,2]=3 471 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,1,0,0|1,0,2]=4 472 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,1,0,0|1,0,1]=3 473 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|2,0,0]=3 474 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,1,0,0|2,0,0]=3 475 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|1,0,0]=2 476 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|1,1,0]=3 477 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,1,0,0|1,0,0]=2 478 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|2,0,0]=3 479 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|2,0,0]=3 480 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|2,0,0]=3 481 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,1,0,0|3,0,0]=4 482 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,1,0,0|2,0,0]=3 483 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,1,0,0|2,0,1]=4 484 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,1,0,0|2,0,0]=3 485 B6R1.2 OC1=NNC=N1 CNP0175966.0 [0,0,0,1,0,0|2,0,1]=4 486 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|2,0,0]=3 487 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|2,0,1]=4 488 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|2,0,1]=4 489 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,1,0,0|2,1,0]=4 490 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,1,0,0|2,1,0]=4 491 B6R1.3 NCCN1CC1 CNP0522628.0 [0,0,0,1,0,0|3,0,0]=4 492 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,1,0,0|1,0,0]=2 493 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,1,0,0|1,0,0]=2 494 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,0,0,1,0,0|2,0,1]=4 495 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|2,0,0]=3 496 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 497 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 498 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 499 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|1,0,1]=4 500 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|1,0,1]=4 501 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|2,0,0]=4 502 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,2]=4 503 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|1,0,0]=3 504 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|0,0,1]=3 505 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|2,0,0]=4 508 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,1]=4 509 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|1,0,1]=4 510 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,1]=4 511 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 512 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 513 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,0]=2 514 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,0]=3 515 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,1]=4 516 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|1,0,1]=4 517 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,1]=4 518 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|0,0,1]=3 519 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,1]=3 520 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,1]=4 521 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,0]=3 522 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|2,0,0]=4 523 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|2,0,0]=4 524 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,0]=3 525 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|2,0,0]=4 526 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,0]=3 527 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 528 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 529 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,0]=3 530 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 531 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 532 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|1,0,0]=3 533 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|0,1,1]=4 534 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|0,0,0]=2 535 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|1,0,0]=3 536 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|0,0,0]=2 537 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|0,1,0]=3 538 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|0,0,1]=3 539 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|1,0,0]=3 540 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,1]=4 541 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,0]=3 542 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,0]=3 543 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,0]=3 544 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,1]=4 545 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,0]=3 546 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,0]=3 547 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,0]=3 548 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,0]=3 549 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|1,1,0]=4 550 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|2,0,0]=4 551 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|1,0,0]=3 552 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 553 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|1,0,0]=3 554 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,0]=3 555 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,0]=3 556 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,0]=2 557 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|0,0,1]=3 558 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,1,0]=4 559 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|1,0,1]=4 560 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,0]=3 561 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|1,1,0]=4 562 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|2,0,0]=4 563 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|1,0,1]=4 564 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,0]=3 565 B3R0.2 N=C(N)N CNP0564001.0 [2,0,0,0,0,0|2,0,0]=4 566 B3R0.2 N=C(N)S CNP0589508.0 [2,0,0,0,0,0|1,1,0]=4 567 B3R0.2 NC(=O)N CNP0520286.0 [2,0,0,0,0,0|1,0,0]=3 568 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|0,0,0]=2 569 B3R0.2 NC(=S)N CNP0599742.0 [2,0,0,0,0,0|1,1,0]=4 570 B3R0.2 NC(=S)S CNP0574797.0 [2,0,0,0,0,0|0,2,0]=4 571 B3R0.2 N[14C](=O)N CNP0600423.0 [2,0,0,0,0,0|1,0,0]=3 572 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|1,0,0]=3 573 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|0,1,0]=3 574 B3R0.2 O=P(O)O CNP0517495.0 [2,0,0,0,0,0|2,0,0]=4 575 B3R0.2 O=S(=O)O CNP0578309.0 [2,0,0,0,0,0|2,0,0]=4 576 B3R0.2 O=S(O)O CNP0520227.0 [2,0,0,0,0,0|2,0,0]=4 577 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [2,0,0,0,0,0|2,0,0]=4 578 B3R0.2 O=[N+]([O-])O CNP0534371.0 [2,0,0,0,0,0|2,0,0]=4 579 B3R0.2 O=[Se](O)O CNP0605088.0 [2,0,0,0,0,0|2,0,0]=4 580 B3R0.2 O=[Si](O)O CNP0567325.0 [2,0,0,0,0,0|1,1,0]=4 581 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,1,0,0,0,0|0,0,2]=4 582 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,1,0,0,0,0|2,0,0]=4 583 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,1,0,0,0,0|1,0,0]=3 584 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,1,0,0,0,0|0,0,2]=4 586 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|1,0,1]=4 587 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.3 CC(=NO)CO CNP0284253.0 [1,1,0,0,0,0|2,0,0]=4 589 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|1,0,1]=4 592 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|1,1,0]=4 593 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,1,0,0,0,0|0,0,1]=3 594 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|1,0,0]=3 595 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|0,0,0]=2 596 B5R0.3 CCC(=O)NN CNP0281170.0 [1,1,0,0,0,0|1,0,0]=3 597 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|0,0,0]=2 598 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|0,1,0]=3 599 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|0,0,2]=4 602 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|1,0,1]=4 605 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|1,0,1]=4 606 B5R0.3 CNC(=O)NC CNP0028412.0 [1,1,0,0,0,0|2,0,0]=4 607 B5R0.3 CNC(=O)OC CNP0483114.0 [1,1,0,0,0,0|1,0,0]=3 608 B5R0.3 COC(=O)CI CNP0017842.0 [1,1,0,0,0,0|1,0,0]=3 609 B5R0.3 COC(=O)NN CNP0033099.0 [1,1,0,0,0,0|1,0,0]=3 610 B5R0.3 NCC(=O)NO CNP0470573.0 [1,1,0,0,0,0|0,0,0]=2 611 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,1,0,0,0,0|2,0,0]=4 612 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,1,0,0,0,0|2,0,0]=4 613 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,1,0,0,0,0|2,0,0]=4 614 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,1,0,0,0,0|2,0,0]=4 615 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,1,0,0,0,0|2,0,0]=4 616 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,1,0,0,0,0|1,0,0]=3 617 B5R0.3 O=C(CO)CO CNP0303926.0 [1,1,0,0,0,0|1,0,0]=3 618 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,1,0,0,0,0|1,0,1]=4 619 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|1,0,1]=4 620 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.4 CCP(=O)(O)O CNP0534713.0 [1,1,0,0,0,0|1,0,0]=3 624 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [1,1,0,0,0,0|1,0,0]=3 625 B5R0.4 COP(=O)(O)O CNP0100207.0 [1,1,0,0,0,0|2,0,0]=4 626 B5R0.4 O=P(O)(O)CO CNP0297464.0 [1,1,0,0,0,0|2,0,0]=4 627 B5R0.4 O=P(O)(O)CS CNP0479695.0 [1,1,0,0,0,0|2,0,0]=4 628 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [1,1,0,0,0,0|2,0,0]=4 629 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,1,0,0,0,0|1,0,1]=4 631 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,1,0,0,0,0|1,0,1]=4 632 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|0,0,1]=3 633 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|2,0,0]=4 634 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|2,0,0]=4 635 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,1,0,0,0,0|0,0,2]=4 636 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,1,0,0,0,0|1,0,1]=4 637 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,1,0,0,0,0|0,0,1]=3 638 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,1,0,0,0,0|0,0,2]=4 639 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|1,0,0]=3 640 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|1,0,1]=4 641 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,1,0,0,0,0|0,0,1]=3 642 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|1,0,1]=4 643 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,1,0,0,0,0|0,0,1]=3 645 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,1,0,0,0,0|2,0,0]=4 646 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|1,0,0]=3 647 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|2,0,0]=4 649 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|2,0,0]=4 650 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|1,0,0]=3 651 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|1,0,0]=3 653 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|1,0,0]=3 654 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|0,0,0]=2 655 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|1,0,1]=4 656 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|1,0,1]=4 657 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|1,0,1]=4 658 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|0,0,1]=3 659 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|0,0,1]=3 660 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|0,0,1]=3 661 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|0,0,1]=3 662 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|0,0,1]=3 663 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|1,0,1]=4 664 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|0,0,0]=2 665 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|0,0,0]=2 666 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|1,0,1]=4 667 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|0,0,0]=2 668 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|0,0,0]=2 669 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|1,0,1]=4 670 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|1,0,1]=4 671 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|0,0,0]=2 672 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,1,0,0,0,0|1,0,1]=4 673 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,1,0,0,0,0|0,0,1]=3 674 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.5 NC(=O)C(I)I CNP0182681.0 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [1,1,0,0,0,0|2,0,0]=4 678 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|0,0,0]=2 679 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,1,0,0,0,0|1,0,1]=4 680 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,1,0,0,0,0|1,0,0]=3 681 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,1,0,0,0,0|1,0,0]=3 682 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,1,0,0,0,0|1,0,0]=3 683 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|1,0,0]=3 684 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,1,0,0,0,0|1,0,0]=3 685 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,1,0,0,0,0|1,0,0]=3 686 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,1,0,0,0,0|1,0,0]=3 688 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,1,0,0,0,0|1,0,1]=4 689 B5R0.2 C=C=CCC=O CNP0509236.0 [1,1,0,0,0,0|1,0,1]=4 690 B5R0.2 C=CCCC#N CNP0248596.0 [1,1,0,0,0,0|1,0,1]=4 691 B5R0.2 C=CCCC=C CNP0079781.0 [1,1,0,0,0,0|2,0,0]=4 692 B5R0.2 C=CCCC=O CNP0076959.0 [1,1,0,0,0,0|1,0,0]=3 693 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|2,0,0]=4 694 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|1,0,1]=4 695 B5R0.2 C=CCOC=O CNP0541341.0 [1,1,0,0,0,0|1,0,1]=4 696 B5R0.2 C=CCSCC CNP0261096.0 [1,1,0,0,0,0|2,0,0]=4 697 B5R0.2 CC=CCC=O CNP0167409.0 [1,1,0,0,0,0|1,0,1]=4 698 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|2,0,0]=4 699 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|2,0,0]=4 700 B5R0.2 CCC=CC=O CNP0328747.0 [1,1,0,0,0,0|1,0,1]=4 701 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|1,0,1]=4 702 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|1,0,1]=4 703 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|1,0,0]=3 704 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|1,0,0]=3 705 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|1,0,0]=3 706 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|1,0,1]=4 707 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|1,0,1]=4 708 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|1,0,1]=4 709 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|1,0,1]=4 710 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,1,0,0,0,0|1,0,1]=4 711 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|1,0,0]=3 712 B5R0.2 CCNCCN CNP0281269.0 [1,1,0,0,0,0|1,0,1]=4 713 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|1,0,1]=4 714 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|1,0,1]=4 715 B5R0.2 CCSCCN CNP0506731.0 [1,1,0,0,0,0|1,0,1]=4 716 B5R0.2 CNCCNC CNP0480039.0 [1,1,0,0,0,0|2,0,0]=4 717 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|1,0,0]=3 718 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|0,1,1]=4 719 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|1,0,1]=4 720 B5R0.2 N#CCCC=O CNP0181263.0 [1,1,0,0,0,0|0,0,1]=3 721 B5R0.2 N#CCCCO CNP0358912.0 [1,1,0,0,0,0|0,0,2]=4 722 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|0,0,0]=2 723 B5R0.2 NCCCCN CNP0116270.0 [1,1,0,0,0,0|1,0,1]=4 724 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|0,0,1]=3 725 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|1,0,1]=4 726 B5R0.2 O=CCCC=O CNP0053830.0 [1,1,0,0,0,0|1,0,0]=3 727 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|1,0,1]=4 728 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|1,0,1]=4 729 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|1,0,1]=4 730 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|1,0,1]=4 731 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,2,0,0,0,0|2,0,0]=4 733 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|1,0,1]=4 736 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|2,0,0]=4 739 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|2,0,0]=4 742 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|1,0,0]=3 744 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,2,0,0,0,0|2,0,0]=4 746 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,2,0,0,0,0|1,0,1]=4 749 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,2,0,0,0,0|0,0,0]=2 754 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,2,0,0,0,0|1,1,0]=4 759 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,2,0,0,0,0|1,0,1]=4 760 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,2,0,0,0,0|0,0,0]=2 762 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,2,0,0,0,0|0,0,0]=2 763 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,2,0,0,0,0|0,0,0]=2 764 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,2,0,0,0,0|0,0,0]=2 765 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,2,0,0,0,0|0,0,0]=2 766 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,2,0,0,0,0|0,0,0]=2 767 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|0,0,0]=2 768 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,2,0,0,0,0|1,0,0]=3 769 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|1,0,0]=3 770 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,2,0,0,0,0|2,0,0]=4 772 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|2,0,0]=4 777 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,2,0,0,0,0|2,0,0]=4 780 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,2,0,0,0,0|1,0,0]=3 781 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,2,0,0,0,0|1,0,0]=3 782 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,2,0,0,0,0|0,0,1]=3 783 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,2,0,0,0,0|1,0,0]=3 785 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,2,0,0,0,0|1,0,0]=3 786 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,2,0,0,0,0|0,0,0]=2 788 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|1,0,0]=3 789 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,2,0,0,0,0|1,0,0]=3 791 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,2,0,0,0,0|1,0,0]=3 792 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,2,0,0,0,0|1,0,0]=3 793 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|1,0,0]=3 800 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|1,0,0]=3 802 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|1,0,0]=3 803 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|2,0,0]=4 805 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|1,0,0]=3 808 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,2,0,0,0,0|1,0,1]=4 809 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|1,0,0]=3 812 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|1,0,0]=3 814 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|1,0,0]=3 815 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,2,0,0,0,0|0,0,0]=2 820 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,2,0,0,0,0|0,0,0]=2 821 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,2,0,0,0,0|1,0,0]=3 822 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,2,0,0,0,0|1,0,0]=3 823 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|0,0,0]=2 824 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|0,0,0]=2 825 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,2,0,0,0,0|1,0,0]=3 826 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,2,0,0,0,0|0,0,1]=3 827 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,2,0,0,0,0|0,0,1]=3 828 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,2,0,0,0,0|1,0,0]=3 829 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|0,0,0]=2 830 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|0,0,0]=2 831 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,2,0,0,0,0|0,0,0]=2 832 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,2,0,0,0,0|1,0,0]=3 833 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|1,0,0]=3 834 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,2,0,0,0,0|1,0,0]=3 835 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,2,0,0,0,0|1,0,0]=3 836 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,2,0,0,0,0|1,0,0]=3 837 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,2,0,0,0,0|1,0,0]=3 838 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,2,0,0,0,0|1,0,0]=3 839 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,2,0,0,0,0|1,0,0]=3 843 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,2,0,0,0,0|1,0,0]=3 844 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|1,0,0]=3 845 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|1,0,0]=3 846 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|2,0,0]=4 849 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,2,0,0,0,0|2,0,0]=4 850 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,2,0,0,0,0|2,0,0]=4 851 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,2,0,0,0,0|1,0,0]=3 852 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,2,0,0,0,0|1,1,0]=4 853 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,2,0,0,0,0|1,0,0]=3 854 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,2,0,0,0,0|2,0,0]=4 855 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,2,0,0,0,0|2,0,0]=4 856 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,2,0,0,0,0|2,0,0]=4 857 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,2,0,0,0,0|2,0,0]=4 858 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|2,0,0]=4 859 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|2,0,0]=4 860 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|2,0,0]=4 861 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,2,0,0,0,0|0,0,2]=4 862 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|2,0,0]=4 863 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|2,0,0]=4 864 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|1,0,0]=3 865 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|1,0,0]=3 866 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|1,0,0]=3 867 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|2,0,0]=4 868 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|2,0,0]=4 869 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|1,0,0]=3 870 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|1,0,0]=3 871 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,2,0,0,0,0|1,0,0]=3 872 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|1,0,0]=3 873 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|1,0,1]=4 874 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,2,0,0,0,0|1,0,0]=3 875 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|1,0,0]=3 876 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,2,0,0,0,0|2,0,0]=4 877 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,2,0,0,0,0|1,0,1]=4 878 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|1,0,0]=3 879 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|1,0,0]=3 880 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|1,0,1]=4 881 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,2,0,0,0,0|1,0,0]=3 882 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,2,0,0,0,0|2,0,0]=4 883 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,2,0,0,0,0|2,0,0]=4 884 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,2,0,0,0,0|1,0,0]=3 885 B7R0.9 CC(O)CP(=O)(O)O CNP0083683.0 [0,2,0,0,0,0|2,0,0]=4 886 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,2,0,0,0,0|2,0,0]=4 887 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,2,0,0,0,0|2,0,0]=4 888 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,2,0,0,0,0|2,0,0]=4 889 B7R0.9 O=C(O)CP(=O)(O)O CNP0167519.0 [0,2,0,0,0,0|2,0,0]=4 890 B7R0.9 O=C(O)CS(=O)(=O)O CNP0082810.0 [0,2,0,0,0,0|2,0,0]=4 891 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,2,0,0,0,0|1,0,1]=4 893 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,2,0,0,0,0|1,0,1]=4 894 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,2,0,0,0,0|2,0,0]=4 895 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,2,0,0,0,0|2,0,0]=4 896 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,2,0,0,0,0|2,0,0]=4 897 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,2,0,0,0,0|1,0,1]=4 900 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|1,0,1]=4 901 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,2,0,0,0,0|1,0,0]=3 902 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,2,0,0,0,0|2,0,0]=4 903 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|1,0,0]=3 904 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,2,0,0,0,0|1,0,0]=3 905 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|1,0,0]=3 906 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,2,0,0,0,0|2,0,0]=4 907 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,2,0,0,0,0|1,0,0]=3 908 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,2,0,0,0,0|1,0,0]=3 909 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,2,0,0,0,0|0,0,1]=3 910 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,2,0,0,0,0|0,0,0]=2 912 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,2,0,0,0,0|0,0,0]=2 913 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|1,0,1]=4 914 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,2,0,0,0,0|1,0,0]=3 915 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,2,0,0,0,0|1,0,0]=3 916 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,2,0,0,0,0|1,0,0]=3 917 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,2,0,0,0,0|1,0,0]=3 918 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,2,0,0,0,0|1,0,0]=3 919 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,2,0,0,0,0|1,0,0]=3 920 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,2,0,0,0,0|1,0,0]=3 921 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,2,0,0,0,0|1,0,0]=3 922 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,2,0,0,0,0|1,0,0]=3 923 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,2,0,0,0,0|1,0,0]=3 924 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,2,0,0,0,0|1,0,0]=3 925 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,2,0,0,0,0|0,0,0]=2 926 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,2,0,0,0,0|0,0,0]=2 927 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,2,0,0,0,0|1,0,0]=3 928 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,2,0,0,0,0|1,0,0]=3 929 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,2,0,0,0,0|1,0,0]=3 930 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,2,0,0,0,0|2,0,0]=4 931 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,2,0,0,0,0|1,0,0]=3 932 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,2,0,0,0,0|1,0,0]=3 933 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,2,0,0,0,0|1,0,0]=3 934 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,2,0,0,0,0|1,0,1]=4 936 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,2,0,0,0,0|1,0,0]=3 937 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,2,0,0,0,0|1,0,0]=3 938 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,2,0,0,0,0|1,0,0]=3 939 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,2,0,0,0,0|1,0,0]=3 940 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,2,0,0,0,0|1,0,0]=3 941 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,2,0,0,0,0|2,0,0]=4 942 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|1,0,0]=3 943 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,2,0,0,0,0|1,0,0]=3 944 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|1,0,0]=3 945 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,2,0,0,0,0|2,0,0]=4 946 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|1,0,1]=4 947 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,2,0,0,0,0|1,0,0]=3 948 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,2,0,0,0,0|1,0,0]=3 949 B7R0.14 NC[C@H](O)P(=O)(O)O CNP0246536.1 [0,2,0,0,0,0|1,0,0]=3 950 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|1,0,1]=4 951 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,2,0,0,0,0|2,0,0]=4 952 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,2,0,0,0,0|2,0,0]=4 953 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,2,0,0,0,0|2,0,0]=4 954 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,2,0,0,0,0|1,0,0]=3 955 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|1,0,0]=3 956 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,2,0,0,0,0|1,0,0]=3 957 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,2,0,0,0,0|0,0,0]=2 958 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,2,0,0,0,0|1,0,0]=3 959 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,2,0,0,0,0|0,0,0]=2 960 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,2,0,0,0,0|1,0,0]=3 961 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,2,0,0,0,0|0,0,0]=2 962 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,2,0,0,0,0|1,0,1]=4 963 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,2,0,0,0,0|1,0,0]=3 964 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,2,0,0,0,0|1,0,0]=3 965 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,2,0,0,0,0|2,0,0]=4 966 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,2,0,0,0,0|1,0,0]=3 967 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,2,0,0,0,0|1,0,0]=3 968 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,2,0,0,0,0|2,0,0]=4 969 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,2,0,0,0,0|2,0,0]=4 970 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,2,0,0,0,0|2,0,0]=4 971 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,2,0,0,0,0|1,0,0]=3 972 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,2,0,0,0,0|2,0,0]=4 973 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,2,0,0,0,0|1,0,0]=3 974 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,2,0,0,0,0|2,0,0]=4 975 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,2,0,0,0,0|1,0,0]=3 976 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,2,0,0,0,0|2,0,0]=4 977 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,2,0,0,0,0|2,0,0]=4 978 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,2,0,0,0,0|1,0,0]=3 979 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,2,0,0,0,0|1,1,0]=4 980 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,2,0,0,0,0|1,0,0]=3 981 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,2,0,0,0,0|2,0,0]=4 982 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,2,0,0,0,0|2,0,0]=4 983 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,2,0,0,0,0|2,0,0]=4 984 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,2,0,0,0,0|2,0,0]=4 985 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,2,0,0,0,0|1,0,0]=3 986 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,2,0,0,0,0|0,0,0]=2 987 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,2,0,0,0,0|2,0,0]=4 988 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,2,0,0,0,0|2,0,0]=4 989 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,2,0,0,0,0|1,0,1]=4 990 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,2,0,0,0,0|0,0,1]=3 991 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,2,0,0,0,0|2,0,0]=4 992 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,2,0,0,0,0|1,0,0]=3 993 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,2,0,0,0,0|0,0,0]=2 994 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,2,0,0,0,0|0,0,0]=2 995 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [0,2,0,0,0,0|0,0,1]=3 996 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,2,0,0,0,0|1,0,0]=3 997 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,2,0,0,0,0|1,0,0]=3 998 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,2,0,0,0,0|1,0,0]=3 999 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,2,0,0,0,0|2,0,0]=4 1000 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,2,0,0,0,0|1,0,1]=4 1001 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,2,0,0,0,0|2,0,0]=4 1002 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,2,0,0,0,0|1,0,0]=3 1003 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,2,0,0,0,0|1,0,1]=4 1004 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,2,0,0,0,0|1,0,1]=4 1005 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,2,0,0,0,0|2,0,0]=4 1006 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,2,0,0,0,0|2,0,0]=4 1007 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,2,0,0,0,0|1,0,1]=4 1008 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,2,0,0,0,0|2,0,0]=4 1009 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,2,0,0,0,0|2,0,0]=4 1010 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,2,0,0,0,0|1,0,1]=4 1011 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,2,0,0,0,0|2,0,0]=4 1012 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,2,0,0,0,0|2,0,0]=4 1013 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|1,0,0]=3 1014 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,2,0,0,0,0|1,0,0]=3 1015 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,2,0,0,0,0|1,0,0]=3 1016 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,2,0,0,0,0|0,0,2]=4 1017 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,2,0,0,0,0|1,0,0]=3 1018 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,2,0,0,0,0|1,0,0]=3 1019 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,2,0,0,0,0|1,0,1]=4 1020 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,2,0,0,0,0|1,0,1]=4 1021 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,2,0,0,0,0|1,0,0]=3 1022 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,2,0,0,0,0|1,0,0]=3 1023 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,2,0,0,0,0|0,0,2]=4 1024 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,2,0,0,0,0|0,0,1]=3 1025 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,2,0,0,0,0|0,0,1]=3 1026 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,2,0,0,0,0|0,0,2]=4 1027 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,2,0,0,0,0|1,0,0]=3 1028 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,2,0,0,0,0|0,0,0]=2 1029 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,2,0,0,0,0|0,0,1]=3 1030 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,2,0,0,0,0|2,0,0]=4 1032 B7R0.6 O=C(Cl)CC[N+](=O)[O-] CNP0468600.0 [0,2,0,0,0,0|1,0,1]=4 1033 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,2,0,0,0,0|1,0,0]=3 1034 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,2,0,0,0,0|0,0,1]=3 1035 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,2,0,0,0,0|1,0,1]=4 1036 B7R0.6 O=C(O)CN[N+](=O)[O-] CNP0570107.0 [0,2,0,0,0,0|1,0,1]=4 1037 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,2,0,0,0,0|1,0,1]=4 1038 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [0,2,0,0,0,0|2,0,0]=4 1039 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [0,2,0,0,0,0|2,0,0]=4 1040 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [0,2,0,0,0,0|2,0,0]=4 1041 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [0,2,0,0,0,0|2,0,0]=4 1042 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [0,2,0,0,0,0|1,0,0]=3 1043 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [0,2,0,0,0,0|1,0,0]=3 1044 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [0,2,0,0,0,0|2,0,0]=4 1045 B7R0.8 NCCCS(=O)(=O)O CNP0214317.0 [0,2,0,0,0,0|1,0,0]=3 1046 B7R0.8 NCCOP(=O)(O)O CNP0179004.0 [0,2,0,0,0,0|1,0,0]=3 1047 B7R0.8 NCCOS(=O)(=O)O CNP0107858.0 [0,2,0,0,0,0|1,0,0]=3 1048 B7R0.8 O=P(O)(O)OCCO CNP0082124.0 [0,2,0,0,0,0|2,0,0]=4 1049 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|0,0,0]=2 1050 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|1,0,1]=4 1051 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|1,0,1]=4 1052 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|2,0,0]=4 1053 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,0]=3 1054 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|1,0,1]=4 1055 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|2,0,0]=4 1056 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|2,0,0]=4 1057 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|2,0,0]=4 1058 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,1]=4 1059 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|1,0,1]=4 1060 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,1,0,0|2,0,0]=4 1061 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|2,0,0]=4 1062 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|1,0,1]=4 1063 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|2,0,0]=4 1064 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|1,0,1]=4 1065 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|2,0,0]=4 1066 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|1,1,0]=4 1067 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,1,0,0|2,0,0]=4 1068 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|1,0,0]=3 1069 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|1,0,0]=3 1070 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|1,0,0]=3 1071 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|1,0,0]=3 1072 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|1,0,0]=3 1073 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,1,0,1,0,0|1,0,1]=4 1074 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|2,0,0]=4 1075 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|2,0,0]=4 1076 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|2,0,0]=4 1077 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,1,0,0|2,0,0]=4 1078 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,1,0,0|1,0,0]=3 1079 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|2,0,0]=4 1080 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|2,0,0]=4 1081 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|2,0,0]=4 1082 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|1,0,0]=3 1083 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|2,0,0]=4 1084 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|1,0,0]=3 1085 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|2,0,0]=4 1086 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,1,0,0|2,0,0]=4 1087 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,1,0,0|2,0,0]=4 1088 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,1,0,0|2,0,0]=4 1089 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,1,0,0|1,0,0]=3 1090 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,1,0,1,0,0|2,0,0]=4 1091 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,1,0,1,0,0|2,0,0]=4 1092 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,1,0,1,0,0|2,0,0]=4 1093 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|1,0,0]=3 1094 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,1,0,1,0,0|1,0,0]=3 1095 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|2,0,0]=4 1096 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,1,0,0|2,0,0]=4 1097 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,1,0,1,0,0|2,0,0]=4 1098 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,1,0,1,0,0|2,0,0]=4 1099 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,1,0,1,0,0|1,1,0]=4 1100 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|1,0,1]=4 1101 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|2,0,0]=4 1102 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|2,0,0]=4 1103 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|2,0,0]=4 1104 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|2,0,0]=4 1105 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|2,0,0]=4 1106 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|2,0,0]=4 1107 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|1,0,0]=3 1108 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|2,0,0]=4 1109 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|2,0,0]=4 1110 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|1,0,0]=3 1111 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|2,0,0]=4 1112 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|1,0,0]=3 1113 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,1,0,1,0,0|2,0,0]=4 1114 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,1,0,0|2,0,0]=4 1115 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|1,0,0]=3 1116 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|1,1,0]=4 1117 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,1,0,0|2,0,0]=4 1118 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|1,0,0]=3 1119 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|1,0,1]=4 1120 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|2,0,0]=4 1121 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|0,0,1]=3 1122 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|1,0,1]=4 1123 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|1,0,0]=3 1124 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,1,0,1,0,0|1,0,0]=3 1125 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,1,0,1,0,0|1,0,0]=3 1126 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,1,0,1,0,0|2,0,0]=4 1127 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,1,0,1,0,0|0,0,2]=4 1128 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|2,0,0]=4 1129 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|0,0,0]=2 1130 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|0,0,0]=2 1131 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,1,0,1,0,0|1,0,0]=3 1132 B7R1.19 O=C(O)C1(NN1)O CNP0312168.0 [0,1,0,1,0,0|1,0,0]=3