0 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,0,0,0,0,0|0,0,3]=3 1 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C=C(O)CCC CNP0003382.0 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,0,0,0,0,0|0,0,2]=2 8 B5R0.1 C=CCC(C)O CNP0594112.0 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 C=CCS(=S)O CNP0533091.0 [0,0,0,0,0,0|1,1,2]=4 10 B5R0.1 C=COC(=O)C CNP0003526.0 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CC(=O)CCO CNP0251527.0 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CC(C)C=CO CNP0546358.0 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,0,0,0,0,0|1,1,0]=2 21 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,0,0,0,0,0|0,0,0]=0 25 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,0,0,0,0,0|0,1,0]=1 26 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,0,0,0,0,0|1,1,0]=2 27 B5R0.1 CC=CC(C)C CNP0513218.0 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CC=CC(C)O CNP0150168.0 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.1 CC=CS(=S)O CNP0498878.0 [0,0,0,0,0,0|1,1,0]=2 30 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,0,0,0,0|1,0,1]=2 32 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.1 CCCC(=O)N CNP0115101.0 [0,0,0,0,0,0|1,0,2]=3 34 B5R0.1 CCCC(=O)O CNP0259447.0 [0,0,0,0,0,0|0,0,2]=2 35 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,0,0,0,0,0|0,0,3]=3 36 B5R0.1 CCCC(O)O CNP0076336.0 [0,0,0,0,0,0|0,0,4]=4 37 B5R0.1 CCCS(=S)O CNP0558357.0 [0,0,0,0,0,0|1,1,2]=4 38 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,0,0,0,0|1,0,3]=4 39 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,0,0,0,0|1,0,3]=4 40 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.1 CCNC(=S)N CNP0415621.0 [0,0,0,0,0,0|2,1,1]=4 42 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 CCOC(=O)N CNP0336700.0 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 CCOC(=O)O CNP0166515.0 [0,0,0,0,0,0|1,0,1]=2 45 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 CCSC(=N)N CNP0528738.0 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CN=CC(C)C CNP0149349.0 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CNCC(=O)O CNP0307073.0 [0,0,0,0,0,0|1,0,1]=2 51 B5R0.1 CNCC(=O)O CNP0563704.0 [0,0,0,0,0,0|1,0,1]=2 52 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,0,0,0,0,0|1,0,2]=3 53 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 COCC(=O)O CNP0343219.0 [0,0,0,0,0,0|1,0,1]=2 55 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.1 CSCC(=O)O CNP0447839.0 [0,0,0,0,0,0|1,0,1]=2 57 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,0,0,0,0,0|1,0,1]=2 59 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,0,0,0,0,0|1,0,1]=2 60 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,0,0,0,0,0|1,0,2]=3 62 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.1 NCCC(=O)O CNP0226336.0 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.1 NCCP(=O)O CNP0498602.0 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.1 NCNC(=O)N CNP0046326.0 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 NOCC(=O)O CNP0293826.0 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,0,0,0,0,0|1,0,0]=1 70 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,0,0,0,0,0|1,0,0]=1 71 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,0,0,0,0,0|1,0,0]=1 72 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,0,0,0,0,0|2,0,0]=2 73 B5R0.1 O=C(O)CCO CNP0228379.0 [0,0,0,0,0,0|1,0,2]=3 74 B5R0.1 O=C(O)CCS CNP0097385.0 [0,0,0,0,0,0|1,0,2]=3 75 B5R0.1 O=C(O)CNO CNP0316873.0 [0,0,0,0,0,0|2,0,1]=3 76 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,0,0,0,0,0|1,0,1]=2 78 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,0,0,0,0,0|1,0,2]=3 79 B4R0.1 C#CC(=O)N CNP0485881.0 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,0,0,0,0|0,0,2]=3 81 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|0,0,0]=1 90 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|0,0,1]=2 91 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|3,0,0]=4 103 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(C)C CNP0502707.0 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,1,1]=4 108 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,0,1]=3 112 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|0,0,1]=2 114 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|0,0,2]=3 115 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|0,0,2]=3 116 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|0,0,2]=3 117 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|0,0,3]=4 118 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|0,1,2]=4 119 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.1 CN=C(N)N CNP0588415.0 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 CNC(=N)N CNP0590894.0 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|2,0,0]=3 126 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|1,0,0]=2 127 B4R0.1 CNC(=S)N CNP0572685.0 [1,0,0,0,0,0|2,1,0]=4 128 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|1,2,0]=4 129 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|1,0,0]=2 137 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|1,0,2]=4 144 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,0,0,0,0|3,0,0]=4 147 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|1,0,1]=3 149 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|1,0,1]=3 152 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|1,0,0]=2 153 B4R0.2 C#CC=CC CNP0541501.0 [1,0,0,0,0,0|1,0,1]=3 154 B4R0.2 C#CCC=O CNP0596193.0 [1,0,0,0,0,0|0,0,3]=4 155 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 156 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|1,0,0]=2 157 B4R0.2 C=CC=NO CNP0532391.0 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.2 C=CCC=C CNP0494589.0 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|0,0,3]=4 161 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|1,0,2]=4 163 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.2 C=CSC=C CNP0525399.0 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 CC=CC#N CNP0588304.0 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|0,0,0]=1 169 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,1]=3 170 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|0,0,1]=2 171 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|0,1,1]=3 172 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|1,0,0]=2 174 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|0,0,3]=4 175 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|1,0,1]=3 176 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|1,0,1]=3 177 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|0,0,2]=3 178 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|0,0,3]=4 179 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|1,0,1]=3 181 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 CN=CC=S CNP0547393.0 [1,0,0,0,0,0|1,1,0]=3 183 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|1,0,2]=4 184 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,2]=4 185 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,0,1]=3 186 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|1,0,2]=4 187 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|1,0,0]=2 190 B4R0.2 O=CCC=O CNP0495847.0 [1,0,0,0,0,0|1,0,1]=3 191 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,2]=4 192 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,1]=3 193 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [0,1,0,0,0,0|1,1,1]=4 194 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [0,1,0,0,0,0|1,1,1]=4 195 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|1,0,2]=4 197 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|1,0,0]=2 205 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,0,0,0,0|0,0,0]=1 206 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,1,0,0,0,0|1,1,0]=3 207 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|1,0,2]=4 212 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,1,0,0,0,0|1,0,2]=4 213 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|0,0,3]=4 214 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|0,0,2]=3 216 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|0,0,2]=3 217 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|0,1,2]=4 218 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,0,0,0,0|1,0,1]=3 220 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,0,0,0,0|1,0,2]=4 221 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,0,0,0,0|1,0,1]=3 226 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|1,0,1]=3 231 B6R0.1 COC(=O)CSC CNP0189712.0 [0,1,0,0,0,0|1,0,1]=3 232 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,1,0,0,0,0|0,0,2]=3 235 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,1,0,0,0,0|0,0,2]=3 236 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,1,0,0,0,0|0,0,0]=1 239 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,1,0,0,0,0|0,0,0]=1 240 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,1,0,0,0,0|1,0,2]=4 244 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,1,0,0,0,0|1,0,0]=2 246 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,1,0,0,0,0|0,0,1]=2 249 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,0,0,0,0|1,0,2]=4 250 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,0,0,0,0|1,0,2]=4 251 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,1,0,0,0,0|2,1,0]=4 256 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,1,0,0,0,0|2,1,0]=4 260 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,1,0,0,0,0|1,0,2]=4 262 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,0,0,0,0|1,0,2]=4 264 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,0,0,0,0|1,0,1]=3 267 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,1,0,0,0,0|0,0,2]=3 268 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,0,0,0,0|0,0,2]=3 269 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,1,0,0,0,0|0,0,2]=3 270 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,0,0,0,0|0,0,2]=3 271 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,0,0,0,0|0,0,2]=3 272 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,0,0,0,0|0,0,2]=3 273 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,1,0,0,0,0|1,0,0]=2 283 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,1,0,0,0,0|1,0,0]=2 284 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,1,0,0,0,0|1,0,0]=2 285 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,1,0,0,0,0|0,0,3]=4 287 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|0,0,1]=2 289 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,1,0,0,0,0|0,0,1]=2 293 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,1,0,0,0,0|0,0,2]=3 294 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,1,0,0,0,0|0,0,2]=3 295 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|2,0,0]=3 296 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,1,0,0,0,0|2,0,0]=3 297 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|1,0,0]=2 299 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,1,0,0,0,0|1,0,0]=2 300 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|0,0,0]=1 301 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|0,0,0]=1 302 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|0,0,1]=2 305 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|1,0,2]=4 309 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|0,0,2]=3 312 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|0,0,2]=3 313 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|0,0,2]=3 315 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|1,0,2]=4 317 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|1,0,2]=4 318 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|0,0,2]=3 319 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|0,0,2]=3 320 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|0,0,2]=3 321 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|1,0,1]=3 323 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|1,0,1]=3 324 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|2,0,0]=3 325 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|1,0,0]=2 327 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,0,0,0,0|1,0,1]=3 333 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|1,0,2]=4 334 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|1,0,2]=4 336 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,2]=4 337 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|1,0,2]=4 339 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|1,0,2]=4 341 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|1,0,2]=4 343 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,0,0,0,0|1,0,2]=4 344 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,0,0,0,0|1,0,2]=4 345 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,0,0,0,0|1,0,2]=4 348 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|1,0,2]=4 349 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,0,0,0,0|1,0,2]=4 350 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,0,0,0,0|1,0,2]=4 351 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,1,0,0,0,0|1,0,0]=2 352 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,1,0,0,0,0|1,0,0]=2 353 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,1,0,0,0,0|1,0,0]=2 354 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|1,0,0]=2 355 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|1,0,1]=3 356 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|1,0,1]=3 357 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,0,0,0,0|1,0,2]=4 358 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|1,0,2]=4 359 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,0,0,0,0|1,0,2]=4 360 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,0,0,0,0|1,0,2]=4 361 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|1,0,2]=4 362 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|1,0,2]=4 363 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,1,0,0,0,0|1,0,0]=2 364 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,0,0,0,0|1,0,1]=3 365 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,0,0,0,0|1,0,2]=4 366 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,1,0,0,0,0|0,0,3]=4 367 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,1,0,0,0,0|0,0,1]=2 372 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,0,0,0,0|1,0,2]=4 373 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,1,0,0,0,0|1,0,2]=4 374 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,1,0,0,0,0|0,0,2]=3 375 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,1,0,0,0,0|1,0,2]=4 376 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,0,0,0,0|1,0,2]=4 377 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,0,0,0,0|0,0,0]=1 389 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,1,0,0,0,0|1,0,1]=3 391 B6R0.4 CC=CCS(=S)O CNP0514093.0 [0,1,0,0,0,0|1,1,0]=3 392 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,0,0,0,0|1,0,0]=2 393 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,1,0,0,0,0|0,0,0]=1 394 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|1,0,1]=3 395 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|1,0,2]=4 396 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,0,0,0,0|1,0,2]=4 397 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,1,0,0,0,0|0,0,2]=3 398 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,1,0,0,0,0|0,0,2]=3 399 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|1,0,2]=4 401 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|1,0,2]=4 402 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,0,0,0,0|0,0,2]=3 403 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,0,0,0,0|1,0,2]=4 404 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,1,0,0,0,0|0,0,2]=3 405 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,0,0,0,0|0,0,2]=3 406 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,0,0,0,0|2,0,1]=4 407 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,1,0,0,0,0|1,0,0]=2 408 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,1,0,0,0,0|0,0,0]=1 409 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,0,0,0,0|1,0,2]=4 410 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,1,0,0,0,0|1,0,2]=4 411 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,1,0,0,0,0|0,0,2]=3 412 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,1,0,0,0,0|0,0,3]=4 414 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,1,0,0,0,0|1,0,1]=3 418 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,0,0,0,0|1,0,2]=4 419 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,1,0,0,0,0|0,0,0]=1 420 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,0,0,0,0|0,0,2]=3 421 B6R0.4 NN=CC=C(Br)Br CNP0281525.0 [0,1,0,0,0,0|3,0,0]=4 422 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,1,0,0,0,0|0,0,0]=1 423 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,0,0,0,0|0,0,2]=3 424 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,0,0,0,0|0,0,3]=4 425 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,1,0,0,0,0|1,0,1]=3 426 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,1,0,0,0,0|1,0,1]=3 427 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,1,0,0,0,0|2,0,1]=4 428 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [0,1,0,0,0,0|2,0,1]=4 429 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.5 O=CCP(=O)(O)O CNP0261749.0 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.5 O=CCS(=O)(=O)O CNP0314402.0 [0,1,0,0,0,0|2,0,1]=4 432 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,0,0,1,0,0|2,0,1]=4 433 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|2,0,0]=3 434 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,1,0,0|2,0,1]=4 435 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,1,0,0|1,0,1]=3 436 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,1,0,0|1,1,1]=4 437 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|2,0,1]=4 438 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|1,1,1]=4 439 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,1,0,0|3,0,0]=4 440 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,1,0,0|3,0,0]=4 441 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|3,0,0]=4 442 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,1,0,0|3,0,0]=4 443 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|2,0,1]=4 444 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,0,0,1,0,0|3,0,0]=4 445 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|1,0,0]=2 446 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,1,0,0|0,0,0]=1 447 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,1,0,0|2,0,0]=3 448 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,1,0,0|1,0,0]=2 449 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,1,0,0|1,0,0]=2 450 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,1,0,0|0,0,2]=3 451 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|1,0,2]=4 452 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,1,0,0|1,0,2]=4 453 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|0,0,2]=3 454 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|0,1,2]=4 455 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,1,0,0|3,0,0]=4 456 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|2,0,1]=4 457 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|3,0,0]=4 458 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|2,0,1]=4 459 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,1,0,0|3,0,0]=4 460 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,1,0,0|1,0,1]=3 461 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,1,0,0|1,0,1]=3 462 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,0,0,1,0,0|0,0,2]=3 463 B6R1.2 OC1=CON=C1 CNP0302207.0 [0,0,0,1,0,0|3,0,0]=4 464 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,1,0,0|1,0,2]=4 465 B6R1.2 OC1=NNC=N1 CNP0175966.0 [0,0,0,1,0,0|3,0,0]=4 466 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|3,0,0]=4 467 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,0,0,1,0,0|1,2,0]=4 468 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,1,0,0|1,1,1]=4 469 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,0,0,1,0,0|0,2,1]=4 470 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,1,0,0|2,1,0]=4 471 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,1,0,0|1,1,1]=4 472 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,1,0,0|0,0,2]=3 473 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,1,0,0|1,0,2]=4 474 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,0,0,1,0,0|2,0,1]=4 475 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 476 B3R0.1 C=C=CBr CNP0595246.0 [2,0,0,0,0,0|1,0,1]=4 477 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,1]=3 478 B3R0.1 C=CC#N CNP0580732.0 [2,0,0,0,0,0|1,0,1]=4 479 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,1]=3 480 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,0]=2 481 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|0,1,0]=3 482 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,1]=3 483 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,1]=4 484 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,1]=3 485 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,1,1]=4 486 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,0]=3 487 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,0]=3 488 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,1]=3 489 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,0]=3 490 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,0]=3 491 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [2,0,0,0,0,0|2,0,0]=4 492 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,1]=3 493 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 494 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,2]=4 495 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,1]=4 496 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,1]=4 497 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,1]=4 498 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 499 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 500 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,0]=3 501 B3R0.1 ClC=CCl CNP0610334.0 [2,0,0,0,0,0|2,0,0]=4 502 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|1,1,0]=4 503 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,1]=4 504 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,0]=3 506 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,1]=4 509 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,0]=3 510 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|2,0,0]=4 511 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|1,0,0]=3 512 B3R0.2 C=C(Cl)Cl CNP0573882.0 [2,0,0,0,0,0|2,0,0]=4 513 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 514 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|1,0,0]=3 515 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,0]=3 516 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,0]=3 517 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,0]=2 518 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|0,0,1]=3 519 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,1,0]=4 520 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|1,0,1]=4 521 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,0]=3 522 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|1,1,0]=4 523 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|2,0,0]=4 524 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|1,0,1]=4 525 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,0]=3 526 B3R0.2 NC(=O)N CNP0520286.0 [2,0,0,0,0,0|2,0,0]=4 527 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|1,0,0]=3 528 B3R0.2 N[14C](=O)N CNP0600423.0 [2,0,0,0,0,0|2,0,0]=4 529 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|1,0,0]=3 530 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|1,0,0]=3 531 B3R0.2 O=P(O)O CNP0517495.0 [2,0,0,0,0,0|2,0,0]=4 532 B3R0.2 O=S(=O)O CNP0578309.0 [2,0,0,0,0,0|2,0,0]=4 533 B3R0.2 O=S(O)O CNP0520227.0 [2,0,0,0,0,0|2,0,0]=4 534 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.2 O=[N+]([O-])O CNP0534371.0 [2,0,0,0,0,0|2,0,0]=4 536 B3R0.2 O=[Se](O)O CNP0605088.0 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.2 O=[Si](O)O CNP0567325.0 [2,0,0,0,0,0|1,1,0]=4 538 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,1,0,0,0,0|0,0,2]=4 539 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,1,0,0,0,0|2,0,0]=4 541 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,1,0,0,0,0|0,0,0]=2 543 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|1,0,1]=4 545 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [1,1,0,0,0,0|1,0,1]=4 547 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|1,0,1]=4 548 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|1,0,0]=3 549 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|2,0,0]=4 550 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|1,0,0]=3 551 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,1,0,0,0,0|0,0,2]=4 552 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|1,0,1]=4 553 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|0,0,1]=3 554 B5R0.3 CCC(=O)NN CNP0281170.0 [1,1,0,0,0,0|1,0,1]=4 555 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|0,0,1]=3 556 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|0,1,1]=4 557 B5R0.3 CNC(=O)NC CNP0028412.0 [1,1,0,0,0,0|2,0,0]=4 558 B5R0.3 CNC(=O)OC CNP0483114.0 [1,1,0,0,0,0|1,0,0]=3 559 B5R0.3 COC(=O)CI CNP0017842.0 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.3 COC(=O)NN CNP0033099.0 [1,1,0,0,0,0|2,0,0]=4 561 B5R0.3 NCC(=O)NO CNP0470573.0 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.3 O=C(CO)CO CNP0303926.0 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,1,0,0,0,0|1,0,0]=3 565 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,1,0,0,0,0|1,0,1]=4 566 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|1,0,1]=4 567 B5R0.4 C=CS(=O)(=O)O CNP0571857.0 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.4 CCP(=O)(O)O CNP0534713.0 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.4 COP(=O)(O)O CNP0100207.0 [1,1,0,0,0,0|2,0,0]=4 571 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,1,0,0,0,0|2,0,0]=4 572 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|1,0,0]=3 573 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,1,0,0,0,0|1,0,0]=3 574 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,1,0,0,0,0|1,0,0]=3 575 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|0,0,0]=2 576 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [1,1,0,0,0,0|1,0,0]=3 579 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [1,1,0,0,0,0|1,0,0]=3 580 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,1,0,0,0,0|0,0,0]=2 581 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,1,0,0,0,0|0,0,0]=2 583 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,1,0,0,0,0|0,0,0]=2 584 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|2,0,0]=4 586 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|1,0,0]=3 587 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,1,0,0,0,0|0,0,0]=2 588 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|1,0,0]=3 589 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,1,0,0,0,0|1,0,0]=3 590 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,1,0,0,0,0|0,0,0]=2 591 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|1,0,1]=4 592 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|1,0,1]=4 593 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|0,0,2]=4 594 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|2,0,0]=4 595 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|0,0,1]=3 600 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|0,0,2]=4 601 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|0,0,2]=4 602 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|0,0,2]=4 603 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|0,0,2]=4 604 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|0,0,2]=4 605 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|0,0,1]=3 606 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|0,0,1]=3 607 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|0,0,1]=3 608 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|0,0,1]=3 609 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|0,0,1]=3 610 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,1,0,0,0,0|2,0,0]=4 611 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,1,0,0,0,0|1,0,0]=3 612 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|1,0,1]=4 613 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [1,1,0,0,0,0|2,0,0]=4 614 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,1,0,0,0,0|1,0,0]=3 615 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,1,0,0,0,0|1,0,1]=4 616 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|1,0,1]=4 619 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,1,0,0,0,0|1,0,1]=4 620 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,1,0,0,0,0|1,0,0]=3 624 B5R0.2 C=C=CCC=O CNP0509236.0 [1,1,0,0,0,0|0,0,2]=4 625 B5R0.2 C=CC=CC=C CNP0612137.0 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.2 C=CC=CC=O CNP0022566.0 [1,1,0,0,0,0|0,0,1]=3 627 B5R0.2 C=CC=CCC CNP0495438.0 [1,1,0,0,0,0|1,0,0]=3 628 B5R0.2 C=CCC=CC CNP0292090.0 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.2 C=CCCC=O CNP0076959.0 [1,1,0,0,0,0|0,0,2]=4 630 B5R0.2 C=CCOC=O CNP0541341.0 [1,1,0,0,0,0|0,0,2]=4 631 B5R0.2 CC=C=CCO CNP0426440.0 [1,1,0,0,0,0|0,0,1]=3 632 B5R0.2 CC=C=COC CNP0519318.0 [1,1,0,0,0,0|0,0,1]=3 633 B5R0.2 CC=CC=CC CNP0611428.0 [1,1,0,0,0,0|1,0,0]=3 634 B5R0.2 CC=CCC#N CNP0080085.0 [1,1,0,0,0,0|1,0,1]=4 635 B5R0.2 CC=CCC=O CNP0167409.0 [1,1,0,0,0,0|0,0,0]=2 636 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|1,0,1]=4 637 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|0,0,1]=3 638 B5R0.2 CC=CSSC CNP0214071.0 [1,1,0,0,0,0|1,1,0]=4 639 B5R0.2 CCC=CC#N CNP0080058.0 [1,1,0,0,0,0|1,0,1]=4 640 B5R0.2 CCC=CC=O CNP0328747.0 [1,1,0,0,0,0|0,0,0]=2 641 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|0,0,1]=3 642 B5R0.2 CCC=CSC CNP0068372.0 [1,1,0,0,0,0|0,1,1]=4 643 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|0,0,1]=3 644 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|0,0,1]=3 645 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|0,0,2]=4 646 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|0,0,2]=4 647 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|0,0,2]=4 648 B5R0.2 COC=COC CNP0416791.0 [1,1,0,0,0,0|1,0,0]=3 649 B5R0.2 CSC=CSC CNP0075985.0 [1,1,0,0,0,0|1,1,0]=4 650 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|0,0,2]=4 651 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|0,0,2]=4 652 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|0,0,0]=2 653 B5R0.2 O=CCCC=O CNP0053830.0 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|0,0,1]=3 655 B5R0.2 ON=CC=NO CNP0213631.0 [1,1,0,0,0,0|2,0,0]=4 656 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,2,0,0,0,0|0,0,2]=4 657 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|0,0,2]=4 660 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,2,0,0,0,0|1,0,0]=3 661 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|0,0,0]=2 662 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,2,0,0,0,0|1,0,0]=3 663 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|0,0,0]=2 664 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|0,0,1]=3 666 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|0,0,2]=4 668 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|0,0,2]=4 669 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|0,0,2]=4 670 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,2,0,0,0,0|0,0,0]=2 674 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,2,0,0,0,0|0,0,1]=3 675 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,2,0,0,0,0|0,0,1]=3 676 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,2,0,0,0,0|0,0,2]=4 677 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,2,0,0,0,0|0,0,2]=4 678 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,2,0,0,0,0|0,0,2]=4 680 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|0,0,2]=4 681 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,2,0,0,0,0|1,0,1]=4 682 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,2,0,0,0,0|0,0,2]=4 685 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,2,0,0,0,0|0,0,2]=4 686 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,2,0,0,0,0|0,0,2]=4 687 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,2,0,0,0,0|0,0,2]=4 688 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,2,0,0,0,0|0,0,2]=4 689 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,2,0,0,0,0|1,0,1]=4 690 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|0,0,2]=4 691 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,2,0,0,0,0|0,0,1]=3 693 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|0,0,2]=4 694 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,2,0,0,0,0|0,0,2]=4 697 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,2,0,0,0,0|0,0,2]=4 700 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,2,0,0,0,0|0,0,2]=4 701 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,2,0,0,0,0|0,0,2]=4 702 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,2,0,0,0,0|0,0,1]=3 705 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,2,0,0,0,0|0,0,2]=4 707 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,2,0,0,0,0|0,0,0]=2 708 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,2,0,0,0,0|0,0,1]=3 711 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|0,0,1]=3 712 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,2,0,0,0,0|0,0,1]=3 714 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,2,0,0,0,0|0,0,1]=3 715 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,2,0,0,0,0|0,0,2]=4 716 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,2,0,0,0,0|0,0,2]=4 717 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,2,0,0,0,0|0,0,2]=4 718 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|0,0,0]=2 719 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,2,0,0,0,0|0,0,0]=2 722 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|0,0,0]=2 723 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|0,0,0]=2 724 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|0,0,1]=3 727 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|0,0,2]=4 728 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|0,0,2]=4 729 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|0,0,2]=4 730 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|0,0,2]=4 731 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|0,0,2]=4 732 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|0,0,2]=4 733 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|0,0,2]=4 734 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|1,0,1]=4 736 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,2,0,0,0,0|0,0,2]=4 739 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,2,0,0,0,0|0,0,2]=4 740 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,2,0,0,0,0|0,0,2]=4 741 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,2,0,0,0,0|0,0,2]=4 742 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|0,0,2]=4 743 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|0,0,2]=4 744 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,2,0,0,0,0|0,0,2]=4 745 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|0,0,2]=4 746 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|0,0,2]=4 747 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|0,0,2]=4 749 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,2,0,0,0,0|0,0,2]=4 750 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,2,0,0,0,0|0,0,2]=4 751 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,2,0,0,0,0|0,0,2]=4 754 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|0,0,1]=3 755 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|0,0,2]=4 756 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,2,0,0,0,0|0,0,2]=4 758 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|2,0,0]=4 759 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,2,0,0,0,0|0,1,0]=3 762 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,2,0,0,0,0|0,0,0]=2 763 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,2,0,0,0,0|0,0,2]=4 765 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,2,0,0,0,0|1,0,1]=4 769 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,2,0,0,0,0|1,0,1]=4 772 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|0,0,0]=2 776 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,2,0,0,0,0|2,0,0]=4 777 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|0,0,2]=4 779 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|0,0,2]=4 780 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|0,0,2]=4 781 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,2,0,0,0,0|1,0,0]=3 785 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,2,0,0,0,0|1,0,0]=3 786 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,2,0,0,0,0|1,0,0]=3 788 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,2,0,0,0,0|2,0,0]=4 793 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,2,0,0,0,0|2,0,0]=4 794 B7R0.11 CC=CS(=O)(=O)SC CNP0192483.0 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.9 CC(=O)OP(=O)(O)O CNP0284907.0 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,2,0,0,0,0|0,0,2]=4 797 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,2,0,0,0,0|1,0,1]=4 800 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,2,0,0,0,0|0,0,1]=3 801 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,2,0,0,0,0|0,0,1]=3 802 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,2,0,0,0,0|0,0,0]=2 803 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,2,0,0,0,0|0,0,0]=2 804 B7R0.16 CC(=O)C(=C(Br)Br)Br CNP0266625.0 [0,2,0,0,0,0|2,0,0]=4 805 B7R0.16 CC(=O)C(=C(Br)Br)Cl CNP0369755.0 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,2,0,0,0,0|0,0,0]=2 807 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,2,0,0,0,0|0,0,1]=3 808 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,2,0,0,0,0|1,0,1]=4 809 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,2,0,0,0,0|1,0,1]=4 810 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,2,0,0,0,0|0,0,1]=3 811 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,2,0,0,0,0|0,0,1]=3 813 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|0,0,1]=3 816 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,2,0,0,0,0|0,0,2]=4 817 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|0,0,2]=4 818 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,2,0,0,0,0|0,0,2]=4 819 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|0,0,2]=4 820 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,2,0,0,0,0|0,0,2]=4 822 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,2,0,0,0,0|0,0,2]=4 823 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,2,0,0,0,0|1,0,1]=4 824 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,2,0,0,0,0|1,0,1]=4 825 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,2,0,0,0,0|0,0,2]=4 826 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,2,0,0,0,0|0,0,2]=4 827 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|0,0,1]=3 828 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,2,0,0,0,0|0,0,2]=4 829 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,2,0,0,0,0|0,0,2]=4 830 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,2,0,0,0,0|0,0,2]=4 831 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,2,0,0,0,0|0,0,2]=4 832 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,2,0,0,0,0|0,0,2]=4 833 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,2,0,0,0,0|0,0,2]=4 834 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,2,0,0,0,0|0,0,2]=4 835 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,2,0,0,0,0|0,0,2]=4 836 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,2,0,0,0,0|0,0,2]=4 837 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,2,0,0,0,0|0,0,2]=4 838 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,2,0,0,0,0|0,0,2]=4 839 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,2,0,0,0,0|0,0,2]=4 840 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,2,0,0,0,0|0,0,2]=4 841 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,2,0,0,0,0|0,0,2]=4 842 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,2,0,0,0,0|0,0,2]=4 843 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,2,0,0,0,0|0,0,2]=4 844 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,2,0,0,0,0|0,0,2]=4 845 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,2,0,0,0,0|0,0,2]=4 846 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,2,0,0,0,0|0,0,2]=4 847 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.16 O=C(O)C(=C(Br)Br)Br CNP0296923.0 [0,2,0,0,0,0|1,0,0]=3 849 B7R0.16 O=C(O)C(=C(Br)Br)I CNP0355639.0 [0,2,0,0,0,0|1,0,0]=3 850 B7R0.16 O=C(O)C(=C(Br)I)Br CNP0305118.0 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,2,0,0,0,0|1,0,0]=3 852 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,2,0,0,0,0|0,0,2]=4 854 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,2,0,0,0,0|0,0,2]=4 855 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,2,0,0,0,0|0,0,2]=4 856 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|0,0,2]=4 857 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,2,0,0,0,0|0,0,2]=4 858 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|0,0,2]=4 859 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,2,0,0,0,0|1,0,1]=4 860 B7R0.14 O=P(O)(O)C(=CCl)O CNP0334311.0 [0,2,0,0,0,0|2,0,0]=4 861 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|0,0,0]=2 862 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,2,0,0,0,0|0,0,0]=2 863 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,2,0,0,0,0|0,0,2]=4 864 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|0,0,2]=4 865 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,2,0,0,0,0|0,0,2]=4 866 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,2,0,0,0,0|1,0,1]=4 867 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,2,0,0,0,0|1,0,1]=4 869 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,2,0,0,0,0|1,0,1]=4 870 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,2,0,0,0,0|1,0,0]=3 871 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,2,0,0,0,0|2,0,0]=4 872 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,2,0,0,0,0|2,0,0]=4 873 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,2,0,0,0,0|0,0,2]=4 874 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,2,0,0,0,0|0,0,2]=4 875 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,2,0,0,0,0|1,0,1]=4 876 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,2,0,0,0,0|1,0,1]=4 877 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,2,0,0,0,0|1,0,1]=4 878 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,2,0,0,0,0|1,0,0]=3 879 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,2,0,0,0,0|0,0,0]=2 880 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,2,0,0,0,0|0,0,0]=2 881 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,2,0,0,0,0|1,0,0]=3 882 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,2,0,0,0,0|0,0,0]=2 883 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,2,0,0,0,0|1,0,1]=4 884 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,2,0,0,0,0|1,0,0]=3 885 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,2,0,0,0,0|0,0,0]=2 886 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,2,0,0,0,0|0,0,2]=4 887 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,2,0,0,0,0|0,0,2]=4 888 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,2,0,0,0,0|0,0,2]=4 889 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,2,0,0,0,0|0,0,2]=4 890 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,2,0,0,0,0|0,0,2]=4 891 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,2,0,0,0,0|0,0,2]=4 892 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,2,0,0,0,0|0,0,2]=4 893 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [0,2,0,0,0,0|1,0,1]=4 894 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,2,0,0,0,0|0,0,2]=4 895 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,2,0,0,0,0|0,0,2]=4 896 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,2,0,0,0,0|0,0,2]=4 897 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,2,0,0,0,0|2,0,0]=4 899 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,2,0,0,0,0|0,0,0]=2 900 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,2,0,0,0,0|1,0,0]=3 901 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,2,0,0,0,0|0,0,0]=2 902 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,2,0,0,0,0|1,0,0]=3 903 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,2,0,0,0,0|1,0,1]=4 904 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,2,0,0,0,0|0,0,1]=3 905 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,2,0,0,0,0|0,0,2]=4 906 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,2,0,0,0,0|0,0,2]=4 907 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,2,0,0,0,0|1,0,1]=4 908 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,2,0,0,0,0|0,0,1]=3 909 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,2,0,0,0,0|2,0,0]=4 910 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,2,0,0,0,0|2,0,0]=4 912 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,2,0,0,0,0|2,0,0]=4 913 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,2,0,0,0,0|1,0,0]=3 914 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,2,0,0,0,0|0,0,0]=2 915 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|0,0,2]=4 916 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,2,0,0,0,0|1,0,1]=4 917 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,2,0,0,0,0|0,0,2]=4 918 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,2,0,0,0,0|0,0,2]=4 919 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,2,0,0,0,0|0,0,2]=4 920 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,2,0,0,0,0|0,0,2]=4 921 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,2,0,0,0,0|0,0,2]=4 922 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,2,0,0,0,0|0,0,2]=4 923 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,2,0,0,0,0|0,0,1]=3 924 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,2,0,0,0,0|1,0,1]=4 925 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [0,2,0,0,0,0|0,0,1]=3 926 B7R0.6 NC(=CC=C(N)O)O CNP0445751.0 [0,2,0,0,0,0|1,0,1]=4 927 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,2,0,0,0,0|1,0,1]=4 928 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,2,0,0,0,0|1,0,1]=4 929 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,2,0,0,0,0|0,0,1]=3 930 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,2,0,0,0,0|1,0,1]=4 931 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,2,0,0,0,0|1,0,1]=4 932 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [0,2,0,0,0,0|1,0,1]=4 933 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,2,0,0,0,0|0,0,1]=3 934 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,2,0,0,0,0|1,0,1]=4 936 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,2,0,0,0,0|0,0,1]=3 937 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,2,0,0,0,0|0,0,2]=4 938 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,2,0,0,0,0|0,0,2]=4 939 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,2,0,0,0,0|0,0,2]=4 940 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,2,0,0,0,0|0,0,2]=4 941 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,2,0,0,0,0|0,0,2]=4 942 B7R0.8 CC=COS(=O)(=S)O CNP0495659.0 [0,2,0,0,0,0|1,0,0]=3 943 B7R0.8 CC=CSS(=O)(=O)C CNP0380331.0 [0,2,0,0,0,0|1,0,1]=4 944 B7R0.8 CC=CSS(=O)(=O)O CNP0080223.0 [0,2,0,0,0,0|1,0,0]=3 945 B7R0.8 CS(=O)(=O)C=CCO CNP0185981.0 [0,2,0,0,0,0|1,0,1]=4 946 B7R0.8 NC=COP(=O)(O)O CNP0538974.0 [0,2,0,0,0,0|2,0,0]=4 947 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|0,0,1]=3 948 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|2,0,0]=4 949 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,1,0,0|1,0,0]=3 950 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,1]=4 951 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|0,0,1]=3 952 B5R1.1 C1=CNC=C1 CNP0578490.0 [1,0,0,1,0,0|1,0,1]=4 953 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,1]=4 954 B5R1.1 C1=CNN=C1 CNP0583187.0 [1,0,0,1,0,0|2,0,0]=4 955 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,1,0,0|0,0,1]=3 956 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,1]=3 957 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,1,0,0|1,0,0]=3 958 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,1,0,0|0,1,1]=4 959 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,1,1]=4 960 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,1,0,0|1,1,0]=4 961 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,1,0,0|1,1,0]=4 962 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,1,0,1,0,0|1,0,1]=4 963 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,1,0,1,0,0|1,0,1]=4 964 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,1,0,1,0,0|1,0,1]=4 965 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,1,0,1,0,0|2,0,0]=4 966 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,1,0,1,0,0|1,0,1]=4 967 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,1,0,1,0,0|1,0,1]=4 968 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,1,0,0|0,0,1]=3 969 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,1,0,1,0,0|0,1,1]=4 970 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,1,0,1,0,0|2,0,0]=4 971 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,1,0,0|2,0,0]=4 972 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,1,0,1,0,0|0,0,2]=4 973 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,1,0,1,0,0|0,1,1]=4 974 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,1,0,1,0,0|2,0,0]=4 975 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,1,0,1,0,0|2,0,0]=4 976 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,1,0,1,0,0|0,1,1]=4 977 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,1,0,0|0,0,1]=3 978 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,1,0,1,0,0|0,1,0]=3 979 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,1,0,1,0,0|0,2,0]=4 980 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,1,0,1,0,0|0,0,1]=3 981 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|1,0,0]=3 982 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|0,0,0]=2 983 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|0,0,0]=2 984 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,1,0,0|1,1,0]=4 985 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,1,0,1,0,0|2,0,0]=4 986 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,1,0,1,0,0|1,0,0]=3 987 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,1,0,1,0,0|1,1,0]=4 988 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|0,0,0]=2 989 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,1,0,1,0,0|2,0,0]=4 990 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,1,0,1,0,0|1,0,0]=3 991 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,1,0,1,0,0|1,1,0]=4 992 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,1,0,1,0,0|2,0,0]=4 993 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [0,1,0,1,0,0|2,0,0]=4 994 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,1,0,1,0,0|1,0,0]=3 995 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,1,0,1,0,0|2,0,0]=4 996 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,1,0,1,0,0|1,1,0]=4 997 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,1,0,1,0,0|2,0,0]=4 998 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,1,0,1,0,0|2,0,0]=4 999 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,1,0,1,0,0|2,0,0]=4 1000 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,1,0,1,0,0|1,0,0]=3 1001 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|1,0,1]=4 1002 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|0,0,0]=2 1003 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|1,0,1]=4 1004 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|0,0,2]=4 1005 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|0,0,2]=4 1006 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|0,0,2]=4 1007 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|0,0,2]=4 1008 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|0,0,2]=4 1009 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,1,0,1,0,0|2,0,0]=4 1010 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,1,0,0|0,0,0]=2 1011 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,1,0,0|1,0,1]=4 1012 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,1,0,1,0,0|1,0,1]=4 1013 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,1,0,0|0,0,1]=3 1014 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|1,0,0]=3 1015 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,1,0,0|1,0,0]=3 1016 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|2,0,0]=4 1017 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|1,0,1]=4 1018 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,1,0,0|2,0,0]=4 1019 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,1,0,0|1,0,1]=4 1020 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,1,0,1,0,0|2,0,0]=4 1021 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,1,0,0|1,1,0]=4 1022 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|0,0,2]=4 1023 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|0,0,2]=4 1024 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,1,0,1,0,0|1,0,0]=3 1025 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|2,0,0]=4 1026 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,1,0,0|2,0,0]=4 1027 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,1,0,1,0,0|2,0,0]=4 1028 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,1,0,1,0,0|1,0,1]=4 1029 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,1,0,1,0,0|1,0,1]=4 1030 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,1,0,1,0,0|0,0,1]=3 1031 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,1,0,1,0,0|1,0,1]=4 1032 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,1,0,0|1,0,0]=3 1033 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,1,0,0|1,0,0]=3 1034 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,1,0,1,0,0|1,0,1]=4 1035 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,1,0,1,0,0|1,0,1]=4 1036 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,1,0,1,0,0|1,0,1]=4 1037 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,1,0,0|1,0,0]=3 1038 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,1,0,0|1,0,0]=3 1039 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,1,0,1,0,0|1,0,1]=4 1040 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|0,0,2]=4 1041 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,1]=4 1042 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,1,0,1,0,0|2,0,0]=4 1043 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,1,0,1,0,0|1,0,1]=4 1044 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,1,0,1,0,0|1,0,1]=4 1045 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,1,0,1,0,0|1,0,1]=4 1046 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [0,1,0,1,0,0|1,0,1]=4 1047 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,1,0,0|1,0,1]=4 1048 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,1,0,1,0,0|1,0,0]=3 1049 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|1,0,1]=4 1050 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,1,0,0|1,0,1]=4 1051 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,1,0,0|1,0,1]=4 1052 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|0,0,1]=3 1053 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,1,0,1,0,0|1,0,1]=4 1054 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|1,0,1]=4 1055 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,1,0,0|1,0,1]=4 1056 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|1,0,0]=3 1057 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|0,0,0]=2 1058 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|2,0,0]=4 1059 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,1,0,0|1,0,0]=3 1060 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|0,0,2]=4 1061 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|0,0,2]=4 1062 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|0,0,2]=4 1063 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|0,0,2]=4 1064 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,1,0,0|0,0,1]=3 1065 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|0,0,1]=3 1066 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|1,0,1]=4 1067 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,1]=4 1068 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|0,0,0]=2 1069 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,1,0,1,0,0|0,0,2]=4 1070 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|0,0,2]=4 1071 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,1,0,1,0,0|1,0,0]=3 1072 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,1,0,1,0,0|0,0,2]=4 1073 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,1,0,1,0,0|1,0,1]=4 1074 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,1,0,1,0,0|1,0,1]=4 1075 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,1,0,1,0,0|1,0,0]=3 1076 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,1,0,1,0,0|0,0,1]=3 1077 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|0,0,2]=4 1078 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|0,0,2]=4 1079 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,1,0,1,0,0|0,0,2]=4 1080 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [0,1,0,1,0,0|1,0,1]=4 1081 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,2,0,0|1,0,1]=4