0 B4R0.1 C#CC(=C)C CNP0599820.0 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C#CC(=O)N CNP0485881.0 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#CC(=O)O CNP0579203.0 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 C=C(Br)CO CNP0506207.0 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C=C(C)C#N CNP0560504.0 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C=C(C)C=O CNP0479149.0 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C=C(C)CC CNP0605035.0 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C=C(C)CO CNP0505353.0 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 C=C(Cl)C#N CNP0518154.0 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C=C(N)C#N CNP0550766.0 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C=C(O)C=O CNP0542377.0 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C=CC(=C)C CNP0489519.0 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=CC(=N)N CNP0498731.0 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C=CC(=O)C CNP0571315.0 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C=CC(=O)Cl CNP0569586.0 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 C=CC(=O)N CNP0574606.0 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C=CC(=O)O CNP0590547.0 [0,0,0,0,0,0|1,0,1]=2 17 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 CC(=NO)C CNP0591673.0 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 CC(=O)C#N CNP0551952.0 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.1 CC(=O)C=O CNP0574322.0 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 CC(=O)CBr CNP0602861.0 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(=O)CI CNP0515381.0 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CC(=O)CN CNP0602829.0 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 CC(=O)CO CNP0487266.0 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 CC(=O)CS CNP0514893.0 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 CC(=O)N=N CNP0591627.0 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 CC(=O)NN CNP0503904.0 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 CC(=O)NO CNP0518042.0 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 CC(=O)OO CNP0491052.0 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 CC(C)CN CNP0490050.0 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.1 CC(C)CO CNP0493868.0 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.1 CC(C)CS CNP0494383.0 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 CC(N)CN CNP0579261.0 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.1 CC(S)CS CNP0488983.0 [0,0,0,0,0,0|2,1,1]=4 38 B4R0.1 CC=C(C)C CNP0502707.0 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 CCC(=N)S CNP0544659.0 [0,0,0,0,0,0|2,1,0]=3 40 B4R0.1 CCC(=O)Br CNP0583620.0 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.1 CCC(=O)C CNP0486447.0 [0,0,0,0,0,0|2,0,0]=2 42 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 CCC(=O)I CNP0549008.0 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.1 CCC(=O)N CNP0512752.0 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 CCC(=O)O CNP0572679.0 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,0,0,0,0,0|1,0,1]=2 47 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,0,0,0,0,0|1,0,1]=2 48 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,0,0,0,0,0|1,0,1]=2 49 B4R0.1 CCC(C)C CNP0492867.0 [0,0,0,0,0,0|3,0,1]=4 50 B4R0.1 CCC(C)N CNP0520467.0 [0,0,0,0,0,0|3,0,1]=4 51 B4R0.1 CCC(O)O CNP0533578.0 [0,0,0,0,0,0|1,0,2]=3 52 B4R0.1 CCC(O)S CNP0612126.0 [0,0,0,0,0,0|1,1,1]=3 53 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,0,0,0,0,0|2,1,1]=4 55 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,0,0,0,0,0|2,0,1]=3 56 B4R0.1 CN(O)C=S CNP0483835.0 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.1 CN=C(N)N CNP0588415.0 [0,0,0,0,0,0|4,0,0]=4 58 B4R0.1 CNC(=N)N CNP0590894.0 [0,0,0,0,0,0|4,0,0]=4 59 B4R0.1 CNC(=O)C CNP0491397.0 [0,0,0,0,0,0|3,0,0]=3 60 B4R0.1 CNC(=O)N CNP0576116.0 [0,0,0,0,0,0|3,0,0]=3 61 B4R0.1 CNC(=O)O CNP0594440.0 [0,0,0,0,0,0|2,0,0]=2 62 B4R0.1 CNC(=S)N CNP0572685.0 [0,0,0,0,0,0|3,1,0]=4 63 B4R0.1 CNC(=S)S CNP0524147.0 [0,0,0,0,0,0|2,2,0]=4 64 B4R0.1 COC(=O)C CNP0578880.0 [0,0,0,0,0,0|3,0,0]=3 65 B4R0.1 COC(=O)N CNP0575874.0 [0,0,0,0,0,0|3,0,0]=3 66 B4R0.1 CSC(=N)N CNP0572889.0 [0,0,0,0,0,0|4,0,0]=4 67 B4R0.1 CSC(=O)C CNP0491622.0 [0,0,0,0,0,0|3,0,0]=3 68 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,0,0,0,0,0|3,0,1]=4 69 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,0,0,0,0,0|1,0,3]=4 71 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,0,0,0,0,0|2,0,2]=4 72 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,0,0,0,0,0|2,0,1]=3 73 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,0,0,0,0,0|2,0,2]=4 75 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,0,0,0,0,0|1,0,1]=2 77 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,0,0,0,0,0|2,0,1]=3 78 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [0,0,0,0,0,0|3,0,1]=4 79 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [0,0,0,0,0,0|3,0,1]=4 80 B4R0.1 N#C[S](O)O CNP0503923.0 [0,0,0,0,0,0|1,0,3]=4 81 B4R0.1 N=C(N)NN CNP0538712.0 [0,0,0,0,0,0|3,0,0]=3 82 B4R0.1 N=C(N)NO CNP0496900.0 [0,0,0,0,0,0|4,0,0]=4 83 B4R0.1 N=CC(=O)O CNP0521453.0 [0,0,0,0,0,0|0,0,2]=2 84 B4R0.1 NC(=O)CCl CNP0572781.0 [0,0,0,0,0,0|2,0,0]=2 85 B4R0.1 NC(=O)CI CNP0573172.0 [0,0,0,0,0,0|2,0,0]=2 86 B4R0.1 NC(=O)CO CNP0610142.0 [0,0,0,0,0,0|2,0,0]=2 87 B4R0.1 NC(=O)NO CNP0593192.0 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.1 NCC(=O)N CNP0542212.0 [0,0,0,0,0,0|1,0,0]=1 89 B4R0.1 NCC(=O)O CNP0563879.0 [0,0,0,0,0,0|0,0,0]=0 90 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,0,0,0,0,0|0,0,1]=1 91 B4R0.1 NN=C(N)N CNP0609058.0 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.1 NNC(=S)N CNP0493193.0 [0,0,0,0,0,0|2,1,0]=3 93 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,0,0,0,0,0|2,0,0]=2 94 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,0,0,0,0,0|2,0,0]=2 95 B4R0.1 O=C(Cl)SCl CNP0604698.0 [0,0,0,0,0,0|3,0,0]=3 96 B4R0.1 O=C(O)CBr CNP0605480.0 [0,0,0,0,0,0|1,0,0]=1 97 B4R0.1 O=C(O)CCl CNP0514898.0 [0,0,0,0,0,0|1,0,0]=1 98 B4R0.1 O=C(O)CI CNP0542117.0 [0,0,0,0,0,0|1,0,0]=1 99 B4R0.1 O=C(O)CO CNP0564020.0 [0,0,0,0,0,0|1,0,0]=1 100 B4R0.1 O=C(O)CS CNP0502399.0 [0,0,0,0,0,0|1,0,0]=1 101 B4R0.1 O=CC(=O)O CNP0571230.0 [0,0,0,0,0,0|1,0,1]=2 102 B4R0.1 O=N[N+](=O)[O-] CNP0609066.0 [0,0,0,0,0,0|3,0,1]=4 103 B4R0.1 O=[N+]([O-])O[Ag] CNP0571678.0 [0,0,0,0,0,0|3,0,1]=4 104 B4R0.1 OCC(Cl)Cl CNP0479097.0 [0,0,0,0,0,0|3,0,1]=4 105 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [0,0,0,0,0,0|2,0,1]=3 106 B3R0.1 BrCCBr CNP0591557.0 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.1 BrCCI CNP0495630.0 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.1 C#CC=O CNP0511000.0 [1,0,0,0,0,0|1,0,1]=3 109 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|2,0,1]=4 110 B3R0.1 C#CCO CNP0488604.0 [1,0,0,0,0,0|1,0,2]=4 111 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|3,0,0]=4 112 B3R0.1 C=C=CBr CNP0595246.0 [1,0,0,0,0,0|2,0,1]=4 113 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|2,0,1]=4 114 B3R0.1 C=CC#N CNP0580732.0 [1,0,0,0,0,0|1,0,2]=4 115 B3R0.1 C=CC=C CNP0574781.0 [1,0,0,0,0,0|2,0,1]=4 116 B3R0.1 C=CC=O CNP0603221.0 [1,0,0,0,0,0|1,0,1]=3 117 B3R0.1 C=CC=S CNP0501678.0 [1,0,0,0,0,0|1,1,1]=4 118 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|2,0,0]=3 119 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|1,0,0]=2 120 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|2,0,0]=3 121 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|2,0,0]=3 122 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|3,0,0]=4 123 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|2,0,1]=4 124 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|1,1,1]=4 126 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|2,0,1]=4 127 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|2,0,1]=4 128 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|2,0,1]=4 129 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|1,0,0]=2 130 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|1,1,0]=3 131 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|2,0,1]=4 132 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|2,0,1]=4 133 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|2,0,1]=4 134 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|1,0,1]=3 136 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|1,1,1]=4 137 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|2,0,0]=3 138 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|3,0,0]=4 139 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|3,0,0]=4 140 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|2,0,0]=3 141 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|3,0,0]=4 142 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|2,0,0]=3 143 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|2,0,1]=4 144 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|2,0,0]=3 145 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|2,0,0]=3 146 B3R0.1 ClC=CCl CNP0610334.0 [1,0,0,0,0,0|2,0,1]=4 147 B3R0.1 ClCCBr CNP0493040.0 [1,0,0,0,0,0|2,0,1]=4 148 B3R0.1 ClCCCl CNP0592018.0 [1,0,0,0,0,0|2,0,1]=4 149 B3R0.1 N#CCI CNP0547629.0 [1,0,0,0,0,0|2,0,1]=4 150 B3R0.1 N#CCS CNP0566385.0 [1,0,0,0,0,0|2,0,1]=4 151 B3R0.1 N#CSO CNP0569271.0 [1,0,0,0,0,0|1,0,2]=4 152 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|1,0,0]=2 153 B3R0.1 NC=CS CNP0577276.0 [1,0,0,0,0,0|0,1,1]=3 154 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|0,0,0]=1 155 B3R0.1 NCCN CNP0531974.0 [1,0,0,0,0,0|1,0,1]=3 156 B3R0.1 NCCO CNP0581653.0 [1,0,0,0,0,0|0,0,1]=2 157 B3R0.1 NCCS CNP0490978.0 [1,0,0,0,0,0|0,1,1]=3 158 B3R0.1 NCC[O] CNP0586934.0 [1,0,0,0,0,0|0,0,2]=3 159 B3R0.1 NNC=O CNP0501881.0 [1,0,0,0,0,0|1,0,0]=2 160 B3R0.1 O=BOO CNP0541096.0 [1,0,0,0,0,0|3,0,0]=4 161 B3R0.1 O=CC=O CNP0605189.0 [1,0,0,0,0,0|1,0,1]=3 162 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|1,0,0]=2 163 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|1,0,0]=2 164 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|1,0,0]=2 165 B3R0.1 O=NOO CNP0508221.0 [1,0,0,0,0,0|3,0,0]=4 166 B3R0.1 OC=CO CNP0508859.0 [1,0,0,0,0,0|1,0,1]=3 167 B3R0.1 OCCCl CNP0532317.0 [1,0,0,0,0,0|1,0,1]=3 168 B3R0.1 OCCI CNP0489668.0 [1,0,0,0,0,0|1,0,1]=3 169 B3R0.1 OCCO CNP0484938.0 [1,0,0,0,0,0|1,0,1]=3 170 B3R0.1 OCCS CNP0576505.0 [1,0,0,0,0,0|1,0,1]=3 171 B3R0.1 SCCS CNP0506336.0 [1,0,0,0,0,0|1,1,1]=4 172 B3R0.2 C=C(C)C CNP0512482.0 [1,0,0,0,0,0|2,0,0]=3 173 B3R0.2 C=C(C)O CNP0514997.0 [1,0,0,0,0,0|1,0,0]=2 174 B3R0.2 C=C(Cl)Cl CNP0573882.0 [1,0,0,0,0,0|2,0,1]=4 175 B3R0.2 CC(=N)S CNP0537692.0 [1,0,0,0,0,0|1,1,0]=3 176 B3R0.2 CC(=O)C CNP0572494.0 [1,0,0,0,0,0|1,0,0]=2 177 B3R0.2 CC(=O)Cl CNP0537278.0 [1,0,0,0,0,0|1,0,0]=2 178 B3R0.2 CC(=O)N CNP0570171.0 [1,0,0,0,0,0|1,0,0]=2 179 B3R0.2 CC(=O)O CNP0495539.0 [1,0,0,0,0,0|0,0,0]=1 180 B3R0.2 CC(=O)[O-] CNP0505268.0 [1,0,0,0,0,0|0,0,1]=2 181 B3R0.2 CC(=S)N CNP0579768.0 [1,0,0,0,0,0|1,1,0]=3 182 B3R0.2 CC(C)C CNP0580677.0 [1,0,0,0,0,0|2,0,1]=4 183 B3R0.2 CC(C)I CNP0515098.0 [1,0,0,0,0,0|2,0,1]=4 184 B3R0.2 CC(C)N CNP0574231.0 [1,0,0,0,0,0|2,0,1]=4 185 B3R0.2 CC(C)O CNP0603430.0 [1,0,0,0,0,0|1,0,1]=3 186 B3R0.2 CC(C)S CNP0483016.0 [1,0,0,0,0,0|1,1,1]=4 187 B3R0.2 CN(C)C CNP0522907.0 [1,0,0,0,0,0|3,0,0]=4 188 B3R0.2 CN(C)N CNP0573264.0 [1,0,0,0,0,0|3,0,0]=4 189 B3R0.2 CP(=O)O CNP0480086.0 [1,0,0,0,0,0|1,0,0]=2 190 B3R0.2 CP(C)C CNP0586622.0 [1,0,0,0,0,0|3,0,0]=4 191 B3R0.2 CS(=S)O CNP0609306.0 [1,0,0,0,0,0|1,1,0]=3 192 B3R0.2 C[As](C)C CNP0539997.0 [1,0,0,0,0,0|3,0,0]=4 193 B3R0.2 C[As](C)O CNP0541907.0 [1,0,0,0,0,0|2,0,0]=3 194 B3R0.2 C[As](O)O CNP0579708.0 [1,0,0,0,0,0|1,0,1]=3 195 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [1,0,0,0,0,0|2,0,1]=4 196 B3R0.2 C[S+](C)C CNP0555694.0 [1,0,0,0,0,0|3,0,0]=4 197 B3R0.2 C[S+](C)[O-] CNP0499675.0 [1,0,0,0,0,0|2,0,1]=4 198 B3R0.2 C[Se+](C)C CNP0504179.0 [1,0,0,0,0,0|3,0,0]=4 199 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [1,0,0,0,0,0|2,1,0]=4 200 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [1,0,0,0,0,0|2,1,0]=4 201 B3R0.2 C[Se](=O)O CNP0501647.0 [1,0,0,0,0,0|1,0,0]=2 202 B3R0.2 N=C(N)N CNP0564001.0 [1,0,0,0,0,0|2,0,0]=3 203 B3R0.2 N=C(N)S CNP0589508.0 [1,0,0,0,0,0|1,1,0]=3 204 B3R0.2 N=C(S)S CNP0522891.0 [1,0,0,0,0,0|0,2,1]=4 205 B3R0.2 NC(=O)N CNP0520286.0 [1,0,0,0,0,0|1,0,0]=2 206 B3R0.2 NC(=O)O CNP0575336.0 [1,0,0,0,0,0|0,0,0]=1 207 B3R0.2 NC(=S)N CNP0599742.0 [1,0,0,0,0,0|1,1,0]=3 208 B3R0.2 NC(=S)S CNP0574797.0 [1,0,0,0,0,0|0,2,0]=3 209 B3R0.2 N[14C](=O)N CNP0600423.0 [1,0,0,0,0,0|1,0,0]=2 210 B3R0.2 O=C(O)O CNP0491655.0 [1,0,0,0,0,0|1,0,0]=2 211 B3R0.2 O=C(O)P CNP0562466.0 [1,0,0,0,0,0|0,1,0]=2 212 B3R0.2 O=P(O)O CNP0517495.0 [1,0,0,0,0,0|2,0,0]=3 213 B3R0.2 O=S(=O)O CNP0578309.0 [1,0,0,0,0,0|2,0,0]=3 214 B3R0.2 O=S(O)O CNP0520227.0 [1,0,0,0,0,0|2,0,0]=3 215 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [1,0,0,0,0,0|2,0,0]=3 216 B3R0.2 O=[Mo](=O)S CNP0576700.0 [1,0,0,0,0,0|2,0,1]=4 217 B3R0.2 O=[N+]([O-])O CNP0534371.0 [1,0,0,0,0,0|2,0,0]=3 218 B3R0.2 O=[Se](O)O CNP0605088.0 [1,0,0,0,0,0|2,0,0]=3 219 B3R0.2 O=[Si](O)O CNP0567325.0 [1,0,0,0,0,0|1,1,0]=3 220 B3R0.2 OB(O)O CNP0568939.0 [1,0,0,0,0,0|2,0,1]=4 221 B3R0.2 OC(O)O CNP0594478.0 [1,0,0,0,0,0|1,0,2]=4 222 B3R0.2 O[As](O)O CNP0559543.0 [1,0,0,0,0,0|2,0,1]=4 223 B3R0.2 O[Sb](O)O CNP0536687.0 [1,0,0,0,0,0|2,0,1]=4 224 B3R0.2 O[Zn-](O)O CNP0493920.0 [1,0,0,0,0,0|2,0,1]=4 225 B3R0.2 [CH2]C(C)C CNP0571096.0 [1,0,0,0,0,0|2,0,1]=4 226 B3R0.2 [O-][Br+2]([O-])O CNP0595435.0 [1,0,0,0,0,0|2,0,1]=4 227 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [1,0,0,0,0,0|2,0,1]=4 228 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,1,0,0,0,0|3,0,0]=4 231 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|3,0,0]=4 232 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|3,0,0]=4 233 B5R0.1 C=C(O)CCC CNP0003382.0 [0,1,0,0,0,0|2,0,0]=3 234 B5R0.1 C=C([CH2-])CC#[O+] CNP0507131.0 [0,1,0,0,0,0|3,0,0]=4 235 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|2,0,0]=3 236 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,1,0,0,0,0|2,0,0]=3 237 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,1,0,0,0,0|1,0,0]=2 238 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.1 C=CCS(=S)O CNP0533091.0 [0,1,0,0,0,0|2,1,0]=4 240 B5R0.1 C=COC(=O)C CNP0003526.0 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.1 CC(=CCO)C CNP0241702.0 [0,1,0,0,0,0|3,0,0]=4 242 B5R0.1 CC(=CCS)C CNP0262600.0 [0,1,0,0,0,0|3,0,0]=4 243 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,1,0,0,0,0|1,0,2]=4 244 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.1 CC(=O)OCS CNP0547679.0 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.1 CC(C)CCN CNP0107663.0 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.1 CC(C)CNO CNP0343206.0 [0,1,0,0,0,0|2,0,1]=4 249 B5R0.1 CC(O)CCS CNP0002409.0 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,1,0,0,0,0|2,0,1]=4 252 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,1,0,0,0,0|2,0,1]=4 253 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,1,0,0,0,0|1,0,1]=3 254 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,1,0,0,0,0|1,1,1]=4 255 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|2,0,0]=3 257 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|2,0,0]=3 258 B5R0.1 CCCC(=O)N CNP0115101.0 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.1 CCCC(=O)O CNP0259447.0 [0,1,0,0,0,0|1,0,0]=2 260 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,1,0,0,0,0|1,0,1]=3 261 B5R0.1 CCCC(O)O CNP0076336.0 [0,1,0,0,0,0|1,0,2]=4 262 B5R0.1 CCCS(=S)O CNP0558357.0 [0,1,0,0,0,0|2,1,0]=4 263 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,1,0,0,0,0|2,0,1]=4 265 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.1 CCNC(=S)N CNP0415621.0 [0,1,0,0,0,0|2,1,0]=4 267 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.1 CCOC(=O)N CNP0336700.0 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.1 CCOC(=O)O CNP0166515.0 [0,1,0,0,0,0|1,0,0]=2 270 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|2,0,0]=3 271 B5R0.1 CCSC(=N)N CNP0528738.0 [0,1,0,0,0,0|3,0,0]=4 272 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|2,0,0]=3 273 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,1,0,0,0,0|3,0,0]=4 274 B5R0.1 CNCC(=O)O CNP0307073.0 [0,1,0,0,0,0|0,0,0]=1 275 B5R0.1 CNCC(=O)O CNP0563704.0 [0,1,0,0,0,0|0,0,0]=1 276 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,1,0,0,0,0|0,0,1]=2 277 B5R0.1 CNCC(C)C CNP0273998.0 [0,1,0,0,0,0|2,0,1]=4 278 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|2,0,0]=3 279 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|1,0,0]=2 280 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|2,0,0]=3 281 B5R0.1 CSCC(=O)O CNP0447839.0 [0,1,0,0,0,0|1,0,0]=2 282 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,1,0,0,0,0|1,0,2]=4 283 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,1,0,0,0,0|2,0,1]=4 285 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,1,0,0,0,0|2,0,1]=4 286 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,1,0,0,0,0|1,0,0]=2 287 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,1,0,0,0,0|1,0,0]=2 288 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,1,0,0,0,0|1,0,1]=3 289 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,1,0,0,0,0|0,0,1]=2 290 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,1,0,0,0,0|2,0,1]=4 291 B5R0.1 NCCC(=O)O CNP0226336.0 [0,1,0,0,0,0|0,0,0]=1 292 B5R0.1 NCCP(=O)O CNP0498602.0 [0,1,0,0,0,0|1,0,0]=2 293 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,1,0,0,0,0|1,0,0]=2 294 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,1,0,0,0,0|1,0,0]=2 295 B5R0.1 NCNC(=O)N CNP0046326.0 [0,1,0,0,0,0|1,0,0]=2 296 B5R0.1 NOCC(=O)O CNP0293826.0 [0,1,0,0,0,0|0,0,0]=1 297 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,1,0,0,0,0|1,0,1]=3 298 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,1,0,0,0,0|1,0,1]=3 299 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,1,0,0,0,0|0,0,2]=3 301 B5R0.1 O=C(O)CCO CNP0228379.0 [0,1,0,0,0,0|1,0,0]=2 302 B5R0.1 O=C(O)CCS CNP0097385.0 [0,1,0,0,0,0|1,0,0]=2 303 B5R0.1 O=C(O)CNO CNP0316873.0 [0,1,0,0,0,0|0,0,0]=1 304 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,1,0,0,0,0|1,0,0]=2 305 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,1,0,0,0,0|2,0,1]=4 306 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,1,0,0,0,0|0,0,1]=2 307 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,1,0,0,0,0|1,0,1]=3 308 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,1,0,0,0,0|3,0,0]=4 309 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,1,0,0,0,0|2,0,0]=3 310 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,1,0,0,0,0|2,0,0]=3 311 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,1,0,0,0,0|1,0,1]=3 312 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|2,0,1]=4 313 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|2,0,1]=4 314 B5R0.3 CC(=NO)CO CNP0284253.0 [0,1,0,0,0,0|2,0,0]=3 315 B5R0.3 CC(CO)CO CNP0282467.0 [0,1,0,0,0,0|2,0,1]=4 316 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,1,0,0,0,0|2,0,1]=4 317 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|3,0,0]=4 318 B5R0.3 CC=C(C)CO CNP0120418.0 [0,1,0,0,0,0|2,0,1]=4 319 B5R0.3 CCC(=CS)C CNP0025997.0 [0,1,0,0,0,0|2,1,0]=4 320 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,1,0,0,0,0|1,0,1]=3 321 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|2,0,0]=3 322 B5R0.3 CCC(=O)CO CNP0165007.0 [0,1,0,0,0,0|1,0,0]=2 323 B5R0.3 CCC(=O)NN CNP0281170.0 [0,1,0,0,0,0|2,0,0]=3 324 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|1,0,0]=2 325 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|1,1,0]=3 326 B5R0.3 CCC(O)CC CNP0293075.0 [0,1,0,0,0,0|2,0,1]=4 327 B5R0.3 CCC(O)CCl CNP0366953.0 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.3 CCC(O)CO CNP0534149.0 [0,1,0,0,0,0|1,0,2]=4 329 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|2,0,1]=4 330 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,1,0,0,0,0|2,0,1]=4 331 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|2,0,1]=4 332 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,1,0,0,0,0|2,0,1]=4 333 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,1,0,0,0,0|2,0,1]=4 334 B5R0.3 CN(C=O)CO CNP0412364.0 [0,1,0,0,0,0|3,0,0]=4 335 B5R0.3 CNC(=O)NC CNP0028412.0 [0,1,0,0,0,0|3,0,0]=4 336 B5R0.3 CNC(=O)OC CNP0483114.0 [0,1,0,0,0,0|2,0,0]=3 337 B5R0.3 COC(=O)CI CNP0017842.0 [0,1,0,0,0,0|1,0,0]=2 338 B5R0.3 COC(=O)NN CNP0033099.0 [0,1,0,0,0,0|1,0,0]=2 339 B5R0.3 COC(C)CO CNP0485411.0 [0,1,0,0,0,0|2,0,1]=4 340 B5R0.3 N#CC(=O)C#N CNP0604126.0 [0,1,0,0,0,0|1,0,2]=4 341 B5R0.3 NC(CO)CO CNP0535001.0 [0,1,0,0,0,0|2,0,1]=4 342 B5R0.3 NCC(=O)NO CNP0470573.0 [0,1,0,0,0,0|0,0,0]=1 343 B5R0.3 NNC(=S)NN CNP0056933.0 [0,1,0,0,0,0|2,1,0]=4 344 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,1,0,0,0,0|2,0,0]=3 345 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,1,0,0,0,0|2,0,0]=3 346 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,1,0,0,0,0|2,0,0]=3 347 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,1,0,0,0,0|2,0,0]=3 348 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,1,0,0,0,0|2,0,0]=3 349 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,1,0,0,0,0|1,0,0]=2 350 B5R0.3 O=C(CO)CO CNP0303926.0 [0,1,0,0,0,0|1,0,0]=2 351 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,1,0,0,0,0|1,0,1]=3 352 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,1,0,0,0,0|1,0,2]=4 353 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,1,0,0,0,0|1,0,1]=3 354 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,1,0,0,0,0|2,0,1]=4 355 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,1,0,0,0,0|2,0,1]=4 356 B5R0.3 OC(CI)CI CNP0161531.0 [0,1,0,0,0,0|2,0,1]=4 357 B5R0.3 OC(CP)CP CNP0345632.0 [0,1,0,0,0,0|1,1,1]=4 358 B5R0.3 OCC(O)CCl CNP0334066.0 [0,1,0,0,0,0|1,0,2]=4 359 B5R0.3 OCC(O)CO CNP0259986.0 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,1,0,0,0,0|1,0,2]=4 361 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,1,0,0,0,0|1,1,1]=4 362 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,1,0,0,0,0|1,0,2]=4 363 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,1,0,0,0,0|1,1,1]=4 364 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,1,0,0,0,0|2,0,1]=4 365 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,1,0,0,0,0|1,0,1]=3 366 B5R0.4 C=CS(=O)(=O)O CNP0571857.0 [0,1,0,0,0,0|2,0,1]=4 367 B5R0.4 CC(C)(O)CN CNP0332905.0 [0,1,0,0,0,0|1,0,1]=3 368 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,1,0,0,0,0|2,0,1]=4 369 B5R0.4 CCC(C)(C)O CNP0239239.0 [0,1,0,0,0,0|2,0,1]=4 370 B5R0.4 CCP(=O)(O)O CNP0534713.0 [0,1,0,0,0,0|2,0,0]=3 371 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [0,1,0,0,0,0|2,0,0]=3 372 B5R0.4 COP(=O)(O)O CNP0100207.0 [0,1,0,0,0,0|3,0,0]=4 373 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,1,0,0,0,0|3,0,0]=4 374 B5R0.4 O=P(O)(O)CO CNP0297464.0 [0,1,0,0,0,0|2,0,0]=3 375 B5R0.4 O=P(O)(O)CS CNP0479695.0 [0,1,0,0,0,0|2,0,0]=3 376 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [0,1,0,0,0,0|2,0,0]=3 377 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,1,0,0,0,0|2,0,1]=4 378 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,1,0,0,0,0|2,0,1]=4 379 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,1,0,0,0,0|2,0,1]=4 380 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,1,0,0,0,0|1,0,1]=3 381 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,1,0,0,0,0|3,0,0]=4 382 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,1,0,0,0,0|3,0,0]=4 383 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,1,0,0,0,0|2,0,1]=4 384 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,1,0,0,0,0|2,0,1]=4 385 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,1,0,0,0,0|1,0,1]=3 386 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,1,0,0,0,0|1,0,1]=3 387 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,1,0,0,0,0|0,0,1]=2 388 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,1,0,0,0,0|1,0,1]=3 389 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,1,0,0,0,0|2,0,0]=3 390 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,1,0,0,0,0|2,0,1]=4 391 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,1,0,0,0,0|0,0,2]=3 392 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,1,0,0,0,0|2,0,1]=4 393 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,1,0,0,0,0|1,0,1]=3 394 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,1,0,0,0,0|1,0,1]=3 395 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,1,0,0,0,0|2,0,0]=3 396 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,1,0,0,0,0|2,0,0]=3 397 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,1,0,0,0,0|2,0,0]=3 398 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,1,0,0,0,0|2,0,0]=3 399 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,1,0,0,0,0|3,0,0]=4 400 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,1,0,0,0,0|2,0,0]=3 401 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,1,0,0,0,0|2,0,0]=3 402 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,1,0,0,0,0|2,0,0]=3 403 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,1,0,0,0,0|2,0,0]=3 404 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,1,0,0,0,0|1,0,0]=2 405 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,1,0,0,0,0|2,0,1]=4 406 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,1,0,0,0,0|2,0,1]=4 407 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,1,0,0,0,0|2,0,1]=4 408 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,1,0,0,0,0|2,0,1]=4 409 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,1,0,0,0,0|1,0,1]=3 410 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,1,0,0,0,0|1,0,1]=3 411 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,1,0,0,0,0|1,0,1]=3 412 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,1,0,0,0,0|1,0,1]=3 413 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,1,0,0,0,0|1,0,1]=3 414 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,1,0,0,0,0|2,0,1]=4 415 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,1,0,0,0,0|0,0,0]=1 416 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,1,0,0,0,0|1,0,0]=2 417 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,1,0,0,0,0|2,0,1]=4 418 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,1,0,0,0,0|0,0,0]=1 419 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,1,0,0,0,0|1,0,0]=2 420 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [0,1,0,0,0,0|2,0,1]=4 421 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,1,0,0,0,0|2,0,1]=4 422 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,1,0,0,0,0|2,0,1]=4 423 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,1,0,0,0,0|1,0,0]=2 424 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,1,0,0,0,0|1,0,1]=3 425 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,1,0,0,0,0|0,0,1]=2 426 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,1,0,0,0,0|2,0,0]=3 427 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,1,0,0,0,0|2,0,0]=3 428 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,1,0,0,0,0|2,0,0]=3 429 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,1,0,0,0,0|2,0,0]=3 430 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,1,0,0,0,0|0,0,0]=1 431 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,1,0,0,0,0|2,0,1]=4 432 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,1,0,0,0,0|1,0,1]=3 433 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,1,0,0,0,0|1,0,0]=2 434 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,1,0,0,0,0|1,0,0]=2 435 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,1,0,0,0,0|1,0,0]=2 436 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,1,0,0,0,0|1,0,0]=2 437 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,1,0,0,0,0|1,0,0]=2 438 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,1,0,0,0,0|1,0,0]=2 439 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,1,0,0,0,0|1,0,0]=2 440 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,1,0,0,0,0|1,0,0]=2 441 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [0,1,0,0,0,0|3,0,0]=4 442 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,1,0,0,0,0|1,0,1]=3 443 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,1,0,0|1,0,0]=2 444 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,1,0,0|2,0,1]=4 445 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,0,0,1,0,0|2,0,1]=4 446 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,0,0,1,0,0|2,0,1]=4 447 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,1,0,0|2,0,1]=4 448 B5R1.4 CC1OC1C CNP0609093.0 [0,0,0,1,0,0|2,0,1]=4 449 B2R0.1 BrCBr CNP0494232.0 [2,0,0,0,0,0|2,0,0]=4 450 B2R0.1 BrCI CNP0594254.0 [2,0,0,0,0,0|2,0,0]=4 451 B2R0.1 C=CBr CNP0609063.0 [2,0,0,0,0,0|1,0,1]=4 452 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|1,0,0]=3 453 B2R0.1 C=CO CNP0606787.0 [2,0,0,0,0,0|0,0,1]=3 454 B2R0.1 C=C[O] CNP0584213.0 [2,0,0,0,0,0|0,0,2]=4 455 B2R0.1 C=NO CNP0573273.0 [2,0,0,0,0,0|1,0,1]=4 456 B2R0.1 C=[N+]=[N-] CNP0484380.0 [2,0,0,0,0,0|1,0,1]=4 457 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|1,0,1]=4 458 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|0,0,0]=2 459 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,1]=4 460 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|1,0,1]=4 461 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,1]=4 462 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,1]=4 463 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|0,0,1]=3 464 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|0,0,1]=3 465 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|0,1,1]=4 466 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|2,0,0]=4 467 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|2,0,0]=4 468 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|1,0,1]=4 469 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|2,0,0]=4 470 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|1,0,1]=4 471 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|2,0,0]=4 472 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|2,0,0]=4 473 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|1,1,0]=4 474 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|0,0,1]=3 475 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|0,0,1]=3 476 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|2,0,0]=4 477 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|2,0,0]=4 478 B2R0.1 ClCBr CNP0528283.0 [2,0,0,0,0,0|2,0,0]=4 479 B2R0.1 ClCCl CNP0529345.0 [2,0,0,0,0,0|2,0,0]=4 480 B2R0.1 ClCI CNP0600514.0 [2,0,0,0,0,0|2,0,0]=4 481 B2R0.1 ICI CNP0526769.0 [2,0,0,0,0,0|2,0,0]=4 482 B2R0.1 N#CN CNP0538292.0 [2,0,0,0,0,0|1,0,1]=4 483 B2R0.1 N#CO CNP0521200.0 [2,0,0,0,0,0|0,0,2]=4 484 B2R0.1 N=C=O CNP0504564.0 [2,0,0,0,0,0|0,0,2]=4 485 B2R0.1 NC=O CNP0569834.0 [2,0,0,0,0,0|0,0,0]=2 486 B2R0.1 NN=O CNP0610110.0 [2,0,0,0,0,0|1,0,0]=3 487 B2R0.1 O=BO CNP0512281.0 [2,0,0,0,0,0|1,0,0]=3 488 B2R0.1 O=C=O CNP0566212.0 [2,0,0,0,0,0|0,0,2]=4 489 B2R0.1 O=C=S CNP0558182.0 [2,0,0,0,0,0|0,1,1]=4 490 B2R0.1 O=CO CNP0494819.0 [2,0,0,0,0,0|0,0,0]=2 491 B2R0.1 O=NCl CNP0485266.0 [2,0,0,0,0,0|2,0,0]=4 492 B2R0.1 O=NO CNP0506888.0 [2,0,0,0,0,0|1,0,0]=3 493 B2R0.1 O=PO CNP0574430.0 [2,0,0,0,0,0|1,0,0]=3 494 B2R0.1 O=S=O CNP0483725.0 [2,0,0,0,0,0|1,0,1]=4 495 B2R0.1 O=[Mn]=O CNP0493383.0 [2,0,0,0,0,0|1,0,1]=4 496 B2R0.1 O=[Mn]=O CNP0609067.0 [2,0,0,0,0,0|1,0,1]=4 497 B2R0.1 O=[O+][O-] CNP0518683.0 [2,0,0,0,0,0|1,0,1]=4 498 B2R0.1 O=[Se]=O CNP0593099.0 [2,0,0,0,0,0|1,0,1]=4 499 B2R0.1 O=[Si]=O CNP0514392.0 [2,0,0,0,0,0|0,1,1]=4 500 B2R0.1 O=[Te]=O CNP0564386.0 [2,0,0,0,0,0|1,0,1]=4 501 B2R0.1 O=[Ti]=O CNP0587503.0 [2,0,0,0,0,0|1,0,1]=4 502 B2R0.1 OCO CNP0551435.0 [2,0,0,0,0,0|1,0,0]=3 503 B2R0.1 OOO CNP0557106.0 [2,0,0,0,0,0|1,0,1]=4 504 B2R0.1 OPO CNP0602064.0 [2,0,0,0,0,0|1,0,1]=4 505 B2R0.1 SCS CNP0488241.0 [2,0,0,0,0,0|1,1,0]=4 506 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|2,0,0]=4 507 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|1,0,0]=3 508 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|1,0,1]=4 509 B2R0.1 [O-][Cl+]O CNP0497237.0 [2,0,0,0,0,0|1,0,1]=4 510 B4R0.2 C#CCC=O CNP0596193.0 [1,1,0,0,0,0|1,0,0]=3 511 B4R0.2 C#CCCO CNP0577358.0 [1,1,0,0,0,0|1,0,1]=4 512 B4R0.2 C=C=CCC CNP0484675.0 [1,1,0,0,0,0|2,0,0]=4 513 B4R0.2 C=CC=NO CNP0532391.0 [1,1,0,0,0,0|1,0,1]=4 514 B4R0.2 C=CCC#N CNP0498043.0 [1,1,0,0,0,0|1,0,1]=4 515 B4R0.2 C=CCC=C CNP0494589.0 [1,1,0,0,0,0|2,0,0]=4 516 B4R0.2 C=CCCC CNP0529271.0 [1,1,0,0,0,0|2,0,0]=4 517 B4R0.2 C=CCCN CNP0493733.0 [1,1,0,0,0,0|1,0,0]=3 518 B4R0.2 C=CCCO CNP0599473.0 [1,1,0,0,0,0|1,0,1]=4 519 B4R0.2 C=CCSC CNP0572475.0 [1,1,0,0,0,0|2,0,0]=4 520 B4R0.2 C=CCSO CNP0600527.0 [1,1,0,0,0,0|2,0,0]=4 521 B4R0.2 C=CC[Se]C CNP0612039.0 [1,1,0,0,0,0|2,0,0]=4 522 B4R0.2 C=COCC CNP0567970.0 [1,1,0,0,0,0|2,0,0]=4 523 B4R0.2 C=CSCC CNP0581257.0 [1,1,0,0,0,0|2,0,0]=4 524 B4R0.2 CC=CC=O CNP0576575.0 [1,1,0,0,0,0|1,0,1]=4 525 B4R0.2 CC=CCC CNP0524560.0 [1,1,0,0,0,0|2,0,0]=4 526 B4R0.2 CC=CCO CNP0498228.0 [1,1,0,0,0,0|1,0,1]=4 527 B4R0.2 CC=CCS CNP0606069.0 [1,1,0,0,0,0|2,0,0]=4 528 B4R0.2 CC=CSO CNP0521494.0 [1,1,0,0,0,0|1,0,1]=4 529 B4R0.2 CCC#CO CNP0612045.0 [1,1,0,0,0,0|1,0,1]=4 530 B4R0.2 CCC=NO CNP0599998.0 [1,1,0,0,0,0|1,0,0]=3 531 B4R0.2 CCC=S=O CNP0514855.0 [1,1,0,0,0,0|1,0,0]=3 532 B4R0.2 CCCC=O CNP0518034.0 [1,1,0,0,0,0|1,0,0]=3 533 B4R0.2 CCCCN CNP0597509.0 [1,1,0,0,0,0|1,0,1]=4 534 B4R0.2 CCCCO CNP0505612.0 [1,1,0,0,0,0|1,0,1]=4 535 B4R0.2 CCCNC CNP0599313.0 [1,1,0,0,0,0|1,0,1]=4 536 B4R0.2 CCCOC CNP0609062.0 [1,1,0,0,0,0|1,0,1]=4 537 B4R0.2 CCCSO CNP0594110.0 [1,1,0,0,0,0|1,0,1]=4 538 B4R0.2 CCOC=O CNP0525155.0 [1,1,0,0,0,0|1,0,0]=3 539 B4R0.2 CCON=O CNP0596964.0 [1,1,0,0,0,0|2,0,0]=4 540 B4R0.2 CNCCN CNP0496542.0 [1,1,0,0,0,0|1,0,1]=4 541 B4R0.2 CNCCO CNP0513801.0 [1,1,0,0,0,0|0,0,1]=3 542 B4R0.2 COCCI CNP0495552.0 [1,1,0,0,0,0|1,0,1]=4 543 B4R0.2 COCCO CNP0561250.0 [1,1,0,0,0,0|1,0,1]=4 544 B4R0.2 COCC[Si] CNP0501162.0 [1,1,0,0,0,0|1,0,1]=4 545 B4R0.2 CSCC=O CNP0555203.0 [1,1,0,0,0,0|1,0,0]=3 546 B4R0.2 CSCCO CNP0574269.0 [1,1,0,0,0,0|1,0,1]=4 547 B4R0.2 ClC=CCCl CNP0530301.0 [1,1,0,0,0,0|2,0,0]=4 548 B4R0.2 N#CCCN CNP0502764.0 [1,1,0,0,0,0|1,0,1]=4 549 B4R0.2 NCCC=O CNP0502520.0 [1,1,0,0,0,0|0,0,0]=2 550 B4R0.2 NCCCN CNP0566837.0 [1,1,0,0,0,0|1,0,1]=4 551 B4R0.2 NCCCO CNP0538228.0 [1,1,0,0,0,0|0,0,1]=3 552 B4R0.2 NCCCS CNP0560812.0 [1,1,0,0,0,0|0,1,1]=4 553 B4R0.2 NOCON CNP0531529.0 [1,1,0,0,0,0|1,0,1]=4 554 B4R0.2 O=CC=CCl CNP0542132.0 [1,1,0,0,0,0|1,0,1]=4 555 B4R0.2 O=CCC=O CNP0495847.0 [1,1,0,0,0,0|1,0,0]=3 556 B4R0.2 O=CCCO CNP0525339.0 [1,1,0,0,0,0|1,0,0]=3 557 B4R0.2 OCC=CCl CNP0578872.0 [1,1,0,0,0,0|1,0,1]=4 558 B4R0.2 OCCCBr CNP0506989.0 [1,1,0,0,0,0|1,0,1]=4 559 B4R0.2 OCCCO CNP0503416.0 [1,1,0,0,0,0|1,0,1]=4 560 B4R0.2 OCCCS CNP0586497.0 [1,1,0,0,0,0|1,0,1]=4 561 B4R0.3 CC(C)(C)O CNP0541010.0 [1,1,0,0,0,0|1,0,1]=4 562 B4R0.3 CP(=O)(O)O CNP0605019.0 [1,1,0,0,0,0|1,0,0]=3 563 B4R0.3 CS(=O)(=O)C CNP0605129.0 [1,1,0,0,0,0|1,0,1]=4 564 B4R0.3 CS(=O)(=O)Cl CNP0595350.0 [1,1,0,0,0,0|1,0,1]=4 565 B4R0.3 CS(=O)(=O)O CNP0491438.0 [1,1,0,0,0,0|1,0,0]=3 566 B4R0.3 CS(=O)(=O)S CNP0506131.0 [1,1,0,0,0,0|1,0,1]=4 567 B4R0.3 CS(=S)(C)O CNP0608926.0 [1,1,0,0,0,0|1,1,0]=4 568 B4R0.3 C[As](=O)(C)O CNP0492406.0 [1,1,0,0,0,0|1,0,0]=3 569 B4R0.3 C[As](=O)(O)O CNP0536186.0 [1,1,0,0,0,0|1,0,0]=3 570 B4R0.3 C[N+](C)(C)O CNP0585867.0 [1,1,0,0,0,0|2,0,0]=4 571 B4R0.3 C[Si](C)(C)O CNP0575582.0 [1,1,0,0,0,0|1,1,0]=4 572 B4R0.3 C[Si](C)(O)O CNP0563438.0 [1,1,0,0,0,0|0,1,1]=4 573 B4R0.3 NP(=O)(O)O CNP0610116.0 [1,1,0,0,0,0|1,0,0]=3 574 B4R0.3 NS(=O)(=O)O CNP0504817.0 [1,1,0,0,0,0|1,0,0]=3 575 B4R0.3 O=P(=O)(O)O CNP0483652.0 [1,1,0,0,0,0|2,0,0]=4 576 B4R0.3 O=P(O)(O)O CNP0532830.0 [1,1,0,0,0,0|2,0,0]=4 577 B4R0.3 O=P(O)(O)[SeH] CNP0610069.0 [1,1,0,0,0,0|2,0,0]=4 578 B4R0.3 O=S(=O)(O)O CNP0526659.0 [1,1,0,0,0,0|2,0,0]=4 579 B4R0.3 O=S(=O)(O)S CNP0487364.0 [1,1,0,0,0,0|2,0,0]=4 580 B4R0.3 O=S(=S)(O)O CNP0498551.0 [1,1,0,0,0,0|2,0,0]=4 581 B4R0.3 O=[As](O)(O)O CNP0508765.0 [1,1,0,0,0,0|2,0,0]=4 582 B4R0.3 O=[Mn](=O)(=O)O CNP0564480.0 [1,1,0,0,0,0|2,0,0]=4 583 B4R0.3 O=[Mo](=O)(O)O CNP0592026.0 [1,1,0,0,0,0|2,0,0]=4 584 B4R0.3 O=[Se](=O)(O)O CNP0517052.0 [1,1,0,0,0,0|2,0,0]=4 585 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,2,0,0,0,0|2,0,0]=4 586 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,2,0,0,0,0|2,0,0]=4 587 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,2,0,0,0,0|2,0,0]=4 588 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,2,0,0,0,0|1,0,1]=4 589 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,2,0,0,0,0|2,0,0]=4 590 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,2,0,0,0,0|2,0,0]=4 591 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,2,0,0,0,0|2,0,0]=4 592 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,2,0,0,0,0|2,0,0]=4 593 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,2,0,0,0,0|1,1,0]=4 595 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,2,0,0,0,0|2,0,0]=4 596 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,2,0,0,0,0|2,0,0]=4 597 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,2,0,0,0,0|2,0,0]=4 598 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,2,0,0,0,0|1,0,1]=4 600 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,2,0,0,0,0|2,0,0]=4 601 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,2,0,0,0,0|1,0,0]=3 603 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,2,0,0,0,0|1,1,0]=4 604 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,2,0,0,0,0|2,0,0]=4 605 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,2,0,0,0,0|1,0,0]=3 606 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,2,0,0,0,0|1,0,1]=4 607 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,2,0,0,0,0|2,0,0]=4 610 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,2,0,0,0,0|1,1,0]=4 611 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,2,0,0,0,0|0,0,0]=2 612 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,2,0,0,0,0|1,0,1]=4 613 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,2,0,0,0,0|1,0,1]=4 614 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,2,0,0,0,0|1,0,1]=4 615 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,2,0,0,0,0|0,0,2]=4 616 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,2,0,0,0,0|1,0,0]=3 617 B6R0.1 COC(=O)CSC CNP0189712.0 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.1 COCC(=O)OC CNP0202591.0 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,2,0,0,0,0|1,0,1]=4 621 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,2,0,0,0,0|1,0,1]=4 622 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,2,0,0,0,0|2,0,0]=4 623 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,2,0,0,0,0|0,0,0]=2 624 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,2,0,0,0,0|1,0,0]=3 625 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,2,0,0,0,0|1,0,1]=4 626 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,2,0,0,0,0|1,0,1]=4 627 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,2,0,0,0,0|2,0,0]=4 629 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|2,0,0]=4 632 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|2,0,0]=4 633 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|2,0,0]=4 634 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,2,0,0,0,0|1,0,1]=4 635 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,2,0,0,0,0|1,0,1]=4 636 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,2,0,0,0,0|1,0,1]=4 637 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,2,0,0,0,0|2,0,0]=4 639 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,2,0,0,0,0|2,0,0]=4 640 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,2,0,0,0,0|1,0,1]=4 641 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,2,0,0,0,0|1,0,0]=3 642 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,2,0,0,0,0|0,0,0]=2 644 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,2,0,0,0,0|0,0,0]=2 645 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,2,0,0,0,0|0,0,0]=2 647 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,2,0,0,0,0|1,0,0]=3 649 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,2,0,0,0,0|1,0,1]=4 652 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,2,0,0,0,0|0,0,0]=2 654 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,2,0,0,0,0|0,0,1]=3 655 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,2,0,0,0,0|2,0,0]=4 656 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,2,0,0,0,0|0,0,0]=2 661 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,2,0,0,0,0|1,0,1]=4 662 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,2,0,0,0,0|0,0,0]=2 664 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,2,0,0,0,0|1,0,1]=4 665 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,2,0,0,0,0|0,0,1]=3 666 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,2,0,0,0,0|1,0,1]=4 667 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,2,0,0,0,0|2,0,0]=4 668 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,2,0,0,0,0|0,0,0]=2 669 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,2,0,0,0,0|0,0,0]=2 670 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,2,0,0,0,0|0,0,2]=4 671 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,2,0,0,0,0|1,0,1]=4 672 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,2,0,0,0,0|2,0,0]=4 674 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,2,0,0,0,0|1,0,0]=3 675 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,2,0,0,0,0|1,0,1]=4 676 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,2,0,0,0,0|0,0,1]=3 677 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,2,0,0,0,0|1,0,1]=4 678 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,2,0,0,0,0|2,0,0]=4 680 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,2,0,0,0,0|1,1,0]=4 681 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,2,0,0,0,0|2,0,0]=4 682 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,2,0,0,0,0|1,0,0]=3 684 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|2,0,0]=4 686 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|2,0,0]=4 687 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,2,0,0,0,0|2,0,0]=4 688 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,2,0,0,0,0|2,0,0]=4 689 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,2,0,0,0,0|1,0,0]=3 690 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,2,0,0,0,0|0,0,0]=2 691 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|1,0,1]=4 692 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|2,0,0]=4 694 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,2,0,0,0,0|2,0,0]=4 696 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,2,0,0,0,0|1,0,0]=3 697 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,2,0,0,0,0|0,0,0]=2 698 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,2,0,0,0,0|1,0,0]=3 699 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,2,0,0,0,0|2,0,0]=4 700 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,2,0,0,0,0|0,0,1]=3 701 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,2,0,0,0,0|0,0,0]=2 702 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,2,0,0,0,0|0,0,0]=2 703 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,2,0,0,0,0|1,0,1]=4 704 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,2,0,0,0,0|0,0,0]=2 709 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,2,0,0,0,0|0,0,0]=2 711 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,2,0,0,0,0|0,0,0]=2 712 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,2,0,0,0,0|1,1,0]=4 714 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,2,0,0,0,0|2,0,0]=4 715 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,2,0,0,0,0|2,0,0]=4 716 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,2,0,0,0,0|1,0,0]=3 717 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,2,0,0,0,0|0,0,0]=2 718 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,2,0,0,0,0|1,0,0]=3 719 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,2,0,0,0,0|1,0,1]=4 720 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,2,0,0,0,0|1,0,1]=4 721 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,2,0,0,0,0|0,0,0]=2 722 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,2,0,0,0,0|1,0,0]=3 723 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,2,0,0,0,0|0,0,0]=2 724 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,2,0,0,0,0|1,0,0]=3 725 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,2,0,0,0,0|0,0,0]=2 727 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,2,0,0,0,0|0,0,0]=2 728 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,2,0,0,0,0|0,0,0]=2 729 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,2,0,0,0,0|0,0,0]=2 730 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,2,0,0,0,0|0,0,0]=2 731 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,2,0,0,0,0|0,0,0]=2 732 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,2,0,0,0,0|0,0,0]=2 733 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,2,0,0,0,0|0,0,0]=2 734 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,2,0,0,0,0|0,0,0]=2 735 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,2,0,0,0,0|0,0,0]=2 736 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,2,0,0,0,0|0,0,0]=2 737 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,2,0,0,0,0|0,0,0]=2 738 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,2,0,0,0,0|0,0,0]=2 739 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,2,0,0,0,0|2,0,0]=4 740 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,2,0,0,0,0|2,0,0]=4 741 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,2,0,0,0,0|2,0,0]=4 742 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,2,0,0,0,0|2,0,0]=4 743 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,2,0,0,0,0|2,0,0]=4 744 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,2,0,0,0,0|2,0,0]=4 745 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,2,0,0,0,0|1,0,1]=4 747 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,2,0,0,0,0|1,0,1]=4 748 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,2,0,0,0,0|1,0,1]=4 749 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,2,0,0,0,0|1,0,1]=4 750 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,2,0,0,0,0|1,0,0]=3 752 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,2,0,0,0,0|1,0,0]=3 753 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,2,0,0,0,0|1,0,1]=4 758 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,2,0,0,0,0|1,0,1]=4 759 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,2,0,0,0,0|1,0,0]=3 760 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,2,0,0,0,0|0,0,1]=3 761 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,2,0,0,0,0|0,0,0]=2 762 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,2,0,0,0,0|1,0,1]=4 763 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,2,0,0,0,0|1,0,0]=3 766 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,2,0,0,0,0|1,0,0]=3 771 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,2,0,0,0,0|2,0,0]=4 772 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,2,0,0,0,0|2,0,0]=4 773 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,2,0,0,0,0|1,0,0]=3 775 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,2,0,0,0,0|2,0,0]=4 778 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,2,0,0,0,0|2,0,0]=4 780 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,2,0,0,0,0|2,0,0]=4 781 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,2,0,0,0,0|2,0,0]=4 782 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,2,0,0,0,0|1,0,0]=3 783 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,2,0,0,0,0|1,0,0]=3 784 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,2,0,0,0,0|2,0,0]=4 785 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,2,0,0,0,0|2,0,0]=4 786 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,2,0,0,0,0|2,0,0]=4 787 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,2,0,0,0,0|0,0,0]=2 788 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,2,0,0,0,0|2,0,0]=4 789 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,2,0,0,0,0|0,0,0]=2 791 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,2,0,0,0,0|1,0,1]=4 792 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,2,0,0,0,0|2,0,0]=4 793 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,2,0,0,0,0|2,0,0]=4 794 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,2,0,0,0,0|1,0,0]=3 795 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,2,0,0,0,0|2,0,0]=4 796 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,2,0,0,0,0|0,0,2]=4 797 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,2,0,0,0,0|0,0,0]=2 798 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,2,0,0,0,0|2,0,0]=4 799 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,2,0,0,0,0|0,0,0]=2 800 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,2,0,0,0,0|0,0,0]=2 801 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,2,0,0,0,0|1,0,1]=4 802 B6R0.4 NCCOB(O)O CNP0548675.0 [0,2,0,0,0,0|1,0,1]=4 803 B6R0.4 NCCOP(O)O CNP0382987.0 [0,2,0,0,0,0|1,0,1]=4 804 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,2,0,0,0,0|1,0,0]=3 805 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,2,0,0,0,0|1,0,1]=4 807 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,2,0,0,0,0|1,0,0]=3 808 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,2,0,0,0,0|0,0,0]=2 809 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,2,0,0,0,0|1,0,1]=4 810 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [0,2,0,0,0,0|2,0,0]=4 811 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [0,2,0,0,0,0|2,0,0]=4 812 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,2,0,0,0,0|1,0,0]=3 813 B6R0.5 NCCS(=O)(=O)N CNP0110913.0 [0,2,0,0,0,0|1,0,1]=4 814 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,2,0,0,0,0|1,0,0]=3 815 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,2,0,0,0,0|1,0,0]=3 816 B6R0.5 O=CCP(=O)(O)O CNP0261749.0 [0,2,0,0,0,0|2,0,0]=4 817 B6R0.5 O=CCS(=O)(=O)O CNP0314402.0 [0,2,0,0,0,0|2,0,0]=4 818 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [0,2,0,0,0,0|2,0,0]=4 819 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [0,2,0,0,0,0|2,0,0]=4 820 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [0,2,0,0,0,0|2,0,0]=4 821 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [0,2,0,0,0,0|2,0,0]=4 822 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [0,2,0,0,0,0|2,0,0]=4 823 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,2,0,0,0,0|2,0,0]=4 824 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,2,0,0,0,0|2,0,0]=4 825 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,2,0,0,0,0|2,0,0]=4 826 B6R0.9 OCC(=NO)CO CNP0288617.0 [0,2,0,0,0,0|1,0,1]=4 827 B6R0.7 CC(=O)C(Br)(Br)Br CNP0017934.0 [0,2,0,0,0,0|2,0,0]=4 828 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,2,0,0,0,0|2,0,0]=4 829 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,2,0,0,0,0|2,0,0]=4 830 B6R0.7 CC(=O)C(Cl)(Br)Br CNP0075118.0 [0,2,0,0,0,0|2,0,0]=4 831 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,2,0,0,0,0|2,0,0]=4 832 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,2,0,0,0,0|1,0,0]=3 833 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,2,0,0,0,0|0,0,0]=2 834 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,2,0,0,0,0|1,0,0]=3 835 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [0,2,0,0,0,0|1,0,0]=3 836 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [0,2,0,0,0,0|2,0,0]=4 837 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [0,2,0,0,0,0|1,0,0]=3 838 B6R0.7 NC(=O)C(Br)(Br)Br CNP0186208.0 [0,2,0,0,0,0|2,0,0]=4 839 B6R0.7 NC(=O)C(Cl)(Cl)Cl CNP0023989.0 [0,2,0,0,0,0|2,0,0]=4 840 B6R0.7 O=C(O)C(Br)(Br)Br CNP0082210.0 [0,2,0,0,0,0|1,0,0]=3 841 B6R0.7 O=C(O)C(Cl)(Cl)Cl CNP0083486.0 [0,2,0,0,0,0|1,0,0]=3 842 B6R0.7 O=C(O)P(=O)(O)O CNP0366447.0 [0,2,0,0,0,0|2,0,0]=4 843 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,1,0,0|1,0,1]=4 844 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|2,0,0]=4 845 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|1,0,1]=4 846 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|1,0,1]=4 847 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|1,0,1]=4 848 B4R1.2 OC1OO1 CNP0541068.0 [1,0,0,1,0,0|2,0,0]=4 849 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,1,0,0|2,0,0]=4 850 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,1,0,1,0,0|2,0,0]=4 851 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,1,0,1,0,0|2,0,0]=4 852 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,1,0,1,0,0|1,0,1]=4 853 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,1,0,1,0,0|0,0,1]=3 854 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,1,0,1,0,0|1,0,1]=4 855 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,1,0,1,0,0|1,0,0]=3 856 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,1,0,0|2,0,0]=4 857 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,1,0,0|2,0,0]=4 858 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,1,0,1,0,0|1,0,0]=3 859 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,1,0,0|1,1,0]=4 860 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,1,0,1,0,0|1,0,0]=3 861 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|1,0,0]=3 862 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,1,0,0|1,0,0]=3 863 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,1,0,0|1,1,0]=4 864 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,1,0,1,0,0|1,0,1]=4 865 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,1,0,0|1,0,0]=3 866 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,1,0,1,0,0|1,0,1]=4 867 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,1,0,1,0,0|2,0,0]=4 868 B6R1.2 OC1=NNC=N1 CNP0175966.0 [0,1,0,1,0,0|1,0,1]=4 869 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,1,0,1,0,0|1,0,1]=4 870 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,1,0,1,0,0|0,0,2]=4 871 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,1,0,1,0,0|1,1,0]=4 872 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,1,0,1,0,0|1,1,0]=4 873 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,1,0,0|1,0,0]=3 874 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,1,0,0|1,0,0]=3 875 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,1,0,1,0,0|2,0,0]=4 876 B6R1.8 O=C1CC1CO CNP0073765.0 [0,1,0,1,0,0|2,0,0]=4 877 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,1,0,0|2,0,0]=4 878 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,1,0,1,0,0|1,0,1]=4