0 B4R0.1 C#CC(=C)C CNP0599820.0 [0,0,0,0,0,0|1,0,3]=4 1 B4R0.1 C#CC(C)C CNP0586699.0 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=C(Br)CO CNP0506207.0 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C=C(C)C#N CNP0560504.0 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C=C(C)C=O CNP0479149.0 [0,0,0,0,0,0|0,0,4]=4 5 B4R0.1 C=C(C)CC CNP0605035.0 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 C=C(C)CO CNP0505353.0 [0,0,0,0,0,0|0,0,2]=2 7 B4R0.1 C=CC(=C)C CNP0489519.0 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.1 C=CC(=O)C CNP0571315.0 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C=CC(C)C CNP0589769.0 [0,0,0,0,0,0|1,0,1]=2 10 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(=NO)C CNP0591673.0 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 CC(=O)C#N CNP0551952.0 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 CC(=O)C=O CNP0574322.0 [0,0,0,0,0,0|1,0,3]=4 15 B4R0.1 CC(=O)CBr CNP0602861.0 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 CC(=O)CI CNP0515381.0 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 CC(=O)CN CNP0602829.0 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CC(=O)CO CNP0487266.0 [0,0,0,0,0,0|1,0,1]=2 19 B4R0.1 CC(=O)CS CNP0514893.0 [0,0,0,0,0,0|1,1,1]=3 20 B4R0.1 CC(=O)N=N CNP0591627.0 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 CC(=O)NN CNP0503904.0 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CC(=O)NO CNP0518042.0 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 CC(=O)OO CNP0491052.0 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 CC(C)C=O CNP0511471.0 [0,0,0,0,0,0|0,0,2]=2 26 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,0,0,0,0,0|0,0,2]=2 27 B4R0.1 CC(C)CN CNP0490050.0 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 CC(C)CO CNP0493868.0 [0,0,0,0,0,0|0,0,0]=0 29 B4R0.1 CC(C)CS CNP0494383.0 [0,0,0,0,0,0|0,1,0]=1 30 B4R0.1 CC(N)C#N CNP0567528.0 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 CC(N)C=O CNP0531209.0 [0,0,0,0,0,0|1,0,2]=3 32 B4R0.1 CC(N)CN CNP0579261.0 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 CC(S)CS CNP0488983.0 [0,0,0,0,0,0|1,1,0]=2 34 B4R0.1 CC=C(C)C CNP0502707.0 [0,0,0,0,0,0|1,0,2]=3 35 B4R0.1 CCC(=N)S CNP0544659.0 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 CCC(=O)Br CNP0583620.0 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 CCC(=O)C CNP0486447.0 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 CCC(=O)I CNP0549008.0 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.1 CCC(=O)N CNP0512752.0 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.1 CCC(=O)O CNP0572679.0 [0,0,0,0,0,0|3,0,1]=4 42 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 CCC(C)C CNP0492867.0 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 CCC(C)N CNP0520467.0 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 CCC(O)O CNP0533578.0 [0,0,0,0,0,0|3,0,0]=3 48 B4R0.1 CCC(O)S CNP0612126.0 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,0,0,0,0,0|2,0,0]=2 50 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 CN(C)C=O CNP0566193.0 [0,0,0,0,0,0|1,0,2]=3 53 B4R0.1 CN(C)C=S CNP0516551.0 [0,0,0,0,0,0|1,1,1]=3 54 B4R0.1 CN(C)N=O CNP0503536.0 [0,0,0,0,0,0|2,0,1]=3 55 B4R0.1 CN(N)C=O CNP0593819.0 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.1 CN(O)C=S CNP0483835.0 [0,0,0,0,0,0|2,1,1]=4 57 B4R0.1 CNC(=O)C CNP0491397.0 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.1 CNC(C)C CNP0489071.0 [0,0,0,0,0,0|2,0,0]=2 59 B4R0.1 COC(=O)C CNP0578880.0 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 CSC(=O)C CNP0491622.0 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 CSC(C)C CNP0486491.0 [0,0,0,0,0,0|2,0,0]=2 62 B4R0.1 CSC(C)S CNP0497634.0 [0,0,0,0,0,0|3,0,0]=3 63 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [0,0,0,0,0,0|4,0,0]=4 64 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,0,0,0,0,0|2,0,0]=2 66 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,0,0,0,0,0|1,0,0]=1 67 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,0,0,0,0,0|2,0,1]=3 68 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,0,0,0,0,0|1,0,2]=3 69 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,0,0,0,0,0|1,0,0]=1 70 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,0,0,0,0,0|1,0,0]=1 71 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,0,0,0,0,0|1,0,2]=3 72 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,0,0,0,0,0|2,0,0]=2 73 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,0,0,0,0,0|2,0,0]=2 74 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,0,0,0,0,0|1,0,0]=1 75 B4R0.1 C[C](C)C=O CNP0568847.0 [0,0,0,0,0,0|0,0,3]=3 76 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [0,0,0,0,0,0|3,0,0]=3 77 B4R0.1 N#CC(Br)Br CNP0587033.0 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.1 N#C[C@@H](Cl)Br CNP0498573.1 [0,0,0,0,0,0|3,0,1]=4 79 B4R0.1 N=C(N)NO CNP0496900.0 [0,0,0,0,0,0|3,0,1]=4 80 B4R0.1 NC(=O)CCl CNP0572781.0 [0,0,0,0,0,0|3,0,1]=4 81 B4R0.1 NC(=O)CI CNP0573172.0 [0,0,0,0,0,0|3,0,1]=4 82 B4R0.1 NC(=O)CO CNP0610142.0 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 NC(=O)NO CNP0593192.0 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 NCC(=O)N CNP0542212.0 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.1 NCC(=O)O CNP0563879.0 [0,0,0,0,0,0|3,0,1]=4 86 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,0,0,0,0,0|3,0,1]=4 87 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,0,0,0,0,0|3,0,1]=4 88 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,0,0,0,0,0|3,0,1]=4 89 B4R0.1 O=C(O)CBr CNP0605480.0 [0,0,0,0,0,0|3,0,1]=4 90 B4R0.1 O=C(O)CCl CNP0514898.0 [0,0,0,0,0,0|3,0,1]=4 91 B4R0.1 O=C(O)CI CNP0542117.0 [0,0,0,0,0,0|3,0,1]=4 92 B4R0.1 O=C(O)CO CNP0564020.0 [0,0,0,0,0,0|2,0,1]=3 93 B4R0.1 O=C(O)CS CNP0502399.0 [0,0,0,0,0,0|2,1,1]=4 94 B4R0.1 O=CC(Br)Br CNP0551465.0 [0,0,0,0,0,0|2,0,2]=4 95 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [0,0,0,0,0,0|2,0,2]=4 96 B4R0.1 OCC(Cl)Cl CNP0479097.0 [0,0,0,0,0,0|2,0,0]=2 97 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [0,0,0,0,0,0|3,0,0]=3 98 B3R0.1 BrCCBr CNP0591557.0 [1,0,0,0,0,0|2,0,0]=3 99 B3R0.1 BrCCI CNP0495630.0 [1,0,0,0,0,0|2,0,0]=3 100 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.1 C#CCO CNP0488604.0 [1,0,0,0,0,0|0,0,2]=3 102 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|2,0,0]=3 103 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|1,0,2]=4 104 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|1,0,1]=3 105 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|1,0,2]=4 106 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|0,0,2]=3 107 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|0,1,2]=4 108 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|2,0,1]=4 109 B3R0.1 CC#CC CNP0556029.0 [1,0,0,0,0,0|1,0,2]=4 110 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|1,0,2]=4 111 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|1,0,2]=4 112 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|0,1,2]=4 113 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|1,0,1]=3 114 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|2,0,1]=4 115 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|1,0,1]=3 116 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|0,0,2]=3 117 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|0,1,1]=3 118 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|1,0,0]=2 119 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|1,0,0]=2 120 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|1,0,0]=2 121 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|1,0,0]=2 122 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|0,0,0]=1 123 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|0,1,0]=2 124 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|1,0,1]=3 125 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|2,0,0]=3 126 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|2,0,0]=3 127 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|1,0,0]=2 128 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|2,0,0]=3 129 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|1,0,0]=2 130 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|1,0,2]=4 131 B3R0.1 CN=C=S CNP0601890.0 [1,0,0,0,0,0|1,1,1]=4 132 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|1,0,2]=4 133 B3R0.1 CNNC CNP0493834.0 [1,0,0,0,0,0|3,0,0]=4 134 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|1,0,2]=4 135 B3R0.1 COOC CNP0610139.0 [1,0,0,0,0,0|3,0,0]=4 136 B3R0.1 CSC#N CNP0493602.0 [1,0,0,0,0,0|2,0,1]=4 137 B3R0.1 CSSC CNP0600942.0 [1,0,0,0,0,0|3,0,0]=4 138 B3R0.1 C[Se][Se]C CNP0508246.0 [1,0,0,0,0,0|3,0,0]=4 139 B3R0.1 ClCCBr CNP0493040.0 [1,0,0,0,0,0|2,0,0]=3 140 B3R0.1 ClCCCl CNP0592018.0 [1,0,0,0,0,0|2,0,0]=3 141 B3R0.1 N#CCI CNP0547629.0 [1,0,0,0,0,0|2,0,1]=4 142 B3R0.1 N#CCS CNP0566385.0 [1,0,0,0,0,0|1,1,1]=4 143 B3R0.1 N#CSO CNP0569271.0 [1,0,0,0,0,0|2,0,1]=4 144 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|2,0,1]=4 145 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|1,0,2]=4 146 B3R0.1 NCCN CNP0531974.0 [1,0,0,0,0,0|2,0,0]=3 147 B3R0.1 NCCO CNP0581653.0 [1,0,0,0,0,0|1,0,0]=2 148 B3R0.1 NCCS CNP0490978.0 [1,0,0,0,0,0|1,1,0]=3 149 B3R0.1 NCC[O] CNP0586934.0 [1,0,0,0,0,0|1,0,1]=3 150 B3R0.1 O=BOO CNP0541096.0 [1,0,0,0,0,0|3,0,0]=4 151 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|1,0,2]=4 152 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|1,0,1]=3 153 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|1,0,2]=4 154 B3R0.1 O=NOO CNP0508221.0 [1,0,0,0,0,0|3,0,0]=4 155 B3R0.1 OC=CO CNP0508859.0 [1,0,0,0,0,0|1,0,2]=4 156 B3R0.1 OCCCl CNP0532317.0 [1,0,0,0,0,0|1,0,0]=2 157 B3R0.1 OCCI CNP0489668.0 [1,0,0,0,0,0|1,0,0]=2 158 B3R0.1 OCCO CNP0484938.0 [1,0,0,0,0,0|1,0,0]=2 159 B3R0.1 OCCS CNP0576505.0 [1,0,0,0,0,0|1,0,0]=2 160 B3R0.1 SCCS CNP0506336.0 [1,0,0,0,0,0|1,1,0]=3 161 B3R0.2 BrC(Br)Br CNP0524050.0 [1,0,0,0,0,0|3,0,0]=4 162 B3R0.2 BrC(Br)I CNP0520248.0 [1,0,0,0,0,0|3,0,0]=4 163 B3R0.2 BrC(I)I CNP0514657.0 [1,0,0,0,0,0|3,0,0]=4 164 B3R0.2 C=C(C)C CNP0512482.0 [1,0,0,0,0,0|0,0,2]=3 165 B3R0.2 C=C(C)O CNP0514997.0 [1,0,0,0,0,0|0,0,2]=3 166 B3R0.2 CC(=N)S CNP0537692.0 [1,0,0,0,0,0|1,1,1]=4 167 B3R0.2 CC(=O)C CNP0572494.0 [1,0,0,0,0,0|0,0,2]=3 168 B3R0.2 CC(=O)Cl CNP0537278.0 [1,0,0,0,0,0|1,0,2]=4 169 B3R0.2 CC(=O)N CNP0570171.0 [1,0,0,0,0,0|1,0,2]=4 170 B3R0.2 CC(=O)O CNP0495539.0 [1,0,0,0,0,0|1,0,1]=3 171 B3R0.2 CC(=O)[O-] CNP0505268.0 [1,0,0,0,0,0|1,0,2]=4 172 B3R0.2 CC(=S)N CNP0579768.0 [1,0,0,0,0,0|1,1,1]=4 173 B3R0.2 CC(C)C CNP0580677.0 [1,0,0,0,0,0|0,0,0]=1 174 B3R0.2 CC(C)I CNP0515098.0 [1,0,0,0,0,0|1,0,0]=2 175 B3R0.2 CC(C)N CNP0574231.0 [1,0,0,0,0,0|1,0,0]=2 176 B3R0.2 CC(C)O CNP0603430.0 [1,0,0,0,0,0|0,0,0]=1 177 B3R0.2 CC(C)S CNP0483016.0 [1,0,0,0,0,0|0,1,0]=2 178 B3R0.2 CN(C)C CNP0522907.0 [1,0,0,0,0,0|1,0,0]=2 179 B3R0.2 CN(C)N CNP0573264.0 [1,0,0,0,0,0|2,0,0]=3 180 B3R0.2 CP(=O)O CNP0480086.0 [1,0,0,0,0,0|2,0,0]=3 181 B3R0.2 CP(C)C CNP0586622.0 [1,0,0,0,0,0|1,0,0]=2 182 B3R0.2 CS(=S)O CNP0609306.0 [1,0,0,0,0,0|2,0,0]=3 183 B3R0.2 C[As](C)C CNP0539997.0 [1,0,0,0,0,0|1,0,0]=2 184 B3R0.2 C[As](C)O CNP0541907.0 [1,0,0,0,0,0|1,0,0]=2 185 B3R0.2 C[As](O)O CNP0579708.0 [1,0,0,0,0,0|2,0,0]=3 186 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [1,0,0,0,0,0|2,0,1]=4 187 B3R0.2 C[S+](C)C CNP0555694.0 [1,0,0,0,0,0|1,0,0]=2 188 B3R0.2 C[S+](C)[O-] CNP0499675.0 [1,0,0,0,0,0|1,0,1]=3 189 B3R0.2 C[Se+](C)C CNP0504179.0 [1,0,0,0,0,0|1,0,0]=2 190 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [1,0,0,0,0,0|1,1,0]=3 191 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [1,0,0,0,0,0|1,1,0]=3 192 B3R0.2 C[Se](=O)O CNP0501647.0 [1,0,0,0,0,0|2,0,0]=3 193 B3R0.2 ClC(Br)Br CNP0573891.0 [1,0,0,0,0,0|3,0,0]=4 194 B3R0.2 ClC(Cl)Br CNP0524174.0 [1,0,0,0,0,0|3,0,0]=4 195 B3R0.2 ClC(Cl)Cl CNP0479643.0 [1,0,0,0,0,0|3,0,0]=4 196 B3R0.2 Cl[C@@H](Br)I CNP0538147.2 [1,0,0,0,0,0|3,0,0]=4 197 B3R0.2 Cl[C@H](Br)I CNP0538147.1 [1,0,0,0,0,0|3,0,0]=4 198 B3R0.2 IC(I)I CNP0599207.0 [1,0,0,0,0,0|3,0,0]=4 199 B3R0.2 NC(=O)O CNP0575336.0 [1,0,0,0,0,0|2,0,1]=4 200 B3R0.2 O=C(O)O CNP0491655.0 [1,0,0,0,0,0|2,0,1]=4 201 B3R0.2 O=C(O)P CNP0562466.0 [1,0,0,0,0,0|2,0,1]=4 202 B3R0.2 O=P(O)O CNP0517495.0 [1,0,0,0,0,0|3,0,0]=4 203 B3R0.2 O=S(=O)O CNP0578309.0 [1,0,0,0,0,0|3,0,0]=4 204 B3R0.2 O=S(O)O CNP0520227.0 [1,0,0,0,0,0|3,0,0]=4 205 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [1,0,0,0,0,0|3,0,0]=4 206 B3R0.2 O=[N+]([O-])O CNP0534371.0 [1,0,0,0,0,0|3,0,0]=4 207 B3R0.2 O=[Se](O)O CNP0605088.0 [1,0,0,0,0,0|3,0,0]=4 208 B3R0.2 O=[Si](O)O CNP0567325.0 [1,0,0,0,0,0|2,1,0]=4 209 B3R0.2 OB(O)O CNP0568939.0 [1,0,0,0,0,0|3,0,0]=4 210 B3R0.2 OC(O)O CNP0594478.0 [1,0,0,0,0,0|2,0,0]=3 211 B3R0.2 O[As](O)O CNP0559543.0 [1,0,0,0,0,0|3,0,0]=4 212 B3R0.2 O[Sb](O)O CNP0536687.0 [1,0,0,0,0,0|3,0,0]=4 213 B3R0.2 O[Zn-](O)O CNP0493920.0 [1,0,0,0,0,0|3,0,0]=4 214 B3R0.2 [CH2]C(C)C CNP0571096.0 [1,0,0,0,0,0|0,0,1]=2 215 B3R0.2 [O-][Br+2]([O-])O CNP0595435.0 [1,0,0,0,0,0|3,0,0]=4 216 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [1,0,0,0,0,0|3,0,0]=4 217 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,1,0,0,0,0|1,0,2]=4 219 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|1,0,2]=4 220 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|0,0,2]=3 221 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,1,0,0,0,0|1,0,2]=4 222 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.1 C=CCC(C)C CNP0293683.0 [0,1,0,0,0,0|1,0,0]=2 224 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|2,0,0]=3 225 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,1,0,0,0,0|3,0,0]=4 226 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,1,0,0,0,0|3,0,0]=4 227 B5R0.1 C=COC(C)C CNP0491165.0 [0,1,0,0,0,0|1,0,1]=3 228 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,1,0,0,0,0|1,0,2]=4 229 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,1,0,0,0,0|0,0,3]=4 230 B5R0.1 CC(=CCO)C CNP0241702.0 [0,1,0,0,0,0|0,0,1]=2 231 B5R0.1 CC(=CCS)C CNP0262600.0 [0,1,0,0,0,0|0,1,1]=3 232 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,1,0,0,0,0|1,0,2]=4 233 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|1,1,1]=4 235 B5R0.1 CC(=O)OCS CNP0547679.0 [0,1,0,0,0,0|1,1,1]=4 236 B5R0.1 CC(C)C=CO CNP0546358.0 [0,1,0,0,0,0|0,0,1]=2 237 B5R0.1 CC(C)C=NO CNP0180575.0 [0,1,0,0,0,0|0,0,1]=2 238 B5R0.1 CC(C)CC#N CNP0003467.0 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.1 CC(C)CC=O CNP0200023.0 [0,1,0,0,0,0|0,0,1]=2 240 B5R0.1 CC(C)CCN CNP0107663.0 [0,1,0,0,0,0|1,0,0]=2 241 B5R0.1 CC(C)CCO CNP0115711.0 [0,1,0,0,0,0|0,0,0]=1 242 B5R0.1 CC(C)CCS CNP0222694.0 [0,1,0,0,0,0|0,1,0]=2 243 B5R0.1 CC(C)CNO CNP0343206.0 [0,1,0,0,0,0|0,0,0]=1 244 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,1,0,0,0,0|0,0,2]=3 245 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,1,0,0,0,0|0,1,1]=3 246 B5R0.1 CC(C)OC=O CNP0079775.0 [0,1,0,0,0,0|0,0,2]=3 247 B5R0.1 CC(C)ON=N CNP0504626.0 [0,1,0,0,0,0|2,0,0]=3 248 B5R0.1 CC(O)CCS CNP0002409.0 [0,1,0,0,0,0|1,1,0]=3 249 B5R0.1 CC(S)CCS CNP0003105.0 [0,1,0,0,0,0|1,1,0]=3 250 B5R0.1 CC=CC(C)C CNP0513218.0 [0,1,0,0,0,0|1,0,1]=3 251 B5R0.1 CC=CC(C)O CNP0150168.0 [0,1,0,0,0,0|2,0,1]=4 252 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|1,0,1]=3 253 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|2,0,1]=4 254 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|2,0,1]=4 255 B5R0.1 CCCC(C)C CNP0319065.0 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.1 CCCC(C)S CNP0029638.0 [0,1,0,0,0,0|2,0,0]=3 257 B5R0.1 CCCC(O)O CNP0076336.0 [0,1,0,0,0,0|3,0,0]=4 258 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|2,0,1]=4 262 B5R0.1 CCOC(C)C CNP0604172.0 [0,1,0,0,0,0|1,0,0]=2 263 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|2,0,1]=4 265 B5R0.1 CCSC(C)C CNP0254931.0 [0,1,0,0,0,0|1,0,0]=2 266 B5R0.1 CCSC(C)S CNP0579398.0 [0,1,0,0,0,0|2,0,0]=3 267 B5R0.1 CN(C)CC#N CNP0084986.0 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.1 CN(C)CCCl CNP0328789.0 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.1 CN(C)CCO CNP0230038.0 [0,1,0,0,0,0|1,0,0]=2 270 B5R0.1 CN=CC(C)C CNP0149349.0 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.1 CNCC(C)C CNP0273998.0 [0,1,0,0,0,0|1,0,0]=2 272 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|1,0,1]=3 273 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.1 COCC(C)C CNP0528468.0 [0,1,0,0,0,0|0,0,0]=1 275 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|1,1,1]=4 276 B5R0.1 CSCC(C)C CNP0405087.0 [0,1,0,0,0,0|0,1,0]=2 277 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,1,0,0,0,0|2,1,0]=4 278 B5R0.1 CSSC(C)C CNP0267830.0 [0,1,0,0,0,0|1,1,0]=3 279 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,1,0,0,0,0|2,0,0]=3 280 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|1,0,1]=3 281 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,1,0,0,0,0|1,0,0]=2 282 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,1,0,0,0,0|1,0,0]=2 283 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,1,0,0,0,0|2,0,0]=3 284 B5R0.1 NOCC(=O)O CNP0293826.0 [0,1,0,0,0,0|2,0,1]=4 285 B5R0.1 O=C(O)CCO CNP0228379.0 [0,1,0,0,0,0|2,0,1]=4 286 B5R0.1 O=C(O)CNO CNP0316873.0 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,1,0,0,0,0|3,0,0]=4 288 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,1,0,0,0,0|1,0,2]=4 289 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|2,0,1]=4 290 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,1,0,0,0,0|0,0,1]=2 291 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|2,0,1]=4 292 B5R0.3 CC(=NO)CO CNP0284253.0 [0,1,0,0,0,0|1,0,1]=3 293 B5R0.3 CC(CO)CO CNP0282467.0 [0,1,0,0,0,0|0,0,0]=1 294 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,1,0,0,0,0|0,0,3]=4 295 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|1,0,1]=3 296 B5R0.3 CC=C(C)CO CNP0120418.0 [0,1,0,0,0,0|0,0,1]=2 297 B5R0.3 CCC(=CS)C CNP0025997.0 [0,1,0,0,0,0|0,1,2]=4 298 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|2,0,1]=4 299 B5R0.3 CCC(=O)CO CNP0165007.0 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|2,0,1]=4 301 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|2,0,1]=4 302 B5R0.3 CCC(C)CC CNP0316485.0 [0,1,0,0,0,0|1,0,0]=2 303 B5R0.3 CCC(C)CS CNP0003009.0 [0,1,0,0,0,0|0,1,0]=2 304 B5R0.3 CCC(N)CC CNP0103985.0 [0,1,0,0,0,0|2,0,0]=3 305 B5R0.3 CCC(N)NC CNP0278870.0 [0,1,0,0,0,0|2,0,0]=3 306 B5R0.3 CCC(O)CC CNP0293075.0 [0,1,0,0,0,0|2,0,0]=3 307 B5R0.3 CCC(O)CCl CNP0366953.0 [0,1,0,0,0,0|2,0,0]=3 308 B5R0.3 CCC(O)CO CNP0534149.0 [0,1,0,0,0,0|1,0,0]=2 309 B5R0.3 CCC(S)CS CNP0197461.0 [0,1,0,0,0,0|1,1,0]=3 310 B5R0.3 CCC(S)SC CNP0609154.0 [0,1,0,0,0,0|2,0,0]=3 311 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|0,0,2]=3 312 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,1,0,0,0,0|0,0,0]=1 313 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,1,0,0,0,0|1,0,1]=3 314 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|0,0,2]=3 315 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,1,0,0,0,0|1,0,0]=2 316 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,1,0,0,0,0|0,0,0]=1 317 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,1,0,0,0,0|1,0,0]=2 318 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,1,0,0,0,0|2,0,0]=3 319 B5R0.3 CC[S](C)CC CNP0523180.0 [0,1,0,0,0,0|2,0,0]=3 320 B5R0.3 CN(C=O)CO CNP0412364.0 [0,1,0,0,0,0|1,0,1]=3 321 B5R0.3 COC(=O)CI CNP0017842.0 [0,1,0,0,0,0|2,0,1]=4 322 B5R0.3 COC(C)CO CNP0485411.0 [0,1,0,0,0,0|0,0,0]=1 323 B5R0.3 COC(C)OC CNP0122626.0 [0,1,0,0,0,0|2,0,0]=3 324 B5R0.3 CSC(C)SC CNP0610569.0 [0,1,0,0,0,0|2,0,0]=3 325 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,1,0,0,0,0|2,0,0]=3 326 B5R0.3 NC(CO)CO CNP0535001.0 [0,1,0,0,0,0|1,0,0]=2 327 B5R0.3 NCC(=O)NO CNP0470573.0 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,1,0,0,0,0|2,0,1]=4 329 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,1,0,0,0,0|2,0,1]=4 330 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,1,0,0,0,0|2,0,1]=4 331 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,1,0,0,0,0|2,0,1]=4 332 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,1,0,0,0,0|2,0,1]=4 333 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,1,0,0,0,0|1,0,1]=3 334 B5R0.3 O=C(CO)CO CNP0303926.0 [0,1,0,0,0,0|1,0,1]=3 335 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,1,0,0,0,0|1,0,1]=3 336 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,1,0,0,0,0|2,0,0]=3 337 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,1,0,0,0,0|2,0,0]=3 338 B5R0.3 OC(CI)CI CNP0161531.0 [0,1,0,0,0,0|2,0,0]=3 339 B5R0.3 OC(CP)CP CNP0345632.0 [0,1,0,0,0,0|2,0,0]=3 340 B5R0.3 OCC(O)CCl CNP0334066.0 [0,1,0,0,0,0|1,0,0]=2 341 B5R0.3 OCC(O)CO CNP0259986.0 [0,1,0,0,0,0|1,0,0]=2 342 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,1,0,0,0,0|1,0,0]=2 343 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,1,0,0,0,0|1,0,0]=2 344 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,1,0,0,0,0|1,0,0]=2 345 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,1,0,0,0,0|1,0,0]=2 346 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,1,0,0,0,0|2,0,0]=3 347 B5R0.3 PCC(P)CP CNP0345634.0 [0,1,0,0,0,0|2,0,0]=3 348 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,1,0,0,0,0|1,0,2]=4 349 B5R0.4 C#CC(C)(C)O CNP0277501.0 [0,1,0,0,0,0|1,0,1]=3 350 B5R0.4 C=CC(C)(C)O CNP0337361.0 [0,1,0,0,0,0|1,0,1]=3 351 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [0,1,0,0,0,0|2,0,1]=4 352 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [0,1,0,0,0,0|2,0,1]=4 353 B5R0.4 CC(C)(C)C=O CNP0320383.0 [0,1,0,0,0,0|0,0,2]=3 354 B5R0.4 CC(C)(C)N=O CNP0030824.0 [0,1,0,0,0,0|1,0,1]=3 355 B5R0.4 CC(C)(C)OO CNP0609042.0 [0,1,0,0,0,0|1,0,0]=2 356 B5R0.4 CC(C)(O)C#N CNP0157587.0 [0,1,0,0,0,0|1,0,1]=3 357 B5R0.4 CC(C)(O)C=O CNP0300882.0 [0,1,0,0,0,0|0,0,2]=3 358 B5R0.4 CC(C)(O)CN CNP0332905.0 [0,1,0,0,0,0|1,0,0]=2 359 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,1,0,0,0,0|0,0,0]=1 360 B5R0.4 CC(C)(S)CS CNP0258725.0 [0,1,0,0,0,0|0,1,0]=2 361 B5R0.4 CCC(C)(C)C CNP0113159.0 [0,1,0,0,0,0|1,0,0]=2 362 B5R0.4 CCC(C)(C)I CNP0076730.0 [0,1,0,0,0,0|1,0,0]=2 363 B5R0.4 CCC(C)(C)N CNP0083061.0 [0,1,0,0,0,0|1,0,0]=2 364 B5R0.4 CCC(C)(C)O CNP0239239.0 [0,1,0,0,0,0|1,0,0]=2 365 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [0,1,0,0,0,0|1,1,0]=3 366 B5R0.4 COC(C)(C)C CNP0379426.0 [0,1,0,0,0,0|2,0,0]=3 367 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,1,0,0,0,0|3,0,0]=4 368 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,1,0,0,0,0|1,0,0]=2 369 B5R0.4 O=P(O)(O)CO CNP0297464.0 [0,1,0,0,0,0|3,0,0]=4 370 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [0,1,0,0,0,0|3,0,0]=4 371 B5R0.4 OCC(Cl)(Cl)Cl CNP0418010.0 [0,1,0,0,0,0|2,0,0]=3 372 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,1,0,0,0,0|0,0,3]=4 373 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,1,0,0,0,0|0,0,2]=3 374 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,1,0,0,0,0|0,0,2]=3 375 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,1,0,0,0,0|0,0,1]=2 376 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,1,0,0,0,0|1,0,2]=4 377 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,1,0,0,0,0|0,0,2]=3 378 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,1,0,0,0,0|1,0,2]=4 379 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,1,0,0,0,0|1,0,2]=4 380 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,1,0,0,0,0|2,0,1]=4 381 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,1,0,0,0,0|0,0,2]=3 382 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,1,0,0,0,0|1,0,2]=4 383 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,1,0,0,0,0|1,0,1]=3 384 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,1,0,0,0,0|1,0,2]=4 385 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,1,0,0,0,0|1,0,1]=3 386 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,1,0,0,0,0|1,0,1]=3 387 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,1,0,0,0,0|0,0,2]=3 388 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,1,0,0,0,0|0,0,2]=3 389 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,1,0,0,0,0|0,0,1]=2 390 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,1,0,0,0,0|1,0,0]=2 391 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,1,0,0,0,0|2,0,0]=3 392 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,1,0,0,0,0|1,0,0]=2 393 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,1,0,0,0,0|0,0,0]=1 394 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,1,0,0,0,0|0,1,0]=2 395 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,1,0,0,0,0|0,0,0]=1 396 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,1,0,0,0,0|1,0,1]=3 397 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,1,0,0,0,0|1,0,2]=4 398 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,1,0,0,0,0|1,0,2]=4 399 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,1,0,0,0,0|1,0,2]=4 400 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,1,0,0,0,0|1,0,2]=4 401 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,1,0,0,0,0|1,0,2]=4 402 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,1,0,0,0,0|1,0,0]=2 403 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,1,0,0,0,0|1,1,0]=3 404 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,1,0,0,0,0|2,0,1]=4 405 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,1,0,0,0,0|1,1,1]=4 406 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,1,0,0,0,0|1,0,1]=3 407 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,1,0,0,0,0|1,0,1]=3 408 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,1,0,0,0,0|1,0,0]=2 409 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,1,0,0,0,0|1,0,1]=3 410 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,1,0,0,0,0|1,0,1]=3 411 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [0,1,0,0,0,0|2,0,0]=3 412 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,1,0,0,0,0|1,0,0]=2 413 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,1,0,0,0,0|1,0,0]=2 414 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,1,0,0,0,0|1,0,1]=3 415 B5R0.5 ClC(Cl)C(Cl)Cl CNP0311098.0 [0,1,0,0,0,0|3,0,0]=4 416 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,1,0,0,0,0|2,0,1]=4 417 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,1,0,0,0,0|2,0,1]=4 418 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,1,0,0,0,0|2,0,1]=4 419 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,1,0,0,0,0|2,0,1]=4 420 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,1,0,0,0,0|2,0,1]=4 421 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,1,0,0,0,0|2,0,1]=4 422 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,1,0,0,0,0|2,0,1]=4 423 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,1,0,0,0,0|2,0,1]=4 424 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,1,0,0,0,0|2,0,1]=4 425 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,1,0,0|1,0,0]=2 426 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,1,0,0|2,0,0]=3 427 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,1,0,0|2,0,0]=3 428 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,1,0,0|3,0,0]=4 429 B5R1.3 CC=C1CC1 CNP0594561.0 [0,0,0,1,0,0|1,0,2]=4 430 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,0,0,1,0,0|2,0,0]=3 431 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,0,0,1,0,0|2,0,0]=3 432 B5R1.3 OCC1CC1 CNP0604045.0 [0,0,0,1,0,0|0,0,0]=1 433 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,1,0,0|1,0,0]=2 434 B5R1.4 CC1OC1C CNP0609093.0 [0,0,0,1,0,0|2,0,0]=3 435 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,1,0,0|2,0,0]=3 436 B5R1.5 CC1(CO1)C CNP0494243.0 [0,0,0,1,0,0|0,0,0]=1 437 B5R1.5 ClC1(CO1)Cl CNP0513034.0 [0,0,0,1,0,0|2,0,0]=3 438 B2R0.1 BrCBr CNP0494232.0 [2,0,0,0,0,0|2,0,0]=4 439 B2R0.1 BrCI CNP0594254.0 [2,0,0,0,0,0|2,0,0]=4 440 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|0,0,2]=4 441 B2R0.1 C=CO CNP0606787.0 [2,0,0,0,0,0|0,0,2]=4 442 B2R0.1 C=NO CNP0573273.0 [2,0,0,0,0,0|1,0,1]=4 443 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|1,0,1]=4 444 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|0,0,2]=4 445 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,0]=3 446 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|0,0,0]=2 447 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,0]=3 448 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,0]=3 449 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|1,0,0]=3 450 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|0,0,0]=2 451 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|0,1,0]=3 452 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|2,0,0]=4 453 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|1,0,0]=3 454 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|2,0,0]=4 455 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|1,0,0]=3 456 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|2,0,0]=4 457 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|1,0,0]=3 458 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|1,0,0]=3 459 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|1,1,0]=4 460 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|0,0,2]=4 461 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|0,0,1]=3 462 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|1,0,0]=3 463 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|1,0,0]=3 464 B2R0.1 ClCBr CNP0528283.0 [2,0,0,0,0,0|2,0,0]=4 465 B2R0.1 ClCCl CNP0529345.0 [2,0,0,0,0,0|2,0,0]=4 466 B2R0.1 ClCI CNP0600514.0 [2,0,0,0,0,0|2,0,0]=4 467 B2R0.1 ICI CNP0526769.0 [2,0,0,0,0,0|2,0,0]=4 468 B2R0.1 N#CO CNP0521200.0 [2,0,0,0,0,0|1,0,1]=4 469 B2R0.1 O=BO CNP0512281.0 [2,0,0,0,0,0|2,0,0]=4 470 B2R0.1 O=CO CNP0494819.0 [2,0,0,0,0,0|1,0,1]=4 471 B2R0.1 O=NO CNP0506888.0 [2,0,0,0,0,0|2,0,0]=4 472 B2R0.1 O=PO CNP0574430.0 [2,0,0,0,0,0|2,0,0]=4 473 B2R0.1 OCO CNP0551435.0 [2,0,0,0,0,0|1,0,0]=3 474 B2R0.1 OOO CNP0557106.0 [2,0,0,0,0,0|2,0,0]=4 475 B2R0.1 OPO CNP0602064.0 [2,0,0,0,0,0|2,0,0]=4 476 B2R0.1 SCS CNP0488241.0 [2,0,0,0,0,0|1,1,0]=4 477 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|1,0,1]=4 478 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|0,0,2]=4 479 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|0,0,1]=3 480 B2R0.1 [O-][Cl+]O CNP0497237.0 [2,0,0,0,0,0|2,0,0]=4 481 B4R0.2 C#CCCC CNP0510243.0 [1,1,0,0,0,0|1,0,0]=3 482 B4R0.2 C#CCCO CNP0577358.0 [1,1,0,0,0,0|0,0,1]=3 483 B4R0.2 C=C=CCC CNP0484675.0 [1,1,0,0,0,0|1,0,1]=4 484 B4R0.2 C=CCCC CNP0529271.0 [1,1,0,0,0,0|1,0,0]=3 485 B4R0.2 C=CCCN CNP0493733.0 [1,1,0,0,0,0|1,0,1]=4 486 B4R0.2 C=CCCO CNP0599473.0 [1,1,0,0,0,0|0,0,1]=3 487 B4R0.2 C=CCSC CNP0572475.0 [1,1,0,0,0,0|1,0,1]=4 488 B4R0.2 C=CCSO CNP0600527.0 [1,1,0,0,0,0|0,0,2]=4 489 B4R0.2 C=CC[Se]C CNP0612039.0 [1,1,0,0,0,0|1,0,1]=4 490 B4R0.2 C=COCC CNP0567970.0 [1,1,0,0,0,0|1,0,1]=4 491 B4R0.2 C=CSCC CNP0581257.0 [1,1,0,0,0,0|1,0,1]=4 492 B4R0.2 CC#CCC CNP0516358.0 [1,1,0,0,0,0|1,0,1]=4 493 B4R0.2 CC=CCC CNP0524560.0 [1,1,0,0,0,0|1,0,1]=4 494 B4R0.2 CC=CCO CNP0498228.0 [1,1,0,0,0,0|0,0,1]=3 495 B4R0.2 CC=CCS CNP0606069.0 [1,1,0,0,0,0|0,1,1]=4 496 B4R0.2 CC=CSO CNP0521494.0 [1,1,0,0,0,0|0,0,2]=4 497 B4R0.2 CCC#CO CNP0612045.0 [1,1,0,0,0,0|0,0,1]=3 498 B4R0.2 CCC=NO CNP0599998.0 [1,1,0,0,0,0|0,0,1]=3 499 B4R0.2 CCC=S=O CNP0514855.0 [1,1,0,0,0,0|0,0,2]=4 500 B4R0.2 CCCC=O CNP0518034.0 [1,1,0,0,0,0|0,0,1]=3 501 B4R0.2 CCCCC CNP0486380.0 [1,1,0,0,0,0|1,0,0]=3 502 B4R0.2 CCCCI CNP0558480.0 [1,1,0,0,0,0|1,0,0]=3 503 B4R0.2 CCCCN CNP0597509.0 [1,1,0,0,0,0|1,0,0]=3 504 B4R0.2 CCCCO CNP0505612.0 [1,1,0,0,0,0|0,0,0]=2 505 B4R0.2 CCCCS CNP0598878.0 [1,1,0,0,0,0|0,1,0]=3 506 B4R0.2 CCCNC CNP0599313.0 [1,1,0,0,0,0|1,0,0]=3 507 B4R0.2 CCCOC CNP0609062.0 [1,1,0,0,0,0|0,0,0]=2 508 B4R0.2 CCCSC CNP0481317.0 [1,1,0,0,0,0|0,1,0]=3 509 B4R0.2 CCCSO CNP0594110.0 [1,1,0,0,0,0|0,0,0]=2 510 B4R0.2 CCN=C=S CNP0601773.0 [1,1,0,0,0,0|0,1,1]=4 511 B4R0.2 CCNCC CNP0491960.0 [1,1,0,0,0,0|1,0,0]=3 512 B4R0.2 CCOC=O CNP0525155.0 [1,1,0,0,0,0|0,0,2]=4 513 B4R0.2 CCOCC CNP0572765.0 [1,1,0,0,0,0|1,0,0]=3 514 B4R0.2 CCON=O CNP0596964.0 [1,1,0,0,0,0|1,0,1]=4 515 B4R0.2 CCSC#N CNP0540962.0 [1,1,0,0,0,0|1,0,1]=4 516 B4R0.2 CCSCC CNP0518873.0 [1,1,0,0,0,0|1,0,0]=3 517 B4R0.2 CCSSC CNP0571147.0 [1,1,0,0,0,0|1,1,0]=4 518 B4R0.2 CNCCN CNP0496542.0 [1,1,0,0,0,0|1,0,0]=3 519 B4R0.2 CNCCO CNP0513801.0 [1,1,0,0,0,0|0,0,0]=2 520 B4R0.2 COCCI CNP0495552.0 [1,1,0,0,0,0|1,0,0]=3 521 B4R0.2 COCCO CNP0561250.0 [1,1,0,0,0,0|0,0,0]=2 522 B4R0.2 COCC[Si] CNP0501162.0 [1,1,0,0,0,0|0,1,0]=3 523 B4R0.2 CSCC=O CNP0555203.0 [1,1,0,0,0,0|0,0,2]=4 524 B4R0.2 CSCCO CNP0574269.0 [1,1,0,0,0,0|0,0,0]=2 525 B4R0.2 CSCSC CNP0591427.0 [1,1,0,0,0,0|1,1,0]=4 526 B4R0.2 N#CCCN CNP0502764.0 [1,1,0,0,0,0|1,0,1]=4 527 B4R0.2 NCCC=O CNP0502520.0 [1,1,0,0,0,0|0,0,2]=4 528 B4R0.2 NCCCN CNP0566837.0 [1,1,0,0,0,0|1,0,0]=3 529 B4R0.2 NCCCO CNP0538228.0 [1,1,0,0,0,0|0,0,0]=2 530 B4R0.2 NCCCS CNP0560812.0 [1,1,0,0,0,0|0,1,0]=3 531 B4R0.2 NOCON CNP0531529.0 [1,1,0,0,0,0|2,0,0]=4 532 B4R0.2 O=CCCO CNP0525339.0 [1,1,0,0,0,0|0,0,1]=3 533 B4R0.2 OCC=CCl CNP0578872.0 [1,1,0,0,0,0|0,0,2]=4 534 B4R0.2 OCCCBr CNP0506989.0 [1,1,0,0,0,0|0,0,0]=2 535 B4R0.2 OCCCO CNP0503416.0 [1,1,0,0,0,0|0,0,0]=2 536 B4R0.2 OCCCS CNP0586497.0 [1,1,0,0,0,0|0,0,0]=2 537 B4R0.2 SCCCS CNP0528691.0 [1,1,0,0,0,0|0,1,0]=3 538 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,1,0,0,0,0|1,0,0]=3 539 B4R0.3 CC(C)(C)C CNP0568936.0 [1,1,0,0,0,0|0,0,0]=2 540 B4R0.3 CC(C)(C)O CNP0541010.0 [1,1,0,0,0,0|0,0,0]=2 541 B4R0.3 CC(C)(N)N CNP0611679.0 [1,1,0,0,0,0|1,0,0]=3 542 B4R0.3 CC(Cl)(Cl)Cl CNP0581486.0 [1,1,0,0,0,0|2,0,0]=4 543 B4R0.3 CP(=O)(O)O CNP0605019.0 [1,1,0,0,0,0|2,0,0]=4 544 B4R0.3 CS(=O)(=O)C CNP0605129.0 [1,1,0,0,0,0|1,0,1]=4 545 B4R0.3 CS(=O)(=O)O CNP0491438.0 [1,1,0,0,0,0|2,0,0]=4 546 B4R0.3 CS(=S)(C)O CNP0608926.0 [1,1,0,0,0,0|1,0,0]=3 547 B4R0.3 C[As+](C)(C)C CNP0594598.0 [1,1,0,0,0,0|1,0,0]=3 548 B4R0.3 C[As](=O)(C)O CNP0492406.0 [1,1,0,0,0,0|1,0,0]=3 549 B4R0.3 C[As](=O)(O)O CNP0536186.0 [1,1,0,0,0,0|2,0,0]=4 550 B4R0.3 C[N+](C)(C)C CNP0519180.0 [1,1,0,0,0,0|1,0,0]=3 551 B4R0.3 C[N+](C)(C)C CNP0559650.0 [1,1,0,0,0,0|1,0,0]=3 552 B4R0.3 C[N+](C)(C)O CNP0585867.0 [1,1,0,0,0,0|1,0,0]=3 553 B4R0.3 C[N+](C)(C)[O-] CNP0598895.0 [1,1,0,0,0,0|1,0,0]=3 554 B4R0.3 C[Si](C)(C)Cl CNP0530881.0 [1,1,0,0,0,0|0,1,0]=3 555 B4R0.3 C[Si](C)(C)O CNP0575582.0 [1,1,0,0,0,0|0,1,0]=3 556 B4R0.3 C[Si](C)(O)O CNP0563438.0 [1,1,0,0,0,0|0,1,0]=3 557 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,2,0,0,0,0|0,0,2]=4 558 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,2,0,0,0,0|0,0,2]=4 559 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,2,0,0,0,0|0,0,2]=4 560 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,2,0,0,0,0|0,0,2]=4 561 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,2,0,0,0,0|0,0,1]=3 562 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,2,0,0,0,0|0,1,1]=4 563 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,2,0,0,0,0|2,0,0]=4 564 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,2,0,0,0,0|0,0,1]=3 565 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,2,0,0,0,0|0,0,1]=3 566 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,2,0,0,0,0|0,0,2]=4 567 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,2,0,0,0,0|0,0,2]=4 568 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,2,0,0,0,0|1,0,1]=4 569 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,2,0,0,0,0|0,0,1]=3 570 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,2,0,0,0,0|1,0,1]=4 571 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|1,0,1]=4 572 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,2,0,0,0,0|1,0,1]=4 573 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,2,0,0,0,0|0,0,2]=4 574 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,2,0,0,0,0|1,0,0]=3 575 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,2,0,0,0,0|0,0,0]=2 576 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,2,0,0,0,0|2,0,0]=4 578 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,2,0,0,0,0|1,0,0]=3 579 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,2,0,0,0,0|0,0,0]=2 580 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,2,0,0,0,0|1,0,0]=3 581 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.1 CCOC(C)CC CNP0086282.0 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.1 CCOC(C)OC CNP0612171.0 [0,2,0,0,0,0|1,0,0]=3 584 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.1 CCSC(C)SC CNP0611888.0 [0,2,0,0,0,0|1,0,0]=3 586 B6R0.1 CCSC(S)CC CNP0488688.0 [0,2,0,0,0,0|2,0,0]=4 587 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,2,0,0,0,0|0,0,0]=2 588 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,2,0,0,0,0|0,1,1]=4 589 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,2,0,0,0,0|1,0,0]=3 590 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,2,0,0,0,0|0,0,0]=2 591 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,2,0,0,0,0|0,1,1]=4 592 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,2,0,0,0,0|1,0,1]=4 593 B6R0.1 COCC(=O)OC CNP0202591.0 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,2,0,0,0,0|0,0,1]=3 597 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,2,0,0,0,0|2,0,0]=4 598 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,2,0,0,0,0|1,0,0]=3 600 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,2,0,0,0,0|1,0,0]=3 601 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,2,0,0,0,0|0,0,2]=4 603 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,2,0,0,0,0|1,0,1]=4 605 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|0,0,1]=3 606 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|1,0,1]=4 607 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|1,0,1]=4 608 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,2,0,0,0,0|0,0,2]=4 609 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,2,0,0,0,0|0,1,1]=4 610 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,2,0,0,0,0|0,0,1]=3 611 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,2,0,0,0,0|1,0,0]=3 612 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,2,0,0,0,0|0,0,0]=2 613 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,2,0,0,0,0|1,0,0]=3 614 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,2,0,0,0,0|0,0,1]=3 615 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,2,0,0,0,0|0,0,1]=3 616 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,2,0,0,0,0|0,0,2]=4 617 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,2,0,0,0,0|0,1,1]=4 618 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,2,0,0,0,0|1,0,0]=3 621 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,2,0,0,0,0|1,0,1]=4 622 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,2,0,0,0,0|1,1,0]=4 623 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,2,0,0,0,0|1,0,1]=4 624 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,2,0,0,0,0|1,0,0]=3 626 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,2,0,0,0,0|1,0,1]=4 627 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,2,0,0,0,0|0,0,0]=2 633 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,2,0,0,0,0|0,0,1]=3 634 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,2,0,0,0,0|1,0,1]=4 636 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,2,0,0,0,0|0,0,2]=4 638 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,2,0,0,0,0|0,0,2]=4 639 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,2,0,0,0,0|1,0,1]=4 641 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,2,0,0,0,0|0,0,2]=4 643 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,2,0,0,0,0|0,0,0]=2 644 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,2,0,0,0,0|0,0,1]=3 645 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,2,0,0,0,0|0,0,1]=3 646 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,2,0,0,0,0|0,0,1]=3 647 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,2,0,0,0,0|0,0,0]=2 648 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,2,0,0,0,0|0,0,0]=2 649 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,2,0,0,0,0|0,0,0]=2 650 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,2,0,0,0,0|0,0,0]=2 651 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,2,0,0,0,0|0,0,2]=4 653 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,2,0,0,0,0|1,0,1]=4 654 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,2,0,0,0,0|1,0,0]=3 655 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,2,0,0,0,0|2,0,0]=4 656 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,2,0,0,0,0|2,0,0]=4 657 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,2,0,0,0,0|2,0,0]=4 658 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,2,0,0,0,0|0,0,0]=2 661 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|2,0,0]=4 663 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,2,0,0,0,0|0,1,0]=3 664 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,2,0,0,0,0|0,0,2]=4 666 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,2,0,0,0,0|0,0,2]=4 667 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,2,0,0,0,0|0,0,1]=3 668 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,2,0,0,0,0|0,0,0]=2 669 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,2,0,0,0,0|0,0,0]=2 670 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,2,0,0,0,0|1,0,1]=4 671 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|1,0,1]=4 672 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,2,0,0,0,0|1,0,1]=4 673 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|1,0,0]=3 674 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,2,0,0,0,0|0,0,2]=4 675 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,2,0,0,0,0|0,0,2]=4 676 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,2,0,0,0,0|0,0,1]=3 677 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,2,0,0,0,0|0,0,0]=2 679 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,2,0,0,0,0|1,0,1]=4 680 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,2,0,0,0,0|1,0,1]=4 681 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,2,0,0,0,0|1,0,1]=4 682 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,2,0,0,0,0|0,0,1]=3 683 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,2,0,0,0,0|0,0,1]=3 684 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,2,0,0,0,0|0,0,1]=3 685 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,2,0,0,0,0|1,0,1]=4 687 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,2,0,0,0,0|1,0,1]=4 688 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,2,0,0,0,0|0,0,1]=3 691 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,2,0,0,0,0|0,0,2]=4 692 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,2,0,0,0,0|0,0,2]=4 693 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,2,0,0,0,0|0,1,0]=3 694 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,2,0,0,0,0|0,0,2]=4 695 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,2,0,0,0,0|0,0,1]=3 696 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,2,0,0,0,0|0,0,1]=3 697 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,2,0,0,0,0|0,0,0]=2 698 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,2,0,0,0,0|1,0,0]=3 699 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,2,0,0,0,0|1,0,0]=3 701 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,2,0,0,0,0|1,0,0]=3 703 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,2,0,0,0,0|0,0,1]=3 704 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,2,0,0,0,0|0,0,1]=3 705 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,2,0,0,0,0|1,0,1]=4 710 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,2,0,0,0,0|1,0,1]=4 711 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,2,0,0,0,0|1,0,1]=4 712 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,2,0,0,0,0|1,0,1]=4 713 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,2,0,0,0,0|1,0,1]=4 714 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,2,0,0,0,0|1,0,1]=4 716 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,2,0,0,0,0|1,0,1]=4 717 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,2,0,0,0,0|1,0,1]=4 718 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,2,0,0,0,0|1,0,1]=4 720 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,2,0,0,0,0|1,0,1]=4 721 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,2,0,0,0,0|1,0,1]=4 722 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,2,0,0,0,0|1,0,1]=4 723 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,2,0,0,0,0|1,0,1]=4 724 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,2,0,0,0,0|1,0,1]=4 725 B6R0.3 OC(CCl)C(Cl)Cl CNP0323730.0 [0,2,0,0,0,0|2,0,0]=4 726 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,2,0,0,0,0|0,0,2]=4 727 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,2,0,0,0,0|2,0,0]=4 728 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,2,0,0,0,0|0,0,2]=4 730 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,2,0,0,0,0|1,0,1]=4 731 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,2,0,0,0,0|0,0,1]=3 732 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,2,0,0,0,0|1,0,1]=4 733 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,2,0,0,0,0|0,0,2]=4 735 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,2,0,0,0,0|0,0,0]=2 736 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,2,0,0,0,0|0,0,0]=2 737 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,2,0,0,0,0|0,0,1]=3 739 B6R0.4 CC(C)CCCO CNP0344466.0 [0,2,0,0,0,0|0,0,0]=2 740 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,2,0,0,0,0|0,1,0]=3 741 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,2,0,0,0,0|0,0,1]=3 742 B6R0.4 CC(C)COC=O CNP0232692.0 [0,2,0,0,0,0|0,0,0]=2 743 B6R0.4 CC(C)CON=O CNP0224607.0 [0,2,0,0,0,0|0,0,0]=2 744 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,2,0,0,0,0|0,1,0]=3 745 B6R0.4 CC(C)NCCN CNP0082470.0 [0,2,0,0,0,0|1,0,0]=3 746 B6R0.4 CC(C)NCCO CNP0141461.0 [0,2,0,0,0,0|0,0,0]=2 747 B6R0.4 CC(C)OCCO CNP0079907.0 [0,2,0,0,0,0|0,0,0]=2 748 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,2,0,0,0,0|1,0,0]=3 749 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.4 CCCCC(C)C CNP0312749.0 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,2,0,0,0,0|2,0,0]=4 752 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.4 CCCSC(C)C CNP0228244.0 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.4 CCCSC(C)S CNP0609747.0 [0,2,0,0,0,0|2,0,0]=4 755 B6R0.4 CCNCC(C)C CNP0165310.0 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.4 CCSCC(C)C CNP0208462.0 [0,2,0,0,0,0|0,1,0]=3 758 B6R0.4 CCSSC(C)C CNP0003135.0 [0,2,0,0,0,0|1,0,0]=3 759 B6R0.4 CNCCC(C)C CNP0254439.0 [0,2,0,0,0,0|1,0,0]=3 760 B6R0.4 COCC=C(C)C CNP0493784.0 [0,2,0,0,0,0|0,0,1]=3 761 B6R0.4 COCCC(C)C CNP0316382.0 [0,2,0,0,0,0|0,0,0]=2 762 B6R0.4 COCCN(C)C CNP0429553.0 [0,2,0,0,0,0|1,0,0]=3 763 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,2,0,0,0,0|1,1,0]=4 764 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,2,0,0,0,0|1,0,1]=4 765 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [0,2,0,0,0,0|0,0,2]=4 769 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,2,0,0,0,0|0,0,0]=2 771 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,2,0,0,0,0|1,0,1]=4 772 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,2,0,0,0,0|1,0,0]=3 773 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,2,0,0,0,0|1,0,0]=3 774 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,2,0,0,0,0|1,0,0]=3 776 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,2,0,0,0,0|1,0,0]=3 778 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,2,0,0,0,0|1,0,1]=4 780 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,2,0,0,0,0|1,0,0]=3 781 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,2,0,0,0,0|1,0,0]=3 782 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,2,0,0,0,0|1,1,0]=4 783 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,2,0,0,0,0|1,0,0]=3 784 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,2,0,0,0,0|1,0,0]=3 785 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,2,0,0,0,0|1,0,0]=3 786 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,2,0,0,0,0|1,0,1]=4 787 B6R0.8 CC(C)(OO)OO CNP0338983.0 [0,2,0,0,0,0|1,0,0]=3 788 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,2,0,0,0,0|0,0,0]=2 789 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,2,0,0,0,0|1,0,0]=3 791 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,2,0,0,0,0|1,0,0]=3 792 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,2,0,0,0,0|0,0,0]=2 793 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,2,0,0,0,0|1,0,1]=4 794 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,2,0,0,0,0|1,0,1]=4 795 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,2,0,0,0,0|1,0,0]=3 796 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,2,0,0,0,0|0,0,2]=4 797 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,2,0,0,0,0|2,0,0]=4 798 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,2,0,0,0,0|1,0,1]=4 799 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,2,0,0,0,0|1,0,1]=4 800 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,2,0,0,0,0|1,0,1]=4 801 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,2,0,0,0,0|0,0,1]=3 802 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,2,0,0,0,0|1,0,1]=4 803 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,2,0,0,0,0|0,0,2]=4 804 B6R0.9 CCC(CC)CC CNP0205695.0 [0,2,0,0,0,0|1,0,0]=3 805 B6R0.9 CCC(CC)SC CNP0410895.0 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.9 CCC(OC)OC CNP0171881.0 [0,2,0,0,0,0|1,0,0]=3 807 B6R0.9 CCN(CC)CC CNP0209343.0 [0,2,0,0,0,0|2,0,0]=4 808 B6R0.9 CCP(CC)CC CNP0368013.0 [0,2,0,0,0,0|2,0,0]=4 809 B6R0.9 COC(CO)CO CNP0242404.0 [0,2,0,0,0,0|0,0,0]=2 810 B6R0.9 OCC(=NO)CO CNP0288617.0 [0,2,0,0,0,0|1,0,1]=4 811 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,2,0,0,0,0|0,0,2]=4 812 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,2,0,0,0,0|0,0,2]=4 813 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,2,0,0,0,0|0,0,2]=4 814 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,2,0,0,0,0|0,0,1]=3 815 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [0,2,0,0,0,0|1,0,1]=4 816 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,2,0,0,0,0|0,0,1]=3 817 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,2,0,0,0,0|0,0,1]=3 818 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,2,0,0,0,0|1,0,0]=3 819 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,2,0,0,0,0|0,0,0]=2 820 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [0,2,0,0,0,0|2,0,0]=4 821 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [0,2,0,0,0,0|2,0,0]=4 822 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [0,2,0,0,0,0|2,0,0]=4 823 B6R0.7 OC(O)C(Br)(Br)Br CNP0331626.0 [0,2,0,0,0,0|2,0,0]=4 824 B6R0.7 OC(O)C(Cl)(Cl)Cl CNP0415716.0 [0,2,0,0,0,0|2,0,0]=4 825 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,1,0,0|0,0,2]=4 826 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,1,0,0|1,0,0]=3 827 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,1,0,0|0,1,0]=3 828 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|1,0,1]=4 829 B4R1.2 CC1CC1 CNP0597751.0 [1,0,0,1,0,0|1,0,0]=3 830 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|1,0,0]=3 831 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|0,0,0]=2 832 B4R1.2 CC1CS1 CNP0482664.0 [1,0,0,1,0,0|0,1,0]=3 833 B4R1.2 C[C@H]1CS1 CNP0482664.1 [1,0,0,1,0,0|0,1,0]=3 834 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|1,0,0]=3 835 B4R1.2 OC1OO1 CNP0541068.0 [1,0,0,1,0,0|2,0,0]=4 836 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,1,0,0|1,0,1]=4 837 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,1,0,0|0,0,1]=3 838 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,1,0,0|0,0,2]=4 839 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,1,0,1,0,0|0,1,1]=4 840 B6R1.2 CC1C=COC1 CNP0165220.0 [0,1,0,1,0,0|0,0,1]=3 841 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,1,0,1,0,0|1,0,1]=4 842 B6R1.2 CC1CCCC1 CNP0194612.0 [0,1,0,1,0,0|1,0,0]=3 843 B6R1.2 CC1CCCO1 CNP0502439.0 [0,1,0,1,0,0|1,0,0]=3 844 B6R1.2 CC1OCCO1 CNP0611683.0 [0,1,0,1,0,0|2,0,0]=4 845 B6R1.2 CC1SCCS1 CNP0002932.0 [0,1,0,1,0,0|2,0,0]=4 846 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,1,0,1,0,0|2,0,0]=4 847 B6R1.2 CN1CCCC1 CNP0395436.0 [0,1,0,1,0,0|2,0,0]=4 848 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,1,0,1,0,0|1,0,1]=4 849 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,1,0,1,0,0|1,0,0]=3 850 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,1,0,1,0,0|0,1,0]=3 851 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,1,0,1,0,0|2,0,0]=4 852 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,1,0,1,0,0|2,0,0]=4 853 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|1,0,1]=4 854 B6R1.2 OC1CCCC1 CNP0085994.0 [0,1,0,1,0,0|2,0,0]=4 855 B6R1.2 OC1CSSC1 CNP0317557.0 [0,1,0,1,0,0|1,1,0]=4 856 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,1,0,1,0,0|1,0,0]=3 857 B6R1.2 SC1CCCC1 CNP0280825.0 [0,1,0,1,0,0|2,0,0]=4 858 B6R1.2 SC1CCCS1 CNP0002503.0 [0,1,0,1,0,0|2,0,0]=4 859 B6R1.3 CCCC1CC1 CNP0506060.0 [0,1,0,1,0,0|1,0,0]=3 860 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [0,1,0,1,0,0|2,0,0]=4 861 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [0,1,0,1,0,0|2,0,0]=4 862 B6R1.3 NCCN1CC1 CNP0522628.0 [0,1,0,1,0,0|2,0,0]=4 863 B6R1.3 S=C=NC1CC1 CNP0158262.0 [0,1,0,1,0,0|0,1,1]=4 864 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,1,0,0|0,0,2]=4 865 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,1,0,0|1,0,1]=4 866 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,1,0,1,0,0|1,0,0]=3 867 B6R1.8 O=C1CC1CO CNP0073765.0 [0,1,0,1,0,0|0,0,1]=3 868 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,1,0,1,0,0|1,0,0]=3 869 B6R1.9 ClC1OC1(Cl)Cl CNP0339973.0 [0,1,0,1,0,0|2,0,0]=4 870 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,1,0,0|0,0,0]=2 871 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,1,0,0|0,1,0]=3 872 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,1,0,0|0,0,2]=4 873 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,1,0,0|0,1,0]=3 874 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,1,0,1,0,0|0,0,1]=3 875 B6R2.4 O1O[C@@H]2[C@H]1O2 CNP0528839.1 [0,0,0,2,0,0|2,0,0]=4