0 B4R0.3 CC(C)(C)C CNP0568936.0 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.3 CC(C)(C)O CNP0541010.0 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.3 CC(C)(N)N CNP0611679.0 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.3 CC(Cl)(Cl)Cl CNP0581486.0 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.3 CP(=O)(O)O CNP0605019.0 [0,0,0,0,0,0|2,1,1]=4 5 B4R0.3 CS(=O)(=O)C CNP0605129.0 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.3 CS(=O)(=O)Cl CNP0595350.0 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.3 CS(=O)(=O)O CNP0491438.0 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.3 CS(=O)(=O)S CNP0506131.0 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.3 CS(=S)(C)O CNP0608926.0 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.3 C[As+](C)(C)C CNP0594598.0 [0,0,0,0,0,0|1,1,0]=2 11 B4R0.3 C[As](=O)(C)O CNP0492406.0 [0,0,0,0,0,0|1,1,1]=3 12 B4R0.3 C[As](=O)(O)O CNP0536186.0 [0,0,0,0,0,0|2,1,1]=4 13 B4R0.3 C[N+](C)(C)C CNP0519180.0 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.3 C[N+](C)(C)C CNP0559650.0 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.3 C[N+](C)(C)O CNP0585867.0 [0,0,0,0,0,0|0,0,1]=1 16 B4R0.3 C[N+](C)(C)[O-] CNP0598895.0 [0,0,0,0,0,0|0,0,0]=0 17 B4R0.3 C[Si](C)(C)Cl CNP0530881.0 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.3 C[Si](C)(C)O CNP0575582.0 [0,0,0,0,0,0|1,0,1]=2 19 B4R0.3 C[Si](C)(O)O CNP0563438.0 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.3 [O-][Cl+3]([O-])([O-])O CNP0573575.0 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 C=C(C)C CNP0512482.0 [1,0,0,0,0,0|1,0,1]=3 22 B3R0.2 C=C(C)O CNP0514997.0 [1,0,0,0,0,0|1,0,2]=4 23 B3R0.2 CC(=N)S CNP0537692.0 [1,0,0,0,0,0|2,1,0]=4 24 B3R0.2 CC(=O)C CNP0572494.0 [1,0,0,0,0,0|1,0,1]=3 25 B3R0.2 CC(=O)Cl CNP0537278.0 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.2 CC(=O)N CNP0570171.0 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.2 CC(=O)O CNP0495539.0 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 CC(=O)[O-] CNP0505268.0 [1,0,0,0,0,0|2,0,0]=3 29 B3R0.2 CC(=S)N CNP0579768.0 [1,0,0,0,0,0|2,1,0]=4 30 B3R0.2 CC(C)C CNP0580677.0 [1,0,0,0,0,0|1,0,0]=2 31 B3R0.2 CC(C)I CNP0515098.0 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.2 CC(C)N CNP0574231.0 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.2 CC(C)O CNP0603430.0 [1,0,0,0,0,0|1,0,1]=3 34 B3R0.2 CC(C)S CNP0483016.0 [1,0,0,0,0,0|1,1,0]=3 35 B3R0.2 CN(C)C CNP0522907.0 [1,0,0,0,0,0|0,0,1]=2 36 B3R0.2 CN(C)N CNP0573264.0 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.2 CP(=O)O CNP0480086.0 [1,0,0,0,0,0|1,1,1]=4 38 B3R0.2 CP(C)C CNP0586622.0 [1,0,0,0,0,0|0,1,0]=2 39 B3R0.2 CS(=S)O CNP0609306.0 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.2 C[As](C)C CNP0539997.0 [1,0,0,0,0,0|0,1,0]=2 41 B3R0.2 C[As](C)O CNP0541907.0 [1,0,0,0,0,0|0,1,1]=3 42 B3R0.2 C[As](O)O CNP0579708.0 [1,0,0,0,0,0|1,1,1]=4 43 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.2 C[S+](C)C CNP0555694.0 [1,0,0,0,0,0|1,0,0]=2 45 B3R0.2 C[S+](C)[O-] CNP0499675.0 [1,0,0,0,0,0|1,0,0]=2 46 B3R0.2 C[Se+](C)C CNP0504179.0 [1,0,0,0,0,0|1,0,0]=2 47 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [1,0,0,0,0,0|1,1,0]=3 48 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [1,0,0,0,0,0|1,1,0]=3 49 B3R0.2 C[Se](=O)O CNP0501647.0 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.2 O=[N+]([O-])O CNP0534371.0 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.2 [CH2]C(C)C CNP0571096.0 [1,0,0,0,0,0|1,0,1]=3 52 B3R0.2 [O-][Br+2]([O-])O CNP0595435.0 [1,0,0,0,0,0|3,0,0]=4 53 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [1,0,0,0,0,0|3,0,0]=4 54 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.4 C#CC(C)(C)O CNP0277501.0 [0,1,0,0,0,0|1,0,2]=4 56 B5R0.4 C=CC(C)(C)O CNP0337361.0 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [0,1,0,0,0,0|1,0,0]=2 59 B5R0.4 CC(C)(C)C=O CNP0320383.0 [0,1,0,0,0,0|1,0,1]=3 60 B5R0.4 CC(C)(C)N=O CNP0030824.0 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.4 CC(C)(C)OO CNP0609042.0 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.4 CC(C)(O)C#N CNP0157587.0 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.4 CC(C)(O)C=O CNP0300882.0 [0,1,0,0,0,0|1,0,2]=4 64 B5R0.4 CC(C)(O)CN CNP0332905.0 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.4 CC(C)(S)CS CNP0258725.0 [0,1,0,0,0,0|1,1,0]=3 67 B5R0.4 CCC(C)(C)C CNP0113159.0 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.4 CCC(C)(C)I CNP0076730.0 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.4 CCC(C)(C)N CNP0083061.0 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.4 CCC(C)(C)O CNP0239239.0 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.4 COC(C)(C)C CNP0379426.0 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.4 COS(=O)(=O)C CNP0336702.0 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,1,0,0,0,0|0,1,1]=3 75 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,1,0,0,0,0|0,1,1]=3 76 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.6 C[As](C)(C)(C)Br CNP0416858.0 [0,1,0,0,0,0|1,1,0]=3 78 B5R1.5 CC1(CO1)C CNP0494243.0 [0,0,0,1,0,0|1,0,1]=3 79 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|1,0,1]=4 80 B2R0.1 C=C[O] CNP0584213.0 [2,0,0,0,0,0|1,0,1]=4 81 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|2,0,0]=4 82 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|1,0,1]=4 83 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|2,0,0]=4 84 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|1,0,0]=3 85 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|2,0,0]=4 86 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|2,0,0]=4 87 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|2,0,0]=4 88 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|1,0,1]=4 89 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|1,1,0]=4 90 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|1,0,1]=4 91 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|0,0,1]=3 92 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|1,0,1]=4 93 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|1,0,0]=3 94 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|2,0,0]=4 95 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|0,1,0]=3 96 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|1,0,0]=3 97 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|1,1,0]=4 98 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|1,0,1]=4 99 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|1,0,1]=4 100 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|1,0,0]=3 101 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|1,0,0]=3 102 B2R0.1 N#[N+][O-] CNP0537011.0 [2,0,0,0,0,0|1,0,1]=4 103 B2R0.1 O=[O+][O-] CNP0518683.0 [2,0,0,0,0,0|2,0,0]=4 104 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|0,0,2]=4 105 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|1,0,1]=4 106 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|1,0,1]=4 107 B2R0.1 [O-][Cl+]O CNP0497237.0 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 C#CC(C)C CNP0586699.0 [1,1,0,0,0,0|1,0,1]=4 109 B4R0.1 C=C(C)CC CNP0605035.0 [1,1,0,0,0,0|1,0,1]=4 110 B4R0.1 C=C(C)CO CNP0505353.0 [1,1,0,0,0,0|1,0,1]=4 111 B4R0.1 C=CC(C)C CNP0589769.0 [1,1,0,0,0,0|1,0,1]=4 112 B4R0.1 CC(=NO)C CNP0591673.0 [1,1,0,0,0,0|1,0,1]=4 113 B4R0.1 CC(=O)CBr CNP0602861.0 [1,1,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(=O)CI CNP0515381.0 [1,1,0,0,0,0|1,0,1]=4 115 B4R0.1 CC(=O)CN CNP0602829.0 [1,1,0,0,0,0|1,0,1]=4 116 B4R0.1 CC(=O)CO CNP0487266.0 [1,1,0,0,0,0|1,0,1]=4 117 B4R0.1 CC(=O)CS CNP0514893.0 [1,1,0,0,0,0|1,0,1]=4 118 B4R0.1 CC(C)C=O CNP0511471.0 [1,1,0,0,0,0|1,0,1]=4 119 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,1,0,0,0,0|1,0,1]=4 120 B4R0.1 CC(C)CN CNP0490050.0 [1,1,0,0,0,0|1,0,0]=3 121 B4R0.1 CC(C)CO CNP0493868.0 [1,1,0,0,0,0|1,0,0]=3 122 B4R0.1 CC(C)CS CNP0494383.0 [1,1,0,0,0,0|1,0,0]=3 123 B4R0.1 CC(N)CN CNP0579261.0 [1,1,0,0,0,0|2,0,0]=4 124 B4R0.1 CC(S)CS CNP0488983.0 [1,1,0,0,0,0|1,1,0]=4 125 B4R0.1 CC=C(C)C CNP0502707.0 [1,1,0,0,0,0|1,0,0]=3 126 B4R0.1 CCC(=O)C CNP0486447.0 [1,1,0,0,0,0|1,0,1]=4 127 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,1,0,0,0,0|2,0,0]=4 128 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,1,0,0,0,0|2,0,0]=4 129 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,1,0,0,0,0|2,0,0]=4 130 B4R0.1 CCC(C)C CNP0492867.0 [1,1,0,0,0,0|1,0,0]=3 131 B4R0.1 CCC(C)N CNP0520467.0 [1,1,0,0,0,0|2,0,0]=4 132 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,1,0,0,0,0|1,0,1]=4 133 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,1,0,0,0,0|1,1,0]=4 134 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,1,0,0,0,0|1,0,1]=4 135 B4R0.1 CN(C)C=O CNP0566193.0 [1,1,0,0,0,0|0,0,2]=4 136 B4R0.1 CN(C)C=S CNP0516551.0 [1,1,0,0,0,0|0,0,2]=4 137 B4R0.1 CN(C)N=O CNP0503536.0 [1,1,0,0,0,0|0,0,2]=4 138 B4R0.1 CNC(=O)C CNP0491397.0 [1,1,0,0,0,0|1,0,1]=4 139 B4R0.1 CNC(C)C CNP0489071.0 [1,1,0,0,0,0|1,0,0]=3 140 B4R0.1 COC(=O)C CNP0578880.0 [1,1,0,0,0,0|1,0,1]=4 141 B4R0.1 CSC(=O)C CNP0491622.0 [1,1,0,0,0,0|1,0,1]=4 142 B4R0.1 CSC(C)C CNP0486491.0 [1,1,0,0,0,0|1,0,0]=3 143 B4R0.1 CSC(C)S CNP0497634.0 [1,1,0,0,0,0|1,1,0]=4 144 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,1,0,0,0,0|1,0,0]=3 145 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,1,0,0,0,0|1,0,0]=3 146 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,1,0,0,0,0|2,0,0]=4 147 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,1,0,0,0,0|2,0,0]=4 148 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,1,0,0,0,0|1,0,1]=4 149 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,1,0,0,0,0|2,0,0]=4 150 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,1,0,0,0,0|1,0,1]=4 151 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,1,0,0,0,0|1,0,1]=4 152 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,1,0,0,0,0|1,0,1]=4 153 B4R0.1 C[C](C)C=O CNP0568847.0 [1,1,0,0,0,0|1,0,1]=4 154 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,2,0,0,0,0|1,0,1]=4 157 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,2,0,0,0,0|1,1,0]=4 158 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,2,0,0,0,0|2,0,0]=4 159 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,2,0,0,0,0|2,0,0]=4 160 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,2,0,0,0,0|1,0,0]=3 162 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,2,0,0,0,0|1,1,0]=4 164 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,2,0,0,0,0|0,1,1]=4 165 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,2,0,0,0,0|0,1,1]=4 166 B6R0.5 C[N+](C)(C)C=C[O-] CNP0493805.0 [0,2,0,0,0,0|0,0,0]=2 167 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,2,0,0,0,0|0,0,1]=3 168 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,2,0,0,0,0|0,0,1]=3 169 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,2,0,0,0,0|0,0,1]=3 170 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,2,0,0,0,0|0,1,0]=3 171 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,2,0,0,0,0|0,0,1]=3 172 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,2,0,0,0,0|0,0,1]=3 173 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,2,0,0,0,0|1,0,1]=4 174 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,2,0,0,0,0|1,0,1]=4 177 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,2,0,0,0,0|1,0,1]=4 178 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,2,0,0,0,0|2,0,0]=4 180 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,2,0,0,0,0|1,0,1]=4 181 B6R0.7 CN(C)P(=O)(C)C CNP0415109.0 [0,2,0,0,0,0|0,1,1]=4 182 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,2,0,0,0,0|2,0,0]=4 183 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,2,0,0,0,0|2,0,0]=4 184 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,2,0,0,0,0|1,1,0]=4 185 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,2,0,0,0,0|1,0,1]=4 186 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,2,0,0,0,0|0,1,1]=4 188 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,2,0,0,0,0|1,1,0]=4 190 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|1,0,1]=4 191 B4R1.2 CC1CC1 CNP0597751.0 [1,0,0,1,0,0|1,0,0]=3 192 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|2,0,0]=4 193 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|1,0,1]=4 194 B4R1.2 CC1CS1 CNP0482664.0 [1,0,0,1,0,0|1,1,0]=4 195 B4R1.2 C[C@H]1CS1 CNP0482664.1 [1,0,0,1,0,0|1,1,0]=4 196 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|2,0,0]=4 197 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,1,0,1,0,0|2,0,0]=4 198 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,1,0,0|1,0,1]=4 199 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,1,0,0|1,1,0]=4