0 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=C(C)CCO CNP0285127.0 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.1 C=C(O)CCC CNP0003382.0 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 C=CCC(C)C CNP0293683.0 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.1 C=COC(=O)C CNP0003526.0 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C=COC(C)C CNP0491165.0 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,0,0,0,0|0,0,0]=0 13 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,0,0,0,0|0,1,0]=1 14 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 CC(=O)CCO CNP0251527.0 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,0,0,0,0|1,1,1]=3 17 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.1 CC(C)C=CO CNP0546358.0 [0,0,0,0,0,0|0,0,2]=2 19 B5R0.1 CC(C)C=NO CNP0180575.0 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.1 CC(C)CC#N CNP0003467.0 [0,0,0,0,0,0|1,0,3]=4 21 B5R0.1 CC(C)CC=O CNP0200023.0 [0,0,0,0,0,0|0,0,4]=4 22 B5R0.1 CC(C)CCN CNP0107663.0 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.1 CC(C)CCO CNP0115711.0 [0,0,0,0,0,0|0,0,2]=2 24 B5R0.1 CC(C)CCS CNP0222694.0 [0,0,0,0,0,0|0,1,2]=3 25 B5R0.1 CC(C)CNO CNP0343206.0 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,0,0,0,0,0|1,0,3]=4 27 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,0,0,0,0,0|1,1,2]=4 28 B5R0.1 CC(C)OC=O CNP0079775.0 [0,0,0,0,0,0|1,0,3]=4 29 B5R0.1 CC(C)ON=N CNP0504626.0 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CC(O)CCS CNP0002409.0 [0,0,0,0,0,0|1,1,2]=4 31 B5R0.1 CC(S)CCS CNP0003105.0 [0,0,0,0,0,0|1,1,2]=4 32 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CC=CC(C)C CNP0513218.0 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.1 CC=CC(C)O CNP0150168.0 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 CCCC(=O)N CNP0115101.0 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 CCCC(=O)O CNP0259447.0 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CCCC(C)C CNP0319065.0 [0,0,0,0,0,0|1,0,2]=3 48 B5R0.1 CCCC(C)S CNP0029638.0 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.1 CCNC(=S)N CNP0415621.0 [0,0,0,0,0,0|4,0,0]=4 53 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.1 CCOC(=O)N CNP0336700.0 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.1 CCOC(=O)O CNP0166515.0 [0,0,0,0,0,0|4,0,0]=4 56 B5R0.1 CCOC(C)C CNP0604172.0 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 CCSC(=N)N CNP0528738.0 [0,0,0,0,0,0|4,0,0]=4 59 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 CCSC(C)C CNP0254931.0 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.1 CCSC(C)S CNP0579398.0 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.1 CN(C)CC#N CNP0084986.0 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 CN(C)CCCl CNP0328789.0 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 CN(C)CCO CNP0230038.0 [0,0,0,0,0,0|1,0,1]=2 66 B5R0.1 CN=CC(C)C CNP0149349.0 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CNCC(C)C CNP0273998.0 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 COCC(C)C CNP0528468.0 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 CSCC(C)C CNP0405087.0 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 CSSC(C)C CNP0267830.0 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,0,0,0,0,0|1,0,2]=3 74 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,0,0,0,0,0|1,0,2]=3 75 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 NCCC(=O)O CNP0226336.0 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.1 NCNC(=O)N CNP0046326.0 [0,0,0,0,0,0|4,0,0]=4 79 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,0,0,0,0,0|3,0,0]=3 83 B5R0.1 O=C(O)CCO CNP0228379.0 [0,0,0,0,0,0|2,0,1]=3 84 B5R0.1 O=C(O)CCS CNP0097385.0 [0,0,0,0,0,0|2,1,1]=4 85 B5R0.1 O=C(O)CNO CNP0316873.0 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,0,0,0,0,0|3,0,1]=4 88 B4R0.1 C#CC(=C)C CNP0599820.0 [1,0,0,0,0,0|0,0,3]=4 89 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|0,0,3]=4 90 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 C=C(C)C#N CNP0560504.0 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|0,0,2]=3 93 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|0,0,2]=3 94 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|0,0,1]=2 95 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|0,0,2]=3 97 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|0,0,2]=3 104 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|1,0,2]=4 105 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|1,1,0]=3 114 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|0,0,2]=3 120 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|0,0,2]=3 121 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|0,0,1]=2 123 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|0,1,1]=3 124 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|1,1,1]=4 127 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|0,0,0]=1 128 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|0,0,2]=3 139 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,2]=4 141 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,0,2]=4 142 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|1,1,0]=3 145 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|2,1,0]=4 148 B4R0.1 CN=C(N)N CNP0588415.0 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.1 CNC(=N)N CNP0590894.0 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.1 CNC(=S)N CNP0572685.0 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,1]=3 156 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|2,0,0]=3 160 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|3,0,0]=4 163 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|3,0,0]=4 164 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|1,0,1]=3 169 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|1,0,2]=4 170 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|1,0,1]=3 173 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|0,0,2]=3 174 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [1,0,0,0,0,0|3,0,0]=4 175 B4R0.1 N=C(N)NO CNP0496900.0 [1,0,0,0,0,0|3,0,0]=4 176 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|3,0,0]=4 181 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|3,0,0]=4 182 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|3,0,0]=4 187 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|3,0,0]=4 188 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|3,0,0]=4 189 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|2,1,0]=4 191 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.2 C#CC=CC CNP0541501.0 [1,0,0,0,0,0|1,0,1]=3 194 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|0,0,3]=4 195 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 196 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|1,0,1]=3 197 B4R0.2 C=CC=NO CNP0532391.0 [1,0,0,0,0,0|1,0,1]=3 198 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,2]=4 199 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|0,0,2]=3 201 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|1,0,2]=4 202 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|1,0,2]=4 205 B4R0.2 CC=CC#N CNP0588304.0 [1,0,0,0,0,0|1,0,1]=3 206 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|0,0,2]=3 207 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,0]=2 208 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|0,0,0]=1 209 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|0,1,0]=2 210 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|1,0,0]=2 212 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|0,0,3]=4 213 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|1,0,1]=3 214 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|1,0,2]=4 215 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|1,0,2]=4 217 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,2]=4 218 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,2]=4 219 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|0,0,2]=3 220 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|0,1,2]=4 221 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|1,0,2]=4 225 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|2,0,1]=4 226 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|3,0,0]=4 227 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|2,0,1]=4 228 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|2,0,1]=4 229 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|3,0,0]=4 230 B4R0.2 CN=CC=S CNP0547393.0 [1,0,0,0,0,0|1,1,1]=4 231 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,1]=4 232 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|1,0,1]=3 233 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,1]=4 234 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,1]=3 235 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|1,0,1]=3 237 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,0]=3 238 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,2]=4 240 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|1,0,2]=4 241 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,1]=3 242 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,0]=2 243 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,2]=4 244 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|1,0,2]=4 245 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|1,0,2]=4 246 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|0,0,2]=3 247 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,1,0,0,0,0|1,0,2]=4 248 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.1 CC(=CC#N)C#N CNP0182038.0 [0,1,0,0,0,0|1,0,2]=4 251 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|0,0,2]=3 252 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|0,0,0]=1 253 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,0,0,0,0|1,0,1]=3 255 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|1,0,0]=2 260 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|1,0,2]=4 268 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|1,0,2]=4 270 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|1,0,2]=4 271 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|3,0,0]=4 272 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|3,0,0]=4 274 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,0,0,0,0|3,0,0]=4 276 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|3,0,0]=4 279 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|0,0,2]=3 281 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|0,0,2]=3 282 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,1,0,0,0,0|2,0,0]=3 286 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|1,0,2]=4 287 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|1,0,2]=4 288 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.2 BrC(=CC(Br)Br)Br CNP0261201.0 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.2 BrC(=CC(Br)Br)I CNP0135498.0 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,1,0,0,0,0|0,0,2]=3 292 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,1,0,0,0,0|0,0,2]=3 293 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,1,0,0,0,0|0,0,1]=2 294 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,1,0,0,0,0|0,0,2]=3 297 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,1,0,0,0,0|0,0,2]=3 298 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,1,0,0,0,0|3,0,0]=4 304 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,1,0,0,0,0|3,0,0]=4 305 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,1,0,0,0,0|0,0,2]=3 308 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,1,0,0,0,0|1,0,2]=4 309 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,1,0,0,0,0|1,0,2]=4 315 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,0,0,0,0|0,0,3]=4 317 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,0,0,0,0|0,0,3]=4 318 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,0,0,0,0|1,0,2]=4 319 B6R0.2 ClC(Cl)C=C(Br)Br CNP0320277.0 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.2 Cl[C@@H](Br)C=C(Br)Br CNP0172086.1 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|1,0,2]=4 326 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|3,0,0]=4 328 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|1,0,2]=4 329 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,1,0,0,0,0|1,0,1]=3 330 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|3,0,0]=4 331 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|0,0,2]=3 336 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|0,0,2]=3 337 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|0,0,2]=3 338 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|0,0,2]=3 339 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|1,0,1]=3 340 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|3,0,0]=4 344 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|1,0,1]=3 345 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|1,0,2]=4 351 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|1,0,2]=4 353 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|1,0,2]=4 357 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.3 CN(C)C(=S)S[Na] CNP0002679.0 [0,1,0,0,0,0|3,0,0]=4 359 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,1,0,0,0,0|3,0,0]=4 360 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|3,0,0]=4 362 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|2,0,1]=4 363 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|2,0,1]=4 364 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|1,0,2]=4 366 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|1,0,2]=4 367 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|1,0,2]=4 368 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|1,0,2]=4 372 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|2,1,0]=4 378 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|2,1,0]=4 381 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,0,0,0,0|0,1,2]=4 382 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,1,0,0,0,0|3,0,0]=4 384 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,0,0,0,0|3,0,0]=4 385 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,0,0,0,0|0,0,1]=2 387 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|1,0,0]=2 388 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|0,0,0]=1 389 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,0,0,0,0|1,0,2]=4 390 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|1,0,1]=3 392 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|1,1,1]=4 393 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|2,0,1]=4 394 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|1,0,1]=3 396 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,1,0,0,0,0|0,0,3]=4 397 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,1,0,0,0,0|0,0,3]=4 398 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,1,0,0,0,0|1,0,1]=3 399 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,1,0,0,0,0|0,0,3]=4 401 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,0,0,0,0|0,0,2]=3 402 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,0,0,0,0|1,0,2]=4 403 B6R0.4 CC(C)NCCO CNP0141461.0 [0,1,0,0,0,0|0,0,2]=3 404 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,0,0,0,0|0,0,2]=3 405 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,1,0,0,0,0|1,0,1]=3 406 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|1,0,2]=4 407 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,0,0,0,0|2,0,0]=3 408 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|2,0,0]=3 410 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,0,0,0,0|1,0,2]=4 412 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|2,0,1]=4 414 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,0,0,0,0|1,0,2]=4 416 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,0,0,0,0|1,0,2]=4 417 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,0,0,0,0|1,0,2]=4 418 B6R0.4 CCSSC(C)C CNP0003135.0 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|1,0,2]=4 420 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,0,0,0,0|0,0,0]=1 421 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,0,0,0,0|0,0,2]=3 422 B6R0.4 COCCN(C)C CNP0429553.0 [0,1,0,0,0,0|1,0,1]=3 423 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,0,0,0,0|1,1,1]=4 424 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,0,0,0,0|2,1,0]=4 425 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,1,0,0,0,0|1,0,2]=4 426 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,1,0,0,0,0|2,0,0]=3 427 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,1,0,0,0,0|2,0,0]=3 428 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,1,0,0,0,0|2,0,0]=3 429 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,1,0,0,0,0|3,0,0]=4 431 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,1,0,0,0,0|2,0,0]=3 432 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,0,0,0,0|2,0,1]=4 433 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,0,0,0,0|2,0,1]=4 434 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,1,0,0,0,0|0,0,2]=3 435 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,1,0,0,0,0|1,0,2]=4 436 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,1,0,0,0,0|1,0,2]=4 437 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,1,0,0,0,0|1,0,2]=4 438 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,1,0,0,0,0|2,0,1]=4 440 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,1,0,0,0,0|2,0,1]=4 441 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,1,0,0,0,0|1,0,1]=3 442 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,1,0,0,0,0|1,0,1]=3 443 B6R0.5 C[N+](C)(C)C=C[O-] CNP0493805.0 [0,1,0,0,0,0|1,0,2]=4 444 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,1,0,0,0,0|1,0,1]=3 445 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,1,0,0,0,0|1,0,1]=3 446 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,1,0,0,0,0|1,1,1]=4 447 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,1,0,0,0,0|1,0,1]=3 448 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,1,0,0,0,0|1,0,1]=3 449 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,1,0,0,0,0|1,0,1]=3 450 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|1,0,2]=4 451 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|1,0,2]=4 452 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,1,0,0|2,0,1]=4 453 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,1,0,0|2,0,1]=4 454 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,1,0,0|2,0,1]=4 455 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|1,0,0]=2 456 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|2,0,0]=3 457 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|0,0,0]=1 458 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,1,0,0|1,1,0]=3 459 B6R1.2 CC1=CN=CN1 CNP0175437.0 [0,0,0,1,0,0|3,0,0]=4 460 B6R1.2 CC1=CN=CS1 CNP0003129.0 [0,0,0,1,0,0|3,0,0]=4 461 B6R1.2 CC1=CN=NS1 CNP0149602.0 [0,0,0,1,0,0|3,0,0]=4 462 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,1,0,0|1,0,2]=4 463 B6R1.2 CC1=CNC=N1 CNP0484047.0 [0,0,0,1,0,0|3,0,0]=4 464 B6R1.2 CC1=CNN=C1 CNP0179752.0 [0,0,0,1,0,0|2,0,1]=4 465 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,1,0,0|0,0,2]=3 466 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|0,0,2]=3 467 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,1,0,0|0,1,2]=4 468 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,0,0,1,0,0|3,0,0]=4 469 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,1,0,0|1,1,0]=3 470 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|3,0,0]=4 471 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,1,0,0|3,0,0]=4 472 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|1,1,0]=3 473 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|0,0,2]=3 474 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|1,0,2]=4 475 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|2,0,1]=4 476 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|2,0,1]=4 477 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|1,0,2]=4 478 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,1]=4 479 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|0,1,2]=4 480 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|2,0,0]=3 481 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|2,0,1]=4 482 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,1,0,0|2,0,1]=4 483 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|2,0,1]=4 484 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,1,0,0|3,0,0]=4 485 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|3,0,0]=4 486 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|3,0,0]=4 487 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|1,0,1]=3 488 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|2,0,1]=4 489 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|1,1,1]=4 490 B6R1.2 OC1=CON=C1 CNP0302207.0 [0,0,0,1,0,0|2,0,1]=4 491 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,1,0,0|3,0,0]=4 492 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|2,0,1]=4 493 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,1,0,0|3,0,0]=4 494 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,0,1,0,0|1,0,2]=4 495 B6R1.3 NCCN1CC1 CNP0522628.0 [0,0,0,1,0,0|2,0,1]=4 496 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,1,0,0|3,0,0]=4 497 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,1,0,0|2,0,0]=3 498 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|1,0,2]=4 499 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,0,0,1,0,0|1,0,1]=3 500 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|1,0,1]=3 501 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,0,0,1,0,0|1,0,2]=4 502 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,0,0,1,0,0|0,0,2]=3 503 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,0,0,1,0,0|0,1,2]=4 504 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 505 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,2]=4 506 B3R0.1 C=CC#N CNP0580732.0 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,2]=4 508 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,2]=4 509 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|0,1,1]=4 510 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|1,0,0]=3 511 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,0]=3 512 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,0]=2 513 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,1,0]=3 514 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,1]=4 515 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 516 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,0]=3 517 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,0]=2 518 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,0]=3 519 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,0]=3 520 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [2,0,0,0,0,0|2,0,0]=4 521 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,2]=4 522 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 523 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,1]=4 524 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,2]=4 525 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,1]=4 526 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,1]=4 527 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,1]=3 528 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,1]=4 529 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,1]=4 530 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,1]=4 532 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,1]=4 533 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,1]=4 534 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,1]=4 535 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 536 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,1]=4 537 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 538 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 539 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 540 B3R0.1 ClC=CCl CNP0610334.0 [2,0,0,0,0,0|2,0,0]=4 541 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|2,0,0]=4 542 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|1,1,0]=4 543 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|2,0,0]=4 544 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,1]=4 545 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,1]=4 546 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|2,0,0]=4 547 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,0]=3 548 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,1,0]=4 549 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,0]=3 550 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,1]=4 551 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,1]=4 552 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,1]=4 553 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,1]=4 554 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,0]=2 555 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,1]=3 556 B3R0.2 C=C(Cl)Cl CNP0573882.0 [2,0,0,0,0,0|2,0,0]=4 557 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 558 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,1]=3 559 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,1]=4 560 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,1]=4 561 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|1,0,0]=3 562 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|1,0,1]=4 563 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,1,0]=4 564 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,1]=3 565 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,1]=4 566 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,1]=4 567 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,1]=3 568 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,1]=4 569 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,0]=3 570 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 571 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|2,0,0]=4 572 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,0]=3 573 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|2,0,0]=4 574 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,0]=3 575 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,0]=3 576 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|2,0,0]=4 577 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,0]=3 578 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 579 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,0]=3 580 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 581 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 582 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|2,0,0]=4 583 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|2,0,0]=4 584 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|2,0,0]=4 585 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|2,0,0]=4 586 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,2]=4 587 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,1,0,0,0,0|0,0,2]=4 588 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,1,0,0,0,0|0,0,1]=3 589 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|0,0,2]=4 592 B5R0.3 CC(=NO)CO CNP0284253.0 [1,1,0,0,0,0|1,0,0]=3 593 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|0,0,1]=3 594 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|0,0,1]=3 595 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|0,0,0]=2 596 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|0,0,0]=2 597 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|0,1,0]=3 598 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|1,0,0]=3 601 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|1,0,1]=4 602 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|0,0,2]=4 604 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|0,0,2]=4 605 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|1,0,1]=4 606 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|0,0,2]=4 607 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|0,0,1]=3 608 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|0,0,2]=4 609 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|0,0,2]=4 610 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|0,0,1]=3 611 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|0,0,2]=4 612 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,1,0,0,0,0|1,0,1]=4 613 B5R0.3 CC[S](C)CC CNP0523180.0 [1,1,0,0,0,0|1,0,1]=4 614 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.3 CNC(=N)NC CNP0404528.0 [1,1,0,0,0,0|2,0,0]=4 616 B5R0.3 CNC(=O)NC CNP0028412.0 [1,1,0,0,0,0|2,0,0]=4 617 B5R0.3 CNC(=O)OC CNP0483114.0 [1,1,0,0,0,0|2,0,0]=4 618 B5R0.3 COC(=O)CI CNP0017842.0 [1,1,0,0,0,0|2,0,0]=4 619 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|0,0,1]=3 620 B5R0.3 COC(C)OC CNP0122626.0 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.3 NC(CO)CO CNP0535001.0 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.3 NCC(=O)NO CNP0470573.0 [1,1,0,0,0,0|2,0,0]=4 624 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,1,0,0,0,0|2,0,0]=4 625 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,1,0,0,0,0|2,0,0]=4 626 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,1,0,0,0,0|2,0,0]=4 627 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,1,0,0,0,0|2,0,0]=4 628 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,1,0,0,0,0|2,0,0]=4 629 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,1,0,0,0,0|1,0,0]=3 630 B5R0.3 O=C(CO)CO CNP0303926.0 [1,1,0,0,0,0|1,0,0]=3 631 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,1,0,0,0,0|1,0,1]=4 632 B5R0.3 OCC(O)CCl CNP0334066.0 [1,1,0,0,0,0|1,0,1]=4 633 B5R0.3 OCC(O)CO CNP0259986.0 [1,1,0,0,0,0|1,0,1]=4 634 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,1,0,0,0,0|1,0,1]=4 635 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,1,0,0,0,0|1,0,1]=4 636 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,1,0,0,0,0|1,0,1]=4 637 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,1,0,0,0,0|1,0,1]=4 638 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,1,0,0,0,0|1,0,1]=4 639 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|0,0,2]=4 640 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [1,1,0,0,0,0|1,0,1]=4 641 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [1,1,0,0,0,0|1,0,1]=4 642 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|0,0,2]=4 643 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|0,0,2]=4 645 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,0,1]=4 646 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|0,0,1]=3 647 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|0,1,1]=4 648 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|0,0,2]=4 649 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|0,0,2]=4 650 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|0,0,2]=4 651 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|0,0,2]=4 652 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|0,1,1]=4 653 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|2,0,0]=4 655 B5R0.4 CP(=O)(C)CO CNP0140331.0 [1,1,0,0,0,0|1,0,0]=3 656 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,1,0,0,0,0|0,0,1]=3 657 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|0,0,1]=3 658 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,1,0,0,0,0|0,0,2]=4 659 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,1,0,0,0,0|0,0,2]=4 660 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|0,0,1]=3 661 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|0,0,1]=3 662 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|0,0,1]=3 663 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,1,0,0,0,0|1,0,1]=4 664 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,1,0,0,0,0|1,0,1]=4 665 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,1,0,0,0,0|1,0,1]=4 666 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|0,0,1]=3 667 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|0,0,0]=2 668 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,0]=2 669 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,1,0,0,0,0|1,0,0]=3 670 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|1,0,0]=3 671 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,1,0,0,0,0|1,0,1]=4 672 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,1,0,0,0,0|1,0,0]=3 673 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,1,0,0,0,0|2,0,0]=4 674 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,1]=3 675 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|1,0,1]=4 676 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|1,0,0]=3 677 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,0]=3 678 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|1,0,0]=3 679 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|1,0,0]=3 680 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|0,0,2]=4 681 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|0,0,2]=4 682 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|0,0,1]=3 683 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|0,0,2]=4 684 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|1,0,1]=4 685 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|0,0,2]=4 686 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|0,0,1]=3 687 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|0,0,2]=4 688 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|0,0,1]=3 689 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|2,0,0]=4 690 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|2,0,0]=4 691 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|2,0,0]=4 692 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|2,0,0]=4 693 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|2,0,0]=4 694 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|1,0,1]=4 695 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,1,0,0,0,0|2,0,0]=4 696 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,1,0,0,0,0|1,1,0]=4 697 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|1,0,1]=4 698 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|1,0,1]=4 699 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|1,0,1]=4 700 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|1,0,1]=4 701 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|1,0,1]=4 702 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|1,0,1]=4 703 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|1,0,1]=4 704 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|1,0,1]=4 705 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,1,0,0,0,0|2,0,0]=4 706 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|2,0,0]=4 707 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,1,0,0,0,0|2,0,0]=4 708 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|2,0,0]=4 709 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,1,0,0,0,0|2,0,0]=4 710 B5R0.2 C=CC=CCC CNP0495438.0 [1,1,0,0,0,0|1,0,1]=4 711 B5R0.2 C=CCC=CC CNP0292090.0 [1,1,0,0,0,0|1,0,0]=3 712 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|0,0,2]=4 713 B5R0.2 CC#CCCO CNP0515871.0 [1,1,0,0,0,0|0,0,2]=4 714 B5R0.2 CC=C=CCO CNP0426440.0 [1,1,0,0,0,0|0,0,0]=2 715 B5R0.2 CC=C=COC CNP0519318.0 [1,1,0,0,0,0|0,0,2]=4 716 B5R0.2 CC=CC=CC CNP0611428.0 [1,1,0,0,0,0|1,0,1]=4 717 B5R0.2 CC=CCC#N CNP0080085.0 [1,1,0,0,0,0|1,0,0]=3 718 B5R0.2 CC=CCC=O CNP0167409.0 [1,1,0,0,0,0|0,0,1]=3 719 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|1,0,0]=3 720 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|0,0,0]=2 721 B5R0.2 CC=CSSC CNP0214071.0 [1,1,0,0,0,0|1,1,0]=4 722 B5R0.2 CCC#CCO CNP0076027.0 [1,1,0,0,0,0|0,0,2]=4 723 B5R0.2 CCC=CC#N CNP0080058.0 [1,1,0,0,0,0|1,0,1]=4 724 B5R0.2 CCC=CC=O CNP0328747.0 [1,1,0,0,0,0|0,0,2]=4 725 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|0,0,0]=2 726 B5R0.2 CCC=CSC CNP0068372.0 [1,1,0,0,0,0|1,0,0]=3 727 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|1,0,0]=3 728 B5R0.2 CCC=NNC CNP0543863.0 [1,1,0,0,0,0|2,0,0]=4 729 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|0,0,2]=4 730 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|1,0,1]=4 731 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|0,0,2]=4 732 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|0,0,2]=4 733 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|0,0,2]=4 734 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|0,0,2]=4 735 B5R0.2 COC=COC CNP0416791.0 [1,1,0,0,0,0|1,0,1]=4 736 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|1,0,1]=4 737 B5R0.2 CSC=CSC CNP0075985.0 [1,1,0,0,0,0|2,0,0]=4 738 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|0,0,2]=4 739 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|0,0,2]=4 740 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|0,0,1]=3 741 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|0,0,0]=2 742 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|0,0,2]=4 743 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|0,0,2]=4 744 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|0,0,2]=4 745 B5R0.2 ON=CC=NO CNP0213631.0 [1,1,0,0,0,0|2,0,0]=4 746 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,2,0,0,0,0|2,0,0]=4 748 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,2,0,0,0,0|0,0,2]=4 749 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,2,0,0,0,0|0,0,2]=4 750 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|0,0,2]=4 752 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|0,0,1]=3 754 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,2,0,0,0,0|0,0,2]=4 759 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,2,0,0,0,0|0,0,1]=3 760 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|0,0,2]=4 764 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|0,0,0]=2 769 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|0,0,1]=3 772 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|0,0,1]=3 773 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|0,0,0]=2 774 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,2,0,0,0,0|0,0,2]=4 775 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|0,0,2]=4 777 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|2,0,0]=4 781 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|0,0,2]=4 785 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,2,0,0,0,0|0,0,2]=4 786 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|0,0,2]=4 788 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|0,0,2]=4 789 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|0,0,2]=4 791 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|0,0,2]=4 792 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.10 CC(=NO)C(=NO)C CNP0126463.0 [0,2,0,0,0,0|2,0,0]=4 794 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,2,0,0,0,0|1,0,0]=3 796 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|2,0,0]=4 797 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|2,0,0]=4 799 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|1,0,1]=4 800 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|0,0,2]=4 802 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|1,0,1]=4 804 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|1,0,1]=4 806 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|1,0,1]=4 807 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|1,0,1]=4 808 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [0,2,0,0,0,0|1,0,1]=4 809 B7R0.12 BrCC=C(CBr)CBr CNP0066459.0 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,2,0,0,0,0|0,0,1]=3 811 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,2,0,0,0,0|1,0,0]=3 812 B7R0.12 CCN(CC)CCO CNP0354017.0 [0,2,0,0,0,0|1,0,1]=4 813 B7R0.12 N#CC=C(CO)CO CNP0217977.0 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,2,0,0,0,0|0,0,2]=4 816 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,2,0,0,0,0|1,0,1]=4 817 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,2,0,0,0,0|0,0,2]=4 818 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,2,0,0,0,0|0,0,2]=4 819 B7R0.9 C[N+](C)(C)CC(O)O CNP0500510.0 [0,2,0,0,0,0|1,0,1]=4 820 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,2,0,0,0,0|2,0,0]=4 821 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,2,0,0,0,0|2,0,0]=4 822 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,2,0,0,0,0|0,0,1]=3 824 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,2,0,0,0,0|0,0,1]=3 825 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,2,0,0,0,0|2,0,0]=4 827 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|0,0,2]=4 828 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,2,0,0,0,0|1,0,1]=4 829 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,2,0,0,0,0|0,0,1]=3 830 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|2,0,0]=4 832 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|2,0,0]=4 833 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,2,0,0,0,0|0,0,0]=2 834 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,2,0,0,0,0|0,0,2]=4 835 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,2,0,0,0,0|0,0,2]=4 836 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,2,0,0,0,0|0,0,2]=4 837 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,2,0,0,0,0|2,0,0]=4 838 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,2,0,0,0,0|2,0,0]=4 839 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,2,0,0,0,0|0,0,0]=2 840 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,2,0,0,0,0|0,0,2]=4 842 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,2,0,0,0,0|0,0,0]=2 846 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,2,0,0,0,0|2,0,0]=4 848 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,2,0,0,0,0|1,0,1]=4 849 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,2,0,0,0,0|2,0,0]=4 850 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,2,0,0,0,0|0,0,2]=4 851 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|0,0,2]=4 852 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,2,0,0,0,0|0,0,2]=4 854 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,2,0,0,0,0|1,0,1]=4 856 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,2,0,0,0,0|1,0,1]=4 857 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,2,0,0,0,0|1,0,1]=4 858 B7R0.8 COCCC(C)(C)S CNP0210797.0 [0,2,0,0,0,0|0,0,2]=4 859 B7R0.8 CS(=O)(=O)C=CCO CNP0185981.0 [0,2,0,0,0,0|2,0,0]=4 860 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|0,0,2]=4 861 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|2,0,0]=4 862 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|0,0,0]=2 863 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|0,0,1]=3 864 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|1,0,1]=4 865 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|0,0,1]=3 866 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,1,0,0|1,0,1]=4 867 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,0]=3 868 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|0,0,0]=2 869 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|2,0,0]=4 870 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,1,0,0|0,0,2]=4 871 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,2]=4 872 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,1,0,0|1,0,1]=4 873 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|2,0,0]=4 874 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,1,0,0|1,1,0]=4 875 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|2,0,0]=4 876 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|2,0,0]=4 877 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|0,0,2]=4 878 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|1,0,1]=4 879 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,1,0,1,0,0|0,0,2]=4 881 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,1,0,1,0,0|0,0,2]=4 882 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,1,0,1,0,0|0,0,2]=4 883 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,1,0,1,0,0|1,0,1]=4 884 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|0,0,2]=4 885 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|0,0,2]=4 886 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|0,0,1]=3 887 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,1,0,0|0,1,1]=4 888 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,1,0,1,0,0|0,1,0]=3 889 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,1,0,1,0,0|0,0,2]=4 891 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,1,0,0|2,0,0]=4 892 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,1,0,0|1,1,0]=4 894 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,1,0,0|2,0,0]=4 895 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,1,0,1,0,0|1,0,1]=4 896 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|0,0,2]=4 897 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|0,0,2]=4 899 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,1,0,0|2,0,0]=4 903 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|2,0,0]=4 904 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|2,0,0]=4 905 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|1,0,1]=4 907 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|1,0,1]=4 908 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|1,0,1]=4 909 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|2,0,0]=4 911 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,1,0,0|1,0,0]=3 913 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|1,0,0]=3 914 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|0,0,2]=4 915 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,1,0,1,0,0|2,0,0]=4 918 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|0,0,2]=4 921 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,1,0,1,0,0|1,0,1]=4 922 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|1,0,1]=4 924 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,1,0,0|0,0,1]=3 926 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,1,0,1,0,0|0,1,1]=4 928 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|1,0,1]=4 929 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|0,0,1]=3 930 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,1,0,1,0,0|2,0,0]=4 931 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,1,0,1,0,0|2,0,0]=4 932 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,1]=3 933 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|2,0,0]=4 934 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|1,0,1]=4 935 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|1,0,1]=4 936 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|1,0,1]=4 937 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|1,0,1]=4 938 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|2,0,0]=4 939 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|1,0,1]=4 940 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|1,0,1]=4 941 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,2,0,0|0,0,2]=4 942 B7R2.1 C1CC1=C2CC2 CNP0470938.0 [0,0,0,2,0,0|1,0,0]=3