0 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,0,0|0,0,2]=2 17 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,0,0,0,0,0|2,1,1]=4 35 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,0,0|1,0,1]=2 38 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,0,0|1,0,1]=2 39 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,0,0|1,0,1]=2 40 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,0,0|1,0,1]=2 41 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,0,0|1,0,1]=2 42 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,0,0,0,0,0|2,1,1]=4 44 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,0,0,0,0,0|2,2,0]=4 46 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,0,0|0,0,0]=0 47 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,0,0|0,0,0]=0 50 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,0,0|1,0,0]=1 55 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,0,0,0,0,0|1,0,1]=2 57 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,0,0,0,0,0|1,0,0]=1 62 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,0,0,0,0,0|2,0,0]=2 70 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,0,0,0,0,0|2,0,0]=2 71 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,0,0,0,0,0|2,0,0]=2 72 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,0,0,0,0,0|2,0,1]=3 74 B4R0.1 C#CC(=O)N CNP0485881.0 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,0,0,0,0|0,0,2]=3 76 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|0,0,2]=3 88 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|0,0,3]=4 89 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,1,1]=4 110 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|0,0,0]=1 112 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|1,1,1]=4 114 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,1,0]=3 116 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,0,0]=2 119 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,0,0]=2 120 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,0,0]=2 121 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|0,0,0]=1 122 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|0,0,1]=2 123 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|0,0,1]=2 124 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|0,0,1]=2 125 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|0,0,2]=3 128 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|0,1,1]=3 129 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,1]=3 130 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,1,1]=4 131 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,1]=3 132 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|2,1,0]=4 134 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|1,0,0]=2 136 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|2,1,0]=4 137 B4R0.1 CN=C(N)N CNP0588415.0 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.1 CNC(=N)N CNP0590894.0 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|1,0,0]=2 142 B4R0.1 CNC(=S)N CNP0572685.0 [1,0,0,0,0,0|2,1,0]=4 143 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|1,2,0]=4 144 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,0,0,0,0|3,0,0]=4 148 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|2,0,0]=3 149 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|0,0,1]=2 153 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|1,0,0]=2 155 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|1,0,1]=3 156 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|0,0,1]=2 157 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|1,0,0]=2 158 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.1 N=C(N)NN CNP0538712.0 [1,0,0,0,0,0|3,0,0]=4 163 B4R0.1 N=C(N)NO CNP0496900.0 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|0,0,2]=3 165 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,0]=3 166 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,0]=3 167 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|1,0,0]=2 170 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|0,0,0]=1 171 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|0,0,1]=2 172 B4R0.1 NN=C(N)N CNP0609058.0 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.1 NNC(=S)N CNP0493193.0 [1,0,0,0,0,0|2,1,0]=4 174 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|1,0,0]=2 178 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|1,0,0]=2 179 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|1,0,0]=2 180 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|1,0,0]=2 181 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|1,0,0]=2 182 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|1,0,1]=3 183 B4R0.1 O=CC(Br)Br CNP0551465.0 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,1,0,0,0,0|0,0,1]=2 188 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|1,0,1]=3 191 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|0,0,2]=3 192 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,1,0,0,0,0|1,0,2]=4 193 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,0,0,0,0|0,0,2]=3 194 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,1,0,0,0,0|0,0,1]=2 197 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,1,0,0,0,0|0,0,1]=2 198 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|0,0,2]=3 200 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,1,1]=4 211 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|1,0,1]=3 216 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|0,0,1]=2 217 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|1,0,1]=3 219 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|3,0,0]=4 222 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|1,0,0]=2 232 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|1,0,2]=4 233 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|0,0,0]=1 235 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|0,0,0]=1 243 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,0,0,0,0|0,0,0]=1 249 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,0,0,0,0|0,0,0]=1 250 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,1,0,0,0,0|0,0,0]=1 256 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|1,0,0]=2 257 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,1,0,0,0,0|0,0,0]=1 259 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|1,0,0]=2 260 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|1,1,0]=3 261 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,0,0,0,0|1,0,0]=2 264 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|0,0,0]=1 265 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|1,0,2]=4 268 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|1,0,2]=4 271 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|0,0,0]=1 272 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|0,0,0]=1 274 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,1,0,0,0,0|1,0,0]=2 276 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|0,0,0]=1 278 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|1,0,0]=2 279 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|0,0,0]=1 280 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,1,0,0,0,0|0,0,1]=2 281 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|0,0,0]=1 282 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,0,0,0,0|0,0,0]=1 283 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,0,0,0,0|0,0,0]=1 284 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,0,0,0,0|0,0,0]=1 285 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,0,0,0,0|0,0,0]=1 286 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,0,0,0,0|0,0,0]=1 287 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|0,0,0]=1 288 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,0,0,0,0|0,0,0]=1 289 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,0,0,0,0|0,0,0]=1 290 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,1,0,0,0,0|3,0,0]=4 295 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,1,0,0,0,0|3,0,0]=4 297 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|1,0,1]=3 302 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,0,0,0,0|1,0,0]=2 304 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,0,0,0,0|1,0,0]=2 306 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,0,0,0,0|1,0,0]=2 307 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|1,0,0]=2 308 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|1,0,2]=4 309 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,0,0,0,0|1,0,1]=3 311 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,0,0,0,0|0,0,1]=2 312 B6R0.7 CC(=O)C(Br)(Br)Br CNP0017934.0 [0,1,0,0,0,0|3,0,0]=4 313 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.7 CC(=O)C(Cl)(Br)Br CNP0075118.0 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,1,0,0,0,0|1,0,0]=2 318 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,1,0,0,0,0|0,0,0]=1 320 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,1,0,0,0,0|1,0,0]=2 321 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [0,1,0,0,0,0|1,0,0]=2 323 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [0,1,0,0,0,0|1,0,0]=2 325 B6R0.7 NC(=O)C(Br)(Br)Br CNP0186208.0 [0,1,0,0,0,0|3,0,0]=4 326 B6R0.7 NC(=O)C(Cl)(Cl)Cl CNP0023989.0 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.7 O=C(O)C(Br)(Br)Br CNP0082210.0 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.7 O=C(O)C(Cl)(Cl)Cl CNP0083486.0 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.7 O=C(O)P(=O)(O)O CNP0366447.0 [0,1,0,0,0,0|3,0,0]=4 330 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|2,0,0]=3 331 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,0,1|2,0,1]=4 332 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,0,1|0,0,2]=3 333 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,0,1|1,0,2]=4 334 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,0,1|2,0,1]=4 335 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,0,1|2,0,1]=4 336 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,0,1|1,0,1]=3 337 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,0,1|1,0,1]=3 338 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,0,1|3,0,0]=4 339 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,0,1|2,0,1]=4 340 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,0,1|1,0,2]=4 341 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,0,1|2,0,1]=4 342 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,0,1|2,0,1]=4 343 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,0,1|2,0,1]=4 344 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,0,1|2,0,1]=4 345 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,0,1|1,0,1]=3 346 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,0,1|2,0,0]=3 347 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,0,1|2,0,0]=3 348 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,0,1|2,0,0]=3 349 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,0,0,0,1|2,0,1]=4 350 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,0,1|2,0,1]=4 351 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,0,1|2,0,1]=4 352 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,0,0,0,0,1|2,0,1]=4 353 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,0,1|2,0,1]=4 354 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,0,1|2,0,0]=3 355 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,0,1|2,0,1]=4 356 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,0,1|2,1,0]=4 357 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,0,0,0,0,1|3,0,0]=4 358 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,0,1|2,0,0]=3 359 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,0,0,0,1|2,0,1]=4 360 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,0,0,0,1|2,0,1]=4 361 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,0,1|2,0,0]=3 362 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,0,0,0,0,1|2,1,0]=4 363 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,0,0,0,0,1|3,0,0]=4 364 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,0,1|2,0,0]=3 365 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,0,1|3,0,0]=4 366 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,0,1|3,0,0]=4 367 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,0,1|2,0,0]=3 368 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,0,1|0,0,0]=1 369 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,0,1|1,0,0]=2 370 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,0,0,0,0,1|2,0,1]=4 371 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,0,1|0,0,0]=1 372 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,0,1|1,0,0]=2 373 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,0,1|1,0,0]=2 374 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,0,1|1,0,1]=3 375 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,0,1|2,0,0]=3 376 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,0,1|2,0,1]=4 377 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,0,0,0,0,1|2,0,1]=4 378 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,0,1|1,0,1]=3 379 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,0,0,0,0,1|1,0,1]=3 380 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,0,0,0,0,1|2,0,1]=4 381 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,0,0,0,0,1|2,0,1]=4 382 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,0,0,0,0,1|2,0,1]=4 383 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,0,1|2,0,1]=4 384 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 385 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|1,0,1]=4 386 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,2]=4 388 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|1,0,0]=3 389 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,0]=3 390 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|2,0,0]=4 391 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|2,0,0]=4 392 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|2,0,0]=4 393 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,1]=4 394 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|1,0,1]=4 395 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,1]=4 396 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 398 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,0]=2 399 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,0]=3 400 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,1]=4 401 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,1]=3 405 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,1]=4 406 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,0]=3 407 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|2,0,0]=4 408 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,0]=3 410 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|2,0,0]=4 411 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,0]=3 412 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 414 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|1,0,0]=3 416 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|0,1,1]=4 417 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|0,0,0]=2 418 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|1,0,1]=4 419 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|0,0,1]=3 420 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|0,1,1]=4 421 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|0,0,2]=4 422 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|1,0,0]=3 423 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,1]=4 424 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,0]=3 425 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,0]=3 426 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,0]=3 427 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,1]=4 428 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,1]=4 429 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|1,0,1]=4 433 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|1,0,0]=3 434 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 435 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|1,0,0]=3 436 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,0]=3 437 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|0,0,1]=3 438 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,0]=2 439 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|0,0,1]=3 440 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|0,1,1]=4 441 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,1]=4 443 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|0,0,1]=3 444 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|1,0,0]=3 445 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|1,0,1]=4 446 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,0]=3 448 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|1,1,0]=4 449 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|2,0,0]=4 450 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,0]=3 452 B3R0.2 N=C(N)N CNP0564001.0 [2,0,0,0,0,0|2,0,0]=4 453 B3R0.2 N=C(N)S CNP0589508.0 [2,0,0,0,0,0|1,1,0]=4 454 B3R0.2 NC(=O)N CNP0520286.0 [2,0,0,0,0,0|1,0,0]=3 455 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|0,0,0]=2 456 B3R0.2 NC(=S)N CNP0599742.0 [2,0,0,0,0,0|1,1,0]=4 457 B3R0.2 NC(=S)S CNP0574797.0 [2,0,0,0,0,0|0,2,0]=4 458 B3R0.2 N[14C](=O)N CNP0600423.0 [2,0,0,0,0,0|1,0,0]=3 459 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|1,0,0]=3 460 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|0,1,0]=3 461 B3R0.2 O=P(O)O CNP0517495.0 [2,0,0,0,0,0|2,0,0]=4 462 B3R0.2 O=S(=O)O CNP0578309.0 [2,0,0,0,0,0|2,0,0]=4 463 B3R0.2 O=S(O)O CNP0520227.0 [2,0,0,0,0,0|2,0,0]=4 464 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [2,0,0,0,0,0|2,0,0]=4 465 B3R0.2 O=[N+]([O-])O CNP0534371.0 [2,0,0,0,0,0|2,0,0]=4 466 B3R0.2 O=[Se](O)O CNP0605088.0 [2,0,0,0,0,0|2,0,0]=4 467 B3R0.2 O=[Si](O)O CNP0567325.0 [2,0,0,0,0,0|1,1,0]=4 468 B3R0.2 OC(O)O CNP0594478.0 [2,0,0,0,0,0|2,0,0]=4 469 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,1,0,0,0,0|0,0,1]=3 471 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|1,0,0]=3 475 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|0,0,1]=3 478 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|2,0,0]=4 480 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|2,0,0]=4 481 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|1,0,0]=3 490 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|0,0,1]=3 499 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,1,0,0,0,0|0,1,1]=4 500 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|1,0,0]=3 505 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|1,0,0]=3 506 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|0,0,0]=2 507 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|0,0,1]=3 508 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|0,0,2]=4 509 B5R0.1 CCCS(=S)O CNP0558357.0 [1,1,0,0,0,0|1,1,0]=4 510 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.1 CCNC(=S)N CNP0415621.0 [1,1,0,0,0,0|1,1,0]=4 514 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|0,0,0]=2 517 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.1 CCSC(=N)N CNP0528738.0 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|1,0,0]=3 520 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|0,0,0]=2 523 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|0,0,0]=2 524 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|0,0,1]=3 525 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|0,0,0]=2 527 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|1,0,0]=3 529 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|0,0,0]=2 530 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|0,0,0]=2 534 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|0,0,0]=2 535 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,1,0,0,0,0|1,0,1]=4 536 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,1,0,0,0,0|0,0,1]=3 537 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|0,0,0]=2 538 B5R0.1 NCCP(=O)O CNP0498602.0 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,1,0,0,0,0|1,0,0]=3 540 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,1,0,0,0,0|1,0,0]=3 541 B5R0.1 NCNC(=O)N CNP0046326.0 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.1 NOCC(=O)O CNP0293826.0 [1,1,0,0,0,0|0,0,0]=2 543 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,1,0,0,0,0|0,0,2]=4 544 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,1,0,0,0,0|0,0,2]=4 545 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,1,0,0,0,0|0,0,2]=4 546 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,1,0,0,0,0|0,0,2]=4 547 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|0,0,0]=2 548 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|0,0,0]=2 549 B5R0.1 O=C(O)CNO CNP0316873.0 [1,1,0,0,0,0|0,0,0]=2 550 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,1,0,0,0,0|0,0,1]=3 551 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,1,0,0,0,0|1,0,1]=4 552 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,1,0,0,0,0|0,0,1]=3 553 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,1,0,0,0,0|0,0,2]=4 554 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,1,0,0,0,0|2,0,0]=4 555 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|1,0,0]=3 557 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,1,0,0,0,0|0,0,2]=4 558 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|1,0,1]=4 561 B5R0.3 CC(=NO)CO CNP0284253.0 [1,1,0,0,0,0|2,0,0]=4 562 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|1,0,1]=4 566 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|1,1,0]=4 567 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,1,0,0,0,0|0,0,1]=3 568 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|1,0,0]=3 569 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|0,0,0]=2 570 B5R0.3 CCC(=O)NN CNP0281170.0 [1,1,0,0,0,0|1,0,0]=3 571 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|0,0,0]=2 572 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|0,1,0]=3 573 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|1,0,1]=4 575 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|0,0,2]=4 578 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|1,0,0]=3 579 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|1,0,0]=3 581 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|2,0,0]=4 585 B5R0.3 CNC(=O)NC CNP0028412.0 [1,1,0,0,0,0|2,0,0]=4 586 B5R0.3 CNC(=O)OC CNP0483114.0 [1,1,0,0,0,0|1,0,0]=3 587 B5R0.3 COC(=O)CI CNP0017842.0 [1,1,0,0,0,0|1,0,0]=3 588 B5R0.3 COC(=O)NN CNP0033099.0 [1,1,0,0,0,0|1,0,0]=3 589 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.3 NC(CO)CO CNP0535001.0 [1,1,0,0,0,0|0,0,1]=3 591 B5R0.3 NCC(=O)NO CNP0470573.0 [1,1,0,0,0,0|0,0,0]=2 592 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,1,0,0,0,0|2,0,0]=4 593 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,1,0,0,0,0|2,0,0]=4 594 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,1,0,0,0,0|2,0,0]=4 595 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,1,0,0,0,0|2,0,0]=4 596 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,1,0,0,0,0|2,0,0]=4 597 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,1,0,0,0,0|1,0,0]=3 598 B5R0.3 O=C(CO)CO CNP0303926.0 [1,1,0,0,0,0|1,0,0]=3 599 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|1,0,0]=3 602 B5R0.3 OCC(O)CCl CNP0334066.0 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.3 OCC(O)CO CNP0259986.0 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,1,0,0,0,0|1,0,1]=4 605 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,1,0,0,0,0|1,0,1]=4 606 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,1,0,0,0,0|1,0,1]=4 607 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,1,0,0,0,0|1,0,1]=4 608 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,1,0,0,0,0|1,0,1]=4 609 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|2,0,0]=4 610 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|1,0,0]=3 611 B5R0.4 CC(C)(C)N=O CNP0030824.0 [1,1,0,0,0,0|2,0,0]=4 612 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|2,0,0]=4 613 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|1,0,0]=3 614 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|1,0,1]=4 616 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.4 CCP(=O)(O)O CNP0534713.0 [1,1,0,0,0,0|1,0,0]=3 619 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [1,1,0,0,0,0|1,0,0]=3 620 B5R0.4 COP(=O)(O)O CNP0100207.0 [1,1,0,0,0,0|2,0,0]=4 621 B5R0.4 O=CC(Br)(Br)Br CNP0335672.0 [1,1,0,0,0,0|2,0,0]=4 622 B5R0.4 O=CC(Cl)(Cl)Cl CNP0323670.0 [1,1,0,0,0,0|2,0,0]=4 623 B5R0.4 O=CC(I)(I)I CNP0246473.0 [1,1,0,0,0,0|2,0,0]=4 624 B5R0.4 O=P(O)(O)CO CNP0297464.0 [1,1,0,0,0,0|2,0,0]=4 625 B5R0.4 O=P(O)(O)CS CNP0479695.0 [1,1,0,0,0,0|2,0,0]=4 626 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,0,0,0,1|2,0,0]=4 628 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,1,0,0,0,1|1,0,1]=4 629 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,1|2,0,0]=4 630 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,0,0,0,1|1,0,1]=4 631 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,1|2,0,0]=4 632 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,0,0,0,1|2,0,0]=4 633 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [0,1,0,0,0,1|2,0,0]=4 634 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,0,0,0,1|1,0,0]=3 635 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,1|1,0,1]=4 636 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,1|1,0,1]=4 637 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,1|1,0,1]=4 638 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,1|2,0,0]=4 639 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,1|2,0,0]=4 640 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,1|2,0,0]=4 641 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,1|1,0,0]=3 642 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,1|2,0,0]=4 643 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,1|2,0,0]=4 644 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,1|2,0,0]=4 645 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,1|1,0,0]=3 646 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,1|2,0,0]=4 647 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,1,0,0,0,1|2,0,0]=4 648 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,1,0,0,0,1|1,0,0]=3 649 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,1,0,0,0,1|1,0,1]=4 650 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,1|1,0,1]=4 651 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,1|1,0,1]=4 652 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,1|1,0,1]=4 653 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,1|1,0,0]=3 654 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,1|1,0,0]=3 655 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,1|2,0,0]=4 656 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,1|0,0,0]=2 657 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,1|1,0,0]=3 658 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,1|2,0,0]=4 659 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,1|2,0,0]=4 660 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,1,0,0,0,1|1,0,1]=4 661 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,1|1,1,0]=4 662 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,1,0,0,0,1|0,0,0]=2 663 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,1,0,0,0,1|1,0,0]=3 664 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,1,0,0,0,1|0,0,0]=2 665 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,1,0,0,0,1|1,0,0]=3 666 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,1,0,0,0,1|0,0,0]=2 667 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,1,0,0,0,1|0,0,1]=3 668 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,1,0,0,0,1|0,0,0]=2 669 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,1,0,0,0,1|1,0,1]=4 670 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,1,0,0,0,1|1,0,0]=3 671 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,0,0,0,1|1,0,0]=3 672 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,0,1|2,0,0]=4 673 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,0,1|2,0,0]=4 674 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,1,0,0,0,1|2,0,0]=4 675 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,0,0,0,1|1,0,0]=3 676 B7R0.9 CC(C)OP(=O)(O)O CNP0588322.0 [0,1,0,0,0,1|2,0,0]=4 677 B7R0.9 CC(O)CP(=O)(O)O CNP0083683.0 [0,1,0,0,0,1|2,0,0]=4 678 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,1,0,0,0,1|2,0,0]=4 679 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,1,0,0,0,1|2,0,0]=4 680 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,1,0,0,0,1|2,0,0]=4 681 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,0,1|1,0,0]=3 682 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,0,1|1,0,0]=3 683 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,1|1,0,1]=4 684 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,1|1,0,1]=4 685 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,0,1|1,0,1]=4 686 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,1|2,0,0]=4 687 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,0,1|1,0,1]=4 688 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,1|2,0,0]=4 689 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,1|2,0,0]=4 690 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,1|2,0,0]=4 691 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,1|2,0,0]=4 692 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,0,1|1,0,1]=4 693 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,1|2,0,0]=4 694 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,1|1,0,0]=3 695 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,0,1|1,0,0]=3 696 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,0,0,0,1|2,0,0]=4 697 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,0,1|1,0,0]=3 698 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,0,1|1,0,0]=3 699 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,0,1|1,0,0]=3 700 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,1,0,0,0,1|2,0,0]=4 701 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,1|2,0,0]=4 702 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,0,1|1,0,0]=3 703 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,0,1|1,0,0]=3 704 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,0,1|1,0,1]=4 705 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,0,1|2,0,0]=4 706 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,0,1|0,0,0]=2 707 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,0,1|0,0,0]=2 708 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,1|1,0,0]=3 709 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,0,1|1,0,0]=3 710 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,0,1|1,0,0]=3 711 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,0,1|1,0,0]=3 712 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,0,1|1,0,0]=3 713 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,0,1|1,0,0]=3 714 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,0,1|1,0,0]=3 715 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,0,1|1,0,0]=3 716 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,0,1|1,0,0]=3 717 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,0,1|1,0,0]=3 718 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,0,1|1,0,0]=3 719 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,0,1|1,0,0]=3 720 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,0,1|0,0,0]=2 721 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,0,1|0,0,0]=2 722 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,0,1|1,0,0]=3 723 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,0,1|1,0,0]=3 724 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,0,1|1,0,0]=3 725 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,1,0,0,0,1|2,0,0]=4 726 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,0,1|1,0,0]=3 727 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,0,1|1,0,0]=3 728 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,0,1|1,0,0]=3 729 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,0,1|1,0,0]=3 730 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,2,0,0,0,0|0,0,0]=2 731 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,2,0,0,0,0|0,0,0]=2 732 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,2,0,0,0,0|0,0,2]=4 734 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,2,0,0,0,0|0,0,0]=2 738 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,2,0,0,0,0|0,0,0]=2 739 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|1,0,0]=3 744 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|2,0,0]=4 748 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|2,0,0]=4 749 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|2,0,0]=4 751 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|1,0,0]=3 753 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|0,0,0]=2 754 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|0,0,0]=2 760 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,2,0,0,0,0|2,0,0]=4 763 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|1,0,0]=3 764 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|1,0,0]=3 770 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,2,0,0,0,0|0,0,0]=2 772 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,2,0,0,0,0|0,0,0]=2 773 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,2,0,0,0,0|0,0,0]=2 774 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,2,0,0,0,0|0,0,0]=2 775 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|0,0,0]=2 776 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|0,0,0]=2 777 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,2,0,0,0,0|0,0,0]=2 778 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,2,0,0,0,0|0,0,0]=2 779 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,2,0,0,0,0|0,0,0]=2 780 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,2,0,0,0,0|0,0,0]=2 781 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|0,0,0]=2 782 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|0,0,0]=2 783 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,2,0,0,0,0|0,0,0]=2 784 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,2,0,0,0,0|0,0,0]=2 785 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|0,0,0]=2 786 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,2,0,0,0,0|0,0,0]=2 787 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,2,0,0,0,0|0,0,0]=2 788 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,2,0,0,0,0|0,0,0]=2 789 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,2,0,0,0,0|0,0,0]=2 790 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,2,0,0,0,0|0,0,0]=2 791 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,2,0,0,0,0|0,0,0]=2 792 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,2,0,0,0,0|0,0,0]=2 793 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|0,0,0]=2 794 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,2,0,0,0,0|0,0,0]=2 795 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,2,0,0,0,0|0,0,0]=2 796 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,2,0,0,0,0|0,0,1]=3 803 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|1,0,1]=4 804 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|2,0,0]=4 807 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|1,0,0]=3 808 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|1,0,0]=3 809 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|0,0,0]=2 811 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|0,0,0]=2 812 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,2,0,0,0,0|1,0,1]=4 813 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|1,0,0]=3 814 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|0,0,0]=2 815 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,2,0,0,0,0|0,0,0]=2 816 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|1,0,0]=3 817 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|1,0,0]=3 818 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,2,0,0,0,0|0,0,0]=2 819 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|1,0,0]=3 820 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,2,0,0,0,0|2,0,0]=4 821 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|1,0,0]=3 823 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|1,0,1]=4 825 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,2,0,0,0,0|1,0,0]=3 826 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,2,0,0,0,0|1,0,0]=3 827 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,2,0,0,0,0|1,0,0]=3 828 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,2,0,0,0,0|0,0,0]=2 829 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,2,0,0,0,0|2,0,0]=4 830 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|1,0,0]=3 831 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,2,0,0,0,0|0,0,0]=2 832 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|1,0,0]=3 833 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,2,0,0,0,0|0,0,0]=2 834 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|1,0,1]=4 835 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,2,0,0,0,0|0,0,0]=2 836 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,2,0,0,0,0|0,0,0]=2 837 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [0,2,0,0,0,0|1,0,1]=4 838 B7R0.14 COC(=O)C(Br)(Br)Br CNP0347228.0 [0,2,0,0,0,0|2,0,0]=4 839 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.14 NC[C@H](O)P(=O)(O)O CNP0246536.1 [0,2,0,0,0,0|2,0,0]=4 841 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|1,0,1]=4 842 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,2,0,0,0,0|0,0,1]=3 843 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,2,0,0,0,0|2,0,0]=4 844 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,2,0,0,0,0|2,0,0]=4 845 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,2,0,0,0,0|2,0,0]=4 846 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,2,0,0,0,0|1,0,0]=3 847 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|1,0,0]=3 848 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,2,0,0,0,0|0,0,0]=2 849 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,2,0,0,0,0|0,0,0]=2 850 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,2,0,0,0,0|0,0,0]=2 851 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,2,0,0,0,0|0,0,0]=2 852 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,2,0,0,0,0|0,0,0]=2 853 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,2,0,0,0,0|0,0,0]=2 854 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,2,0,0,0,0|1,0,0]=3 856 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,2,0,0,0,0|1,0,0]=3 857 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,1]=4 858 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|0,0,0]=2 859 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|1,0,1]=4 860 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,0,1]=4 861 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|1,0,1]=4 862 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|1,0,1]=4 863 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,0,1]=4 864 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,1|1,0,1]=4 865 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,1|2,0,0]=4 866 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,1|2,0,0]=4 867 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,1|2,0,0]=4 868 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,1|2,0,0]=4 869 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,1|2,0,0]=4 870 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,1|1,0,0]=3 871 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,1|2,0,0]=4 872 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,1|1,0,0]=3 873 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,1|2,0,0]=4 874 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,1|1,0,0]=3 875 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,1,0,1|1,1,0]=4 876 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,1|1,0,1]=4 877 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,1|2,0,0]=4 878 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,1|2,0,0]=4 879 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,1|2,0,0]=4 880 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,1|1,0,0]=3 881 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,1|2,0,0]=4 882 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,1|1,0,0]=3 883 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,1,0,1|2,0,0]=4 884 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,1|0,0,2]=4 885 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|1,0,1]=4 886 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|1,0,1]=4 888 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|1,0,0]=3 889 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|2,0,0]=4 890 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|2,0,0]=4 891 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|1,0,0]=3 892 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|2,0,0]=4 893 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|2,0,0]=4 894 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|2,0,0]=4 896 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|0,0,0]=2 897 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,1,0,1,0,0|0,0,1]=3 898 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,1,0,0|0,0,0]=2 899 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,1,0,0|0,1,1]=4 900 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,1,0,0|0,1,1]=4 901 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|0,0,0]=2 902 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|0,1,0]=3 903 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,1,0,0|0,0,0]=2 904 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|2,0,0]=4 906 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|1,0,1]=4 907 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|0,0,0]=2 908 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|0,0,0]=2 911 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|0,0,0]=2 912 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,1,0,1,0,0|0,0,0]=2 913 B7R1.19 O=C(O)C1(NN1)O CNP0312168.0 [0,1,0,1,0,0|1,0,0]=3 914 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,1,0,1,0,0|1,0,0]=3 915 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,1,0,1,0,0|1,0,0]=3 916 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,2|1,0,1]=4 917 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,2|1,0,1]=4 918 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,2|2,0,0]=4 919 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,2|1,0,1]=4 920 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,2|2,0,0]=4 921 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,2|2,0,0]=4 922 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,2|1,0,1]=4 923 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,2|2,0,0]=4 924 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,2|2,0,0]=4 925 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,0,0,0,2|2,0,0]=4 926 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,0,2|1,0,0]=3 927 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,0,2|2,0,0]=4 928 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,0,2|2,0,0]=4 929 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,0,2|1,0,0]=3 930 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,0,2|2,0,0]=4 931 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,0,2|1,0,0]=3 932 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,0,2|2,0,0]=4 933 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,0,2|2,0,0]=4 934 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,0,0,0,0,2|2,0,0]=4 935 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,0,2|2,0,0]=4 936 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,0,0,0,0,2|1,0,1]=4 937 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,0,0,0,0,2|1,0,1]=4 938 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,0,0,0,0,2|1,0,1]=4 939 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,0,0,0,0,2|1,0,1]=4 940 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,0,2|1,0,1]=4 941 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,0,2|1,0,1]=4