0 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 C=C[S+]([O-])C=C CNP0547152.0 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 CCC(=O)NN CNP0281170.0 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,0,0,0,0|0,1,2]=3 22 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 CNC(=N)NC CNP0404528.0 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 CNC(=O)NC CNP0028412.0 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 CNC(=O)OC CNP0483114.0 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.3 COC(=O)CI CNP0017842.0 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.3 COC(=O)NN CNP0033099.0 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.3 COC(C)CO CNP0485411.0 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 COC(C)OC CNP0122626.0 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 N#CC(=O)C#N CNP0604126.0 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.3 NCC(=O)NO CNP0470573.0 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.3 O=C(CO)CO CNP0303926.0 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,0,0,0,0,0|3,0,1]=4 42 B4R0.1 C#CC(=C)C CNP0599820.0 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 C#CC(=O)N CNP0485881.0 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,0,0,0,0|0,0,2]=3 45 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 C=C(C)C#N CNP0560504.0 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C=C(Cl)C#N CNP0518154.0 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 C=C(N)C#N CNP0550766.0 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|0,0,0]=1 56 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|1,0,0]=2 57 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|0,0,0]=1 59 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|0,0,1]=2 60 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|0,0,2]=3 62 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|0,0,2]=3 63 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|2,1,0]=4 81 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|0,0,2]=3 83 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|0,0,2]=3 87 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CN=C(N)N CNP0588415.0 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 CNC(=N)N CNP0590894.0 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 CNC(=S)N CNP0572685.0 [1,0,0,0,0,0|2,1,0]=4 100 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|2,1,0]=4 101 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|0,0,1]=2 102 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,0,0,0,0|2,1,0]=4 104 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|0,1,1]=3 105 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|1,0,0]=2 110 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,0,0,0,0|2,1,0]=4 120 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.1 O=[N+]([O-])O[Ag] CNP0571678.0 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 C#CC=CC CNP0541501.0 [1,0,0,0,0,0|1,0,2]=4 128 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,1]=3 129 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|1,0,0]=2 130 B4R0.2 C=CC=NO CNP0532391.0 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.2 C=CCC#N CNP0498043.0 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 C=CCC=C CNP0494589.0 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|0,1,1]=3 137 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|1,1,1]=4 138 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|0,1,1]=3 139 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 C=CSC=C CNP0525399.0 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 CC=CC#N CNP0588304.0 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|0,1,1]=3 148 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|1,1,1]=4 149 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|0,0,3]=4 153 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.2 CN=CC=S CNP0547393.0 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|1,0,2]=4 156 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|0,1,2]=4 158 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,1,1]=4 159 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|3,0,0]=4 161 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [0,1,0,0,0,0|1,1,1]=4 163 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [0,1,0,0,0,0|1,1,1]=4 164 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,0,0,0,0|0,0,0]=1 166 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.1 C=CCS(=S)OC CNP0557318.0 [0,1,0,0,0,0|1,1,0]=3 170 B6R0.1 C=CC[S@+]([O-])SC CNP0594212.2 [0,1,0,0,0,0|1,1,1]=4 171 B6R0.1 C=CC[S@@+]([O-])SC CNP0594212.1 [0,1,0,0,0,0|1,1,1]=4 172 B6R0.1 C=CC[S@@H+]([O-])SC CNP0536830.1 [0,1,0,0,0,0|1,1,1]=4 173 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|1,1,1]=4 176 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,0,0,0,0|0,0,0]=1 179 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,1,0,0,0,0|1,1,0]=3 180 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,0,0,0,0|0,1,2]=4 181 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|1,0,2]=4 185 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|0,0,2]=3 187 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|0,1,2]=4 188 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,0,0,0,0|0,0,2]=3 190 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,0,0,0,0|1,0,0]=2 191 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|0,0,2]=3 192 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|0,1,2]=4 195 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,0,0,0,0|0,0,2]=3 196 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,1,0,0,0,0|0,0,2]=3 197 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,1,0,0,0,0|0,0,0]=1 198 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,1,0,0,0,0|0,0,0]=1 199 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|0,0,1]=2 201 B6R0.1 COC(=O)CSC CNP0189712.0 [0,1,0,0,0,0|0,0,2]=3 202 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,0,0,0,0|0,0,2]=3 203 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|0,0,0]=1 205 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,1,0,0,0,0|0,0,0]=1 208 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|3,0,0]=4 219 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|1,0,2]=4 223 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|1,0,2]=4 224 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|1,0,2]=4 226 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|0,0,1]=2 231 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,1,0,0,0,0|1,0,0]=2 232 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|1,0,0]=2 233 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|0,0,2]=3 235 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,1,0,0,0,0|0,0,2]=3 236 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|0,0,2]=3 237 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,1,0,0,0,0|1,0,1]=3 238 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,1,0,0,0,0|0,0,2]=3 239 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|0,0,2]=3 240 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|0,1,2]=4 241 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|1,0,2]=4 242 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,1,0,0,0,0|1,0,2]=4 247 B6R0.8 COP(=O)(N)SC CNP0341467.0 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,1,0,0,0,0|0,0,2]=3 249 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,0,0,0,0|1,0,2]=4 253 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,0,0,1,0,0|2,0,1]=4 254 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|2,0,0]=3 255 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,1,0,0|1,0,1]=3 257 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,1,0,0|1,1,1]=4 258 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|2,0,1]=4 259 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|1,1,1]=4 260 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,1,0,0|3,0,0]=4 261 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,1,0,0|3,0,0]=4 262 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|3,0,0]=4 263 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,1,0,0|3,0,0]=4 264 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|2,0,1]=4 265 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,0,0,1,0,0|3,0,0]=4 266 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|1,0,0]=2 267 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,1,0,0|0,0,0]=1 268 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,1,0,0|1,0,0]=2 270 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,1,0,0|1,0,0]=2 271 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,1,0,0|0,0,2]=3 272 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|1,0,2]=4 273 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,1,0,0|1,0,2]=4 274 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|0,0,2]=3 275 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|0,1,2]=4 276 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,1,0,0|3,0,0]=4 277 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|2,0,1]=4 278 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|3,0,0]=4 279 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|2,0,1]=4 280 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,1,0,0|3,0,0]=4 281 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,1,0,0|1,0,1]=3 282 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,1,0,0|1,0,1]=3 283 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,0,0,1,0,0|0,0,2]=3 284 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,0,0,1,0,0|1,2,0]=4 285 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,1,0,0|1,1,1]=4 286 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,0,0,1,0,0|0,2,1]=4 287 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,1,0,0|2,1,0]=4 288 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,1,0,0|1,1,1]=4 289 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|1,0,2]=4 290 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,0,0,1,0,0|2,0,0]=3 291 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 292 B3R0.1 C=C=CBr CNP0595246.0 [2,0,0,0,0,0|1,0,1]=4 293 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,1]=3 294 B3R0.1 C=CC#N CNP0580732.0 [2,0,0,0,0,0|1,0,1]=4 295 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,1]=3 296 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,0]=2 297 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|0,1,0]=3 298 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,1]=3 299 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,1]=4 300 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,1]=3 301 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,1,1]=4 302 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|0,0,0]=2 303 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,0]=3 304 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,1]=3 305 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|1,0,0]=3 306 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 307 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [2,0,0,0,0,0|2,0,0]=4 308 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|1,0,0]=3 309 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|1,0,1]=4 310 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|2,0,0]=4 311 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|0,0,2]=4 312 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 313 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 314 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|0,0,0]=2 315 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|1,0,1]=4 316 B3R0.1 ClC=CCl CNP0610334.0 [2,0,0,0,0,0|2,0,0]=4 317 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|1,1,0]=4 318 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,1]=4 319 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 320 B3R0.1 O=BOO CNP0541096.0 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,0]=3 322 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,1]=4 324 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,1]=4 325 B3R0.1 O=NOO CNP0508221.0 [2,0,0,0,0,0|2,0,0]=4 326 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,0]=3 327 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|1,0,0]=3 328 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,1]=3 329 B3R0.2 C=C(Cl)Cl CNP0573882.0 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 331 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,1]=3 332 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,0]=3 334 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,1]=3 335 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|1,0,0]=3 336 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,1,0]=4 337 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,1]=4 339 B3R0.2 NC(=O)N CNP0520286.0 [2,0,0,0,0,0|2,0,0]=4 340 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|1,0,0]=3 341 B3R0.2 N[14C](=O)N CNP0600423.0 [2,0,0,0,0,0|2,0,0]=4 342 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|1,0,0]=3 343 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|1,0,0]=3 344 B3R0.2 O=P(O)O CNP0517495.0 [2,0,0,0,0,0|2,0,0]=4 345 B3R0.2 O=S(=O)O CNP0578309.0 [2,0,0,0,0,0|2,0,0]=4 346 B3R0.2 O=S(O)O CNP0520227.0 [2,0,0,0,0,0|2,0,0]=4 347 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [2,0,0,0,0,0|2,0,0]=4 348 B3R0.2 O=[N+]([O-])O CNP0534371.0 [2,0,0,0,0,0|2,0,0]=4 349 B3R0.2 O=[Se](O)O CNP0605088.0 [2,0,0,0,0,0|2,0,0]=4 350 B3R0.2 O=[Si](O)O CNP0567325.0 [2,0,0,0,0,0|1,1,0]=4 351 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,1,0,0,0,0|0,0,2]=4 352 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|2,0,0]=4 353 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,1,0,0,0,0|1,0,0]=3 354 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|2,0,0]=4 355 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,1,0,0,0,0|1,0,0]=3 358 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|0,0,0]=2 359 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,1,0,0,0,0|1,0,0]=3 360 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|0,0,0]=2 361 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|0,0,2]=4 363 B5R0.1 C=CCS(=S)O CNP0533091.0 [1,1,0,0,0,0|1,1,0]=4 364 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [1,1,0,0,0,0|1,0,1]=4 365 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.1 C=COC(=O)C CNP0003526.0 [1,1,0,0,0,0|0,0,0]=2 367 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|1,0,1]=4 371 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,1,0,0,0,0|1,0,0]=3 373 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,2]=4 374 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,0,2]=4 375 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|0,0,1]=3 376 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,1,0,0,0,0|1,1,0]=4 378 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|0,0,0]=2 379 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,1,0,0,0,0|1,0,0]=3 381 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|0,0,0]=2 382 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,1,0,0,0,0|0,1,0]=3 383 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,1,0,0,0,0|1,1,0]=4 384 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.1 CC=CS(=S)O CNP0498878.0 [1,1,0,0,0,0|1,1,0]=4 387 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,2]=4 389 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,2]=4 390 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|0,0,2]=4 392 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|2,0,0]=4 393 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|0,0,2]=4 394 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,0,1]=3 395 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|1,0,0]=3 396 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,0]=3 397 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,0,1]=3 398 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,0,2]=4 399 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|0,0,2]=4 400 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|0,0,2]=4 401 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,1]=3 403 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,0]=3 404 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,0,2]=4 405 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|0,0,2]=4 406 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|0,0,2]=4 407 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|0,0,2]=4 408 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,1,0,0,0,0|0,0,2]=4 409 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,1,0,0,0,0|1,0,0]=3 410 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|0,0,2]=4 411 B5R0.1 NCNC(=O)N CNP0046326.0 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.1 NOCC(=O)O CNP0293826.0 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,1,0,0,0,0|0,0,0]=2 414 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,1,0,0,0,0|0,0,0]=2 415 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,1,0,0,0,0|0,0,0]=2 416 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,1,0,0,0,0|1,0,0]=3 417 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|0,0,2]=4 418 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|0,0,2]=4 419 B5R0.1 O=C(O)CNO CNP0316873.0 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,1,0,0,0,0|2,0,0]=4 421 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,1,0,0,0,0|0,0,1]=3 422 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,1,0,0,0,0|0,0,2]=4 423 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|0,0,2]=4 424 B5R0.4 C=CS(=O)(=O)O CNP0571857.0 [1,1,0,0,0,0|1,0,0]=3 425 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [1,1,0,0,0,0|2,0,0]=4 426 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.4 COP(=O)(O)O CNP0100207.0 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.4 COS(=O)(=O)C CNP0336702.0 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|1,0,1]=4 430 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|0,0,0]=2 432 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,1,0,0,0,0|1,0,0]=3 434 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|0,0,0]=2 435 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|0,0,2]=4 436 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|0,0,2]=4 437 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [1,1,0,0,0,0|1,0,0]=3 439 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,1,0,0,0,0|0,0,0]=2 440 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,1,0,0,0,0|0,0,0]=2 442 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,1,0,0,0,0|0,0,0]=2 443 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,2]=4 446 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,1,0,0,0,0|0,0,1]=3 447 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|0,0,1]=3 448 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,1,0,0,0,0|1,0,0]=3 449 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,1,0,0,0,0|0,0,1]=3 450 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,2]=4 452 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|0,0,2]=4 456 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|0,0,2]=4 457 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|0,0,2]=4 460 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|2,0,0]=4 461 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|2,0,0]=4 462 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|2,0,0]=4 464 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|2,0,0]=4 465 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|0,0,2]=4 466 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|0,0,2]=4 467 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|0,0,2]=4 468 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|0,0,2]=4 469 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|0,0,2]=4 470 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,1,0,0,0,0|1,0,0]=3 472 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,1,0,0,0,0|1,0,0]=3 475 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.2 C=CC=CC=C CNP0612137.0 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.2 C=CC=CC=O CNP0022566.0 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.2 C=CC=CCC CNP0495438.0 [1,1,0,0,0,0|1,0,0]=3 487 B5R0.2 C=CCC=CC CNP0292090.0 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.2 C=CCOC=C CNP0367857.0 [1,1,0,0,0,0|0,0,2]=4 491 B5R0.2 C=CCOC=O CNP0541341.0 [1,1,0,0,0,0|0,0,2]=4 492 B5R0.2 C=CCSCC CNP0261096.0 [1,1,0,0,0,0|0,1,1]=4 493 B5R0.2 C=CCSSC CNP0333880.0 [1,1,0,0,0,0|0,1,1]=4 494 B5R0.2 C=CSSCC CNP0003136.0 [1,1,0,0,0,0|1,1,0]=4 495 B5R0.2 CC=C=COC CNP0519318.0 [1,1,0,0,0,0|0,0,1]=3 496 B5R0.2 CC=CC=CC CNP0611428.0 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.2 CC=CCC=O CNP0167409.0 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|1,0,1]=4 499 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|1,0,1]=4 500 B5R0.2 CC=CSSC CNP0214071.0 [1,1,0,0,0,0|0,1,1]=4 501 B5R0.2 CCC=CC#N CNP0080058.0 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.2 CCC=CC=O CNP0328747.0 [1,1,0,0,0,0|1,0,0]=3 503 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.2 CCC=CSC CNP0068372.0 [1,1,0,0,0,0|0,1,1]=4 505 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.2 COC=COC CNP0416791.0 [1,1,0,0,0,0|0,0,1]=3 508 B5R0.2 CSC=CSC CNP0075985.0 [1,1,0,0,0,0|0,1,1]=4 509 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,2,0,0,0,0|1,0,0]=3 514 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,2,0,0,0,0|0,0,2]=4 517 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,2,0,0,0,0|1,0,0]=3 520 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,2,0,0,0,0|0,0,0]=2 521 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,2,0,0,0,0|0,0,1]=3 522 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,2,0,0,0,0|0,0,1]=3 523 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,2,0,0,0,0|0,0,2]=4 524 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,2,0,0,0,0|0,0,2]=4 525 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,2,0,0,0,0|0,0,2]=4 526 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,2,0,0,0,0|0,0,2]=4 527 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|0,0,2]=4 528 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,2,0,0,0,0|0,0,2]=4 529 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,2,0,0,0,0|0,0,2]=4 530 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,2,0,0,0,0|1,0,0]=3 531 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,2,0,0,0,0|0,0,0]=2 537 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,2,0,0,0,0|0,0,0]=2 539 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|0,0,2]=4 543 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,2,0,0,0,0|0,0,2]=4 545 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,2,0,0,0,0|0,0,2]=4 546 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,2,0,0,0,0|0,0,2]=4 547 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,2,0,0,0,0|0,0,0]=2 550 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,2,0,0,0,0|0,0,2]=4 551 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,2,0,0,0,0|0,0,1]=3 552 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,2,0,0,0,0|0,0,2]=4 553 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,2,0,0,0,0|0,0,0]=2 554 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,2,0,0,0,0|0,0,0]=2 555 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,2,0,0,0,0|0,0,0]=2 556 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,2,0,0,0,0|0,0,0]=2 557 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|0,0,1]=3 565 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|0,0,2]=4 567 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,2,0,0,0,0|0,0,2]=4 568 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|0,0,2]=4 570 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,2,0,0,0,0|1,0,1]=4 572 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|0,0,2]=4 573 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,2,0,0,0,0|0,0,0]=2 576 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,2,0,0,0,0|0,0,0]=2 582 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,2,0,0,0,0|0,0,2]=4 583 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,2,0,0,0,0|0,0,0]=2 584 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,2,0,0,0,0|0,0,0]=2 585 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,2,0,0,0,0|0,0,0]=2 586 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,2,0,0,0,0|0,0,2]=4 587 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,2,0,0,0,0|0,0,2]=4 588 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,2,0,0,0,0|0,0,2]=4 589 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,2,0,0,0,0|0,0,2]=4 590 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,2,0,0,0,0|1,1,0]=4 591 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|0,0,0]=2 596 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|0,0,2]=4 599 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|0,0,2]=4 600 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|0,0,2]=4 601 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|0,0,2]=4 603 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|0,0,2]=4 604 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,2,0,0,0,0|0,0,0]=2 605 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,2,0,0,0,0|0,0,0]=2 606 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,2,0,0,0,0|0,0,0]=2 607 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,2,0,0,0,0|0,0,1]=3 608 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|0,0,2]=4 609 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|0,0,2]=4 610 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,2,0,0,0,0|0,0,2]=4 611 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|0,0,2]=4 612 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|0,0,1]=3 613 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,2,0,0,0,0|0,0,2]=4 614 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|0,0,2]=4 615 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.11 CC=CS(=O)(=O)SC CNP0192483.0 [0,2,0,0,0,0|1,1,0]=4 621 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,2,0,0,0,0|0,1,1]=4 624 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.14 COC(=O)C(Br)(Br)Br CNP0347228.0 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,2,0,0,0,0|0,0,2]=4 627 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,2,0,0,0,0|1,0,0]=3 629 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|2,0,0]=4 634 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|0,0,1]=3 635 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,1]=4 636 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,1,0,0|1,0,0]=3 637 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,1]=4 638 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|0,0,1]=3 639 B5R1.1 C1=CNC=C1 CNP0578490.0 [1,0,0,1,0,0|1,0,1]=4 640 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,1]=4 641 B5R1.1 C1=CNN=C1 CNP0583187.0 [1,0,0,1,0,0|2,0,0]=4 642 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,1,0,0|0,0,1]=3 643 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,1]=3 644 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,1,0,0|1,0,0]=3 645 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,1,0,0|0,1,1]=4 646 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,1,1]=4 647 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,1,0,0|1,1,0]=4 648 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,1,0,0|1,1,0]=4 649 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,1,0,1,0,0|1,0,1]=4 650 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,1,0,1,0,0|0,0,2]=4 651 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,1,0,1,0,0|1,0,1]=4 652 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,1,0,1,0,0|1,1,0]=4 653 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,1,0,1,0,0|1,0,1]=4 654 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,1,0,1,0,0|1,1,0]=4 655 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,1,0,1,0,0|1,1,0]=4 656 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,1,0,1,0,0|0,0,1]=3 658 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,1,0,1,0,0|1,0,0]=3 659 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,1,0,1,0,0|0,2,0]=4 660 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,1,0,1,0,0|1,0,1]=4 661 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,1,0,1,0,0|1,0,1]=4 662 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,1,0,0|0,0,1]=3 663 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,1,0,1,0,0|0,1,1]=4 664 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,1,0,1,0,0|0,0,2]=4 667 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,1,0,1,0,0|0,1,1]=4 668 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,1,0,0|0,0,1]=3 669 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,1,0,1,0,0|1,0,1]=4 670 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|0,0,0]=2 674 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,1,0,0|1,1,0]=4 675 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,1,0,1,0,0|1,0,0]=3 677 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,1,0,1,0,0|1,1,0]=4 678 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|0,0,1]=3 679 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,1,0,1,0,0|1,0,1]=4 681 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,1,0,1,0,0|2,0,0]=4 682 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,1,0,1,0,0|2,0,0]=4 683 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|0,0,0]=2 684 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|0,0,2]=4 686 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|0,0,2]=4 687 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|0,0,2]=4 688 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|0,0,2]=4 689 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|0,0,2]=4 690 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,1,0,0|0,0,0]=2 692 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,1,0,0|1,0,1]=4 693 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,1,0,1,0,0|1,0,1]=4 694 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,1,0,0|0,0,1]=3 695 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|2,0,0]=4 698 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|1,0,1]=4 699 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,1,0,0|1,1,0]=4 703 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|0,0,2]=4 704 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|0,0,2]=4 705 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,1,0,1,0,0|1,0,1]=4 706 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|2,0,0]=4 707 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,1,0,1,0,0|2,0,0]=4 709 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,1,0,1,0,0|1,0,1]=4 710 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,1,0,1,0,0|1,0,1]=4 711 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,1,0,1,0,0|0,0,1]=3 712 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,1,0,1,0,0|1,0,1]=4 713 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,1,0,1,0,0|1,0,1]=4 717 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,1,0,0|1,0,0]=3 719 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|0,0,2]=4 722 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,1,0,1,0,0|2,0,0]=4 724 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|0,0,0]=2 726 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|0,0,2]=4 727 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,1,0,1,0,0|1,0,1]=4 728 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,1,0,1,0,0|1,1,0]=4 729 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|1,0,1]=4 730 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,1,0,1,0,0|2,0,0]=4 732 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|0,0,0]=2 734 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,1,0,1,0,0|2,0,0]=4 735 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,1,0,1,0,0|2,0,0]=4 736 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,1,0,1,0,0|2,0,0]=4 737 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,2]=4 739 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,1,0,1,0,0|1,1,0]=4 741 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,1,0,1,0,0|1,1,0]=4 742 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [0,1,0,1,0,0|2,0,0]=4 743 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|0,0,2]=4 745 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|0,0,2]=4 746 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|0,0,2]=4 747 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|0,0,2]=4 749 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,1,0,0|1,0,1]=4 750 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,1,0,0|1,0,0]=3 751 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|1,0,0]=3 752 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|1,0,1]=4 753 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|1,0,1]=4 754 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|0,0,0]=2 755 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,1,0,1,0,0|0,0,2]=4 756 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|1,0,1]=4 757 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,1,0,1,0,0|2,0,0]=4 758 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,1,0,1,0,0|0,0,2]=4 759 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,1,0,1,0,0|0,0,2]=4 760 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,2,0,0|1,0,1]=4