0 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,0,0,0,0,0|3,0,1]=4 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|2,0,2]=4 3 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CC(=NO)CO CNP0284253.0 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 CC(CO)CO CNP0282467.0 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.3 CCC(=O)NN CNP0281170.0 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 CCC(C)CS CNP0003009.0 [0,0,0,0,0,0|2,1,1]=4 19 B5R0.3 CCC(N)CC CNP0103985.0 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 CCC(O)CC CNP0293075.0 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.3 CCC(O)CCl CNP0366953.0 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.3 CCC(O)CO CNP0534149.0 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.3 CCC(S)CS CNP0197461.0 [0,0,0,0,0,0|1,2,1]=4 24 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.3 CN(C=O)CO CNP0412364.0 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 CNC(=O)NC CNP0028412.0 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.3 CNC(=O)OC CNP0483114.0 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.3 COC(=O)CI CNP0017842.0 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.3 COC(=O)NN CNP0033099.0 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.3 COC(C)CO CNP0485411.0 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 N#CC(=O)C#N CNP0604126.0 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.3 NC(CO)CO CNP0535001.0 [0,0,0,0,0,0|1,0,1]=2 38 B5R0.3 NCC(=O)NO CNP0470573.0 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,0,0,0,0,0|1,0,0]=1 45 B5R0.3 O=C(CO)CO CNP0303926.0 [0,0,0,0,0,0|0,0,0]=0 46 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,0,0,0,0,0|0,0,4]=4 47 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,0,0,0,0,0|0,0,4]=4 48 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.3 OC(CI)CI CNP0161531.0 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.3 OC(CP)CP CNP0345632.0 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.3 OCC(O)CCl CNP0334066.0 [0,0,0,0,0,0|1,0,2]=3 53 B5R0.3 OCC(O)CO CNP0259986.0 [0,0,0,0,0,0|0,0,2]=2 54 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,0,0,0,0,0|0,1,2]=3 55 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,0,0,0,0,0|0,2,1]=3 56 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,0,0,0,0,0|1,0,2]=3 57 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,0,0,0,0,0|0,2,1]=3 58 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.3 PCC(P)CP CNP0345634.0 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,0,0,0,0,0|1,0,1]=2 61 B4R0.1 C#CC(=C)C CNP0599820.0 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C#CC(=O)N CNP0485881.0 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 C=C(C)C#N CNP0560504.0 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|0,0,0]=1 83 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|0,1,0]=2 84 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,1,1]=4 92 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|0,2,1]=4 94 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|2,1,0]=4 96 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|1,1,1]=4 109 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,1,1]=4 111 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.1 COC(=O)N CNP0575874.0 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|0,0,2]=3 121 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|1,0,2]=4 123 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|0,0,2]=3 125 B4R0.1 N=C(N)NO CNP0496900.0 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|1,0,0]=2 130 B4R0.1 NC(=O)NO CNP0593192.0 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|1,0,0]=2 133 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|1,0,0]=2 138 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|1,0,0]=2 140 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|0,0,0]=1 141 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|0,1,0]=2 142 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|0,0,2]=3 143 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|1,0,2]=4 146 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 C=CC=NO CNP0532391.0 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|1,1,1]=4 152 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|1,1,1]=4 161 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|3,0,0]=4 163 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|3,0,0]=4 164 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|3,0,0]=4 165 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,1]=3 171 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,1,1]=4 172 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|0,0,3]=4 173 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,1]=3 174 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|0,0,1]=2 176 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|0,1,1]=3 177 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|0,2,1]=4 178 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|1,0,0]=2 179 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|1,0,2]=4 185 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|1,0,0]=2 186 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,0,0,0,0|1,1,0]=3 188 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|1,0,2]=4 192 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|1,0,0]=2 194 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,1,0,0,0,0|2,1,0]=4 208 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 COC(=O)CSC CNP0189712.0 [0,1,0,0,0,0|2,1,0]=4 212 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|0,0,2]=3 214 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|0,0,2]=3 215 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|0,0,2]=3 216 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|0,0,2]=3 217 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|0,0,2]=3 218 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,1,0,0,0,0|0,0,2]=3 219 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,1,0,0,0,0|1,0,2]=4 222 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,1,1]=4 229 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|0,0,0]=1 231 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|1,0,2]=4 232 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|1,1,0]=3 235 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|2,0,1]=4 241 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 CN(C)C(=O)NO CNP0145831.0 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|1,0,1]=3 254 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|0,0,2]=3 255 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|1,0,1]=3 256 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|0,0,2]=3 257 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,2]=4 258 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|0,0,2]=3 259 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|0,0,3]=4 269 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|0,0,1]=2 270 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,0,0,0,0|0,1,1]=3 271 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|0,0,3]=4 272 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|0,0,3]=4 273 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,0,0,0,0|0,1,2]=4 274 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,1,0,0,0,0|0,0,3]=4 275 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,1,0,0,0,0|1,0,1]=3 276 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,1,0,0,0,0|1,0,2]=4 277 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,1,0,0,0,0|1,0,0]=2 278 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,0,0,0,0|3,0,0]=4 280 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.9 COC(CO)CO CNP0242404.0 [0,1,0,0,0,0|0,0,2]=3 284 B6R0.9 OCC(=NO)CO CNP0288617.0 [0,1,0,0,0,0|0,0,1]=2 285 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|3,0,0]=4 286 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|2,0,1]=4 287 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|2,0,1]=4 288 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|2,0,1]=4 289 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,1,0,0|2,0,1]=4 290 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,1,0,0|3,0,0]=4 291 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|2,0,0]=3 292 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,1,0,0|3,0,0]=4 293 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|3,0,0]=4 294 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|3,0,0]=4 295 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,1,0,0|3,0,0]=4 296 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|1,0,0]=2 297 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|2,0,0]=3 298 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|1,1,0]=3 299 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,1,0,0|3,0,0]=4 300 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|2,0,1]=4 301 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|1,0,2]=4 302 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|2,0,0]=3 303 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,1,0,0|2,0,1]=4 304 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,0,0,1,0,0|1,0,2]=4 305 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,0,0,1,0,0|1,0,1]=3 306 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 307 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 308 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|1,0,1]=4 309 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 310 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|1,0,1]=4 311 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|1,0,1]=4 312 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|1,0,1]=4 313 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,1]=4 314 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,1]=3 315 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,1,1]=4 316 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,1]=4 317 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|1,0,1]=4 318 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,1]=4 319 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,0]=3 320 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|1,0,0]=3 322 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|1,1,0]=4 323 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,1]=4 324 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|1,0,1]=4 325 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,1]=4 326 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,1]=4 327 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,1]=3 328 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,1]=4 329 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|2,0,0]=4 331 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|2,0,0]=4 332 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,1]=4 333 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|2,0,0]=4 334 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,1]=4 335 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|2,0,0]=4 336 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|2,0,0]=4 337 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 338 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 339 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|2,0,0]=4 340 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,0]=3 341 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 342 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,0]=3 343 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,1,0]=4 344 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,1]=4 345 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 346 B3R0.1 O=BOO CNP0541096.0 [2,0,0,0,0,0|2,0,0]=4 347 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|0,0,2]=4 348 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,0]=3 349 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|0,0,0]=2 350 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|0,1,0]=3 351 B3R0.1 O=NOO CNP0508221.0 [2,0,0,0,0,0|2,0,0]=4 352 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|0,0,1]=3 353 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,0]=3 354 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,0]=3 355 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|0,0,0]=2 356 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|0,1,0]=3 357 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|0,2,0]=4 358 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|1,0,0]=3 359 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|1,0,0]=3 360 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,1,0]=4 361 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,0]=2 362 B3R0.2 CC(=O)Cl CNP0537278.0 [2,0,0,0,0,0|1,0,0]=3 363 B3R0.2 CC(=O)N CNP0570171.0 [2,0,0,0,0,0|1,0,0]=3 364 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,0]=2 365 B3R0.2 CC(=O)[O-] CNP0505268.0 [2,0,0,0,0,0|0,0,1]=3 366 B3R0.2 CC(=S)N CNP0579768.0 [2,0,0,0,0,0|1,1,0]=4 367 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|1,0,1]=4 368 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,1]=4 369 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,1]=4 370 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,2]=4 371 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,1]=4 372 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|2,0,0]=4 373 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 374 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,0]=3 375 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|2,0,0]=4 376 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|1,1,0]=4 377 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|2,0,0]=4 378 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,1]=4 379 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|1,0,1]=4 380 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|2,0,0]=4 381 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 382 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|2,0,0]=4 383 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 384 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 385 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,0]=3 386 B3R0.2 NC(=O)N CNP0520286.0 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.2 NC(=O)O CNP0575336.0 [2,0,0,0,0,0|1,0,0]=3 388 B3R0.2 N[14C](=O)N CNP0600423.0 [2,0,0,0,0,0|2,0,0]=4 389 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|0,0,0]=2 390 B3R0.2 O=C(O)P CNP0562466.0 [2,0,0,0,0,0|1,0,0]=3 391 B3R0.2 O=P(O)O CNP0517495.0 [2,0,0,0,0,0|1,0,0]=3 392 B3R0.2 O=S(=O)O CNP0578309.0 [2,0,0,0,0,0|1,0,1]=4 393 B3R0.2 O=S(O)O CNP0520227.0 [2,0,0,0,0,0|1,0,0]=3 394 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [2,0,0,0,0,0|1,0,0]=3 395 B3R0.2 O=[N+]([O-])O CNP0534371.0 [2,0,0,0,0,0|1,0,1]=4 396 B3R0.2 O=[Se](O)O CNP0605088.0 [2,0,0,0,0,0|1,0,0]=3 397 B3R0.2 O=[Si](O)O CNP0567325.0 [2,0,0,0,0,0|0,1,0]=3 398 B3R0.2 OB(O)O CNP0568939.0 [2,0,0,0,0,0|1,0,1]=4 399 B3R0.2 OC(O)O CNP0594478.0 [2,0,0,0,0,0|0,0,2]=4 400 B3R0.2 O[As](O)O CNP0559543.0 [2,0,0,0,0,0|1,0,1]=4 401 B3R0.2 O[Sb](O)O CNP0536687.0 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.2 O[Zn-](O)O CNP0493920.0 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,1,0,0,0,0|1,0,0]=3 405 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|1,0,0]=3 410 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|1,0,0]=3 412 B5R0.1 C=COC(=O)C CNP0003526.0 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|1,1,0]=4 415 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,1,0,0,0,0|0,0,1]=3 416 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,0]=2 417 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,1,0]=3 418 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|0,1,0]=3 419 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|2,0,0]=4 424 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|1,0,0]=3 434 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|1,0,0]=3 435 B5R0.1 CN(C)CCO CNP0230038.0 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,0]=2 440 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|0,0,0]=2 441 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,1,0]=3 443 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|0,1,0]=3 444 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,0,2]=4 445 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,0,2]=4 446 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|0,1,0]=3 448 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|0,1,0]=3 449 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,0]=3 452 B5R0.1 NCCP(=O)O CNP0498602.0 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.1 NCNC(=O)N CNP0046326.0 [1,1,0,0,0,0|2,0,0]=4 456 B5R0.1 NOCC(=O)O CNP0293826.0 [1,1,0,0,0,0|0,0,0]=2 457 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,1,0,0,0,0|0,0,1]=3 461 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|0,0,0]=2 462 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|0,1,0]=3 463 B5R0.1 O=C(O)CNO CNP0316873.0 [1,1,0,0,0,0|0,0,0]=2 464 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,1,0,0,0,0|0,0,1]=3 465 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,1,0,0,0,0|1,0,0]=3 467 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|0,0,2]=4 468 B5R0.4 CCP(=O)(O)O CNP0534713.0 [1,1,0,0,0,0|2,0,0]=4 469 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.4 CP(=O)(C)CO CNP0140331.0 [1,1,0,0,0,0|1,0,0]=3 471 B5R0.4 O=P(O)(O)CO CNP0297464.0 [1,1,0,0,0,0|1,0,0]=3 472 B5R0.4 O=P(O)(O)CS CNP0479695.0 [1,1,0,0,0,0|1,1,0]=4 473 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [1,1,0,0,0,0|1,0,0]=3 474 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|1,0,0]=3 477 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|1,0,0]=3 478 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|2,0,0]=4 482 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|0,0,2]=4 485 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,1,0,0,0,0|0,0,2]=4 486 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,1,0,0,0,0|0,0,1]=3 487 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|0,1,0]=3 490 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|0,0,0]=2 491 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|2,0,0]=4 492 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|0,0,0]=2 493 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|0,0,0]=2 494 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|2,0,0]=4 495 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|2,0,0]=4 496 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|1,0,1]=4 499 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|0,0,1]=3 500 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|0,0,1]=3 501 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|0,0,1]=3 502 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|0,0,1]=3 503 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|0,0,1]=3 504 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|0,1,1]=4 505 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|1,0,0]=3 506 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|0,0,0]=2 507 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|0,0,2]=4 508 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|1,0,0]=3 509 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|0,0,0]=2 510 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|0,0,2]=4 511 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|0,0,2]=4 512 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|0,1,0]=3 513 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,1,0,0,0,0|0,0,2]=4 514 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.5 NC(=O)C(I)I CNP0182681.0 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [1,1,0,0,0,0|2,0,0]=4 518 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|0,0,0]=2 519 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,1,0,0,0,0|0,0,1]=3 520 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,1,0,0,0,0|1,0,0]=3 521 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,1,0,0,0,0|1,0,0]=3 522 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,1,0,0,0,0|1,0,0]=3 523 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|0,0,0]=2 524 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,1,0,0,0,0|1,0,0]=3 525 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,1,0,0,0,0|1,0,0]=3 527 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,1,0,0,0,0|1,0,0]=3 528 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [1,1,0,0,0,0|2,0,0]=4 529 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,1,0,0,0,0|0,0,1]=3 530 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.2 CC=C=CCO CNP0426440.0 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.2 CCC#CCO CNP0076027.0 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|1,0,0]=3 535 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|1,0,1]=4 536 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|1,0,1]=4 537 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|2,0,0]=4 538 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|1,0,1]=4 541 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|1,0,1]=4 542 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|0,1,1]=4 543 B5R0.2 N#CCCCO CNP0358912.0 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|1,0,1]=4 545 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|0,0,2]=4 546 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|0,0,0]=2 547 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|1,0,1]=4 548 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|1,0,1]=4 549 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|0,0,1]=3 550 B5R0.2 ON=CC=NO CNP0213631.0 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|0,0,2]=4 560 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,2,0,0,0,0|1,1,0]=4 563 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|0,0,2]=4 576 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|1,0,1]=4 577 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,2,0,0,0,0|1,1,0]=4 583 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|0,0,1]=3 589 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,2,0,0,0,0|0,0,2]=4 590 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,2,0,0,0,0|1,1,0]=4 594 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,2,0,0,0,0|1,1,0]=4 596 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.7 COCC(O)COC CNP0241402.0 [0,2,0,0,0,0|0,0,2]=4 598 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,2,0,0,0,0|0,1,1]=4 599 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,2,0,0,0,0|0,0,2]=4 600 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.10 C=C(CO)[C@H](O)C#N CNP0207972.1 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|1,0,0]=3 604 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [0,2,0,0,0,0|0,0,2]=4 613 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|0,0,0]=2 614 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|0,0,0]=2 615 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|0,0,2]=4 616 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,2,0,0,0,0|0,0,2]=4 617 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,2,0,0,0,0|0,0,2]=4 618 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,2,0,0,0,0|0,0,2]=4 619 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|0,0,2]=4 621 B7R0.12 N#CC=C(CO)CO CNP0217977.0 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,2,0,0,0,0|0,0,1]=3 623 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.14 O=C(CBr)C(Br)(Br)Br CNP0307916.0 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.14 O=C(CCl)P(=O)(O)O CNP0343694.0 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|0,0,1]=3 636 B7R0.16 O=C(C(Br)Br)C(Br)Br CNP0307690.0 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.16 O=C(C(Br)Br)[C@@H](Cl)Br CNP0250839.1 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.16 O=C(C(Cl)Cl)C(Br)Br CNP0163353.0 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.16 O=C(C(Cl)Cl)C(Cl)Cl CNP0154067.0 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.16 O=C(C(Cl)Cl)[C@H](Cl)Br CNP0170454.1 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,2,0,0,0,0|0,0,2]=4 642 B7R0.16 O=C([C@H](Cl)Br)[C@@H](Cl)Br CNP0308927.1 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.18 C[N+](CO)(CO)CO CNP0602661.0 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.18 NC(CO)(CO)CO CNP0207404.0 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.18 NC(CO)(CO)CO CNP0596345.0 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.18 O=P(CO)(CO)CO CNP0057905.0 [0,2,0,0,0,0|1,0,0]=3 647 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|1,0,0]=3 648 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,0,1]=4 649 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|0,0,2]=4 650 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,0,1]=4 651 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|1,0,1]=4 652 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|1,0,1]=4 653 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|1,0,1]=4 654 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,1,0,1,0,0|1,0,1]=4 656 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|1,0,1]=4 657 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|2,0,0]=4 661 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|1,0,1]=4 663 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|1,0,0]=3 668 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|2,0,0]=4 672 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|1,0,1]=4 673 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,1,0,1,0,0|2,0,0]=4 675 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,0]=3 679 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,1,0,0|0,0,2]=4 680 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|1,0,0]=3 681 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|1,1,0]=4 683 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|1,0,0]=3 686 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|2,0,0]=4 687 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|2,0,0]=4 688 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|2,0,0]=4 690 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|1,0,1]=4 695 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|0,1,0]=3 696 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,1,0,0|0,0,2]=4 699 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,1,0,0|0,0,2]=4 700 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,1,0,0|0,0,2]=4 701 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.22 OC[C@@H](O)C1OO1 CNP0531220.1 [0,1,0,1,0,0|0,0,2]=4 703 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|1,0,0]=3