0 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C=C(C)CCO CNP0285127.0 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.1 C=C(O)CCC CNP0003382.0 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=CCC(C)C CNP0293683.0 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C=CCC(C)O CNP0594112.0 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C=COC(C)C CNP0491165.0 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,0,0,0,0,0|1,0,3]=4 13 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,0,0,0,0|1,1,1]=3 15 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CC(=O)CCO CNP0251527.0 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,0,0,0,0|3,1,0]=4 19 B5R0.1 CC(C)C=CO CNP0546358.0 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.1 CC(C)C=NO CNP0180575.0 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 CC(C)CC#N CNP0003467.0 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 CC(C)CC=O CNP0200023.0 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.1 CC(C)CCN CNP0107663.0 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CC(C)CCO CNP0115711.0 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 CC(C)CCS CNP0222694.0 [0,0,0,0,0,0|1,1,0]=2 26 B5R0.1 CC(C)CNO CNP0343206.0 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,0,0,0,0,0|2,1,1]=4 29 B5R0.1 CC(C)OC=O CNP0079775.0 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 CC(C)ON=N CNP0504626.0 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 CC(O)CCS CNP0002409.0 [0,0,0,0,0,0|2,1,0]=3 32 B5R0.1 CC(S)CCS CNP0003105.0 [0,0,0,0,0,0|2,1,0]=3 33 B5R0.1 CC=CC(C)C CNP0513218.0 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 CCCC(=O)N CNP0115101.0 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.1 CCCC(=O)O CNP0259447.0 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.1 CCCC(C)C CNP0319065.0 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.1 CCCC(C)S CNP0029638.0 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.1 CCCC(O)O CNP0076336.0 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.1 CCCS(=S)O CNP0558357.0 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,0,0,0,0|4,0,0]=4 48 B5R0.1 CCOC(C)C CNP0604172.0 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,0,0,0,0|4,0,0]=4 50 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.1 CCSC(C)C CNP0254931.0 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.1 CCSC(C)S CNP0579398.0 [0,0,0,0,0,0|4,0,0]=4 53 B5R0.1 CN(C)CC#N CNP0084986.0 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.1 CN(C)CCCl CNP0328789.0 [0,0,0,0,0,0|1,0,0]=1 55 B5R0.1 CN(C)CCO CNP0230038.0 [0,0,0,0,0,0|0,0,0]=0 56 B5R0.1 CN=CC(C)C CNP0149349.0 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.1 CNCC(C)C CNP0273998.0 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,0,0,0,0|4,0,0]=4 59 B5R0.1 COCC(C)C CNP0528468.0 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,0,0,0,0|4,0,0]=4 61 B5R0.1 CSCC(C)C CNP0405087.0 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.1 CSSC(C)C CNP0267830.0 [0,0,0,0,0,0|4,0,0]=4 64 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.1 NCCC(=O)O CNP0226336.0 [0,0,0,0,0,0|4,0,0]=4 70 B5R0.1 NCCP(=O)O CNP0498602.0 [0,0,0,0,0,0|3,1,0]=4 71 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,0,0,0,0,0|4,0,0]=4 72 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.1 O=C(O)CCO CNP0228379.0 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.1 O=C(O)CCS CNP0097385.0 [0,0,0,0,0,0|3,1,0]=4 75 B5R0.1 O=C(O)CNO CNP0316873.0 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,0,0,0,0,0|2,0,1]=3 77 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|2,1,0]=4 88 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,1,0]=3 95 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|2,1,0]=4 97 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|0,0,2]=3 116 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|0,1,1]=3 117 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|1,1,1]=4 120 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|3,0,0]=4 133 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|1,0,2]=4 136 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|1,1,1]=4 151 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|1,0,0]=2 159 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|1,1,0]=3 160 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|1,0,0]=2 161 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,0,0]=3 164 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|3,0,0]=4 165 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|3,0,0]=4 166 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|3,0,0]=4 167 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|3,0,0]=4 168 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|1,0,0]=2 169 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|0,0,0]=1 170 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,0]=2 172 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,0,2]=4 174 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|1,0,0]=2 175 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|3,0,0]=4 176 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|2,1,0]=4 181 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|2,1,0]=4 187 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|1,0,2]=4 188 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|1,0,1]=3 190 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|1,0,0]=2 215 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,0,2]=4 218 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,0,0,0,0|3,0,0]=4 219 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,0,0,0,0|3,0,0]=4 220 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,1,0,0,0,0|1,0,2]=4 231 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,1,0,0,0,0|1,0,0]=2 233 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,1,0,0,0,0|0,0,2]=3 240 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,1,0,0,0,0|0,0,2]=3 241 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,0,0,0,0|0,0,1]=2 242 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,0,0,0,0|1,0,1]=3 249 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|1,0,2]=4 255 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|1,0,2]=4 256 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|1,0,2]=4 257 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,0,0]=2 260 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|1,0,0]=2 261 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|3,0,0]=4 271 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|3,0,0]=4 272 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|3,0,0]=4 274 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|3,0,0]=4 276 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,1,0,0,0,0|1,0,1]=3 277 B6R0.3 CN(C)C(=S)S[Na] CNP0002679.0 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|2,0,0]=3 284 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|2,0,0]=3 285 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|2,0,0]=3 286 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,0,0,0,0|1,1,1]=4 295 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,1,0,0,0,0|3,0,0]=4 297 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|2,0,0]=3 300 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|3,0,0]=4 303 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|2,0,0]=3 304 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|2,1,0]=4 305 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|2,0,0]=3 308 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,0,0,0,0|1,0,0]=2 313 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,1,0,0,0,0|1,1,1]=4 314 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,1,0,0,0,0|1,0,2]=4 315 B6R0.4 CC(C)COC=O CNP0232692.0 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.4 CC(C)CON=O CNP0224607.0 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.4 CC(C)NCCO CNP0141461.0 [0,1,0,0,0,0|1,0,0]=2 320 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,0,0,0,0|1,0,0]=2 321 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|3,0,0]=4 323 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|3,0,0]=4 324 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,0,0,0,0|2,0,0]=3 325 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,0,0,0,0|3,0,0]=4 326 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|3,0,0]=4 328 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|3,0,0]=4 329 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.4 CCCSC(C)S CNP0609747.0 [0,1,0,0,0,0|3,0,0]=4 332 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,1,0,0,0,0|3,0,0]=4 333 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,0,0,0,0|2,0,0]=3 334 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,0,0,0,0|3,0,0]=4 335 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,0,0,0,0|2,0,0]=3 336 B6R0.4 CCSSC(C)C CNP0003135.0 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,0,0,0,0|1,0,0]=2 340 B6R0.4 COCCN(C)C CNP0429553.0 [0,1,0,0,0,0|0,0,0]=1 341 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,0,0,0,0|2,1,0]=4 342 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,0,0,0,0|2,1,0]=4 343 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,1,0,0,0,0|1,0,1]=3 344 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,1,0,0,0,0|3,0,0]=4 346 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,1,0,0,0,0|3,0,0]=4 349 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,0,0,0,0|3,0,0]=4 350 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,0,0,0,0|3,0,0]=4 351 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,0,0,0,0|3,0,0]=4 352 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,1,0,0,0,0|3,0,0]=4 353 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,1,0,0,0,0|3,0,0]=4 355 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,1,0,0,0,0|1,0,0]=2 356 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,1,0,0,0,0|1,0,1]=3 359 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,1,0,0,0,0|3,0,0]=4 360 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,1,0,0,0,0|0,1,0]=2 362 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,1,0,0,0,0|0,1,0]=2 363 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,1,0,0,0,0|0,0,3]=4 364 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,1,0,0,0,0|0,0,1]=2 365 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,1,0,0,0,0|0,0,1]=2 366 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,1,0,0,0,0|0,1,1]=3 367 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,1,0,0,0,0|0,0,1]=2 368 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,1,0,0,0,0|0,0,1]=2 369 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,1,0,0,0,0|1,0,0]=2 370 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [0,1,0,0,0,0|2,1,0]=4 371 B6R0.5 O=S(=O)(Cl)CCO CNP0242447.0 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [0,1,0,0,0,0|3,0,0]=4 373 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|2,0,1]=4 374 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|2,0,1]=4 375 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|1,0,1]=3 376 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|1,0,1]=3 377 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|2,1,0]=4 378 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|1,0,2]=4 379 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|2,0,0]=3 380 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|3,0,0]=4 381 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,1,0,0|1,0,1]=3 382 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|1,0,0]=2 383 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|3,0,0]=4 384 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|1,1,0]=3 385 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|1,0,2]=4 386 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,1,0,0|2,0,0]=3 387 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|3,0,0]=4 388 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|2,0,0]=3 389 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|3,0,0]=4 390 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|2,1,0]=4 391 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|3,0,0]=4 392 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|3,0,0]=4 393 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|3,0,0]=4 394 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|3,0,0]=4 395 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,0,1,0,0|2,0,0]=3 396 B6R1.3 NCCN1CC1 CNP0522628.0 [0,0,0,1,0,0|1,0,0]=2 397 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,1,0,0|3,0,0]=4 398 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|2,0,0]=3 399 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|2,0,0]=3 400 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,0,0,1,0,0|2,0,0]=3 401 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,0,0,1,0,0|1,0,0]=2 402 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,0,0,1,0,0|1,1,0]=3 403 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 404 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 405 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 407 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|0,0,2]=4 408 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|1,0,1]=4 409 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,2]=4 411 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 415 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,2]=4 416 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 417 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 418 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|1,0,0]=3 419 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 420 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 421 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,0]=2 422 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,0]=3 423 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,1]=4 424 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|0,0,0]=2 425 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,0]=3 426 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,0]=3 427 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,0]=3 428 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,0]=3 429 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|0,0,2]=4 430 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|1,0,0]=3 431 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 432 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 433 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 434 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 435 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 436 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|1,0,1]=4 437 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|0,0,2]=4 438 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|1,0,0]=3 439 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|0,0,0]=2 440 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|0,1,0]=3 441 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|0,0,1]=3 442 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,1]=4 443 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,0]=3 444 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,0]=3 445 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,0]=3 446 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,0]=3 447 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|1,1,0]=4 448 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|1,0,1]=4 449 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|1,0,1]=4 450 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|2,0,0]=4 452 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|1,0,0]=3 453 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|2,0,0]=4 454 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|2,0,0]=4 455 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|1,0,0]=3 456 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|1,1,0]=4 457 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|0,0,0]=2 458 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|1,0,0]=3 459 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,1,0]=4 460 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|0,1,0]=3 461 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|2,0,0]=4 462 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|0,1,0]=3 463 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|0,1,0]=3 464 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|1,1,0]=4 465 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,0]=3 466 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 467 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,0]=3 468 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 469 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 470 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|2,0,0]=4 471 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|1,0,1]=4 472 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.3 CC(=NO)CO CNP0284253.0 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|1,0,0]=3 475 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|1,0,0]=3 477 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|2,0,0]=4 480 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|2,0,0]=4 481 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|2,0,0]=4 482 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|1,0,0]=3 483 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|2,0,0]=4 486 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|2,0,0]=4 489 B5R0.3 CCC(S)CS CNP0197461.0 [1,1,0,0,0,0|2,0,0]=4 490 B5R0.3 CCC(S)SC CNP0609154.0 [1,1,0,0,0,0|2,0,0]=4 491 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|1,0,0]=3 498 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.3 CC[S](C)CC CNP0523180.0 [1,1,0,0,0,0|1,0,0]=3 500 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|0,0,1]=3 501 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|1,0,0]=3 502 B5R0.3 COC(C)OC CNP0122626.0 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|2,0,0]=4 504 B5R0.3 NC(CO)CO CNP0535001.0 [1,1,0,0,0,0|2,0,0]=4 505 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.3 O=C(CO)CO CNP0303926.0 [1,1,0,0,0,0|2,0,0]=4 507 B5R0.3 OCC(O)CCl CNP0334066.0 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.3 OCC(O)CO CNP0259986.0 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|1,1,0]=4 517 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|1,0,0]=3 519 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|1,0,0]=3 520 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|1,0,0]=3 521 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|1,0,0]=3 522 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|2,0,0]=4 523 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|1,1,0]=4 524 B5R0.4 CP(=O)(C)CO CNP0140331.0 [1,1,0,0,0,0|0,1,0]=3 525 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|2,0,0]=4 532 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|2,0,0]=4 533 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|0,0,1]=3 534 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|2,0,0]=4 535 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|2,0,0]=4 536 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|1,0,1]=4 537 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|1,0,0]=3 538 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|0,0,0]=2 539 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|1,0,0]=3 540 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|1,0,0]=3 541 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|2,0,0]=4 544 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,1,0,0,0,0|2,0,0]=4 545 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,1,0,0,0,0|0,1,1]=4 547 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|2,0,0]=4 548 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|2,0,0]=4 549 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|2,0,0]=4 550 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|2,0,0]=4 551 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|1,0,1]=4 552 B5R0.2 CC#CCCO CNP0515871.0 [1,1,0,0,0,0|1,0,0]=3 553 B5R0.2 CC=C=CCO CNP0426440.0 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|2,0,0]=4 555 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.2 CCC#CCO CNP0076027.0 [1,1,0,0,0,0|1,0,1]=4 557 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.2 CCC=NNC CNP0543863.0 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|1,0,1]=4 561 B5R0.2 CCCCC#N CNP0357663.0 [1,1,0,0,0,0|2,0,0]=4 562 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.2 CCCCCBr CNP0018690.0 [1,1,0,0,0,0|2,0,0]=4 564 B5R0.2 CCCCCC CNP0269021.0 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.2 CCCCCI CNP0017763.0 [1,1,0,0,0,0|2,0,0]=4 566 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|2,0,0]=4 567 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.2 CCCCCS CNP0260876.0 [1,1,0,0,0,0|1,1,0]=4 569 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|1,0,0]=3 571 B5R0.2 CCCCSC CNP0562965.0 [1,1,0,0,0,0|1,1,0]=4 572 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.2 CCCSCC CNP0316215.0 [1,1,0,0,0,0|2,0,0]=4 574 B5R0.2 CCCSSC CNP0296815.0 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.2 CCNCCN CNP0281269.0 [1,1,0,0,0,0|1,0,0]=3 576 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|0,0,0]=2 577 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|1,0,0]=3 578 B5R0.2 CCSCCN CNP0506731.0 [1,1,0,0,0,0|2,0,0]=4 579 B5R0.2 CNCCNC CNP0480039.0 [1,1,0,0,0,0|1,0,0]=3 580 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|1,0,0]=3 581 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|2,0,0]=4 583 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|1,0,0]=3 584 B5R0.2 N#CCCCO CNP0358912.0 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.2 NCCCCN CNP0116270.0 [1,1,0,0,0,0|2,0,0]=4 586 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|1,0,0]=3 587 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|1,0,0]=3 589 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|1,0,0]=3 590 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|1,0,0]=3 591 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,2,0,0,0,0|1,0,0]=3 600 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,2,0,0,0,0|0,0,2]=4 609 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,2,0,0,0,0|0,0,1]=3 611 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|2,0,0]=4 615 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|2,0,0]=4 621 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|1,0,0]=3 629 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.7 CN(CCCl)CCCl CNP0187159.0 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,2,0,0,0,0|2,0,0]=4 662 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.12 CCN(CC)CCCl CNP0239247.0 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.12 CCN(CC)CCO CNP0354017.0 [0,2,0,0,0,0|0,0,0]=2 669 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,2,0,0,0,0|0,0,0]=2 674 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,2,0,0,0,0|0,1,1]=4 675 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,2,0,0,0,0|0,0,2]=4 678 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,2,0,0,0,0|0,0,2]=4 679 B7R0.9 C[N+](C)(C)CC(O)O CNP0500510.0 [0,2,0,0,0,0|0,0,1]=3 680 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,2,0,0,0,0|0,0,2]=4 688 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,2,0,0,0,0|0,0,1]=3 689 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,2,0,0,0,0|1,0,1]=4 690 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,2,0,0,0,0|1,0,0]=3 695 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [0,2,0,0,0,0|1,1,0]=4 696 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,2,0,0,0,0|1,0,0]=3 698 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,2,0,0,0,0|1,0,1]=4 712 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,2,0,0,0,0|1,0,1]=4 714 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,2,0,0,0,0|1,0,1]=4 715 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,2,0,0,0,0|1,0,1]=4 716 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,2,0,0,0,0|2,0,0]=4 718 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,2,0,0,0,0|2,0,0]=4 721 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,2,0,0,0,0|0,0,2]=4 722 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.8 C=CCC[N+](C)(C)C CNP0507277.0 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [0,2,0,0,0,0|2,0,0]=4 730 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [0,2,0,0,0,0|1,1,0]=4 732 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [0,2,0,0,0,0|2,0,0]=4 733 B7R0.8 COCCC(C)(C)S CNP0210797.0 [0,2,0,0,0,0|1,0,0]=3 734 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|1,0,0]=3 735 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|2,0,0]=4 736 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|2,0,0]=4 737 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,1,0,0|2,0,0]=4 738 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,1]=4 739 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,0,0]=3 740 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|2,0,0]=4 741 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|2,0,0]=4 742 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|2,0,0]=4 743 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,0,0]=3 744 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|1,0,1]=4 745 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,1]=4 746 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|1,0,1]=4 747 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|2,0,0]=4 748 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,0]=3 749 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|1,0,0]=3 750 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|1,1,0]=4 751 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|1,1,0]=4 752 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|1,0,0]=3 753 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,1,0,0|0,1,0]=3 754 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,1,0,0|1,0,1]=4 756 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.1 O=NN1CCSC1 CNP0462467.0 [0,1,0,1,0,0|1,1,0]=4 758 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|1,0,1]=4 760 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|1,0,1]=4 761 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|2,0,0]=4 763 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|1,0,1]=4 764 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|1,0,1]=4 765 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|2,0,0]=4 766 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|2,0,0]=4 767 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|2,0,0]=4 768 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|2,0,0]=4 769 B7R1.2 [O-][S@+]1C[C@@H](CS1)O CNP0533380.4 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.2 [O-][S@+]1C[C@H](CS1)O CNP0533380.3 [0,1,0,1,0,0|2,0,0]=4 771 B7R1.2 [O-][S@@+]1C[C@@H](CS1)O CNP0533380.1 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.2 [O-][S@@+]1C[C@H](CS1)O CNP0533380.2 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.2 [O-][S@H+]1C[C@@H](CS1)O CNP0479005.2 [0,1,0,1,0,0|2,0,0]=4 774 B7R1.2 [O-][S@H+]1C[C@H](CS1)O CNP0479005.1 [0,1,0,1,0,0|2,0,0]=4 775 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|2,0,0]=4 776 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,1,0,1,0,0|1,0,0]=3 781 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,1,0,0|0,0,0]=2 782 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|2,0,0]=4 783 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|2,0,0]=4 784 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|2,0,0]=4 785 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|2,0,0]=4 786 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,1,0,0|2,0,0]=4 787 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|1,0,1]=4 788 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|2,0,0]=4 789 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|2,0,0]=4 792 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,1,0,1,0,0|0,0,1]=3 795 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|2,0,0]=4 800 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|2,0,0]=4 801 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,1,0,0|2,0,0]=4 805 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,1,0,0|2,0,0]=4 806 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,1,0,0|2,0,0]=4 807 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|2,0,0]=4 808 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|2,0,0]=4 809 B7R1.7 CC=CCN1CC1 CNP0584372.0 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|2,0,0]=4 812 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,1,0,0|1,1,0]=4 813 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|2,0,0]=4