0 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C=CCC=CC CNP0292090.0 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=CCCCC CNP0264947.0 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C=CCCCO CNP0003396.0 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.2 C=CCSC#N CNP0391044.0 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 C=CCSCC CNP0261096.0 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.2 C=CCSSC CNP0333880.0 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 C=CSSCC CNP0003136.0 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 CC#CCCO CNP0515871.0 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.2 CC=C=CCO CNP0426440.0 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.2 CC=CCC#N CNP0080085.0 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.2 CC=CCC=O CNP0167409.0 [0,0,0,0,0,0|1,0,3]=4 12 B5R0.2 CC=CCCC CNP0419577.0 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.2 CC=CCCO CNP0253382.0 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.2 CC=CSSC CNP0214071.0 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.2 CCC#CCO CNP0076027.0 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.2 CCC=CC#N CNP0080058.0 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,0,0,0,0|1,0,3]=4 18 B5R0.2 CCC=CCO CNP0239009.0 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.2 CCC=CSC CNP0068372.0 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 CCC=CSO CNP0458289.0 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.2 CCC=NNC CNP0543863.0 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 CCCC=CO CNP0247153.0 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.2 CCCC=NO CNP0071145.0 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.2 CCCCC#N CNP0357663.0 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.2 CCCCC=O CNP0361186.0 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.2 CCCCCBr CNP0018690.0 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 CCCCCC CNP0269021.0 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.2 CCCCCI CNP0017763.0 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.2 CCCCCN CNP0203183.0 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.2 CCCCCO CNP0244882.0 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.2 CCCCCS CNP0260876.0 [0,0,0,0,0,0|1,1,0]=2 32 B5R0.2 CCCCNC CNP0277639.0 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.2 CCCCOC CNP0609033.0 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.2 CCCCSC CNP0562965.0 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.2 CCCN=C=S CNP0077279.0 [0,0,0,0,0,0|2,1,1]=4 37 B5R0.2 CCCOC=O CNP0326097.0 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.2 CCCSC#N CNP0395197.0 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.2 CCCSCC CNP0316215.0 [0,0,0,0,0,0|1,0,0]=1 40 B5R0.2 CCCSSC CNP0296815.0 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.2 CCNCCN CNP0281269.0 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.2 CCNCCO CNP0396370.0 [0,0,0,0,0,0|1,0,0]=1 43 B5R0.2 CCOCC#N CNP0184632.0 [0,0,0,0,0,0|1,1,1]=3 44 B5R0.2 CCOCCO CNP0319988.0 [0,0,0,0,0,0|0,1,0]=1 45 B5R0.2 CCSCCN CNP0506731.0 [0,0,0,0,0,0|1,0,0]=1 46 B5R0.2 CCSSCC CNP0416624.0 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.2 CCSSSC CNP0407481.0 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.2 CNCCNC CNP0480039.0 [0,0,0,0,0,0|4,0,0]=4 49 B5R0.2 COCCOC CNP0144142.0 [0,0,0,0,0,0|4,0,0]=4 50 B5R0.2 CSCCC=O CNP0136743.0 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.2 CSCCCN CNP0348726.0 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.2 CSCCCO CNP0359993.0 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.2 CSCSSC CNP0313036.0 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.2 CSSSSC CNP0225688.0 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.2 N#CCCCO CNP0358912.0 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.2 NCCCC=O CNP0359033.0 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.2 NCCCCN CNP0116270.0 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.2 NCCCCO CNP0514594.0 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.2 O=CC=CCO CNP0112016.0 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.2 OCC=CCO CNP0296138.0 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.2 OCCCCBr CNP0083982.0 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.2 OCCCCCl CNP0079807.0 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.2 OCCCCO CNP0080008.0 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,0,0,0,0,0|3,0,0]=3 65 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|0,0,2]=3 71 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|1,1,1]=4 74 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|0,1,2]=4 75 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|0,0,2]=3 76 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|0,1,2]=4 80 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|0,0,2]=3 83 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|0,0,2]=3 86 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|0,0,0]=1 90 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|0,1,0]=2 91 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|1,1,0]=3 93 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.2 CCN=C=S CNP0601773.0 [1,0,0,0,0,0|1,1,1]=4 96 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|0,1,2]=4 98 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|0,1,0]=2 99 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|1,1,1]=4 100 B4R0.2 CCSC#N CNP0540962.0 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|0,0,0]=1 102 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|1,1,0]=3 106 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|0,1,0]=2 107 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|1,1,0]=3 108 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|0,0,2]=3 109 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|0,0,0]=1 110 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.2 CSSSC CNP0486985.0 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.2 CS[Se]SC CNP0608554.0 [1,0,0,0,0,0|2,1,0]=4 113 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,1,0]=3 118 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,0]=2 121 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|1,0,0]=2 122 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|1,1,0]=3 124 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|1,0,1]=3 140 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|1,1,1]=4 155 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|1,1,1]=4 156 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|1,1,0]=3 157 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|2,1,0]=4 158 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,0,0,0,0|1,1,0]=3 159 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|1,0,1]=3 160 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|1,1,0]=3 173 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,0,0,0,0|1,0,2]=4 176 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.4 C=CCS[S@+](C)[O-] CNP0503783.1 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.4 C=CCS[S@H+](C)[O-] CNP0588299.1 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|1,0,1]=3 181 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|1,0,1]=3 183 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|1,1,1]=4 184 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|1,1,1]=4 185 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|1,1,1]=4 186 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|0,1,1]=3 187 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.4 CC(C)NCCO CNP0141461.0 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,0,0,0,0|0,1,0]=2 196 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,0,0,0,0|1,0,2]=4 197 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,1,0,0,0,0|1,0,1]=3 199 B6R0.4 CC=CCS(=S)O CNP0514093.0 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|1,0,2]=4 202 B6R0.4 CCCCB(O)O CNP0482760.0 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,0,0,0,0|1,0,2]=4 205 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,1,0,0,0,0|1,0,1]=3 208 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|1,1,1]=4 212 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.4 CCCSC(C)S CNP0609747.0 [0,1,0,0,0,0|1,0,0]=2 215 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,0,0,0,0|0,1,2]=4 219 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,1,0,0,0,0|0,1,1]=3 220 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,0,0,0,0|0,1,0]=2 221 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.4 CCSSC(C)C CNP0003135.0 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,1,0,0,0,0|2,1,0]=4 241 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.6 C#CCCCCO CNP0289179.0 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.6 C=CCCC=CC CNP0426808.0 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.6 C=CCCCCC CNP0226691.0 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.6 C=CCCCCO CNP0162421.0 [0,1,0,0,0,0|1,0,1]=3 246 B6R0.6 C=CCCSC#N CNP0532187.0 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.6 C=CCOCCO CNP0248950.0 [0,1,0,0,0,0|0,1,1]=3 248 B6R0.6 C=CCSCC=C CNP0303954.0 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.6 C=CCSCCC CNP0150756.0 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.6 C=CCSSSC CNP0338885.0 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.6 C=COCCCC CNP0077236.0 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.6 CC#CC=CCO CNP0610509.0 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.6 CC#CCCCO CNP0320046.0 [0,1,0,0,0,0|1,0,1]=3 254 B6R0.6 CC=CC=CCO CNP0292375.0 [0,1,0,0,0,0|1,0,2]=4 255 B6R0.6 CC=CCCC=O CNP0056069.0 [0,1,0,0,0,0|1,0,2]=4 256 B6R0.6 CC=CCCCC CNP0158475.0 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.6 CC=CCCCO CNP0309139.0 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.6 CC=CCSCC CNP0575773.0 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.6 CC=CSCCC CNP0320861.0 [0,1,0,0,0,0|1,0,1]=3 260 B6R0.6 CC=CSSCC CNP0418756.0 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.6 CCC#CCCO CNP0170517.0 [0,1,0,0,0,0|1,0,0]=2 262 B6R0.6 CCC=C=CCC CNP0518397.0 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.6 CCC=CCC#N CNP0106706.0 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.6 CCC=CCC=O CNP0227189.0 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.6 CCC=CCCC CNP0391454.0 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.6 CCC=CCCO CNP0255718.0 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.6 CCCC#CCO CNP0314465.0 [0,1,0,0,0,0|1,0,1]=3 268 B6R0.6 CCCC=CCO CNP0254124.0 [0,1,0,0,0,0|1,0,1]=3 269 B6R0.6 CCCC=CNO CNP0162409.0 [0,1,0,0,0,0|1,0,2]=4 270 B6R0.6 CCCCC=CO CNP0511187.0 [0,1,0,0,0,0|1,0,1]=3 271 B6R0.6 CCCCC=NO CNP0149695.0 [0,1,0,0,0,0|1,0,1]=3 272 B6R0.6 CCCCCC#N CNP0412353.0 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.6 CCCCCC=O CNP0304790.0 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.6 CCCCCCC CNP0290800.0 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.6 CCCCCCN CNP0213933.0 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.6 CCCCCCO CNP0317600.0 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.6 CCCCCCS CNP0167948.0 [0,1,0,0,0,0|1,1,0]=3 278 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.6 CCCCCNC CNP0276164.0 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.6 CCCCCOC CNP0358174.0 [0,1,0,0,0,0|1,0,0]=2 281 B6R0.6 CCCCCSC CNP0293012.0 [0,1,0,0,0,0|1,1,0]=3 282 B6R0.6 CCCCCSS CNP0228282.0 [0,1,0,0,0,0|1,1,0]=3 283 B6R0.6 CCCCN=C=S CNP0328773.0 [0,1,0,0,0,0|1,1,1]=4 284 B6R0.6 CCCCNC=O CNP0082472.0 [0,1,0,0,0,0|1,0,2]=4 285 B6R0.6 CCCCOC=O CNP0282325.0 [0,1,0,0,0,0|1,0,2]=4 286 B6R0.6 CCCCON=O CNP0003508.0 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.6 CCCCSSC CNP0532819.0 [0,1,0,0,0,0|2,0,0]=3 288 B6R0.6 CCCNCCC CNP0129820.0 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.6 CCCOCCO CNP0079853.0 [0,1,0,0,0,0|0,1,0]=2 290 B6R0.6 CCCSCCC CNP0173387.0 [0,1,0,0,0,0|1,0,0]=2 291 B6R0.6 CCCSSCC CNP0322971.0 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.6 CCCSSSC CNP0104471.0 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.6 CCOCCCO CNP0304052.0 [0,1,0,0,0,0|0,1,0]=2 294 B6R0.6 CCOCCCS CNP0267296.0 [0,1,0,0,0,0|0,2,0]=3 295 B6R0.6 CCSCCCO CNP0355297.0 [0,1,0,0,0,0|0,0,0]=1 296 B6R0.6 CCSSCSC CNP0003140.0 [0,1,0,0,0,0|1,1,0]=3 297 B6R0.6 CCSSSCC CNP0196220.0 [0,1,0,0,0,0|2,0,0]=3 298 B6R0.6 CNCCCCN CNP0157274.0 [0,1,0,0,0,0|2,0,0]=3 299 B6R0.6 COCC#CCO CNP0527985.0 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.6 COCCCCO CNP0570905.0 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.6 CSCCCC#N CNP0286857.0 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.6 CSCCCC=O CNP0002814.0 [0,1,0,0,0,0|1,0,2]=4 303 B6R0.6 CSCCCCO CNP0002400.0 [0,1,0,0,0,0|1,0,0]=2 304 B6R0.6 CSCCCN=S CNP0092190.0 [0,1,0,0,0,0|2,1,0]=4 305 B6R0.6 ClCCOCCCl CNP0082891.0 [0,1,0,0,0,0|1,1,0]=3 306 B6R0.6 NCCCCC=O CNP0083786.0 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.6 NCCCCCN CNP0184259.0 [0,1,0,0,0,0|2,0,0]=3 308 B6R0.6 NCCCCCO CNP0032450.0 [0,1,0,0,0,0|1,0,0]=2 309 B6R0.6 NCCOCCN CNP0447264.0 [0,1,0,0,0,0|1,1,0]=3 310 B6R0.6 OCCCCCO CNP0201249.0 [0,1,0,0,0,0|1,0,0]=2 311 B6R0.6 OCCCN=C=S CNP0612043.0 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.6 OCCNCCO CNP0247543.0 [0,1,0,0,0,0|1,0,0]=2 313 B6R0.6 OCCOCCO CNP0333860.0 [0,1,0,0,0,0|0,1,0]=2 314 B6R0.6 OCCSCCO CNP0335773.0 [0,1,0,0,0,0|0,0,0]=1 315 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [0,1,0,0,0,0|1,0,2]=4 316 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,0,1,0,0|2,0,1]=4 317 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,0,1,0,0|2,0,1]=4 318 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,0,1,0,0|1,0,2]=4 319 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,0,0,1,0,0|2,0,1]=4 321 B6R1.1 C1CCCCC1 CNP0220772.0 [0,0,0,1,0,0|2,0,0]=3 322 B6R1.1 C1CCNCC1 CNP0153358.0 [0,0,0,1,0,0|2,0,0]=3 323 B6R1.1 C1CCOCC1 CNP0484551.0 [0,0,0,1,0,0|1,0,0]=2 324 B6R1.1 C1CNCCN1 CNP0389558.0 [0,0,0,1,0,0|2,0,0]=3 325 B6R1.1 C1CNCCN1 CNP0554301.0 [0,0,0,1,0,0|2,0,0]=3 326 B6R1.1 C1COCCN1 CNP0167865.0 [0,0,0,1,0,0|1,0,0]=2 327 B6R1.1 C1COCCO1 CNP0353166.0 [0,0,0,1,0,0|0,1,0]=2 328 B6R1.1 C1COCSC1 CNP0517977.0 [0,0,0,1,0,0|2,0,0]=3 329 B6R1.1 C1CSCCS1 CNP0316640.0 [0,0,0,1,0,0|0,1,0]=2 330 B6R1.1 C1CSCSC1 CNP0221424.0 [0,0,0,1,0,0|2,0,0]=3 331 B6R1.1 C1CSSCS1 CNP0173795.0 [0,0,0,1,0,0|1,1,0]=3 332 B6R1.1 C1CSSSC1 CNP0124260.0 [0,0,0,1,0,0|3,0,0]=4 333 B6R1.1 C1CSSSS1 CNP0579601.0 [0,0,0,1,0,0|2,1,0]=4 334 B6R1.1 C1SCSCS1 CNP0146146.0 [0,0,0,1,0,0|3,0,0]=4 335 B6R1.1 C1SSCSS1 CNP0111847.0 [0,0,0,1,0,0|2,1,0]=4 336 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|2,0,1]=4 337 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|2,0,1]=4 338 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|1,0,1]=3 339 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,1,0,0|2,0,1]=4 340 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|1,0,1]=3 341 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,1,0,0|1,0,1]=3 342 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|2,0,1]=4 343 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,1,0,0|1,0,2]=4 344 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|2,0,0]=3 345 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|1,0,0]=2 346 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|0,1,0]=2 347 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,1,0,0|0,1,0]=2 348 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|3,0,0]=4 349 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,0,0,1,0,0|2,0,1]=4 350 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,0]=3 351 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|1,0,0]=2 352 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,0,0,1,0,0|2,0,1]=4 353 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,1,0,0|1,0,0]=2 354 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|3,0,0]=4 355 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,0,0,1,0,0|2,0,1]=4 356 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,1,0,0|3,0,0]=4 357 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|1,0,2]=4 358 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|2,0,1]=4 359 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|2,0,1]=4 360 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|0,1,2]=4 361 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|0,0,2]=3 362 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,1,0,0|2,0,1]=4 363 B6R1.2 OB1OCCO1 CNP0510130.0 [0,0,0,1,0,0|2,1,0]=4 364 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,1,0,0|2,0,1]=4 365 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|1,1,1]=4 366 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|1,0,0]=2 367 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,1,0,0|1,0,0]=2 368 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|1,1,0]=3 369 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,1,0,0|2,0,1]=4 370 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,1,0,0|2,0,1]=4 371 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|1,1,0]=3 372 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|2,0,0]=3 373 B6R1.2 [O-][S+]1CSSC1 CNP0506954.0 [0,0,0,1,0,0|2,0,1]=4 374 B6R1.2 [O-][S@+]1CSCS1 CNP0581645.1 [0,0,0,1,0,0|2,0,1]=4 375 B6R1.2 [O-][S@@+]1CSCS1 CNP0581645.2 [0,0,0,1,0,0|2,0,1]=4 376 B6R1.2 [O-][S@H+]1CSCS1 CNP0533797.1 [0,0,0,1,0,0|2,0,1]=4 377 B6R1.2 [O-][SH+]1CSSC1 CNP0541582.0 [0,0,0,1,0,0|2,0,1]=4 378 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,0,1,0,0|2,0,0]=3 379 B6R1.3 NCCN1CC1 CNP0522628.0 [0,0,0,1,0,0|2,0,0]=3 380 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|1,0,2]=4 381 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|1,0,0]=2 382 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,1,0,0|1,0,1]=3 383 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|2,0,0]=3 384 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|2,0,1]=4 385 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 386 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 388 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 389 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 390 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,2]=4 391 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,2]=4 392 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|1,0,1]=4 393 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 394 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 395 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 396 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,2]=4 398 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 399 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 400 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,0]=2 401 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 402 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 403 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,0]=2 404 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,0]=3 405 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 407 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|0,1,0]=3 408 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|0,1,0]=3 409 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|0,0,0]=2 410 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|0,0,0]=2 411 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|1,1,0]=4 413 B3R0.1 CSC#N CNP0493602.0 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|1,1,0]=4 416 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 417 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 418 B3R0.1 N#CCS CNP0566385.0 [2,0,0,0,0,0|1,0,1]=4 419 B3R0.1 N#CSO CNP0569271.0 [2,0,0,0,0,0|1,0,1]=4 420 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 421 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,0]=3 422 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,0,0]=3 423 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,1]=4 424 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|0,1,1]=4 425 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|0,0,2]=4 426 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,0]=3 427 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,0]=3 428 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|0,1,0]=3 429 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|0,0,0]=2 430 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|0,1,0]=3 431 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|0,0,2]=4 432 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|0,0,1]=3 434 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|0,0,1]=3 435 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|0,0,2]=4 437 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|0,0,2]=4 438 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,1]=3 439 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,1,1]=4 440 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|0,0,2]=4 441 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|0,0,2]=4 444 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|0,0,0]=2 446 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|0,1,0]=3 447 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|1,0,0]=3 448 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|0,1,0]=3 449 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|0,1,0]=3 450 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,0,2]=4 452 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,2]=4 454 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,2]=4 455 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|0,0,2]=4 456 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|0,0,1]=3 457 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|0,0,2]=4 458 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|0,1,0]=3 460 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|0,0,0]=2 461 B5R0.1 CCCS(=S)O CNP0558357.0 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|0,0,0]=2 463 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|0,0,0]=2 464 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,1,1]=4 466 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|0,1,1]=4 467 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|0,1,0]=3 468 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,1,1]=4 469 B5R0.1 CCSC(=N)N CNP0528738.0 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,0,1]=3 471 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|0,0,0]=2 472 B5R0.1 CCSC(C)S CNP0579398.0 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.1 CN(C)CCCl CNP0328789.0 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.1 CN(C)CCO CNP0230038.0 [1,1,0,0,0,0|1,0,0]=3 475 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|0,1,1]=4 480 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|1,1,0]=4 481 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,0,2]=4 482 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|0,0,1]=3 483 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.1 CSSC(C)C CNP0267830.0 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,0,2]=4 488 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,0,0]=2 489 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,0,0]=2 490 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [1,1,0,0,0,0|2,0,0]=4 491 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|0,1,1]=4 492 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|0,1,1]=4 493 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.1 NCCP(=O)O CNP0498602.0 [1,1,0,0,0,0|2,0,0]=4 495 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,1,0,0,0,0|2,0,0]=4 496 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,1,0,0,0,0|2,0,0]=4 497 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|1,0,1]=4 499 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|0,0,2]=4 502 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|0,0,2]=4 506 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|1,0,0]=3 507 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|0,0,1]=3 508 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|1,0,0]=3 511 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|0,1,0]=3 512 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|0,0,0]=2 517 B5R0.3 CCC(S)CS CNP0197461.0 [1,1,0,0,0,0|0,1,0]=3 518 B5R0.3 CCC(S)SC CNP0609154.0 [1,1,0,0,0,0|1,0,0]=3 519 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|0,0,2]=4 520 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|0,0,0]=2 521 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|0,0,2]=4 523 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|1,0,0]=3 524 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|0,0,0]=2 525 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|2,0,0]=4 526 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,1,0,0,0,0|0,0,1]=3 527 B5R0.3 CC[S](C)CC CNP0523180.0 [1,1,0,0,0,0|0,0,1]=3 528 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|0,1,0]=3 529 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|2,0,0]=4 530 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [1,1,0,0,0,0|2,0,0]=4 531 B5R0.3 NC(CO)CO CNP0535001.0 [1,1,0,0,0,0|1,0,0]=3 532 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.3 O=C(CO)CO CNP0303926.0 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.3 OC(CBr)CBr CNP0017512.0 [1,1,0,0,0,0|2,0,0]=4 536 B5R0.3 OC(CCl)CCl CNP0294183.0 [1,1,0,0,0,0|2,0,0]=4 537 B5R0.3 OC(CI)CI CNP0161531.0 [1,1,0,0,0,0|2,0,0]=4 538 B5R0.3 OC(CP)CP CNP0345632.0 [1,1,0,0,0,0|2,0,0]=4 539 B5R0.3 OCC(O)CCl CNP0334066.0 [1,1,0,0,0,0|1,0,0]=3 540 B5R0.3 OCC(O)CO CNP0259986.0 [1,1,0,0,0,0|1,0,0]=3 541 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,1,0,0,0,0|1,0,0]=3 544 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,1,0,0,0,0|1,0,0]=3 545 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [1,1,0,0,0,0|2,0,0]=4 546 B5R0.3 PCC(P)CP CNP0345634.0 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,2,0,0,0,0|1,0,0]=3 548 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.3 C=C[C@@H](O)CSC#N CNP0229436.1 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,2,0,0,0,0|1,1,0]=4 564 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|0,1,0]=3 565 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|1,0,1]=4 572 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,2,0,0,0,0|1,0,1]=4 576 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,2,0,0,0,0|1,1,0]=4 578 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,2,0,0,0,0|0,1,1]=4 580 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,2,0,0,0,0|0,1,1]=4 581 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [0,2,0,0,0,0|1,1,0]=4 582 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [0,2,0,0,0,0|1,1,0]=4 583 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,2,0,0,0,0|1,1,0]=4 585 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.3 CON=CC(O)CO CNP0082054.0 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|2,0,0]=4 599 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|0,1,1]=4 608 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,2,0,0,0,0|0,1,1]=4 609 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|0,1,1]=4 610 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,2,0,0,0,0|1,1,0]=4 615 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,2,0,0,0,0|1,1,0]=4 616 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|1,1,0]=4 624 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,2,0,0,0,0|0,2,0]=4 626 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|1,1,0]=4 627 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,2,0,0,0,0|1,0,0]=3 628 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,2,0,0,0,0|1,1,0]=4 629 B7R0.7 CN(CCCl)CCCl CNP0187159.0 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.7 COCC(O)COC CNP0241402.0 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,2,0,0,0,0|0,0,1]=3 633 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|2,0,0]=4 645 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.11 CCC[Si](Cl)(Cl)CC CNP0172768.0 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|1,1,0]=4 654 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.12 CCN(CC)CCCl CNP0239247.0 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.12 CCN(CC)CCO CNP0354017.0 [0,2,0,0,0,0|1,0,0]=3 661 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,2,0,0,0,0|1,0,0]=3 662 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,2,0,0,0,0|1,0,0]=3 669 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,2,0,0,0,0|2,0,0]=4 677 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,2,0,0,0,0|2,0,0]=4 679 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,2,0,0,0,0|1,1,0]=4 681 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,2,0,0,0,0|1,1,0]=4 684 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,2,0,0,0,0|2,0,0]=4 685 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,2,0,0,0,0|1,0,0]=3 688 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,2,0,0,0,0|0,1,1]=4 692 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,2,0,0,0,0|0,1,0]=3 693 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,2,0,0,0,0|1,1,0]=4 694 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,2,0,0,0,0|0,1,1]=4 697 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,2,0,0,0,0|0,1,1]=4 698 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,2,0,0,0,0|1,0,1]=4 699 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,2,0,0,0,0|1,0,1]=4 700 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,2,0,0,0,0|1,0,1]=4 701 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,2,0,0,0,0|1,0,1]=4 702 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|1,0,1]=4 704 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,2,0,0,0,0|0,1,0]=3 708 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [0,2,0,0,0,0|1,1,0]=4 710 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.1 C=CCCCCCC CNP0246919.0 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.1 C=CCCCCCO CNP0075956.0 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.1 C=CCSSCCC CNP0170059.0 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.1 CC=CCCCCC CNP0199237.0 [0,2,0,0,0,0|2,0,0]=4 719 B7R0.1 CC=CCSCCC CNP0536250.0 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.1 CC=CSSCCC CNP0421889.0 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.1 CCC#CC=CCO CNP0417978.0 [0,2,0,0,0,0|1,0,1]=4 722 B7R0.1 CCC#CCCCC CNP0602501.0 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,2,0,0,0,0|1,0,1]=4 724 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.1 CCC=CCCCC CNP0084702.0 [0,2,0,0,0,0|2,0,0]=4 726 B7R0.1 CCC=CCCCO CNP0003503.0 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.1 CCCC#CCCC CNP0381743.0 [0,2,0,0,0,0|2,0,0]=4 728 B7R0.1 CCCC=CCCC CNP0541880.0 [0,2,0,0,0,0|2,0,0]=4 729 B7R0.1 CCCC=CCCO CNP0287313.0 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.1 CCCCC=CCO CNP0191159.0 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.1 CCCCCCC#N CNP0186663.0 [0,2,0,0,0,0|2,0,0]=4 732 B7R0.1 CCCCCCC=O CNP0243745.0 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.1 CCCCCCCC CNP0286567.0 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.1 CCCCCCCN CNP0186919.0 [0,2,0,0,0,0|2,0,0]=4 735 B7R0.1 CCCCCCCO CNP0329737.0 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.1 CCCCCCNC CNP0413437.0 [0,2,0,0,0,0|2,0,0]=4 737 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,2,0,0,0,0|1,1,0]=4 738 B7R0.1 CCCCCOC=O CNP0294368.0 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.1 CCCCCOCC CNP0520137.0 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.1 CCCCCON=O CNP0511882.0 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.1 CCCCCSSC CNP0201479.0 [0,2,0,0,0,0|1,1,0]=4 742 B7R0.1 CCCCNCCO CNP0185911.0 [0,2,0,0,0,0|1,0,0]=3 743 B7R0.1 CCCCOCCO CNP0080154.0 [0,2,0,0,0,0|0,1,0]=3 744 B7R0.1 CCCSSCCC CNP0328321.0 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.1 CCCSSSCC CNP0094065.0 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.1 CCCSSSSC CNP0552237.0 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.1 CCNCCCCN CNP0107714.0 [0,2,0,0,0,0|2,0,0]=4 748 B7R0.1 CCNCCNCC CNP0103183.0 [0,2,0,0,0,0|2,0,0]=4 749 B7R0.1 CCSCSSCC CNP0079298.0 [0,2,0,0,0,0|1,0,0]=3 750 B7R0.1 CNCCCCCN CNP0390055.0 [0,2,0,0,0,0|2,0,0]=4 751 B7R0.1 CNCCCCNC CNP0145070.0 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.1 COCCOCCO CNP0610336.0 [0,2,0,0,0,0|0,1,0]=3 753 B7R0.1 CSCCCC=NO CNP0610383.0 [0,2,0,0,0,0|1,0,1]=4 754 B7R0.1 CSCCCCC#N CNP0183103.0 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.1 CSCSSCSC CNP0179583.0 [0,2,0,0,0,0|1,1,0]=4 756 B7R0.1 NCCCCCCN CNP0230906.0 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.1 NCCCCCCO CNP0568466.0 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.1 NCCCCCNO CNP0455910.0 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.1 NCCCNCCS CNP0050642.0 [0,2,0,0,0,0|1,1,0]=4 760 B7R0.1 NCCSSCCN CNP0340186.0 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.1 OCCCCCCBr CNP0593386.0 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.1 OCCCCCCO CNP0080019.0 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.1 OCCCCCCS CNP0154751.0 [0,2,0,0,0,0|1,0,0]=3 764 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,2,0,0,0,0|1,0,1]=4 765 B7R0.1 OCCCSCCO CNP0079791.0 [0,2,0,0,0,0|0,0,0]=2 766 B7R0.1 OCCSSCCO CNP0279278.0 [0,2,0,0,0,0|0,0,0]=2 767 B7R0.1 SCCCCCCS CNP0089642.0 [0,2,0,0,0,0|1,1,0]=4 768 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,2,0,0,0,0|1,0,1]=4 769 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,1]=4 770 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|0,0,2]=4 771 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,2]=4 772 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,0,2]=4 773 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|1,0,1]=4 774 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|1,0,1]=4 775 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|1,0,0]=3 776 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,0]=3 777 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|0,0,0]=2 778 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|1,0,0]=3 779 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|0,0,0]=2 780 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|0,1,0]=3 781 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,1,0,0|1,0,0]=3 782 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|1,0,0]=3 783 B5R1.1 C1SCSS1 CNP0507701.0 [1,0,0,1,0,0|1,1,0]=4 784 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|1,0,0]=3 785 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,0]=3 786 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|1,0,1]=4 787 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|0,0,0]=2 788 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,1,0,0|1,0,1]=4 789 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,1]=4 790 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|1,0,0]=3 791 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|1,0,0]=3 792 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|0,0,0]=2 793 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|0,1,0]=3 794 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|0,1,0]=3 795 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|0,0,0]=2 796 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,1,0,1,0,0|0,1,1]=4 797 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,1,0,0|0,1,0]=3 800 B7R1.1 COC1OCCO1 CNP0076084.0 [0,1,0,1,0,0|0,1,0]=3 801 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,1,0,1,0,0|1,1,0]=4 802 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.1 O=NN1CCSC1 CNP0462467.0 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|0,1,0]=3 806 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|0,1,0]=3 808 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,1,0,1,0,0|0,1,1]=4 809 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,1,0,0|1,0,1]=4 811 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|1,0,1]=4 813 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,1,0,0|1,0,0]=3 817 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|2,0,0]=4 819 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|1,0,0]=3 820 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [0,1,0,1,0,0|1,1,0]=4 821 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|1,0,1]=4 822 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|1,0,1]=4 825 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|0,1,1]=4 826 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|1,0,1]=4 827 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|0,1,1]=4 828 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|2,0,0]=4 829 B7R1.2 [O-][S@+]1C[C@@H](CS1)O CNP0533380.4 [0,1,0,1,0,0|1,0,0]=3 830 B7R1.2 [O-][S@+]1C[C@H](CS1)O CNP0533380.3 [0,1,0,1,0,0|1,0,0]=3 831 B7R1.2 [O-][S@@+]1C[C@@H](CS1)O CNP0533380.1 [0,1,0,1,0,0|1,0,0]=3 832 B7R1.2 [O-][S@@+]1C[C@H](CS1)O CNP0533380.2 [0,1,0,1,0,0|1,0,0]=3 833 B7R1.2 [O-][S@H+]1C[C@@H](CS1)O CNP0479005.2 [0,1,0,1,0,0|1,0,0]=3 834 B7R1.2 [O-][S@H+]1C[C@H](CS1)O CNP0479005.1 [0,1,0,1,0,0|1,0,0]=3 835 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,1,0,1,0,0|2,0,0]=4 836 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,1,0,1,0,0|2,0,0]=4 837 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|2,0,0]=4 839 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|1,0,0]=3 840 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|2,0,0]=4 841 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|1,0,0]=3 842 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,1,0,0|0,1,0]=3 843 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,1,0,1,0,0|2,0,0]=4 844 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,1,0,0|1,0,0]=3 845 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|2,0,0]=4 846 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|2,0,0]=4 847 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,1,0,1,0,0|2,0,0]=4 848 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|0,0,0]=2 849 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|2,0,0]=4 850 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,1,0,1,0,0|2,0,0]=4 853 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,1,0,1,0,0|1,0,1]=4 854 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|1,0,1]=4 855 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,1]=4 857 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,1,0,0|1,0,1]=4 858 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,1,0,1,0,0|1,0,1]=4 859 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,1,0,0|0,1,0]=3 862 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,1,0,0|1,0,1]=4 863 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,1,0,0|1,0,1]=4 864 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,1,0,1,0,0|1,0,1]=4 865 B7R1.3 [O-][S@+]1CCSSC1 CNP0547050.1 [0,1,0,1,0,0|1,0,1]=4 866 B7R1.3 [O-][S@@H+]1CCSSC1 CNP0603900.1 [0,1,0,1,0,0|1,0,1]=4 867 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|0,1,1]=4 868 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|1,0,1]=4 869 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,1,0,0|0,1,1]=4 870 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|0,1,0]=3 871 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|0,0,1]=3 873 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|0,0,0]=2 874 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|0,1,0]=3 875 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|2,0,0]=4 878 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|1,0,1]=4 882 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,1,0,0|0,0,0]=2 885 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,1,0,0|0,0,0]=2 886 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|1,0,1]=4 887 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,1]=4 888 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,1,0,0|1,0,0]=3 889 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,1,0,0|0,1,0]=3 890 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,1,0,0|0,1,0]=3 891 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,1,0,0|0,1,0]=3 892 B7R1.4 SC1CCCC1S CNP0098071.0 [0,1,0,1,0,0|1,1,0]=4 893 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,1,0,1,0,0|1,0,0]=3 894 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|1,0,0]=3 896 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|2,0,0]=4 897 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,1,0,1,0,0|1,0,0]=3 898 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|2,0,0]=4 899 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|1,0,0]=3 900 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,1,0,0|1,0,0]=3 901 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,1,0,0|2,0,0]=4 902 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|0,0,2]=4 903 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|1,0,1]=4 904 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|1,0,1]=4 905 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|1,1,0]=4 906 B7R1.24 C1CCCCCC1 CNP0223227.0 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.24 C1COCOCO1 CNP0076298.0 [0,1,0,1,0,0|0,1,0]=3 908 B7R1.24 C1CSSSCS1 CNP0233647.0 [0,1,0,1,0,0|1,1,0]=4 909 B7R1.24 C1SCSSCS1 CNP0225166.0 [0,1,0,1,0,0|1,1,0]=4 910 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|2,0,0]=4