0 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C=CCCCC CNP0264947.0 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=CCSCC CNP0261096.0 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 C=CCSSC CNP0333880.0 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C=CSSCC CNP0003136.0 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.2 CC#CCCO CNP0515871.0 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 CC=C=CCO CNP0426440.0 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 CC=C=COC CNP0519318.0 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 CC=CC=CC CNP0611428.0 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 CC=CCCC CNP0419577.0 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.2 CC=CCCO CNP0253382.0 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 CC=CSSC CNP0214071.0 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.2 CCC#CCO CNP0076027.0 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCC=CC#N CNP0080058.0 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 CCC=CCO CNP0239009.0 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 CCC=CSC CNP0068372.0 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 CCC=CSO CNP0458289.0 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.2 CCC=NNC CNP0543863.0 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 CCCC=CO CNP0247153.0 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 CCCC=NO CNP0071145.0 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.2 CCCCC#N CNP0357663.0 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 CCCCC=O CNP0361186.0 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 CCCCCBr CNP0018690.0 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.2 CCCCCC CNP0269021.0 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.2 CCCCCI CNP0017763.0 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.2 CCCCCN CNP0203183.0 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.2 CCCCCO CNP0244882.0 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.2 CCCCCS CNP0260876.0 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.2 CCCCNC CNP0277639.0 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.2 CCCCOC CNP0609033.0 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.2 CCCCSC CNP0562965.0 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.2 CCCN=C=S CNP0077279.0 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.2 CCCOC=O CNP0326097.0 [0,0,0,0,0,0|2,1,1]=4 35 B5R0.2 CCCSC#N CNP0395197.0 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.2 CCCSCC CNP0316215.0 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.2 CCCSSC CNP0296815.0 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.2 CCNCCN CNP0281269.0 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.2 CCNCCO CNP0396370.0 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.2 CCOCC#N CNP0184632.0 [0,0,0,0,0,0|2,1,1]=4 41 B5R0.2 CCOCCO CNP0319988.0 [0,0,0,0,0,0|2,1,0]=3 42 B5R0.2 CCSCCN CNP0506731.0 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.2 CCSSCC CNP0416624.0 [0,0,0,0,0,0|0,0,0]=0 44 B5R0.2 CCSSSC CNP0407481.0 [0,0,0,0,0,0|1,0,0]=1 45 B5R0.2 CNCCNC CNP0480039.0 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.2 COC=COC CNP0416791.0 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.2 COCCOC CNP0144142.0 [0,0,0,0,0,0|4,0,0]=4 48 B5R0.2 CSC=CSC CNP0075985.0 [0,0,0,0,0,0|4,0,0]=4 49 B5R0.2 CSCCCN CNP0348726.0 [0,0,0,0,0,0|4,0,0]=4 50 B5R0.2 CSCCCO CNP0359993.0 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.2 CSCSSC CNP0313036.0 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.2 CSSSSC CNP0225688.0 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.2 NCCCCN CNP0116270.0 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.2 NCCCCO CNP0514594.0 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.2 OCC=CCO CNP0296138.0 [0,0,0,0,0,0|4,0,0]=4 56 B5R0.2 OCCCCBr CNP0083982.0 [0,0,0,0,0,0|4,0,0]=4 57 B5R0.2 OCCCCCl CNP0079807.0 [0,0,0,0,0,0|4,0,0]=4 58 B5R0.2 OCCCCO CNP0080008.0 [0,0,0,0,0,0|4,0,0]=4 59 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|0,1,2]=4 65 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|0,0,2]=3 66 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|1,1,0]=3 83 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|1,0,0]=2 84 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.2 CCN=C=S CNP0601773.0 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|1,1,1]=4 88 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|0,1,0]=2 89 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|2,1,0]=4 90 B4R0.2 CCSC#N CNP0540962.0 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|0,0,0]=1 92 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|0,0,0]=1 93 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,1,0]=4 96 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|2,1,0]=4 97 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|1,2,0]=4 98 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 CSSSC CNP0486985.0 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.2 CS[Se]SC CNP0608554.0 [1,0,0,0,0,0|1,1,0]=3 103 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.2 SSSSS CNP0541960.0 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|1,1,0]=3 133 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,0,0,0,0|2,1,0]=4 134 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,0,0,0,0|2,1,0]=4 135 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|1,1,0]=3 136 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|2,1,0]=4 137 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.4 CC(C)NCCO CNP0141461.0 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,0,0,0,0|2,1,0]=4 153 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|1,1,1]=4 163 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.4 CCCSC(C)S CNP0609747.0 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,0,0,0,0|1,1,0]=3 169 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.4 CCSSC(C)C CNP0003135.0 [0,1,0,0,0,0|0,0,0]=1 171 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.6 C=CCCCCC CNP0226691.0 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.6 C=CCSCCC CNP0150756.0 [0,1,0,0,0,0|1,0,1]=3 179 B6R0.6 C=CCSSSC CNP0338885.0 [0,1,0,0,0,0|1,0,1]=3 180 B6R0.6 C=CCSSSS CNP0003499.0 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.6 CC#CCCCO CNP0320046.0 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.6 CC#CSC=CC CNP0514607.0 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.6 CC=CC=CCC CNP0608489.0 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.6 CC=CCCCC CNP0158475.0 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.6 CC=CCCCO CNP0309139.0 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.6 CC=CCSCC CNP0575773.0 [0,1,0,0,0,0|1,0,1]=3 187 B6R0.6 CC=CSC=CC CNP0002507.0 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.6 CC=CSCCC CNP0320861.0 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.6 CC=CSSCC CNP0418756.0 [0,1,0,0,0,0|0,0,1]=2 190 B6R0.6 CC=CSSSC CNP0265306.0 [0,1,0,0,0,0|1,0,1]=3 191 B6R0.6 CCC#CCCO CNP0170517.0 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.6 CCC=C=CCC CNP0518397.0 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.6 CCC=CCC#N CNP0106706.0 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.6 CCC=CCC=O CNP0227189.0 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.6 CCC=CCCC CNP0391454.0 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.6 CCC=CCCO CNP0255718.0 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.6 CCCC#CCO CNP0314465.0 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.6 CCCC=CCO CNP0254124.0 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.6 CCCCCC#N CNP0412353.0 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.6 CCCCCC=O CNP0304790.0 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.6 CCCCCCC CNP0290800.0 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.6 CCCCCCN CNP0213933.0 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.6 CCCCCCO CNP0317600.0 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.6 CCCCCCS CNP0167948.0 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.6 CCCCCNC CNP0276164.0 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.6 CCCCCOC CNP0358174.0 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.6 CCCCCSC CNP0293012.0 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.6 CCCCCSS CNP0228282.0 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.6 CCCCSSC CNP0532819.0 [0,1,0,0,0,0|2,0,0]=3 211 B6R0.6 CCCNCCC CNP0129820.0 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.6 CCCOCCO CNP0079853.0 [0,1,0,0,0,0|1,1,0]=3 213 B6R0.6 CCCSCCC CNP0173387.0 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.6 CCCSSCC CNP0322971.0 [0,1,0,0,0,0|0,0,0]=1 215 B6R0.6 CCCSSSC CNP0104471.0 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.6 CCOCCCO CNP0304052.0 [0,1,0,0,0,0|1,1,0]=3 217 B6R0.6 CCOCCCS CNP0267296.0 [0,1,0,0,0,0|1,1,0]=3 218 B6R0.6 CCSCCCO CNP0355297.0 [0,1,0,0,0,0|1,0,0]=2 219 B6R0.6 CCSSCSC CNP0003140.0 [0,1,0,0,0,0|0,0,0]=1 220 B6R0.6 CCSSSCC CNP0196220.0 [0,1,0,0,0,0|0,0,0]=1 221 B6R0.6 CNCCCCN CNP0157274.0 [0,1,0,0,0,0|3,0,0]=4 222 B6R0.6 COCC#CCO CNP0527985.0 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.6 COCCCCO CNP0570905.0 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.6 CSCCCCO CNP0002400.0 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.6 CSSSSSC CNP0351120.0 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.6 ClCCOCCCl CNP0082891.0 [0,1,0,0,0,0|2,1,0]=4 227 B6R0.6 NCCCCCN CNP0184259.0 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.6 NCCCCCO CNP0032450.0 [0,1,0,0,0,0|3,0,0]=4 229 B6R0.6 NCCOCCN CNP0447264.0 [0,1,0,0,0,0|2,1,0]=4 230 B6R0.6 OCCCCCO CNP0201249.0 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.6 OCCNCCO CNP0247543.0 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.6 OCCOCCO CNP0333860.0 [0,1,0,0,0,0|2,1,0]=4 233 B6R0.6 OCCSCCO CNP0335773.0 [0,1,0,0,0,0|2,0,0]=3 234 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,0,1,0,0|3,0,0]=4 236 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,0,0,1,0,0|2,0,1]=4 237 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,0,1,0,0|1,1,1]=4 238 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,0,1,0,0|0,0,2]=3 239 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,0,0,1,0,0|2,0,0]=3 240 B6R1.1 C1CCCCC1 CNP0220772.0 [0,0,0,1,0,0|2,0,0]=3 241 B6R1.1 C1CCNCC1 CNP0153358.0 [0,0,0,1,0,0|2,0,0]=3 242 B6R1.1 C1CCOCC1 CNP0484551.0 [0,0,0,1,0,0|1,1,0]=3 243 B6R1.1 C1CNCCN1 CNP0389558.0 [0,0,0,1,0,0|3,0,0]=4 244 B6R1.1 C1CNCCN1 CNP0554301.0 [0,0,0,1,0,0|3,0,0]=4 245 B6R1.1 C1COCCN1 CNP0167865.0 [0,0,0,1,0,0|2,1,0]=4 246 B6R1.1 C1COCCO1 CNP0353166.0 [0,0,0,1,0,0|2,1,0]=4 247 B6R1.1 C1COCSC1 CNP0517977.0 [0,0,0,1,0,0|2,0,0]=3 248 B6R1.1 C1CSCCS1 CNP0316640.0 [0,0,0,1,0,0|2,0,0]=3 249 B6R1.1 C1CSCSC1 CNP0221424.0 [0,0,0,1,0,0|2,0,0]=3 250 B6R1.1 C1CSSCS1 CNP0173795.0 [0,0,0,1,0,0|1,0,0]=2 251 B6R1.1 C1CSSSC1 CNP0124260.0 [0,0,0,1,0,0|1,0,0]=2 252 B6R1.1 C1CSSSS1 CNP0579601.0 [0,0,0,1,0,0|2,0,0]=3 253 B6R1.1 C1SCSCS1 CNP0146146.0 [0,0,0,1,0,0|3,0,0]=4 254 B6R1.1 C1SSCSS1 CNP0111847.0 [0,0,0,1,0,0|2,0,0]=3 255 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|2,0,1]=4 257 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|1,0,2]=4 258 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,1,0,0|0,0,2]=3 259 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|1,1,1]=4 260 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,1,0,0|2,0,1]=4 261 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|2,0,1]=4 263 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|3,0,0]=4 264 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,1,0,0|1,0,1]=3 265 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|1,1,0]=3 267 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|2,1,0]=4 268 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|3,0,0]=4 270 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|3,0,0]=4 271 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,0,0,1,0,0|0,0,2]=3 272 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,0]=3 273 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|1,0,0]=2 274 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,0,0,1,0,0|0,0,2]=3 275 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,1,0,0|2,0,0]=3 276 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|3,0,0]=4 277 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|2,0,1]=4 278 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|2,0,1]=4 279 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|3,0,0]=4 280 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,1,0,0|3,0,0]=4 281 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|3,0,0]=4 282 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|2,0,0]=3 283 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,0,1,0,0|2,0,0]=3 284 B6R1.3 NCCN1CC1 CNP0522628.0 [0,0,0,1,0,0|3,0,0]=4 285 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|1,0,0]=2 286 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|2,0,0]=3 287 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 288 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 289 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 290 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 291 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,2]=4 292 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 293 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 294 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|1,0,1]=4 295 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 296 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|1,0,1]=4 297 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|1,0,1]=4 298 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 299 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,0]=2 300 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 301 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 302 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|1,0,0]=3 303 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|1,0,0]=3 304 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,1,0]=4 305 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 306 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|0,1,0]=3 307 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|0,2,0]=4 308 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|0,0,0]=2 309 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|0,1,0]=3 310 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 311 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|0,2,0]=4 312 B3R0.1 CSC#N CNP0493602.0 [2,0,0,0,0,0|1,0,1]=4 313 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|0,0,0]=2 314 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|0,2,0]=4 315 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 317 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 318 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|2,0,0]=4 319 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|2,0,0]=4 320 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|2,0,0]=4 323 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|2,0,0]=4 325 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|2,0,0]=4 332 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,1,1]=4 344 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|0,1,0]=3 345 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,1,1]=4 346 B5R0.1 CCSC(=N)N CNP0528738.0 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,0,1]=3 348 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|0,0,0]=2 349 B5R0.1 CCSC(C)S CNP0579398.0 [1,1,0,0,0,0|0,0,0]=2 350 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|2,0,0]=4 351 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|2,0,0]=4 352 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|1,1,0]=4 353 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|1,0,0]=3 355 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.1 CSSC(C)C CNP0267830.0 [1,1,0,0,0,0|0,0,0]=2 357 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|2,0,0]=4 362 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|1,1,0]=4 363 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|1,0,0]=3 364 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|1,0,0]=3 365 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|1,0,0]=3 367 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|2,0,0]=4 368 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.3 CCC(S)CS CNP0197461.0 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.3 CCC(S)SC CNP0609154.0 [1,1,0,0,0,0|1,0,0]=3 373 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|2,0,0]=4 375 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|2,0,0]=4 376 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,1,0,0,0,0|0,0,1]=3 378 B5R0.3 CC[S](C)CC CNP0523180.0 [1,1,0,0,0,0|0,0,1]=3 379 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,2,0,0,0,0|1,1,0]=4 382 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|1,1,0]=4 389 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,2,0,0,0,0|1,1,0]=4 401 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [0,2,0,0,0,0|0,2,0]=4 403 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [0,2,0,0,0,0|0,2,0]=4 404 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,2,0,0,0,0|0,0,0]=2 406 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|1,1,0]=4 412 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,2,0,0,0,0|1,1,0]=4 413 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|1,1,0]=4 414 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|1,1,0]=4 415 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,2,0,0,0,0|0,2,0]=4 418 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,2,0,0,0,0|1,1,0]=4 421 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,2,0,0,0,0|1,1,0]=4 422 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|1,1,0]=4 429 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,2,0,0,0,0|1,1,0]=4 431 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,2,0,0,0,0|1,1,0]=4 432 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,2,0,0,0,0|1,1,0]=4 433 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,2,0,0,0,0|0,2,0]=4 434 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|0,2,0]=4 435 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,2,0,0,0,0|0,2,0]=4 436 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,2,0,0,0,0|0,0,0]=2 437 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,2,0,0,0,0|1,0,0]=3 438 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.10 CC[S+]([O-])[S+]([O-])CC CNP0526843.0 [0,2,0,0,0,0|0,0,2]=4 444 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.11 CCC[Si](Cl)(Cl)CC CNP0172768.0 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|1,1,0]=4 448 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.4 CC=CSSC(C)C CNP0589450.0 [0,2,0,0,0,0|0,0,1]=3 460 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,2,0,0,0,0|0,1,1]=4 474 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,2,0,0,0,0|0,0,0]=2 475 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,2,0,0,0,0|2,0,0]=4 476 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,2,0,0,0,0|1,1,0]=4 477 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,2,0,0,0,0|1,1,0]=4 478 B7R0.4 CSSC=CC(C)C CNP0002674.0 [0,2,0,0,0,0|2,0,0]=4 479 B7R0.4 CSSSC[S@@+](C)[O-] CNP0546334.1 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,2,0,0,0,0|0,0,0]=2 483 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,2,0,0,0,0|2,0,0]=4 484 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,2,0,0,0,0|1,1,0]=4 485 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [0,2,0,0,0,0|2,0,0]=4 486 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [0,2,0,0,0,0|1,0,0]=3 487 B7R0.1 C=CCCCCCC CNP0246919.0 [0,2,0,0,0,0|2,0,0]=4 488 B7R0.1 C=CCSSC=CC CNP0226902.0 [0,2,0,0,0,0|0,0,2]=4 489 B7R0.1 C=CCSSCC=C CNP0311793.0 [0,2,0,0,0,0|0,0,2]=4 490 B7R0.1 C=CCSSCCC CNP0170059.0 [0,2,0,0,0,0|0,0,1]=3 491 B7R0.1 C=CCSSSSC CNP0120884.0 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.1 CC=CCCCCC CNP0199237.0 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.1 CC=CCSCCC CNP0536250.0 [0,2,0,0,0,0|1,0,0]=3 494 B7R0.1 CC=CSSC=CC CNP0204440.0 [0,2,0,0,0,0|0,0,2]=4 495 B7R0.1 CC=CSSCCC CNP0421889.0 [0,2,0,0,0,0|0,0,1]=3 496 B7R0.1 CC=CSSSSC CNP0003491.0 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.1 CCC#CC#CCC CNP0524178.0 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.1 CCC#CCCCC CNP0602501.0 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.1 CCC=CCCCC CNP0084702.0 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.1 CCC=CCCCO CNP0003503.0 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.1 CCCC#CCCC CNP0381743.0 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.1 CCCC=CCCC CNP0541880.0 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.1 CCCC=CCCO CNP0287313.0 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.1 CCCCCCC#N CNP0186663.0 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.1 CCCCCCC=O CNP0243745.0 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.1 CCCCCCCC CNP0286567.0 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.1 CCCCCCCN CNP0186919.0 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.1 CCCCCCCO CNP0329737.0 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.1 CCCCCCNC CNP0413437.0 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.1 CCCCCOCC CNP0520137.0 [0,2,0,0,0,0|1,1,0]=4 513 B7R0.1 CCCCCSSC CNP0201479.0 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.1 CCCCNCCO CNP0185911.0 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.1 CCCCOCCO CNP0080154.0 [0,2,0,0,0,0|1,1,0]=4 516 B7R0.1 CCCSSCCC CNP0328321.0 [0,2,0,0,0,0|0,0,0]=2 517 B7R0.1 CCCSSSCC CNP0094065.0 [0,2,0,0,0,0|0,0,0]=2 518 B7R0.1 CCCSSSSC CNP0552237.0 [0,2,0,0,0,0|1,0,0]=3 519 B7R0.1 CCNCCCCN CNP0107714.0 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.1 CCNCCNCC CNP0103183.0 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.1 CCSCSSCC CNP0079298.0 [0,2,0,0,0,0|0,0,0]=2 522 B7R0.1 CNCCCCCN CNP0390055.0 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.1 CNCCCCNC CNP0145070.0 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.1 COCCOCCO CNP0610336.0 [0,2,0,0,0,0|1,1,0]=4 525 B7R0.1 CSCSSCSC CNP0179583.0 [0,2,0,0,0,0|0,0,0]=2 526 B7R0.1 CSSSSSSC CNP0003496.0 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.1 NCCCCCCN CNP0230906.0 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.1 NCCCCCCO CNP0568466.0 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.1 NCCCNCCS CNP0050642.0 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.1 NCCSSCCN CNP0340186.0 [0,2,0,0,0,0|0,0,0]=2 531 B7R0.1 OCCCCCCBr CNP0593386.0 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.1 OCCCCCCO CNP0080019.0 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.1 OCCCCCCS CNP0154751.0 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.1 OCCCSCCO CNP0079791.0 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.1 OCCSSCCO CNP0279278.0 [0,2,0,0,0,0|0,0,0]=2 536 B7R0.1 SCCCCCCS CNP0089642.0 [0,2,0,0,0,0|2,0,0]=4 537 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,1]=4 538 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,0,2]=4 539 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,1,0,0|0,0,2]=4 540 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|1,0,1]=4 541 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|1,0,1]=4 542 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|1,0,0]=3 543 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,0]=3 544 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|0,1,0]=3 545 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|1,0,0]=3 546 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|0,0,0]=2 547 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|1,1,0]=4 548 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,1,0,0|1,0,0]=3 549 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|0,0,0]=2 550 B5R1.1 C1SCSS1 CNP0507701.0 [1,0,0,1,0,0|1,0,0]=3 551 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|1,0,0]=3 552 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|2,0,0]=4 553 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|2,0,0]=4 554 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,1]=4 555 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|2,0,0]=4 556 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|0,1,0]=3 557 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|0,0,0]=2 558 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,1,0,0|1,1,0]=4 561 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|1,1,0]=4 565 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|1,1,0]=4 567 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|2,0,0]=4 570 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,1,0,0|1,0,0]=3 575 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|1,1,0]=4 576 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|1,1,0]=4 578 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [0,1,0,1,0,0|0,0,0]=2 579 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|1,1,0]=4 580 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|1,1,0]=4 585 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|0,2,0]=4 587 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,1,0,0|0,0,0]=2 588 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,1,0,0|1,1,0]=4 590 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,1,0,1,0,0|0,0,0]=2 593 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,1,0,1,0,0|0,0,0]=2 596 B7R1.3 C[C@H]1CSSSS1 CNP0251938.1 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|1,1,0]=4 602 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,1,0,1,0,0|2,0,0]=4 606 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,1,0,0|2,0,0]=4 607 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.3 [O-][S@+]1CCSSC1 CNP0547050.1 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.3 [O-][S@@H+]1CCSSC1 CNP0603900.1 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|1,1,0]=4 612 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|1,1,0]=4 613 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|1,0,0]=3 615 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|1,0,0]=3 616 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|1,1,0]=4 621 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|0,0,0]=2 622 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|1,1,0]=4 625 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,1,0,1,0,0|1,1,0]=4 629 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,1,0,0|1,0,0]=3 636 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,1,0,0|0,0,0]=2 637 B7R1.14 CC1(CSSS1)C CNP0283830.0 [0,1,0,1,0,0|1,0,0]=3 638 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|1,0,1]=4 639 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|1,1,0]=4 640 B7R1.24 C1CCCCCC1 CNP0223227.0 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.24 C1CSSSCS1 CNP0233647.0 [0,1,0,1,0,0|1,0,0]=3 642 B7R1.24 C1CSSSSS1 CNP0205874.0 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.24 C1SCSSCS1 CNP0225166.0 [0,1,0,1,0,0|1,0,0]=3 644 B7R1.24 C1SSCSSS1 CNP0287255.0 [0,1,0,1,0,0|2,0,0]=4 645 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|2,0,0]=4 646 B7R2.1 C1CC1=C2CC2 CNP0470938.0 [0,0,0,2,0,0|2,0,0]=4