0 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,0,0,0,0|0,0,0]=0 42 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,0,0,0,0,0|1,1,1]=3 43 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,0,0,0,0|0,0,0]=0 45 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,0,0,0,0,0|1,1,1]=3 46 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,0,0,0,0,0|1,0,2]=3 50 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|0,0,2]=3 59 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|0,0,2]=3 63 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|0,1,2]=4 64 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,1,1]=4 66 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|0,0,2]=3 67 B5R0.1 CC(C)C=NO CNP0180575.0 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|0,0,2]=3 70 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|0,0,0]=1 72 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|0,1,0]=2 73 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,0,0,0,0,0|1,1,1]=4 76 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 CC(C)ON=N CNP0504626.0 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|1,1,0]=3 79 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,0,0,0,0|1,1,0]=3 80 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.1 CN(C)CC#N CNP0084986.0 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 CN(C)CCCl CNP0328789.0 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 CN(C)CCO CNP0230038.0 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|0,0,2]=3 108 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CC#CCCO CNP0515871.0 [1,0,0,0,0,0|0,0,2]=3 110 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,0,0,0,0|0,0,3]=4 111 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|0,0,2]=3 113 B5R0.2 CCC#CCO CNP0076027.0 [1,0,0,0,0,0|0,0,2]=3 114 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|0,0,2]=3 115 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,0,2]=3 117 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,0,2]=3 120 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|1,0,0]=2 121 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|1,0,0]=2 122 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|1,0,0]=2 123 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|1,0,0]=2 124 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|0,0,0]=1 125 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|0,1,0]=2 126 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|1,1,1]=4 131 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|1,0,0]=2 137 B5R0.2 CCOCC#N CNP0184632.0 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,0,0]=2 139 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.2 CCSSCC CNP0416624.0 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.2 N#CCCCO CNP0358912.0 [1,0,0,0,0,0|1,0,1]=3 147 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.2 NCCCCN CNP0116270.0 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.2 NCCCCO CNP0514594.0 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.2 OCC=CCO CNP0296138.0 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.2 OCCCCBr CNP0083982.0 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.2 OCCCCCl CNP0079807.0 [1,0,0,0,0,0|1,0,0]=2 153 B5R0.2 OCCCCO CNP0080008.0 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|1,0,2]=4 156 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|0,0,2]=3 157 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|1,0,2]=4 158 B5R0.3 CC(=NO)CO CNP0284253.0 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|0,0,2]=3 161 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|0,0,2]=3 162 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|0,1,2]=4 163 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|1,0,1]=3 164 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,0,1]=3 165 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|0,0,0]=1 168 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,0,0,0,0|0,1,0]=2 169 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|1,0,0]=2 170 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|2,0,0]=3 171 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|1,0,0]=2 172 B5R0.3 CCC(O)CCl CNP0366953.0 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.3 CCC(O)CO CNP0534149.0 [1,0,0,0,0,0|1,0,0]=2 174 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,0,0,0,0|1,1,0]=3 175 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|2,0,0]=3 176 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|0,0,2]=3 177 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|0,0,0]=1 178 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,0,0,0,0|1,0,1]=3 179 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|0,0,2]=3 180 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,0,0,0,0|1,0,0]=2 181 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|0,0,0]=1 182 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|1,0,0]=2 183 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|1,0,0]=2 184 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|1,0,0]=2 185 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|1,0,0]=2 187 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [1,0,0,0,0,0|3,0,0]=4 190 B5R0.3 NC(CO)CO CNP0535001.0 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.3 OC(CBr)CBr CNP0017512.0 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.3 OC(CCl)CCl CNP0294183.0 [1,0,0,0,0,0|3,0,0]=4 196 B5R0.3 OC(CI)CI CNP0161531.0 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.3 OC(CP)CP CNP0345632.0 [1,0,0,0,0,0|3,0,0]=4 198 B5R0.3 OCC(O)CCl CNP0334066.0 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.3 OCC(O)CO CNP0259986.0 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,0,0,0,0,0|2,0,0]=3 203 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,0,0,0,0,0|2,0,0]=3 204 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [1,0,0,0,0,0|3,0,0]=4 205 B5R0.3 PCC(P)CP CNP0345634.0 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,0,0,0,0|1,0,1]=3 211 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,0|0,0,3]=4 212 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|0,0,3]=4 213 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|0,0,2]=3 216 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,0|0,0,1]=2 217 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|1,0,2]=4 218 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,0|0,0,2]=3 219 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,0|0,0,2]=3 220 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,0|0,0,1]=2 221 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,1,0,0,0,0|1,1,1]=4 223 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,1,0,0,0,0|1,1,1]=4 224 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,1,0,0,0,0|2,1,0]=4 230 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|1,0,2]=4 241 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|1,1,1]=4 244 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|1,0,1]=3 245 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|0,0,0]=1 246 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|1,0,0]=2 252 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|1,0,0]=2 253 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|2,0,0]=3 255 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,0,0,0,0|0,1,2]=4 260 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,0,0,0,0|0,1,2]=4 261 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,1,0,0,0,0|2,1,0]=4 262 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,0,0,0,0|1,0,1]=3 263 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [0,1,0,0,0,0|1,0,1]=3 264 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,1,0,0,0,0|0,1,1]=3 265 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [0,1,0,0,0,0|1,0,1]=3 266 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,1,0,0,0,0|2,1,0]=4 270 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,1,0,0,0,0|2,1,0]=4 271 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,1,0,0,0,0|0,0,2]=3 273 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,1,0,0,0,0|0,0,2]=3 275 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|1,0,2]=4 276 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,1,0,0,0,0|1,0,0]=2 277 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|1,0,0]=2 289 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,1,0,0,0,0|2,0,0]=3 291 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|0,0,3]=4 299 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|1,0,1]=3 300 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|1,0,1]=3 302 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|0,0,2]=3 306 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|1,0,0]=2 307 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,1,0,0,0,0|2,0,0]=3 308 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|0,0,0]=1 309 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|1,0,0]=2 310 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,1,0,0,0,0|1,0,0]=2 311 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|0,0,0]=1 312 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|1,0,0]=2 313 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,1,0,0,0,0|1,0,0]=2 314 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|1,1,1]=4 315 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,1,0,0,0,0|2,0,0]=3 316 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,1,0,0,0,0|2,0,0]=3 317 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.7 CN(CCCl)CCCl CNP0187159.0 [0,1,0,0,0,0|2,0,0]=3 319 B7R0.7 COCC(O)COC CNP0241402.0 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,1,0,0,0,0|2,0,0]=3 322 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,1,0,0,0,0|1,0,2]=4 323 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,1,0,0,0,0|1,0,2]=4 324 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|1,0,2]=4 325 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,1]=3 326 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,1]=3 327 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,0,0,0,0|0,0,2]=3 328 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,0,0,0,0|1,0,2]=4 329 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,1,0,0,0,0|1,0,0]=2 330 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,0,0,0,0|1,0,0]=2 332 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,0,0,0,0|1,0,0]=2 333 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,1,0,0,0,0|0,0,0]=1 335 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.10 C[C@@H](CO)/[N+](=N\O)/[O-] CNP0110510.1 [0,1,0,0,0,0|3,0,0]=4 340 B7R0.10 ClCC(Cl)C(Cl)CCl CNP0383043.0 [0,1,0,0,0,0|3,0,0]=4 341 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,1,0,0,0,0|2,0,0]=3 347 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,1,0,0,0,0|2,0,0]=3 348 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,1,0,0,0,0|2,0,0]=3 349 B7R0.10 O[C@@H](CS)[C@@H](O)CS CNP0085649.2 [0,1,0,0,0,0|2,1,0]=4 350 B7R0.10 O[C@H](CS)[C@@H](O)CS CNP0085649.1 [0,1,0,0,0,0|2,1,0]=4 351 B7R0.10 O[C@H](CS)[C@H](O)CS CNP0085649.3 [0,1,0,0,0,0|2,1,0]=4 352 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,1,0,0,0,0|1,0,0]=2 353 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,1,0,0,0,0|1,0,0]=2 354 B7R0.11 CCC[Si](Cl)(Cl)CC CNP0172768.0 [0,1,0,0,0,0|2,1,0]=4 355 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,1,0,0,0,0|2,0,0]=3 358 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.11 [C-]#[N+]CC(C)(C)OC CNP0586088.0 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,1,0,0,0,0|0,0,3]=4 361 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,1,0,0,0,0|1,0,1]=3 362 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,1,0,0,0,0|3,0,0]=4 363 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,1,0,0,0,0|1,0,2]=4 364 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,1,0,0,0,0|1,0,0]=2 365 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,1,0,0,0,0|2,0,0]=3 366 B7R0.12 CCN(CC)CCCl CNP0239247.0 [0,1,0,0,0,0|2,0,0]=3 367 B7R0.12 CCN(CC)CCO CNP0354017.0 [0,1,0,0,0,0|1,0,0]=2 368 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,1,0,0,0,0|3,0,0]=4 370 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|1,0,2]=4 371 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|1,0,0]=2 372 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,0,0,1,0,0|3,0,0]=4 373 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,0,0,1,0,0|2,1,0]=4 374 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,0,0,1,0,0|3,0,0]=4 375 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,0,0,1,0,0|3,0,0]=4 376 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,0,0,1,0,0|3,0,0]=4 377 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,0,0,1,0,0|3,0,0]=4 378 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,0,0,1,0,0|3,0,0]=4 379 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|0,0,2]=3 380 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|0,0,2]=3 381 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|1,0,2]=4 382 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|0,0,0]=1 383 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,1,0,0|2,0,0]=3 384 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|1,0,2]=4 385 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|1,0,2]=4 386 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,0|1,0,0]=2 387 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,1,0,0|2,0,0]=3 388 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|1,0,2]=4 389 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|1,0,2]=4 390 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|1,0,2]=4 391 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|2,0,1]=4 392 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|2,0,1]=4 393 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|2,0,1]=4 394 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|2,0,1]=4 395 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|2,0,1]=4 396 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|2,0,1]=4 397 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.2 [O-][S@+]1C[C@@H](CS1)O CNP0533380.4 [0,0,0,1,0,0|3,0,0]=4 399 B7R1.2 [O-][S@+]1C[C@H](CS1)O CNP0533380.3 [0,0,0,1,0,0|3,0,0]=4 400 B7R1.2 [O-][S@@+]1C[C@@H](CS1)O CNP0533380.1 [0,0,0,1,0,0|3,0,0]=4 401 B7R1.2 [O-][S@@+]1C[C@H](CS1)O CNP0533380.2 [0,0,0,1,0,0|3,0,0]=4 402 B7R1.2 [O-][S@H+]1C[C@@H](CS1)O CNP0479005.2 [0,0,0,1,0,0|3,0,0]=4 403 B7R1.2 [O-][S@H+]1C[C@H](CS1)O CNP0479005.1 [0,0,0,1,0,0|3,0,0]=4 404 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,1,0,0|2,0,0]=3 405 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|1,0,2]=4 406 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|1,0,2]=4 407 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|1,0,0]=2 408 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|2,0,0]=3 409 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,1,0,0|1,0,0]=2 410 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|1,0,0]=2 411 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,1,0,0|2,0,0]=3 412 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,0,0,1,0,0|1,0,0]=2 413 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|1,0,1]=3 414 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|2,0,0]=3 415 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,1,0,0|2,1,0]=4 416 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,1,0,0|3,0,0]=4 417 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|2,0,0]=3 418 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,1,0,0|2,1,0]=4 419 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,1,0,0|2,0,0]=3 420 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,0,0,1,0,0|3,0,0]=4 421 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|2,0,1]=4 422 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|2,0,1]=4 423 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,1,0,0|2,0,1]=4 424 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|2,0,0]=3 425 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|1,0,2]=4 426 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|1,0,2]=4 427 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,1,0,0|1,0,0]=2 428 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,1,0,0|1,0,0]=2 429 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|1,1,1]=4 430 B7R1.4 CC1SCCC1O CNP0179885.0 [0,0,0,1,0,0|1,1,0]=3 431 B7R1.4 CC1SCCC1S CNP0002610.0 [0,0,0,1,0,0|1,1,0]=3 432 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|2,0,1]=4 433 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|2,0,1]=4 434 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|1,0,0]=2 435 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|1,0,0]=2 436 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|2,0,0]=3 437 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|1,0,1]=3 438 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,1,0,0|1,1,0]=3 439 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|1,0,1]=3 440 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|2,0,1]=4 441 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|1,0,0]=2 442 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|1,0,1]=3 443 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|1,0,1]=3 444 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|2,0,1]=4 445 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|2,0,1]=4 446 B7R1.4 OC1CCCC1O CNP0519159.0 [0,0,0,1,0,0|3,0,0]=4 447 B7R1.4 SC1CCCC1S CNP0098071.0 [0,0,0,1,0,0|3,0,0]=4 448 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|2,0,0]=3 449 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,0,1,0,0|2,0,0]=3 450 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,1,0,0|2,0,0]=3 451 B7R1.22 OC[C@@H](O)C1OO1 CNP0531220.1 [0,0,0,1,0,0|3,0,0]=4 452 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,0,0,1,0,0|2,0,0]=3 453 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|0,0,2]=4 454 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,2]=4 455 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|0,0,2]=4 456 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|0,0,2]=4 457 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,0,2]=4 458 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,0,2]=4 459 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,1]=4 461 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,2]=4 462 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,2]=4 463 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,0]=2 465 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,1,0]=3 466 B4R0.1 CC(N)CN CNP0579261.0 [2,0,0,0,0,0|2,0,0]=4 467 B4R0.1 CC(S)CS CNP0488983.0 [2,0,0,0,0,0|1,1,0]=4 468 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,2]=4 469 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,2]=4 470 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,1]=4 471 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,0]=2 472 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,0]=3 473 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|1,0,0]=3 474 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,0]=2 476 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,0]=3 477 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,0]=2 478 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,0]=3 479 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|1,0,0]=3 480 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|1,1,0]=4 481 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [2,0,0,0,0,0|2,0,0]=4 482 B4R0.1 C[C@@H](N)CO CNP0589695.1 [2,0,0,0,0,0|1,0,0]=3 483 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|1,0,0]=3 486 B4R0.1 C[C@H](N)CO CNP0589695.2 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,1]=4 488 B4R0.1 C[C@H](O)CBr CNP0593715.1 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.1 C[C@H](O)CN CNP0571248.1 [2,0,0,0,0,0|1,0,0]=3 490 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|1,0,0]=3 491 B4R0.1 OCC(Cl)Cl CNP0479097.0 [2,0,0,0,0,0|2,0,0]=4 492 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [2,0,0,0,0,0|2,0,0]=4 493 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|0,0,2]=4 494 B4R0.2 C#CCCO CNP0577358.0 [2,0,0,0,0,0|0,0,2]=4 495 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,2]=4 496 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|0,0,2]=4 497 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 498 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,2]=4 499 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|0,0,2]=4 500 B4R0.2 CCC#CO CNP0612045.0 [2,0,0,0,0,0|0,0,2]=4 501 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 502 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,2]=4 503 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,0]=2 504 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,0]=3 505 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,0]=2 507 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,0]=3 508 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,0]=3 509 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,0]=3 511 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,0]=3 512 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,0]=3 514 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|2,0,0]=4 516 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|2,0,0]=4 517 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,0]=3 518 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|2,0,0]=4 519 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|1,1,0]=4 521 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|2,0,0]=4 523 B4R0.2 NCCCN CNP0566837.0 [2,0,0,0,0,0|2,0,0]=4 524 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,0,0]=3 525 B4R0.2 NCCCS CNP0560812.0 [2,0,0,0,0,0|1,1,0]=4 526 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,1]=4 527 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,0,0]=3 528 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,0]=3 530 B4R0.2 SCCCS CNP0528691.0 [2,0,0,0,0,0|1,1,0]=4 531 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|1,0,1]=4 532 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|0,0,2]=4 536 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,1,0,0,0,0|1,0,0]=3 537 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|0,0,0]=2 538 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,1,0,0,0,0|1,0,1]=4 541 B6R0.2 CC(C)NC(C)C CNP0209283.0 [1,1,0,0,0,0|2,0,0]=4 542 B6R0.2 CC(C)SC(C)C CNP0213199.0 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,1,0,0,0,0|1,0,0]=3 547 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|0,0,1]=3 550 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|0,0,2]=4 551 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|1,0,1]=4 552 B6R0.3 CC(C)C(C)CO CNP0127606.0 [1,1,0,0,0,0|0,0,0]=2 553 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,1,0,0,0,0|0,0,2]=4 554 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,1,0,0,0,0|0,0,2]=4 555 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [1,1,0,0,0,0|0,0,0]=2 557 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [1,1,0,0,0,0|0,0,0]=2 559 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [1,1,0,0,0,0|0,0,0]=2 560 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.3 CCC(O)C(C)C CNP0265736.0 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,1,0,0,0,0|2,0,0]=4 564 B6R0.3 CCC(S)C(C)C CNP0611989.0 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,1,0,0,0,0|2,0,0]=4 566 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,1,0,0,0,0|1,0,0]=3 567 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,1,0,0,0,0|2,0,0]=4 568 B6R0.3 CSC(C)C(C)C CNP0245218.0 [1,1,0,0,0,0|2,0,0]=4 569 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [1,1,0,0,0,0|1,0,0]=3 570 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [1,1,0,0,0,0|1,0,0]=3 571 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [1,1,0,0,0,0|1,0,0]=3 572 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [1,1,0,0,0,0|1,0,0]=3 573 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [1,1,0,0,0,0|1,0,0]=3 575 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|0,0,1]=3 579 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.4 CC(C)CC#CO CNP0482838.0 [1,1,0,0,0,0|0,0,1]=3 582 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,1,0,0,0,0|0,0,1]=3 583 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,0,1]=3 585 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|0,0,0]=2 586 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,1,0,0,0,0|0,1,1]=4 587 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,1,0,0,0,0|0,0,2]=4 588 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|0,0,2]=4 589 B6R0.4 CC(C)CON=O CNP0224607.0 [1,1,0,0,0,0|1,0,1]=4 590 B6R0.4 CC(C)CSC#N CNP0268195.0 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.4 CC(C)NCCN CNP0082470.0 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.4 CC(C)NCCO CNP0141461.0 [1,1,0,0,0,0|0,0,0]=2 593 B6R0.4 CC(C)OCCO CNP0079907.0 [1,1,0,0,0,0|0,0,0]=2 594 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.4 CCCSC(C)S CNP0609747.0 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|1,0,0]=3 601 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.4 CCSSC(C)C CNP0003135.0 [1,1,0,0,0,0|2,0,0]=4 604 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|1,0,0]=3 605 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|0,0,2]=4 606 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|0,0,0]=2 607 B6R0.4 COCCN(C)C CNP0429553.0 [1,1,0,0,0,0|1,0,0]=3 608 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|1,1,0]=4 609 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [1,1,0,0,0,0|2,0,0]=4 611 B6R0.5 CC(C)(S)CCO CNP0215542.0 [1,1,0,0,0,0|0,0,0]=2 612 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,1,0,0,0,0|1,0,0]=3 613 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|1,0,0]=3 614 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [1,1,0,0,0,0|2,0,0]=4 615 B6R0.5 CCOC(C)(C)C CNP0285210.0 [1,1,0,0,0,0|2,0,0]=4 616 B6R0.5 CCSC(C)(C)C CNP0186557.0 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [1,1,0,0,0,0|1,0,0]=3 618 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [1,1,0,0,0,0|1,0,0]=3 620 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [1,1,0,0,0,0|1,0,0]=3 621 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [1,1,0,0,0,0|1,1,0]=4 622 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [1,1,0,0,0,0|1,0,0]=3 623 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [1,1,0,0,0,0|1,0,0]=3 624 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [1,1,0,0,0,0|1,0,0]=3 625 B6R0.6 C#CCCCCO CNP0289179.0 [1,1,0,0,0,0|0,0,1]=3 626 B6R0.6 C=CCCCCC CNP0226691.0 [1,1,0,0,0,0|1,0,0]=3 627 B6R0.6 C=CCCCCO CNP0162421.0 [1,1,0,0,0,0|0,0,1]=3 628 B6R0.6 C=CCOCCO CNP0248950.0 [1,1,0,0,0,0|0,0,2]=4 629 B6R0.6 C=CCSCCC CNP0150756.0 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.6 C=COCCCC CNP0077236.0 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.6 CC#CCCCO CNP0320046.0 [1,1,0,0,0,0|0,0,1]=3 632 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|0,0,1]=3 634 B6R0.6 CCC#CCCO CNP0170517.0 [1,1,0,0,0,0|0,0,1]=3 635 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|1,0,1]=4 636 B6R0.6 CCC=CCCO CNP0255718.0 [1,1,0,0,0,0|0,0,1]=3 637 B6R0.6 CCCC#CCO CNP0314465.0 [1,1,0,0,0,0|0,0,1]=3 638 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|0,0,1]=3 639 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|0,0,2]=4 640 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|0,0,1]=3 641 B6R0.6 CCCCC=NO CNP0149695.0 [1,1,0,0,0,0|0,0,1]=3 642 B6R0.6 CCCCCC#N CNP0412353.0 [1,1,0,0,0,0|1,0,0]=3 643 B6R0.6 CCCCCC=O CNP0304790.0 [1,1,0,0,0,0|0,0,1]=3 644 B6R0.6 CCCCCCC CNP0290800.0 [1,1,0,0,0,0|1,0,0]=3 645 B6R0.6 CCCCCCN CNP0213933.0 [1,1,0,0,0,0|1,0,0]=3 646 B6R0.6 CCCCCCO CNP0317600.0 [1,1,0,0,0,0|0,0,0]=2 647 B6R0.6 CCCCCCS CNP0167948.0 [1,1,0,0,0,0|0,1,0]=3 648 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,1,0,0,0,0|0,0,1]=3 649 B6R0.6 CCCCCNC CNP0276164.0 [1,1,0,0,0,0|1,0,0]=3 650 B6R0.6 CCCCCOC CNP0358174.0 [1,1,0,0,0,0|0,0,0]=2 651 B6R0.6 CCCCCSC CNP0293012.0 [1,1,0,0,0,0|0,1,0]=3 652 B6R0.6 CCCCCSS CNP0228282.0 [1,1,0,0,0,0|0,1,0]=3 653 B6R0.6 CCCCN=C=S CNP0328773.0 [1,1,0,0,0,0|0,1,1]=4 654 B6R0.6 CCCCNC=O CNP0082472.0 [1,1,0,0,0,0|0,0,2]=4 655 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|0,0,2]=4 656 B6R0.6 CCCCON=O CNP0003508.0 [1,1,0,0,0,0|1,0,1]=4 657 B6R0.6 CCCCSSC CNP0532819.0 [1,1,0,0,0,0|1,1,0]=4 658 B6R0.6 CCCNCCC CNP0129820.0 [1,1,0,0,0,0|1,0,0]=3 659 B6R0.6 CCCOCCO CNP0079853.0 [1,1,0,0,0,0|0,0,0]=2 660 B6R0.6 CCCSCCC CNP0173387.0 [1,1,0,0,0,0|1,0,0]=3 661 B6R0.6 CCCSSCC CNP0322971.0 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.6 CCOCCCO CNP0304052.0 [1,1,0,0,0,0|0,0,0]=2 663 B6R0.6 CCOCCCS CNP0267296.0 [1,1,0,0,0,0|0,1,0]=3 664 B6R0.6 CCSCCCO CNP0355297.0 [1,1,0,0,0,0|0,0,0]=2 665 B6R0.6 CNCCCCN CNP0157274.0 [1,1,0,0,0,0|1,0,0]=3 666 B6R0.6 COCC#CCO CNP0527985.0 [1,1,0,0,0,0|0,0,2]=4 667 B6R0.6 COCCCCO CNP0570905.0 [1,1,0,0,0,0|0,0,0]=2 668 B6R0.6 CSCCCC#N CNP0286857.0 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.6 CSCCCC=O CNP0002814.0 [1,1,0,0,0,0|0,0,2]=4 670 B6R0.6 CSCCCCO CNP0002400.0 [1,1,0,0,0,0|0,0,0]=2 671 B6R0.6 CSCCCN=S CNP0092190.0 [1,1,0,0,0,0|1,1,0]=4 672 B6R0.6 ClCCOCCCl CNP0082891.0 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.6 NCCCCC=O CNP0083786.0 [1,1,0,0,0,0|0,0,2]=4 674 B6R0.6 NCCCCCN CNP0184259.0 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.6 NCCCCCO CNP0032450.0 [1,1,0,0,0,0|0,0,0]=2 676 B6R0.6 NCCOCCN CNP0447264.0 [1,1,0,0,0,0|2,0,0]=4 677 B6R0.6 OCCCCCO CNP0201249.0 [1,1,0,0,0,0|0,0,0]=2 678 B6R0.6 OCCCN=C=S CNP0612043.0 [1,1,0,0,0,0|1,0,1]=4 679 B6R0.6 OCCNCCO CNP0247543.0 [1,1,0,0,0,0|1,0,0]=3 680 B6R0.6 OCCOCCO CNP0333860.0 [1,1,0,0,0,0|1,0,0]=3 681 B6R0.6 OCCSCCO CNP0335773.0 [1,1,0,0,0,0|1,0,0]=3 682 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [1,1,0,0,0,0|0,0,2]=4 683 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|0,0,2]=4 684 B6R0.8 CC(N)(CO)CO CNP0076432.0 [1,1,0,0,0,0|1,0,0]=3 685 B6R0.8 CCC(C)(C)CC CNP0117655.0 [1,1,0,0,0,0|0,0,0]=2 686 B6R0.8 CCC(C)(C)SC CNP0141733.0 [1,1,0,0,0,0|1,0,0]=3 687 B6R0.8 CCC(C)(O)CC CNP0314635.0 [1,1,0,0,0,0|0,0,0]=2 688 B6R0.8 CCC(C)(O)CO CNP0308368.0 [1,1,0,0,0,0|0,0,0]=2 689 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.8 CC[Si](Cl)(Cl)CC CNP0296955.0 [1,1,0,0,0,0|1,1,0]=4 692 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [1,1,0,0,0,0|2,0,0]=4 693 B6R0.8 CSC(C)(C)SC CNP0076175.0 [1,1,0,0,0,0|2,0,0]=4 694 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|0,0,2]=4 695 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|0,0,1]=3 696 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|0,0,1]=3 697 B6R0.9 CCC(C#N)CC CNP0152089.0 [1,1,0,0,0,0|0,0,1]=3 698 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|0,0,1]=3 699 B6R0.9 CCC(CC)CC CNP0205695.0 [1,1,0,0,0,0|0,0,0]=2 700 B6R0.9 CCC(CC)SC CNP0410895.0 [1,1,0,0,0,0|0,0,0]=2 701 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|1,0,0]=3 702 B6R0.9 CCN(CC)CC CNP0209343.0 [1,1,0,0,0,0|1,0,0]=3 703 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.9 CCP(CC)CC CNP0368013.0 [1,1,0,0,0,0|1,0,0]=3 705 B6R0.9 COC(CO)CO CNP0242404.0 [1,1,0,0,0,0|1,0,0]=3 706 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,2,0,0,0,0|1,0,1]=4 709 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,2,0,0,0,0|0,0,1]=3 710 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|0,0,2]=4 712 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,2,0,0,0,0|0,0,1]=3 713 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,2,0,0,0,0|0,0,1]=3 714 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,2,0,0,0,0|0,0,1]=3 715 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,2,0,0,0,0|0,0,1]=3 716 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|0,0,2]=4 719 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,2,0,0,0,0|0,0,1]=3 720 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,2,0,0,0,0|0,0,1]=3 721 B8R0.2 CC[C@H](C)[C@H](C)C(C)C CNP0324956.1 [0,2,0,0,0,0|1,0,0]=3 722 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,2,0,0,0,0|0,0,1]=3 723 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,2,0,0,0,0|0,0,1]=3 724 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,2,0,0,0,0|1,0,1]=4 726 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,2,0,0,0,0|1,0,1]=4 727 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)CO CNP0148651.3 [0,2,0,0,0,0|1,0,0]=3 729 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,2,0,0,0,0|1,0,1]=4 730 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)CO CNP0148651.4 [0,2,0,0,0,0|1,0,0]=3 731 B8R0.2 C[C@H](O)[C@@H](O)[C@H](O)CO CNP0148651.2 [0,2,0,0,0,0|1,0,0]=3 732 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)CO CNP0148651.1 [0,2,0,0,0,0|1,0,0]=3 733 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,2,0,0,0,0|1,0,0]=3 734 B8R0.5 C=CC[C@@H](O)C[C@@H](C)O CNP0069442.4 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.5 C=CC[C@@H](O)C[C@H](C)O CNP0069442.3 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.5 C=CC[C@H](O)C[C@@H](C)O CNP0069442.1 [0,2,0,0,0,0|1,0,1]=4 737 B8R0.5 C=CC[C@H](O)C[C@H](C)O CNP0069442.2 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|1,0,0]=3 739 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,2,0,0,0,0|1,0,0]=3 740 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,2,0,0,0,0|0,0,0]=2 741 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|0,0,1]=3 743 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,2,0,0,0,0|1,0,1]=4 745 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,2,0,0,0,0|1,0,1]=4 746 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.5 CCSC(C)SC(C)S CNP0609795.0 [0,2,0,0,0,0|1,1,0]=4 748 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,2,0,0,0,0|1,0,1]=4 749 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,2,0,0,0,0|0,0,1]=3 750 B8R0.16 CCC(CC)CC(C)C CNP0577588.0 [0,2,0,0,0,0|1,0,0]=3 751 B8R0.16 CCC(CO)CC(C)C CNP0084487.0 [0,2,0,0,0,0|1,0,0]=3 752 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [0,2,0,0,0,0|1,0,1]=4 753 B8R0.16 COC(CC(C)C)OC CNP0256947.0 [0,2,0,0,0,0|2,0,0]=4 754 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,0]=3 755 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|1,0,1]=4 757 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [0,2,0,0,0,0|0,0,0]=2 758 B8R0.19 CCC(S)SC(S)CC CNP0098447.0 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [0,2,0,0,0,0|1,0,0]=3 760 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|0,0,1]=3 761 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [0,2,0,0,0,0|0,0,0]=2 762 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|1,0,1]=4 764 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.19 OC[C@@H](O)C[C@H](O)CO CNP0338716.1 [0,2,0,0,0,0|2,0,0]=4 766 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,2,0,0,0,0|0,0,2]=4 767 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,2,0,0,0,0|1,0,0]=3 768 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,2,0,0,0,0|1,0,1]=4 769 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,2,0,0,0,0|1,0,1]=4 770 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,2,0,0,0,0|1,0,1]=4 771 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [0,2,0,0,0,0|0,0,0]=2 772 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,2,0,0,0,0|0,0,1]=3 773 B8R0.34 C[C@H](O)C[C@](C)(O)CO CNP0530490.1 [0,2,0,0,0,0|1,0,0]=3 774 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,2,0,0,0,0|1,0,0]=3 779 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,2,0,0,0,0|1,0,0]=3 781 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,2,0,0,0,0|0,0,0]=2 782 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.1 CCSSC(C)SCC CNP0380817.0 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|1,0,0]=3 786 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|1,0,0]=3 787 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,2,0,0,0,0|1,0,0]=3 788 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,2,0,0,0,0|1,0,0]=3 789 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|1,0,0]=3 790 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|1,0,1]=4 791 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,2,0,0,0,0|1,0,0]=3 792 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,2,0,0,0,0|1,0,0]=3 793 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,2,0,0,0,0|1,0,0]=3 794 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,2,0,0,0,0|1,0,0]=3 795 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|1,0,1]=4 796 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|1,0,1]=4 797 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|1,0,1]=4 799 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO CNP0204667.2 [0,2,0,0,0,0|1,0,1]=4 800 B8R0.3 O=CC[C@H](O)[C@H](O)CO CNP0204667.1 [0,2,0,0,0,0|1,0,1]=4 801 B8R0.3 OCC[C@H](O)[C@H](O)CO CNP0216984.1 [0,2,0,0,0,0|1,0,0]=3 802 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,2,0,0,0,0|0,0,0]=2 803 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,2,0,0,0,0|2,0,0]=4 804 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,2,0,0,0,0|1,0,0]=3 805 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,2,0,0,0,0|1,0,0]=3 808 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,2,0,0,0,0|0,0,0]=2 809 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,2,0,0,0,0|0,0,0]=2 810 B8R0.6 COC(C)COCCCl CNP0537294.0 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,2,0,0,0,0|1,0,1]=4 812 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,2,0,0,0,0|1,0,1]=4 813 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,2,0,0,0,0|1,0,0]=3 814 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,2,0,0,0,0|1,0,0]=3 816 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,2,0,0,0,0|1,0,0]=3 817 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,2,0,0,0,0|1,0,0]=3 818 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|1,0,1]=4 819 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,2,0,0,0,0|1,0,1]=4 820 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,2,0,0,0,0|1,0,0]=3 821 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,2,0,0,0,0|1,0,1]=4 822 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|1,0,1]=4 823 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|0,0,1]=3 824 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,2,0,0,0,0|1,0,0]=3 825 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,2,0,0,0,0|0,0,0]=2 826 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,2,0,0,0,0|0,0,2]=4 828 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,2,0,0,0,0|0,0,2]=4 829 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,2,0,0,0,0|1,0,0]=3 830 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,2,0,0,0,0|0,0,2]=4 831 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,2,0,0,0,0|0,0,0]=2 832 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,2,0,0,0,0|0,1,1]=4 833 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,2,0,0,0,0|0,1,1]=4 834 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,2,0,0,0,0|0,0,2]=4 835 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,2,0,0,0,0|2,0,0]=4 837 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,2,0,0,0,0|2,0,0]=4 838 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,2,0,0,0,0|2,0,0]=4 839 B8R0.11 CCC(CO)CCNC CNP0141963.0 [0,2,0,0,0,0|1,0,0]=3 840 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [0,2,0,0,0,0|1,0,1]=4 841 B8R0.11 CCCCC(CC)CS CNP0002408.0 [0,2,0,0,0,0|1,0,0]=3 842 B8R0.11 CCCCC(OC)OC CNP0417281.0 [0,2,0,0,0,0|2,0,0]=4 843 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,2,0,0,0,0|1,0,0]=3 845 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,2,0,0,0,0|1,0,0]=3 847 B8R0.11 CCN(CC)CCCO CNP0600087.0 [0,2,0,0,0,0|1,0,0]=3 848 B8R0.11 CCSSC(CC)SC CNP0002633.0 [0,2,0,0,0,0|2,0,0]=4 849 B8R0.12 C=CCC(C)(O)C(C)C CNP0517978.0 [0,2,0,0,0,0|1,0,1]=4 850 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [0,2,0,0,0,0|1,0,0]=3 851 B8R0.15 CC[C@@H](CCO)C(C)C CNP0310807.1 [0,2,0,0,0,0|0,0,0]=2 852 B8R0.15 CC[C@H](CCO)C(C)C CNP0310807.2 [0,2,0,0,0,0|0,0,0]=2 853 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,2,0,0,0,0|0,0,2]=4 854 B8R0.22 CCCC(CO)CCC CNP0538708.0 [0,2,0,0,0,0|1,0,0]=3 855 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [0,2,0,0,0,0|0,0,0]=2 856 B8R0.22 CCN(CCO)CCCl CNP0082053.0 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.22 CCN(CCO)CCO CNP0368162.0 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.22 CCOC(CC)OCC CNP0017880.0 [0,2,0,0,0,0|2,0,0]=4 859 B8R0.22 COCC(COC)OC CNP0127784.0 [0,2,0,0,0,0|2,0,0]=4 860 B8R0.22 O=NN(CCO)CCO CNP0568546.0 [0,2,0,0,0,0|2,0,0]=4 861 B8R0.30 CCCP(=S)(C)CCC CNP0210632.0 [0,2,0,0,0,0|2,0,0]=4 862 B8R0.30 CCOC(C)(C)OCC CNP0564539.0 [0,2,0,0,0,0|2,0,0]=4 863 B8R0.30 C[C@@](O)(CC#N)CCO CNP0018267.1 [0,2,0,0,0,0|0,0,1]=3 864 B8R0.30 O=S(=O)(CCO)CCO CNP0018155.0 [0,2,0,0,0,0|2,0,0]=4 865 B8R0.13 CC(O)(CO)[C@@H](O)CO CNP0176272.1 [0,2,0,0,0,0|1,0,0]=3 866 B8R0.13 C[C@@](O)(CO)[C@@H](O)CO CNP0176272.3 [0,2,0,0,0,0|1,0,0]=3 867 B8R0.13 C[C@@](O)(CO)[C@H](O)CO CNP0176272.4 [0,2,0,0,0,0|1,0,0]=3 868 B8R0.13 C[C@](O)(CO)C(O)CO CNP0176272.5 [0,2,0,0,0,0|1,0,0]=3 869 B8R0.13 C[C@](O)(CO)[C@H](O)CO CNP0176272.2 [0,2,0,0,0,0|1,0,0]=3 870 B8R0.20 CCC(CC)[C@@H](C)CC CNP0193846.1 [0,2,0,0,0,0|1,0,0]=3 871 B8R0.31 CCCC(C)(CC)CC CNP0251441.0 [0,2,0,0,0,0|1,0,0]=3 872 B8R0.31 CCCC(C)(CC)OC CNP0082474.0 [0,2,0,0,0,0|1,0,0]=3 873 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|0,0,2]=4 874 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|0,0,2]=4 875 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|0,0,2]=4 876 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|1,0,0]=3 877 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|2,0,0]=4 878 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,1,0,0|2,0,0]=4 879 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|2,0,0]=4 880 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|0,1,0]=3 881 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,1]=4 882 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|2,0,0]=4 883 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [1,0,0,1,0,0|2,0,0]=4 884 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|2,0,0]=4 885 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|1,0,0]=3 886 B6R1.3 NCCN1CC1 CNP0522628.0 [1,0,0,1,0,0|2,0,0]=4 887 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|1,0,0]=3 888 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,1]=4 889 B6R1.9 CC1CC1(C)C CNP0507743.0 [1,0,0,1,0,0|1,0,0]=3 890 B6R1.10 CC1(CCO1)C CNP0252865.0 [1,0,0,1,0,0|0,0,0]=2 891 B6R1.10 CC1(CCS1)C CNP0181332.0 [1,0,0,1,0,0|0,1,0]=3 892 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,1]=4 893 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,2]=4 894 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,1]=4 895 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,1,0,0|1,0,0]=3 896 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|1,0,0]=3 897 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|0,0,0]=2 898 B6R1.1 C1CNCCN1 CNP0389558.0 [1,0,0,1,0,0|2,0,0]=4 899 B6R1.1 C1CNCCN1 CNP0554301.0 [1,0,0,1,0,0|2,0,0]=4 900 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,1,0,0|1,0,0]=3 901 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,1,0,0|1,0,0]=3 902 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,1,0,0|1,0,0]=3 903 B6R1.1 C1CSCCS1 CNP0316640.0 [1,0,0,1,0,0|1,1,0]=4 904 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,1,0,0|1,1,0]=4 905 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,2]=4 906 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [1,0,0,1,0,0|2,0,0]=4 907 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|0,0,2]=4 908 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,1,0,1,0,0|0,0,0]=2 909 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [0,1,0,1,0,0|2,0,0]=4 911 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|1,0,1]=4 912 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|1,0,1]=4 916 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|0,0,1]=3 917 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,1,0,1,0,0|1,0,1]=4 918 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|1,0,1]=4 920 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|0,0,2]=4 921 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|1,0,1]=4 922 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|1,0,1]=4 923 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [0,1,0,1,0,0|1,0,1]=4 924 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,1,0,1,0,0|0,0,0]=2 925 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,1]=4 926 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|0,0,1]=3 927 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,1]=4 928 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|0,0,2]=4 929 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|0,0,1]=3 930 B8R1.4 CC1NC(SCS1)C CNP0059396.0 [0,1,0,1,0,0|1,1,0]=4 931 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,0,2]=4 933 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,1,0,1,0,0|1,0,0]=3 934 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,1,0,1,0,0|0,0,0]=2 935 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,1,0,1,0,0|1,0,0]=3 936 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,1,0,1,0,0|1,0,0]=3 937 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,1,0,1,0,0|0,0,0]=2 938 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,0,2]=4 940 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,1,0,1,0,0|0,0,0]=2 941 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,1,0,1,0,0|0,0,0]=2 942 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,1,0,1,0,0|0,0,0]=2 943 B8R1.4 C[C@H]1SSC[C@@H](S1)C CNP0523637.1 [0,1,0,1,0,0|1,1,0]=4 944 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,1,0,0|1,0,1]=4 945 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|1,0,1]=4 947 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|1,0,1]=4 949 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|0,0,1]=3 950 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|1,0,1]=4 951 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|1,0,1]=4 952 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,1,0,1,0,0|1,0,0]=3 953 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|0,0,1]=3 954 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,1,0,1,0,0|0,0,0]=2 955 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,1,0,1,0,0|1,0,0]=3 958 B8R1.2 CCN1CCOCC1 CNP0382188.0 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,1,0,0|1,0,0]=3 960 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,1,0,0|1,0,1]=4 961 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,1,0,0|1,0,0]=3 962 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,1,0,1,0,0|1,0,0]=3 964 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,1,0,1,0,0|0,0,0]=2 965 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,1,0,0|1,0,1]=4 966 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,1,0,1,0,0|1,0,1]=4 967 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [0,1,0,1,0,0|2,0,0]=4 968 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,1,0,1,0,0|1,0,1]=4 970 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,1,0,1,0,0|1,0,1]=4 972 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,1,0,1,0,0|1,0,1]=4 975 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|0,0,1]=3 976 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|0,0,2]=4 977 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,1,0,1,0,0|1,0,0]=3 978 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,1,0,0|1,0,1]=4 979 B8R1.3 CN1CCN(CC1)C CNP0276913.0 [0,1,0,1,0,0|2,0,0]=4 980 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,1,0,1,0,0|1,0,0]=3 982 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,1,0,1,0,0|0,0,0]=2 983 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.3 OC1COC(CO1)O CNP0129364.0 [0,1,0,1,0,0|2,0,0]=4 985 B8R1.3 OC1CSC(CS1)O CNP0309516.0 [0,1,0,1,0,0|2,0,0]=4 986 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|1,0,1]=4 987 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|1,0,1]=4 988 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|1,0,1]=4 990 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,1,0,1,0,0|2,0,0]=4 993 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,1,0,1,0,0|2,0,0]=4 994 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,1,0,1,0,0|2,0,0]=4 996 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,1,0,1,0,0|2,0,0]=4 997 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,1,0,1,0,0|2,0,0]=4 998 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,1,0,1,0,0|2,0,0]=4 999 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,1,0,1,0,0|2,0,0]=4 1000 B8R1.9 CC1SC1CCC#N CNP0082792.0 [0,1,0,1,0,0|2,0,0]=4 1001 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|1,0,1]=4 1004 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|1,0,1]=4 1005 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|0,0,1]=3 1006 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,1,0,1,0,0|1,0,0]=3 1007 B8R1.50 CN1CCC(C1O)O CNP0479127.0 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|1,0,1]=4 1009 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|1,0,1]=4 1010 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|1,0,1]=4 1011 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|0,0,2]=4 1012 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,1,0,1,0,0|1,0,0]=3 1013 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|1,0,1]=4 1014 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,1,0,0|0,0,0]=2 1015 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.50 OC1OC[C@H]([C@H]1O)O CNP0415790.1 [0,1,0,1,0,0|2,0,0]=4 1017 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [0,1,0,1,0,0|1,0,0]=3 1018 B8R1.52 CSC1(CC=CO1)C CNP0557096.0 [0,1,0,1,0,0|1,0,1]=4 1019 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,1,0,1,0,0|1,0,0]=3 1021 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,1,0,1,0,0|1,0,0]=3 1022 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,1,0,1,0,0|2,0,0]=4 1023 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,1,0,1,0,0|2,0,0]=4 1024 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|1,0,1]=4 1025 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,1,0,1,0,0|1,0,0]=3 1026 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,1,0,1,0,0|0,0,0]=2 1027 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|1,0,1]=4 1028 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,1,0,1,0,0|1,1,0]=4 1030 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,1,0,1,0,0|2,0,0]=4 1031 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,1,0,1,0,0|2,0,0]=4 1032 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|1,0,1]=4 1033 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|1,0,1]=4 1034 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,1,0,1,0,0|1,0,0]=3 1035 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|1,0,1]=4 1036 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [0,1,0,1,0,0|1,0,0]=3 1037 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,1,0,1,0,0|1,0,0]=3 1038 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,1,0,1,0,0|1,0,0]=3 1039 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [0,1,0,1,0,0|2,0,0]=4 1040 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,2,0,0|1,0,0]=3 1041 B8R2.8 CC12CCC1(C2)C CNP0076854.0 [0,0,0,2,0,0|1,0,0]=3 1042 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|1,0,1]=4 1043 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [0,0,0,2,0,0|2,0,0]=4 1044 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [0,0,0,2,0,0|1,0,0]=3