0 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 C=CCS(=S)OC CNP0557318.0 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|1,1,0]=2 18 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,0,0,0,0|2,1,1]=4 20 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,0,0,0,0,0|2,1,1]=4 25 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.1 COC(=O)CSC CNP0189712.0 [0,0,0,0,0,0|0,0,0]=0 41 B6R0.1 COCC(=O)OC CNP0202591.0 [0,0,0,0,0,0|0,1,0]=1 42 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|1,1,1]=4 69 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,0,0,0,0|2,1,0]=4 71 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|0,1,0]=2 84 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|0,1,0]=2 85 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|1,1,1]=4 86 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|0,0,0]=1 87 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|0,0,0]=1 88 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|0,1,0]=2 92 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|0,1,0]=2 93 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|1,1,0]=3 100 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 CC=CCC#N CNP0080085.0 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|3,0,0]=4 120 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 CCSSSC CNP0407481.0 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.2 COC=COC CNP0416791.0 [1,0,0,0,0,0|0,1,1]=3 131 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|0,1,1]=3 132 B5R0.2 CSC=CSC CNP0075985.0 [1,0,0,0,0,0|0,1,1]=3 133 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.2 CSCSSC CNP0313036.0 [1,0,0,0,0,0|1,1,0]=3 137 B5R0.2 CSSSSC CNP0225688.0 [1,0,0,0,0,0|2,1,0]=4 138 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,0,0,0,0,0|0,0,2]=3 139 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|0,0,2]=3 143 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|2,1,0]=4 145 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,1,0]=3 149 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|0,0,0]=1 151 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|0,1,0]=2 152 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|1,0,2]=4 157 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,0,0,0,0|1,1,1]=4 158 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|0,2,1]=4 159 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.3 CNC(=N)NC CNP0404528.0 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,0,0,0,0|1,0,0]=2 165 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,0,0,0,0|1,0,0]=2 166 B5R0.3 COC(=O)NN CNP0033099.0 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|1,1,1]=4 168 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|1,1,1]=4 169 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,0,0,0,0|1,1,1]=4 170 B5R0.3 NCC(=O)NO CNP0470573.0 [1,0,0,0,0,0|3,0,0]=4 171 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,0,0,0,0|3,0,0]=4 174 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,0,0,0,0|3,0,0]=4 175 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,0,0,0,0|2,1,0]=4 177 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|2,1,0]=4 178 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,0,0,0,0|2,1,0]=4 179 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,0|2,0,0]=3 191 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,0|1,0,0]=2 193 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,0|0,0,1]=2 197 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,0|0,0,1]=2 198 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,1,0,0,0,0|3,0,0]=4 199 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|1,1,0]=3 200 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|1,0,0]=2 206 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,0,0,0,0|0,1,0]=2 213 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,1,0,0,0,0|1,1,0]=3 214 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,1,0,0,0,0|1,0,2]=4 216 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,1,0,0,0,0|1,0,1]=3 217 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,0,0,0,0|1,0,1]=3 218 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,0,0,0,0|0,0,0]=1 219 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,1,0,0,0,0|0,1,1]=3 220 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,0,0,0,0|3,0,0]=4 234 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,0,0,0,0|1,0,1]=3 236 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,0,0,0,0|1,0,1]=3 239 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|2,0,0]=3 241 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|1,0,0]=2 242 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|1,1,0]=3 243 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,0,0,0,0|1,0,0]=2 249 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,0,0,0,0|0,0,0]=1 250 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.7 COCC(O)COC CNP0241402.0 [0,1,0,0,0,0|0,1,2]=4 253 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|1,0,1]=3 257 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|2,0,1]=4 258 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|2,0,0]=3 260 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|1,0,0]=2 261 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|1,0,0]=2 262 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|1,0,0]=2 263 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|1,0,0]=2 266 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|0,1,1]=3 270 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|2,0,0]=3 271 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|2,0,0]=3 272 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|2,0,0]=3 274 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|2,0,0]=3 275 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,0,0,0,0|2,0,0]=3 276 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.11 CCCS(=O)(=O)SC CNP0187882.0 [0,1,0,0,0,0|2,1,0]=4 278 B7R0.11 CSCS(=O)(=O)SC CNP0147013.0 [0,1,0,0,0,0|1,1,0]=3 279 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,1,0,0,0,0|1,0,0]=2 280 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,1,0,0,0,0|0,1,2]=4 281 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|3,0,0]=4 282 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,0|1,0,1]=3 285 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|1,0,0]=2 291 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|1,0,0]=2 293 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,1,0,0|2,1,0]=4 294 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|3,0,0]=4 296 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|2,0,0]=3 300 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|2,0,1]=4 305 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|2,0,1]=4 306 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|1,0,0]=2 311 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,1,0,0|1,1,0]=3 313 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,1,0,0|1,0,2]=4 314 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,1,0,0|2,1,0]=4 317 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|2,0,1]=4 320 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|1,1,0]=3 321 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|3,0,0]=4 322 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|2,0,1]=4 323 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|2,0,0]=3 324 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|2,0,0]=3 325 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|3,0,0]=4 326 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|3,0,0]=4 327 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|3,0,0]=4 329 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|3,0,0]=4 330 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|3,0,0]=4 331 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|2,1,0]=4 332 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,0,1,0,0|1,0,0]=2 333 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,0,0,1,0,0|0,0,0]=1 334 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 335 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,0]=3 336 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|1,1,0]=4 337 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,2]=4 338 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,2]=4 339 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|0,1,1]=4 341 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,0]=3 343 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 344 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|0,1,0]=3 345 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|0,0,0]=2 346 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|1,1,0]=4 349 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,0]=3 350 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,0]=3 351 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|1,0,1]=4 352 B4R0.1 CC(S)CS CNP0488983.0 [2,0,0,0,0,0|0,1,1]=4 353 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,1]=4 354 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 355 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 356 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,0]=2 357 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 358 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 359 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 360 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,0]=2 361 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,1]=3 362 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,1]=3 363 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,1]=3 364 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|1,0,1]=4 365 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 366 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|0,0,2]=4 367 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|0,1,1]=4 368 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 369 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,1]=4 370 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 371 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 372 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 373 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 374 B4R0.1 CNC(=S)S CNP0524147.0 [2,0,0,0,0,0|1,1,0]=4 375 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,0]=2 376 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 377 B4R0.1 CSC(=N)N CNP0572889.0 [2,0,0,0,0,0|2,0,0]=4 378 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,0,0]=2 379 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|1,0,1]=4 380 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|0,1,1]=4 381 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 385 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 386 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|1,1,0]=4 387 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,0]=3 389 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|1,0,1]=4 390 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 391 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 392 B4R0.1 O=C(Cl)SCl CNP0604698.0 [2,0,0,0,0,0|2,0,0]=4 393 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,0]=3 394 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,0]=3 395 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,0]=3 396 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|0,1,0]=3 397 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|0,0,0]=2 398 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|0,1,1]=4 399 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|1,0,1]=4 400 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|1,0,1]=4 401 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|1,0,1]=4 402 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|0,0,1]=3 403 B4R0.2 C=CCSO CNP0600527.0 [2,0,0,0,0,0|1,0,1]=4 404 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|0,1,1]=4 405 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|1,0,1]=4 406 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|1,0,1]=4 407 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,0]=3 408 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,1,0]=4 409 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,0,0]=3 410 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|0,0,1]=3 411 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,1]=4 412 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,1,0]=4 414 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|1,0,0]=3 415 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|1,0,1]=4 416 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|1,0,1]=4 417 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|1,0,1]=4 418 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,1]=4 419 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|0,0,1]=3 420 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|0,0,1]=3 421 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,1]=4 422 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|2,0,0]=4 423 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|2,0,0]=4 424 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|2,0,0]=4 425 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|1,0,1]=4 427 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,1]=4 428 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|1,0,1]=4 429 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|0,1,1]=4 430 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|0,1,1]=4 431 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|0,0,0]=2 432 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|0,0,1]=3 433 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|0,1,0]=3 434 B4R0.2 CSSSC CNP0486985.0 [2,0,0,0,0,0|1,1,0]=4 435 B4R0.2 CS[Se]SC CNP0608554.0 [2,0,0,0,0,0|1,1,0]=4 436 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|2,0,0]=4 437 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|2,0,0]=4 438 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|2,0,0]=4 439 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|1,0,0]=3 440 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|1,0,0]=3 452 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,0]=3 454 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,0]=3 463 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|1,0,0]=3 465 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,0]=3 466 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|1,0,0]=3 467 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|1,0,0]=3 469 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|0,0,1]=3 470 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,1,0,0,0,0|0,0,2]=4 471 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,1,0,0,0,0|2,0,0]=4 472 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,1,0,0,0,0|2,0,0]=4 473 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [1,1,0,0,0,0|2,0,0]=4 480 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|1,0,0]=3 486 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|1,0,0]=3 487 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|1,0,0]=3 488 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|1,0,0]=3 491 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|1,0,0]=3 492 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|1,0,0]=3 493 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|1,0,0]=3 494 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|1,0,0]=3 495 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|2,0,0]=4 496 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|2,0,0]=4 497 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|1,0,0]=3 498 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|1,0,0]=3 499 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|1,0,0]=3 500 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,1,0,0,0,0|1,0,0]=3 502 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|0,1,1]=4 504 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,1,0,0,0,0|0,1,1]=4 505 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|0,1,0]=3 506 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|0,0,0]=2 507 B6R0.3 CSC(C)C(C)C CNP0245218.0 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [1,1,0,0,0,0|2,0,0]=4 509 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,1,0,0,0,0|2,0,0]=4 510 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,1,0,0,0,0|2,0,0]=4 511 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,1,0,0,0,0|2,0,0]=4 512 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,1,0,0,0,0|2,0,0]=4 513 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [1,1,0,0,0,0|2,0,0]=4 514 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,1,0,0,0,0|2,0,0]=4 515 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,1,0,0,0,0|2,0,0]=4 516 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,1,0,0,0,0|2,0,0]=4 517 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,1,0,0,0,0|2,0,0]=4 519 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,1,0,0,0,0|2,0,0]=4 520 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,1,0,0,0,0|2,0,0]=4 524 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,1,0,0,0,0|2,0,0]=4 527 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,1,0,0,0,0|2,0,0]=4 528 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,1,0,0,0,0|2,0,0]=4 529 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,1,0,0,0,0|2,0,0]=4 530 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,1,0,0,0,0|2,0,0]=4 531 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,1,0,0,0,0|2,0,0]=4 532 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [1,1,0,0,0,0|2,0,0]=4 533 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|1,0,0]=3 536 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|1,0,1]=4 537 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,1,0,0,0,0|1,0,1]=4 538 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|1,0,1]=4 539 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|1,0,1]=4 541 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|2,0,0]=4 542 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|2,0,0]=4 545 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|2,0,0]=4 546 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|1,0,0]=3 548 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|1,0,1]=4 551 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|2,0,0]=4 553 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|1,0,0]=3 554 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|1,0,0]=3 555 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,0]=3 556 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|1,0,0]=3 557 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|1,0,0]=3 558 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|1,0,0]=3 559 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,1,0]=4 560 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|0,1,0]=3 561 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|1,1,0]=4 564 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|0,0,1]=3 566 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|0,0,0]=2 567 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|1,0,0]=3 568 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|0,0,0]=2 569 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|0,0,2]=4 570 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|0,0,0]=2 571 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|1,0,0]=3 580 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|2,0,0]=4 585 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|2,0,0]=4 586 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.6 CC=CSSCC CNP0418756.0 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.6 CC=CSSSC CNP0265306.0 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|2,0,0]=4 591 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.6 CCCCCOC CNP0358174.0 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.6 CCCCCSC CNP0293012.0 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.6 CCCCSSC CNP0532819.0 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.6 CCSSCSC CNP0003140.0 [1,1,0,0,0,0|1,1,0]=4 596 B6R0.6 COCCCCO CNP0570905.0 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.6 CSCCCCO CNP0002400.0 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.8 COP(=O)(N)SC CNP0341467.0 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|1,0,0]=3 601 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|0,0,2]=4 605 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|2,0,0]=4 606 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,2,0,0,0,0|2,0,0]=4 609 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,2,0,0,0,0|1,0,0]=3 616 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,2,0,0,0,0|1,0,0]=3 617 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,2,0,0,0,0|1,0,0]=3 618 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|2,0,0]=4 621 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,2,0,0,0,0|2,0,0]=4 622 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|1,0,0]=3 623 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,2,0,0,0,0|2,0,0]=4 626 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|2,0,0]=4 627 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,2,0,0,0,0|1,0,0]=3 628 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,2,0,0,0,0|1,0,0]=3 629 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,2,0,0,0,0|1,0,0]=3 630 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,2,0,0,0,0|1,0,0]=3 631 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,2,0,0,0,0|0,0,1]=3 633 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,2,0,0,0,0|0,0,1]=3 634 B8R0.16 CO/C(=N/O)/C[C@H](C)O CNP0423292.1 [0,2,0,0,0,0|1,0,1]=4 635 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|1,0,0]=3 636 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|2,0,0]=4 639 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|1,0,0]=3 641 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,2,0,0,0,0|1,0,0]=3 642 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,2,0,0,0,0|0,1,0]=3 645 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|0,0,0]=2 646 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,2,0,0,0,0|0,1,1]=4 647 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,2,0,0,0,0|2,0,0]=4 651 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.24 C=C(C[N+](C)(C)C)OC CNP0599697.0 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,2,0,0,0,0|1,0,0]=3 654 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,2,0,0,0,0|1,0,1]=4 655 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,2,0,0,0,0|1,0,1]=4 656 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,2,0,0,0,0|1,0,0]=3 657 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,2,0,0,0,0|2,0,0]=4 658 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,2,0,0,0,0|1,0,0]=3 659 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,2,0,0,0,0|1,0,0]=3 662 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|1,0,0]=3 664 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|0,0,0]=2 665 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,2,0,0,0,0|1,0,0]=3 666 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,2,0,0,0,0|1,0,0]=3 667 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|2,0,0]=4 668 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|2,0,0]=4 669 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|1,0,1]=4 670 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|2,0,0]=4 672 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|2,0,0]=4 673 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|2,0,0]=4 674 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|2,0,0]=4 675 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|1,0,0]=3 676 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|1,0,1]=4 677 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|2,0,0]=4 678 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|1,0,0]=3 679 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|2,0,0]=4 680 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|1,0,0]=3 682 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|2,0,0]=4 683 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,2,0,0,0,0|2,0,0]=4 684 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|1,0,0]=3 685 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|0,1,0]=3 686 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|0,1,0]=3 687 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,2,0,0,0,0|1,0,1]=4 688 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,2,0,0,0,0|1,0,0]=3 689 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,2,0,0,0,0|2,0,0]=4 690 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,2,0,0,0,0|1,0,0]=3 691 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|2,0,0]=4 692 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,2,0,0,0,0|1,0,0]=3 693 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,2,0,0,0,0|1,1,0]=4 694 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,2,0,0,0,0|0,0,0]=2 697 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,2,0,0,0,0|0,1,0]=3 698 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|2,0,0]=4 699 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|2,0,0]=4 700 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|2,0,0]=4 701 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|2,0,0]=4 702 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|2,0,0]=4 703 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,2,0,0,0,0|2,0,0]=4 704 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,0,0]=3 705 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|2,0,0]=4 710 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,2,0,0,0,0|1,1,0]=4 711 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,2,0,0,0,0|2,0,0]=4 712 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,2,0,0,0,0|2,0,0]=4 713 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,2,0,0,0,0|1,0,0]=3 714 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,2,0,0,0,0|1,0,0]=3 715 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,2,0,0,0,0|1,0,1]=4 716 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,2,0,0,0,0|1,0,0]=3 718 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,2,0,0,0,0|1,0,0]=3 719 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,2,0,0,0,0|1,1,0]=4 720 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|2,0,0]=4 722 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,2,0,0,0,0|2,0,0]=4 723 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|2,0,0]=4 724 B8R0.30 CSCS(=O)(=O)CSC CNP0129301.0 [0,2,0,0,0,0|1,1,0]=4 725 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,2,0,0,0,0|1,0,0]=3 726 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,2,0,0,0,0|1,0,0]=3 727 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [0,2,0,0,0,0|1,0,0]=3 728 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [0,2,0,0,0,0|0,1,0]=3 729 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,2,0,0,0,0|1,0,0]=3 730 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,2,0,0,0,0|0,0,0]=2 731 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|2,0,0]=4 732 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|2,0,0]=4 733 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|1,1,0]=4 734 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,1,0,0|2,0,0]=4 735 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,1,0,0|2,0,0]=4 736 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,1,0,0|1,0,0]=3 737 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|1,0,1]=4 738 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|1,0,1]=4 739 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|1,0,1]=4 740 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|1,0,1]=4 741 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|1,0,0]=3 742 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|2,0,0]=4 743 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,0]=3 744 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,1,0]=4 745 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 746 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|0,1,0]=3 747 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|1,1,0]=4 748 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|0,0,0]=2 749 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|2,0,0]=4 750 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|2,0,0]=4 751 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,0]=3 752 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|2,0,0]=4 753 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|2,0,0]=4 754 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|2,0,0]=4 755 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|2,0,0]=4 756 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|1,0,1]=4 757 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|2,0,0]=4 758 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|2,0,0]=4 759 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|1,0,1]=4 760 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,1,0,0|1,0,1]=4 761 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,1,0,0|0,1,1]=4 762 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,1,0,0|2,0,0]=4 763 B6R1.1 C1CSCCS1 CNP0316640.0 [1,0,0,1,0,0|0,1,1]=4 764 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,1,0,0|2,0,0]=4 765 B6R1.1 C1CSSCS1 CNP0173795.0 [1,0,0,1,0,0|1,1,0]=4 766 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,1,0,1,0,0|1,1,0]=4 768 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,1,0,1,0,0|1,1,0]=4 771 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,1,0,0|0,1,1]=4 772 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|1,1,0]=4 773 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|0,1,0]=3 774 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,1,0,0|1,0,1]=4 775 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|1,0,1]=4 778 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,1,0,0|1,0,1]=4 780 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|1,0,1]=4 783 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|1,0,1]=4 786 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|1,0,1]=4 789 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|1,0,1]=4 790 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,1]=4 792 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|1,1,0]=4 804 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|2,0,0]=4 813 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|1,1,0]=4 821 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|1,1,0]=4 826 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|0,1,1]=4 839 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [0,1,0,1,0,0|2,0,0]=4