0 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 C=CCS(=S)OC CNP0557318.0 [0,0,0,0,0,0|3,1,0]=4 5 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 C=CC[S@+]([O-])SC CNP0594212.2 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 C=CC[S@@+]([O-])SC CNP0594212.1 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 C=CC[S@@H+]([O-])SC CNP0536830.1 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,0,0,0,0|1,0,1]=2 24 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|2,1,1]=4 32 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,0,0,0,0,0|2,1,1]=4 35 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,0,0,0,0|1,0,2]=3 37 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,0,0,0,0,0|2,1,1]=4 38 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,0,0,0,0,0|1,1,1]=3 39 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,0,0,0,0,0|0,0,0]=0 40 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,1,1]=4 43 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,0,0,0,0|1,1,0]=3 45 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [1,0,0,0,0,0|2,1,0]=4 46 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [1,0,0,0,0,0|2,1,0]=4 47 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|0,0,2]=3 49 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.1 CC(C)C=NO CNP0180575.0 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|0,0,0]=1 53 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|0,0,2]=3 55 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|0,1,1]=3 56 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,0,0,0,0,0|1,1,1]=4 59 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.1 CC(C)ON=N CNP0504626.0 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|0,2,1]=4 62 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,0,0,0,0|0,1,1]=3 63 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|1,1,1]=4 65 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|1,1,1]=4 68 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|1,1,1]=4 69 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 CN(C)CC#N CNP0084986.0 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CN(C)CCCl CNP0328789.0 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 CN(C)CCO CNP0230038.0 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,0,0,0,0,0|1,1,1]=4 81 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,0,0,0,0|0,1,0]=2 82 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|0,1,2]=4 83 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|0,1,2]=4 84 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|1,1,1]=4 85 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 C=CCCC#N CNP0248596.0 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.2 C=CCCC=C CNP0079781.0 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.2 C=CCSSC CNP0333880.0 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|1,1,1]=4 108 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|1,1,1]=4 110 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|2,1,0]=4 116 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|0,0,0]=1 117 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|0,0,2]=3 119 B5R0.2 CSCSSC CNP0313036.0 [1,0,0,0,0,0|3,0,0]=4 120 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|1,0,1]=3 131 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|1,1,1]=4 134 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,0,0,0,0|1,1,0]=3 138 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.3 CCC(O)CCl CNP0366953.0 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.3 CCC(O)CO CNP0534149.0 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,0,0,0,0|2,1,0]=4 144 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|1,0,1]=3 147 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|1,0,1]=3 151 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|0,1,1]=3 156 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|1,1,1]=4 157 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,0,0,0,0|1,0,1]=3 158 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,0,0,0,0|3,0,0]=4 160 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,1,0,0,0,0|1,0,1]=3 166 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|1,0,2]=4 169 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,0|1,0,0]=2 172 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,0|1,0,0]=2 176 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,1,0,0,0,0|2,1,0]=4 178 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,1,0,0,0,0|2,1,0]=4 179 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|0,1,2]=4 184 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|1,1,1]=4 185 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,0|1,1,1]=4 186 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,1,0,0,0,0|1,1,1]=4 187 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,0,0,0,0|1,1,1]=4 200 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,0,0,0,0|1,1,1]=4 201 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,1,0,0,0,0|1,1,1]=4 202 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,0,0,0,0|1,1,1]=4 203 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|1,0,2]=4 217 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,0,0,0,0|1,0,2]=4 218 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|1,0,0]=2 220 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|1,0,1]=3 223 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|1,0,2]=4 224 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|1,1,1]=4 225 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,1,0,0,0,0|1,0,2]=4 233 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|1,1,1]=4 234 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.11 [C-]#[N+]CC(C)(C)OC CNP0586088.0 [0,1,0,0,0,0|2,1,0]=4 240 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,1,0,0,0,0|2,0,0]=3 241 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,1,0,0,0,0|2,1,0]=4 244 B7R0.12 O=CN[C@H](C=O)CS CNP0344446.1 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,1,0,0,0,0|3,0,0]=4 246 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,0,0,1,0,0|1,1,0]=3 248 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|1,0,2]=4 249 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,1,0,0|0,1,2]=4 250 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,1,0,0|2,1,0]=4 252 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|1,0,2]=4 254 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,0|0,1,1]=3 256 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|1,0,0]=2 257 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|2,0,1]=4 278 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|1,1,1]=4 279 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|0,1,2]=4 281 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,0,0,1,0,0|3,0,0]=4 282 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,0,0,1,0,0|1,0,2]=4 283 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,1,0,0|1,1,1]=4 286 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,0,0,1,0,0|1,0,2]=4 288 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,1,0,0|1,1,1]=4 290 B7R1.3 C[C@H]1CSSSS1 CNP0251938.1 [0,0,0,1,0,0|2,1,0]=4 291 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,1,0,0|2,1,0]=4 295 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,0,1,0,0|1,0,1]=3 297 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|3,0,0]=4 298 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|0,0,2]=4 299 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,2]=4 300 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|0,0,1]=3 302 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,1,1]=4 303 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,1,1]=4 304 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|0,1,1]=4 305 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,0]=2 306 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,0]=2 307 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,0]=3 308 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,1]=3 309 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,1,0]=3 310 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,0]=3 311 B4R0.1 CC(N)CN CNP0579261.0 [2,0,0,0,0,0|2,0,0]=4 312 B4R0.1 CC(S)CS CNP0488983.0 [2,0,0,0,0,0|0,1,0]=3 313 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,1]=4 314 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,1]=3 316 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 317 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|1,0,1]=4 318 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,1,1]=4 319 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,0,1]=3 320 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,1,1]=4 321 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 322 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 323 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,1,1]=4 328 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,0,1]=3 329 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|0,0,0]=2 330 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|0,1,0]=3 331 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [2,0,0,0,0,0|1,0,1]=4 332 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.1 C[C@@H](N)CO CNP0589695.1 [2,0,0,0,0,0|1,0,1]=4 335 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|0,1,0]=3 336 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|0,1,1]=4 337 B4R0.1 C[C@H](N)CO CNP0589695.2 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|0,1,0]=3 339 B4R0.1 C[C@H](O)CBr CNP0593715.1 [2,0,0,0,0,0|1,1,0]=4 340 B4R0.1 C[C@H](O)CN CNP0571248.1 [2,0,0,0,0,0|1,1,0]=4 341 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|0,1,1]=4 342 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 343 B4R0.1 O=CC(Br)Br CNP0551465.0 [2,0,0,0,0,0|2,0,0]=4 344 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|0,0,2]=4 346 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|1,0,1]=4 347 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|1,0,0]=3 348 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,1,0]=4 350 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|0,0,1]=3 351 B4R0.2 C=CCSO CNP0600527.0 [2,0,0,0,0,0|1,0,1]=4 352 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|0,1,1]=4 353 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,2]=4 356 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,1]=4 359 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 360 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,0]=2 361 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,1]=4 364 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,2]=4 365 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,1]=4 366 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,1]=4 367 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|0,1,1]=4 368 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|0,0,1]=3 369 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,1]=4 370 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 371 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|2,0,0]=4 374 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|1,1,0]=4 376 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|0,1,1]=4 377 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|0,2,0]=4 378 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|0,0,0]=2 379 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|0,0,1]=3 380 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|1,0,1]=4 381 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,0]=3 382 B4R0.2 NCCCS CNP0560812.0 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|0,1,1]=4 384 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|0,1,0]=3 385 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|0,0,2]=4 386 B4R0.2 SCCCS CNP0528691.0 [2,0,0,0,0,0|0,1,1]=4 387 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|2,0,0]=4 388 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|0,0,2]=4 389 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,1,0,0,0,0|0,0,2]=4 390 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,1,0,0,0,0|0,0,2]=4 391 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|0,0,2]=4 392 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|0,0,2]=4 394 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|0,0,2]=4 396 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|0,1,1]=4 397 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|0,1,1]=4 398 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|0,1,1]=4 399 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,0]=2 400 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|0,1,0]=3 401 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|0,1,0]=3 402 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|1,0,0]=3 403 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|1,1,0]=4 404 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|0,0,0]=2 405 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|0,0,2]=4 407 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [1,1,0,0,0,0|1,1,0]=4 412 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|0,1,0]=3 414 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,1,0,0,0,0|1,0,0]=3 415 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,0]=3 417 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|0,1,0]=3 419 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,0]=3 420 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|0,1,0]=3 421 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|0,0,0]=2 422 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|0,0,1]=3 423 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,1,0,0,0,0|1,0,0]=3 425 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.3 CC(C)C(C)CO CNP0127606.0 [1,1,0,0,0,0|0,0,2]=4 427 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,1,0,0,0,0|0,0,0]=2 428 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,1,0,0,0,0|0,0,0]=2 429 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,1,0,0,0,0|0,0,0]=2 430 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [1,1,0,0,0,0|0,0,2]=4 431 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [1,1,0,0,0,0|0,0,2]=4 433 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [1,1,0,0,0,0|0,0,2]=4 434 B6R0.3 CCC(O)C(C)C CNP0265736.0 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.3 CCC(S)C(C)C CNP0611989.0 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.3 CSC(C)C(C)C CNP0245218.0 [1,1,0,0,0,0|2,0,0]=4 438 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [1,1,0,0,0,0|0,1,0]=3 439 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,1,0,0,0,0|1,1,0]=4 440 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,1,0,0,0,0|1,0,0]=3 441 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|0,0,1]=3 442 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|0,1,1]=4 443 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,1,0,0,0,0|0,0,1]=3 444 B6R0.4 CC(C)CC#CO CNP0482838.0 [1,1,0,0,0,0|0,0,2]=4 445 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,1,0,0,0,0|0,0,1]=3 446 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,0,0]=2 448 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|0,0,2]=4 449 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,1,0,0,0,0|0,1,1]=4 450 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,1,0,0,0,0|0,0,0]=2 451 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|0,0,0]=2 452 B6R0.4 CC(C)CON=O CNP0224607.0 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.4 CC(C)CSC#N CNP0268195.0 [1,1,0,0,0,0|1,0,1]=4 454 B6R0.4 CC(C)NCCN CNP0082470.0 [1,1,0,0,0,0|1,0,1]=4 455 B6R0.4 CC(C)NCCO CNP0141461.0 [1,1,0,0,0,0|0,0,2]=4 456 B6R0.4 CC(C)OCCO CNP0079907.0 [1,1,0,0,0,0|0,0,2]=4 457 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|1,0,0]=3 458 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|1,1,0]=4 459 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.4 CCCSC(C)S CNP0609747.0 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|0,0,2]=4 466 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,1,0,0,0,0|1,0,0]=3 467 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.5 CC(C)(S)CCO CNP0215542.0 [1,1,0,0,0,0|0,0,2]=4 470 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,1,0,0,0,0|1,0,1]=4 471 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [1,1,0,0,0,0|1,0,0]=3 474 B6R0.6 C=CCCC=CC CNP0426808.0 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.6 C=CCCCCC CNP0226691.0 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.6 C=CCCCCO CNP0162421.0 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.6 C=CCCSC#N CNP0532187.0 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.6 C=CCSCCC CNP0150756.0 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.6 C=CCSSSC CNP0338885.0 [1,1,0,0,0,0|2,0,0]=4 480 B6R0.6 C=COCCCC CNP0077236.0 [1,1,0,0,0,0|2,0,0]=4 481 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|1,0,0]=3 482 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|1,0,1]=4 486 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.6 CCCCC=NO CNP0149695.0 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.6 CCCCCC=O CNP0304790.0 [1,1,0,0,0,0|1,0,0]=3 489 B6R0.6 CCCCCSC CNP0293012.0 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.6 CCCCNC=O CNP0082472.0 [1,1,0,0,0,0|1,0,0]=3 491 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|1,0,0]=3 492 B6R0.6 CCCCON=O CNP0003508.0 [1,1,0,0,0,0|2,0,0]=4 493 B6R0.6 CCCCSSC CNP0532819.0 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.6 CCSCCCO CNP0355297.0 [1,1,0,0,0,0|0,0,2]=4 495 B6R0.6 CSCCCC#N CNP0286857.0 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.6 CSCCCC=O CNP0002814.0 [1,1,0,0,0,0|0,0,0]=2 497 B6R0.6 CSCCCCO CNP0002400.0 [1,1,0,0,0,0|0,0,2]=4 498 B6R0.6 CSCCCN=S CNP0092190.0 [1,1,0,0,0,0|0,1,1]=4 499 B6R0.6 CSCCN=C=S CNP0002691.0 [1,1,0,0,0,0|0,1,1]=4 500 B6R0.6 NCCCCC=O CNP0083786.0 [1,1,0,0,0,0|1,0,0]=3 501 B6R0.6 O=CCCCC=O CNP0204417.0 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|1,0,1]=4 503 B6R0.8 CCC(C)(C)CC CNP0117655.0 [1,1,0,0,0,0|1,0,1]=4 504 B6R0.8 CCC(C)(C)SC CNP0141733.0 [1,1,0,0,0,0|0,0,1]=3 505 B6R0.8 CCC(C)(O)CC CNP0314635.0 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.8 CCC(C)(O)CO CNP0308368.0 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [1,1,0,0,0,0|0,0,0]=2 508 B6R0.8 CSC(C)(C)SC CNP0076175.0 [1,1,0,0,0,0|1,0,1]=4 509 B6R0.9 C=CC(OC)OC CNP0324949.0 [1,1,0,0,0,0|0,1,1]=4 510 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|0,1,1]=4 511 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|1,0,0]=3 513 B6R0.9 CCC(CC)CC CNP0205695.0 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.9 CCC(CC)SC CNP0410895.0 [1,1,0,0,0,0|0,0,1]=3 515 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|0,1,1]=4 516 B6R0.9 COC(CO)CO CNP0242404.0 [1,1,0,0,0,0|0,1,1]=4 517 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,2,0,0,0,0|1,0,1]=4 519 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,2,0,0,0,0|1,0,1]=4 520 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,2,0,0,0,0|1,0,0]=3 524 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,2,0,0,0,0|1,0,0]=3 525 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,2,0,0,0,0|2,0,0]=4 528 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|1,0,1]=4 530 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,2,0,0,0,0|1,0,0]=3 533 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,2,0,0,0,0|1,0,0]=3 534 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,2,0,0,0,0|0,1,0]=3 538 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|1,0,0]=3 545 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|2,0,0]=4 546 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,2,0,0,0,0|1,1,0]=4 548 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [0,2,0,0,0,0|1,1,0]=4 549 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,2,0,0,0,0|2,0,0]=4 550 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,2,0,0,0,0|1,0,0]=3 551 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,2,0,0,0,0|0,1,0]=3 553 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|1,0,1]=4 554 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|1,0,0]=3 558 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|0,0,0]=2 560 B8R0.19 CSC(C)SC(C)SC CNP0513901.0 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,2,0,0,0,0|2,0,0]=4 562 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,2,0,0,0,0|1,0,0]=3 565 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,2,0,0,0,0|2,0,0]=4 566 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,2,0,0,0,0|1,0,1]=4 571 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,2,0,0,0,0|1,0,0]=3 573 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,2,0,0,0,0|0,0,0]=2 574 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,2,0,0,0,0|2,0,0]=4 575 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|2,0,0]=4 576 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO CNP0204667.2 [0,2,0,0,0,0|2,0,0]=4 577 B8R0.3 O=CC[C@H](O)[C@H](O)CO CNP0204667.1 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|2,0,0]=4 579 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,2,0,0,0,0|2,0,0]=4 580 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,2,0,0,0,0|1,0,1]=4 581 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,2,0,0,0,0|1,0,1]=4 582 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,2,0,0,0,0|1,0,1]=4 583 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,2,0,0,0,0|1,0,1]=4 584 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|1,0,0]=3 585 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,2,0,0,0,0|2,0,0]=4 588 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,2,0,0,0,0|1,0,0]=3 590 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,2,0,0,0,0|1,1,0]=4 591 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,2,0,0,0,0|1,1,0]=4 592 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,2,0,0,0,0|1,0,0]=3 593 B8R0.11 CCC(C#CC=O)CC CNP0475333.0 [0,2,0,0,0,0|1,0,1]=4 594 B8R0.12 C=CCC(C)(O)C(C)C CNP0517978.0 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,2,0,0,0,0|0,0,0]=2 596 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [0,2,0,0,0,0|0,0,2]=4 597 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|0,0,2]=4 598 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,1,0,0|1,0,0]=3 599 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|1,0,1]=4 600 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,1,0,0|2,0,0]=4 601 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|1,0,1]=4 602 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,1,0,0|0,1,1]=4 603 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|0,1,1]=4 604 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,1,0,0|0,1,1]=4 605 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|1,0,1]=4 606 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|1,0,1]=4 607 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [1,0,0,1,0,0|1,0,1]=4 608 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [1,0,0,1,0,0|1,0,1]=4 609 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,1,0]=3 610 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|1,1,0]=4 611 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|1,0,1]=4 612 B6R1.9 CC1CC1(C)C CNP0507743.0 [1,0,0,1,0,0|1,0,1]=4 613 B6R1.10 CC1(CCO1)C CNP0252865.0 [1,0,0,1,0,0|0,0,2]=4 614 B6R1.10 CC1(CCS1)C CNP0181332.0 [1,0,0,1,0,0|0,1,1]=4 615 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|2,0,0]=4 616 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|2,0,0]=4 617 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|2,0,0]=4 618 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|2,0,0]=4 619 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,1,0,0|0,0,2]=4 620 B6R1.1 C1CSCCS1 CNP0316640.0 [1,0,0,1,0,0|2,0,0]=4 621 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,1,0,0|0,1,1]=4 622 B6R1.1 C1CSSCS1 CNP0173795.0 [1,0,0,1,0,0|1,1,0]=4 623 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|1,0,0]=3 624 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,1,0,0|0,1,1]=4 628 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|1,1,0]=4 629 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|0,1,0]=3 630 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.4 C[C@H]1SSC[C@@H](S1)C CNP0523637.1 [0,1,0,1,0,0|1,1,0]=4 645 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.2 CSC1CSSSC1 CNP0272096.0 [0,1,0,1,0,0|1,1,0]=4 665 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|0,1,0]=3 670 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|0,0,2]=4 674 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,1,0,0|0,0,2]=4 675 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|0,1,0]=3 677 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,1,0,1,0,0|0,0,2]=4 678 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.52 CSC1(CC=CO1)C CNP0557096.0 [0,1,0,1,0,0|0,0,1]=3 685 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.11 CC1SCCN1N=O CNP0484852.0 [0,1,0,1,0,0|2,0,0]=4 689 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|2,0,0]=4