0 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,0,0,0,0|1,1,0]=2 12 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,0,0,0,0,0|1,2,1]=4 13 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,0,0,0,0|0,0,0]=0 20 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,0,0,0,0|0,1,0]=1 21 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 CNCCCCNC CNP0145070.0 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 CSCCCC=NO CNP0610383.0 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.1 CSCCCCC#N CNP0183103.0 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 CSCCCN=C=S CNP0228923.0 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|0,0,2]=3 38 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|2,1,0]=4 40 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|0,0,0]=1 44 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [1,0,0,0,0,0|1,1,1]=4 48 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [1,0,0,0,0,0|1,1,1]=4 49 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|0,1,1]=3 55 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|0,0,0]=1 56 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,0,0,0,0|0,1,2]=4 57 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|1,0,2]=4 68 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|1,1,0]=3 73 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|1,1,1]=4 78 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|1,1,1]=4 81 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|1,0,0]=2 86 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|0,1,0]=2 87 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|1,1,0]=3 88 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,0,0,0,0|2,0,0]=3 96 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,0|3,0,0]=4 97 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,0|1,0,0]=2 98 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,1,0,0,0,0|2,0,0]=3 100 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,1,0,0,0,0|3,0,0]=4 103 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,1,0,0,0,0|1,0,1]=3 105 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|1,0,1]=3 106 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|3,0,0]=4 111 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|2,0,0]=3 114 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|1,0,0]=2 115 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,1,0,0,0,0|2,0,0]=3 117 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|0,0,0]=1 118 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|1,0,1]=3 119 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|2,0,0]=3 121 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|1,0,0]=2 123 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,0,0,0,0|0,0,0]=1 124 B9R0.20 CSCSCS(=O)(=O)SC CNP0149615.0 [0,1,0,0,0,0|2,1,0]=4 125 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|2,0,0]=3 127 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,1,0,0,0,0|3,0,0]=4 129 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|1,0,0]=2 130 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,1,0,0,0,0|1,0,2]=4 131 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,1,0,0,0,0|1,0,2]=4 132 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,1,0,0,0,0|2,0,1]=4 133 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,1,0,0,0,0|0,1,1]=3 135 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,0|1,0,0]=2 138 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,1,0,0,0,0|1,0,1]=3 141 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,0,0,0,0|1,0,1]=3 142 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,0,0,0,0|3,0,0]=4 144 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|1,0,0]=2 145 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|2,0,0]=3 147 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,1,0,0,0,0|1,0,1]=3 149 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,1,0,0,0,0|2,0,0]=3 150 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,1,0,0,0,0|3,0,0]=4 151 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|2,0,0]=3 153 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,0,0,0,0|3,0,0]=4 154 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|2,0,0]=3 155 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|3,0,0]=4 156 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|3,0,0]=4 157 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,1,0,0,0,0|2,0,0]=3 158 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,0,0,1,0,0|1,1,0]=3 162 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,0,0,1,0,0|1,0,2]=4 163 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,0,0,1,0,0|1,0,2]=4 164 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,0,0,1,0,0|1,0,2]=4 165 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,0,0,1,0,0|1,0,2]=4 166 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|2,0,0]=3 169 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,1,0,0|3,0,0]=4 171 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,0,0,1,0,0|3,0,0]=4 172 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,0,0,1,0,0|1,0,1]=3 174 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,0,0,1,0,0|3,0,0]=4 178 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,1,0]=4 182 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,1]=3 193 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|0,0,1]=3 194 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|0,1,1]=4 200 B6R0.6 CSCCCC#N CNP0286857.0 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|0,0,0]=2 202 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|0,0,1]=3 203 B6R0.6 CSCCCN=S CNP0092190.0 [2,0,0,0,0,0|1,1,0]=4 204 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.6 O=CCCCC=O CNP0204417.0 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.1 CC=C(C)CSC CNP0003230.0 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 210 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 215 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 216 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|0,1,1]=4 223 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|0,0,0]=2 224 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|0,1,0]=3 225 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,2]=4 227 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,2]=4 228 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|0,1,1]=4 229 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|1,1,0]=4 231 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|1,1,0]=4 235 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 236 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,2]=4 237 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,2]=4 238 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 239 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,0]=2 241 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,0]=2 243 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,0]=2 245 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,2]=4 246 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,2]=4 247 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,0]=3 249 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,0]=3 250 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,0]=3 251 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.4 CSC=CC(=O)O CNP0140653.0 [2,0,0,0,0,0|0,0,2]=4 255 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|0,0,0]=2 256 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|0,0,0]=2 258 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [2,0,0,0,0,0|0,0,2]=4 259 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|1,1,0]=4 262 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|0,1,0]=3 264 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|0,1,1]=4 265 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|0,1,1]=4 266 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.4 CCCCCCOCC CNP0609034.0 [1,1,0,0,0,0|1,0,1]=4 274 B8R0.4 CCCCCCSSC CNP0510251.0 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.4 COCCOCCOC CNP0466646.0 [1,1,0,0,0,0|0,1,1]=4 276 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,1,0,0,0,0|2,0,0]=4 277 B8R0.4 CSCCCN=CC=S CNP0098576.0 [1,1,0,0,0,0|2,0,0]=4 278 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [1,1,0,0,0,0|2,0,0]=4 279 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|2,0,0]=4 281 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|2,0,0]=4 282 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,1,0,0,0,0|2,0,0]=4 283 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,0]=3 285 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,0]=3 286 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,0]=2 287 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|1,0,0]=3 288 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|0,1,0]=3 289 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|0,1,0]=3 290 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,0]=3 291 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|2,0,0]=4 292 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,0]=3 293 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,0]=3 294 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,0]=3 295 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|2,0,0]=4 296 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [1,1,0,0,0,0|1,1,0]=4 297 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|1,0,0]=3 298 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,1,0,0,0,0|2,0,0]=4 299 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|1,0,1]=4 300 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,0]=3 301 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,2]=4 304 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|0,0,1]=3 305 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,1,0,0,0,0|0,1,1]=4 306 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,1,0,0,0,0|0,1,1]=4 307 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,0]=2 308 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|0,1,0]=3 310 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|1,0,0]=3 311 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,1,0,0,0,0|0,0,2]=4 314 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|1,0,1]=4 315 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,2]=4 317 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|0,0,2]=4 318 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,0]=3 319 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,0]=3 320 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,0]=2 322 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,0]=2 323 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|0,1,1]=4 324 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|0,0,0]=2 325 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|1,0,0]=3 331 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|1,0,0]=3 333 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|2,0,0]=4 334 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|1,0,0]=3 335 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|1,1,0]=4 336 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [1,1,0,0,0,0|1,1,0]=4 337 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,1,0,0,0,0|2,0,0]=4 338 B8R0.21 CSCCC[N+](C)(C)C CNP0070476.0 [1,1,0,0,0,0|2,0,0]=4 339 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,1,0,0,0,0|1,0,0]=3 340 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,1,0,0,0,0|1,0,1]=4 343 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [1,1,0,0,0,0|1,0,0]=3 345 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|1,0,0]=3 346 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|1,0,0]=3 353 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [1,1,0,0,0,0|1,1,0]=4 354 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [1,1,0,0,0,0|1,0,0]=3 355 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|1,0,0]=3 356 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [1,1,0,0,0,0|2,0,0]=4 357 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,2,0,0,0,0|1,0,0]=3 358 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|1,0,0]=3 359 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|1,0,0]=3 360 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,2,0,0,0,0|2,0,0]=4 361 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,2,0,0,0,0|2,0,0]=4 362 B10R0.57 COC(=O)C(N)CCC(=O)O CNP0082233.0 [0,2,0,0,0,0|2,0,0]=4 363 B10R0.57 COC(=O)[C@H](N)CCC(=O)N CNP0111984.1 [0,2,0,0,0,0|2,0,0]=4 364 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [0,2,0,0,0,0|0,1,0]=3 365 B10R0.59 COC(=O)COCC(=O)OC CNP0414365.0 [0,2,0,0,0,0|0,1,1]=4 366 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|1,0,1]=4 367 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|2,0,0]=4 368 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,2,0,0,0,0|1,0,0]=3 369 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|2,0,0]=4 371 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|1,0,0]=3 372 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,0]=2 374 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|1,0,1]=4 375 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|1,0,0]=3 376 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,2,0,0,0,0|2,0,0]=4 377 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|1,0,0]=3 380 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|0,0,0]=2 381 B10R0.24 CSCCC=C(C=O)CSC CNP0002763.0 [0,2,0,0,0,0|0,1,1]=4 382 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,2,0,0,0,0|2,0,0]=4 383 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,2,0,0,0,0|2,0,0]=4 384 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,2,0,0,0,0|1,0,0]=3 385 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|1,0,0]=3 386 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,2,0,0,0,0|1,1,0]=4 387 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,2,0,0,0,0|2,0,0]=4 389 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,2,0,0,0,0|2,0,0]=4 390 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|2,0,0]=4 391 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|2,0,0]=4 392 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|1,0,0]=3 393 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|1,0,0]=3 394 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|1,1,0]=4 395 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,2,0,0,0,0|1,0,1]=4 396 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|2,0,0]=4 397 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,2,0,0,0,0|2,0,0]=4 398 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CNP0140271.1 [0,2,0,0,0,0|0,1,1]=4 399 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CNP0177660.1 [0,2,0,0,0,0|0,1,1]=4 400 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CNP0140271.2 [0,2,0,0,0,0|0,1,1]=4 401 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|1,0,0]=3 402 B10R0.85 CCOC[C@@H](NC)C(=O)OC CNP0524975.1 [0,2,0,0,0,0|2,0,0]=4 403 B10R0.85 CCOC[C@H](NC)C(=O)OC CNP0524975.2 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.85 CN[C@@H](CCSC)C(=O)OC CNP0087048.1 [0,2,0,0,0,0|0,0,0]=2 405 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|1,0,0]=3 406 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,2,0,0,0,0|1,0,0]=3 407 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,2,0,0,0,0|1,0,1]=4 408 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,2,0,0,0,0|1,0,0]=3 409 B10R0.55 COC(=O)CCCNC(=N)N CNP0188338.0 [0,2,0,0,0,0|1,0,1]=4 410 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,2,0,0,0,0|1,0,1]=4 411 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,2,0,0,0,0|1,0,0]=3 412 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,2,0,0,0,0|1,0,0]=3 413 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,2,0,0,0,0|1,0,0]=3 414 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,2,0,0,0,0|1,0,0]=3 415 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,2,0,0,0,0|2,0,0]=4 416 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|1,0,0]=3 417 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,2,0,0,0,0|2,0,0]=4 418 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,2,0,0,0,0|1,1,0]=4 419 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|2,0,0]=4 420 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|1,0,1]=4 423 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,1,0,0|1,1,0]=4 427 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,0]=2 429 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,1,0,0|1,1,0]=4 430 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|0,1,0]=3 431 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,1,0]=4 432 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,0]=3 433 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|0,1,1]=4 436 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|1,0,1]=4 437 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|1,0,1]=4 442 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|1,0,1]=4 444 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|1,0,0]=3 447 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 448 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|1,0,0]=3 449 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|2,0,0]=4 450 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,1,0,0|1,0,0]=3 452 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,0]=3 453 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,1,0,0|1,0,0]=3 455 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [1,0,0,1,0,0|1,0,0]=3 456 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,1,0,0|1,0,0]=3 460 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [1,0,0,1,0,0|1,0,0]=3 461 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,1,0,0|1,0,0]=3 464 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [1,0,0,1,0,0|1,0,0]=3 465 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [1,0,0,1,0,0|1,0,1]=4 467 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [1,0,0,1,0,0|1,0,1]=4 469 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,1,0,1,0,0|2,0,0]=4 471 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,1,0,0|2,0,0]=4 472 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,1,0,0|2,0,0]=4 473 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,1,0,1,0,0|2,0,0]=4 474 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,1,0,1,0,0|2,0,0]=4 475 B10R1.14 COC(=O)[C@@H]1CS[S@@+](C1)[O-] CNP0482624.1 [0,1,0,1,0,0|1,0,0]=3 476 B10R1.14 COC(=O)[C@@H]1CS[S@@H+](C1)[O-] CNP0496688.1 [0,1,0,1,0,0|1,0,0]=3 477 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,1,0,1,0,0|2,0,0]=4 478 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,1,0,1,0,0|2,0,0]=4 479 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,1,0,0|2,0,0]=4 480 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,1,0,1,0,0|2,0,0]=4 481 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|1,0,0]=3 483 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|1,0,0]=3 484 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|1,0,0]=3 485 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|1,0,0]=3 486 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,1,0,0|1,0,1]=4 487 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|1,0,0]=3 488 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,1,0,1,0,0|2,0,0]=4 492 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,1,0,1,0,0|1,0,1]=4 494 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,1,0,1,0,0|1,0,1]=4 495 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|1,0,0]=3 496 B10R1.15 COC(=O)C1CSSSC1 CNP0208641.0 [0,1,0,1,0,0|1,0,0]=3 497 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,1,0,0|1,0,0]=3 498 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|2,0,0]=4 499 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,1,0,0|1,0,0]=3 500 B10R1.411 COC(=O)[C@@]1(CCSC1)N CNP0515749.2 [0,1,0,1,0,0|0,0,0]=2 501 B10R1.411 COC(=O)[C@]1(CCSC1)N CNP0515749.1 [0,1,0,1,0,0|0,0,0]=2 502 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|1,0,1]=4 503 B10R1.473 CCC1(CCC(=O)CC1)O CNP0380589.0 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,1,0,1,0,0|2,0,0]=4 505 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,1,0,1,0,0|1,0,0]=3 507 B10R1.149 COC(=O)[C@@H]1CCCN1N CNP0562271.1 [0,1,0,1,0,0|2,0,0]=4 508 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|1,0,0]=3 509 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|2,0,0]=4 511 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|2,0,0]=4