0 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.3 CN1CCN(CC1)C CNP0276913.0 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,0,0,0,0,0|0,0,2]=2 10 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,0,0,0|1,0,1]=2 15 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,0,0,0|1,0,1]=3 18 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|0,0,3]=4 20 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|0,0,3]=4 21 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,0,0,0|0,0,1]=2 23 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.3 CC1CCOCO1 CNP0130543.0 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.3 CN1CCOCC1 CNP0225764.0 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,0,0,0|0,0,1]=2 29 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,0,0,0|1,0,1]=3 35 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,0,0,0|0,0,2]=3 37 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,0,0,0|1,0,2]=4 38 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,0,0,0|0,0,2]=3 39 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,0,0,0|1,0,2]=4 40 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,0,0,0|0,0,0]=1 42 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,0,0,0|0,0,2]=3 47 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,0,0,0|0,0,2]=3 50 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,1,0,0,0,0|0,0,3]=4 53 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,0,0,0|0,0,0]=1 54 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,0,0,0|1,0,1]=3 55 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,1,0,0,0,0|1,0,1]=3 56 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,1,0,0,0,0|0,0,2]=3 57 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,1,0,0,0,0|0,0,2]=3 58 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,0,0,0|0,0,0]=1 59 B9R1.1 OC[C@@H]1CC[C@H](CN1)O CNP0271458.1 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,1,0,0,0,0|1,0,1]=3 61 B9R1.10 C[C@@]1(CC[C@H](CC1)O)O CNP0296660.1 [0,1,0,0,0,0|0,0,2]=3 62 B9R1.10 C[C@]1(C=CC(=O)CC1)O CNP0288961.1 [0,1,0,0,0,0|0,0,2]=3 63 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,0,0,0|1,0,2]=4 64 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,1,0,0,0,0|0,0,2]=3 65 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,0,0,0|0,0,2]=3 66 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,1,0,0,0,0|0,0,2]=3 68 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.69 C[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0205003.3 [0,1,0,0,0,0|1,0,2]=4 73 B9R1.69 C[C@@H]1C[C@H]([C@@H](CO1)O)O CNP0205003.2 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.69 C[C@@H]1C[C@H]([C@H](CO1)O)O CNP0205003.1 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,0,1,0,0,0|1,0,0]=2 81 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,0,1,0,0,0|0,0,2]=3 82 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,0,1,0,0,0|1,0,2]=4 83 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,0,1,0,0,0|1,0,2]=4 86 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,0,1,0,0,0|1,0,0]=2 87 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,0,1,0,0,0|2,0,0]=3 88 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,0,1,0,0,0|0,0,2]=3 89 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,0,1,0,0,0|0,0,2]=3 90 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,0,1,0,0,0|1,0,1]=3 91 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,0,1,0,0,0|0,0,0]=1 92 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,0,1,0,0,0|1,0,0]=2 93 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,0,1,0,0,0|2,0,1]=4 94 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,0,1,0,0,0|1,0,2]=4 95 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,0,1,0,0,0|1,0,1]=3 96 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,0,1,0,0,0|1,0,1]=3 97 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,0,1,0,0,0|0,0,2]=3 99 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,0,1,0,0,0|1,0,0]=2 102 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,0,1,0,0,0|1,1,1]=4 103 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,0,1,0,0,0|1,1,1]=4 106 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,0,1,0,0,0|1,1,1]=4 107 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,0,1,0,0,0|1,1,1]=4 108 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,0,1,0,0,0|2,0,0]=3 111 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,1,0,0,0|0,0,2]=3 114 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,1,0,0,0|1,0,2]=4 115 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,1,0,0,0|0,0,2]=3 116 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,1,0,0,0|1,0,1]=3 117 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,1,0,0,0|0,0,0]=1 121 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,1,0,0,0|2,0,1]=4 122 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,1,0,0,0|1,0,0]=2 123 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,1,0,0,0|1,0,0]=2 124 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,1,0,0,0|1,0,0]=2 125 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,1,0,0,0|1,0,2]=4 126 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,1,0,0,0|1,0,2]=4 127 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,1,0,0,0|1,0,0]=2 128 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,1,0,0,0|1,0,0]=2 129 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,1,0,0,0|1,0,0]=2 130 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,0,1,0,0,0|1,0,1]=3 131 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,0,1,0,0,0|2,0,1]=4 132 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,0,1,0,0,0|1,0,2]=4 133 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,1,0,0,0|2,0,0]=3 134 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,1,0,0,0|2,0,0]=3 136 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,1,0,0,0|2,0,0]=3 138 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,1,0,0,0|2,0,0]=3 139 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,1,0,0,0|2,0,0]=3 140 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,1,0,0,0|2,0,0]=3 142 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,1,0,0|1,0,0]=2 143 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,1,0,0|1,0,1]=3 144 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,1,0,0|0,0,0]=1 145 B9R2.49 C1=CC2CCC1CC2 CNP0168880.0 [0,0,0,1,0,0|1,0,2]=4 146 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,1,0,0|0,0,2]=3 147 B9R2.49 C1CN2CCC1CC2 CNP0466639.0 [0,0,0,1,0,0|2,0,0]=3 148 B9R2.49 C1CN2CCN1CC2 CNP0373566.0 [0,0,0,1,0,0|3,0,0]=4 149 B9R2.49 C1C[C@H]2CC[C@@H]1N=N2 CNP0063584.1 [0,0,0,1,0,0|2,0,1]=4 150 B9R2.110 OC12CCC(C1)CC2 CNP0551977.0 [0,0,0,1,0,0|0,0,2]=3 151 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,1,0|0,0,2]=3 152 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,0,1,0|1,0,2]=4 153 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,0,1,0|1,0,2]=4 154 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,0,1,0|0,1,2]=4 155 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,1,0|1,0,2]=4 156 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,0,1,0|3,0,0]=4 158 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,0,1,0|3,0,0]=4 159 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,0,1,0|3,0,0]=4 160 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,0,1,0|0,0,2]=3 161 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,0,1,0|1,0,2]=4 162 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,0,1,0|1,1,1]=4 163 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,0,1,0|0,0,0]=1 164 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,0,1,0|1,0,0]=2 165 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,0,1,0|0,0,2]=3 166 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,0,1,0|2,0,1]=4 167 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,0,1,0|1,0,0]=2 168 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,0,1,0|2,0,0]=3 169 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,0,1,0|1,0,0]=2 170 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,0,1,0|1,0,1]=3 171 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,0,1,0|2,0,1]=4 172 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,0,1,0|1,0,0]=2 173 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,0,1,0|1,0,0]=2 174 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,0,1,0|1,0,0]=2 175 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,0,1,0|2,1,0]=4 176 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,0,1,0|1,0,2]=4 177 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,0,1,0|2,0,1]=4 178 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,0,1,0|1,0,1]=3 179 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,0,1,0|2,0,1]=4 180 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,0,1,0|2,0,1]=4 181 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,0,1,0|2,0,0]=3 182 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,0,1,0|2,0,0]=3 183 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,0,1,0|2,0,0]=3 184 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,0,1,0|2,0,0]=3 185 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,0,1,0|2,0,0]=3 186 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,0,1,0|2,0,0]=3 187 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,0,1,0|2,0,1]=4 188 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,0,0,1|1,0,0]=2 189 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,1,0,0,0|1,0,1]=4 190 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|0,0,2]=4 191 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,1,0,0,0|0,0,2]=4 192 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,1,0,0,0|0,0,2]=4 193 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,1,0,0,0|1,0,0]=3 194 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,0,1,0,0,0|0,0,0]=2 196 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,0,1,0,0,0|1,0,0]=3 197 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,0,1,0,0,0|1,0,0]=3 198 B6R0.1 CCC(C)ON=O CNP0521211.0 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,1,0,0,0|1,0,1]=4 200 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,1,0,0,0|1,0,1]=4 201 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,1,0,0,0|0,0,0]=2 202 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,1,0,0,0|1,0,0]=3 203 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,1,0,0,0|1,0,0]=3 204 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,1,0,0,0|1,0,0]=3 205 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,1,0,0,0|0,0,1]=3 206 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,0,1,0,0,0|1,0,1]=4 207 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,0,1,0,0,0|1,0,1]=4 208 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,1,0,0,0|0,0,2]=4 209 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,1,0,0,0|0,0,1]=3 210 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,0,1,0,0,0|1,0,1]=4 211 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,0,1,0,0,0|1,0,1]=4 212 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,1,0,0,0|0,0,2]=4 213 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,1,0,0,0|1,0,0]=3 214 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,1,0,0,0|2,0,0]=4 215 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,1,0,0,0|1,0,0]=3 216 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,1,0,0,0|2,0,0]=4 217 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,1,0,0,0|2,0,0]=4 218 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,1,0,0,0|1,0,1]=4 219 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,1,0,0,0|1,0,0]=3 220 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,0,1,0,0,0|0,0,1]=3 221 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,0,1,0,0,0|0,0,1]=3 222 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,0,1,0,0,0|1,0,0]=3 226 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,1,0,0,0|0,0,2]=4 228 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,1,0,0,0|1,0,1]=4 229 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,0,1,0,0,0|1,0,1]=4 230 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,1,0,0,0|0,0,2]=4 231 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,1,0,0,0|1,0,1]=4 232 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,1,0,0,0|2,0,0]=4 233 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,1,0,0,0|2,0,0]=4 234 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,1,0,0,0|2,0,0]=4 235 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,1,0,0,0|2,0,0]=4 236 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,1,0,0,0|2,0,0]=4 237 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,1,0,0,0|2,0,0]=4 238 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,1,0,0,0|0,0,2]=4 239 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,0,1,0,0,0|1,0,1]=4 240 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,1,0,0,0|0,0,0]=2 241 B6R0.4 CC(C)CCCO CNP0344466.0 [1,0,1,0,0,0|0,0,2]=4 242 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,1,0,0,0|1,0,0]=3 243 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,1,0,0,0|1,0,0]=3 244 B6R0.4 CC(C)CON=O CNP0224607.0 [1,0,1,0,0,0|2,0,0]=4 245 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,0,1,0,0,0|0,0,1]=3 246 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,1,0,0,0|1,0,1]=4 247 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|0,0,2]=4 248 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,1,0,0,0|0,0,2]=4 249 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,1,0,0,0|0,0,0]=2 250 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,1,0,0,0|1,0,0]=3 251 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,1,0,0,0|1,0,0]=3 252 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,1,0,0,0|0,0,1]=3 253 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,1,0,0,0|1,0,0]=3 254 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,1,0,0,0|0,0,2]=4 255 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,1,0,0,0|0,0,2]=4 256 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,1,0,0,0|1,0,0]=3 257 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,1,0,0,0|1,0,0]=3 258 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,1,0,0,0|1,0,0]=3 259 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,1,0,0,0|1,0,1]=4 260 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,1,0,0,0|2,0,0]=4 261 B6R0.4 CCNCC(C)C CNP0165310.0 [1,0,1,0,0,0|1,0,1]=4 262 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,1,0,0,0|2,0,0]=4 263 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,1,0,0,0|2,0,0]=4 264 B6R0.4 CCSCC(C)C CNP0208462.0 [1,0,1,0,0,0|1,0,1]=4 265 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,1,0,0,0|2,0,0]=4 266 B6R0.4 CNCCC(C)C CNP0254439.0 [1,0,1,0,0,0|1,0,0]=3 267 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,1,0,0,0|1,0,0]=3 268 B6R0.4 COCCN(C)C CNP0429553.0 [1,0,1,0,0,0|2,0,0]=4 269 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,1,0,0,0|1,0,0]=3 270 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,1,0,0,0|2,0,0]=4 271 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,1,0,0,0|2,0,0]=4 273 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,1,0,0,0|2,0,0]=4 274 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,1,0,0,0|2,0,0]=4 275 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,1,0,0,0|1,0,0]=3 276 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,1,0,0,0|2,0,0]=4 277 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,1,0,0,0|2,0,0]=4 278 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,1,0,0,0|2,0,0]=4 279 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,1,0,0,0|2,0,0]=4 280 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,1,0,0,0|1,0,0]=3 281 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,1,0,0,0|2,0,0]=4 282 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,1,0,0,0|2,0,0]=4 283 B6R0.6 C=COCCCC CNP0077236.0 [1,0,1,0,0,0|2,0,0]=4 284 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,1,0,0,0|0,0,2]=4 285 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,1,0,0,0|0,0,1]=3 286 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,1,0,0,0|1,0,1]=4 287 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,1,0,0,0|1,0,1]=4 288 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,1,0,0,0|1,0,1]=4 289 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,1,0,0,0|0,0,2]=4 290 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,1,0,0,0|0,0,2]=4 291 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,1,0,0,0|0,0,1]=3 292 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,1,0,0,0|1,0,1]=4 293 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,2]=4 294 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,1,0,0,0|0,0,2]=4 296 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,1,0,0,0|2,0,0]=4 297 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,1,0,0,0|1,0,1]=4 298 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,1,0,0,0|0,0,0]=2 299 B6R0.6 CCCCCCC CNP0290800.0 [1,0,1,0,0,0|0,0,1]=3 300 B6R0.6 CCCCCCN CNP0213933.0 [1,0,1,0,0,0|1,0,1]=4 301 B6R0.6 CCCCCCO CNP0317600.0 [1,0,1,0,0,0|0,0,2]=4 302 B6R0.6 CCCCCCS CNP0167948.0 [1,0,1,0,0,0|0,1,1]=4 303 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,1,0,0,0|0,0,2]=4 304 B6R0.6 CCCCCNC CNP0276164.0 [1,0,1,0,0,0|1,0,1]=4 305 B6R0.6 CCCCCOC CNP0358174.0 [1,0,1,0,0,0|1,0,1]=4 306 B6R0.6 CCCCCSC CNP0293012.0 [1,0,1,0,0,0|1,0,1]=4 307 B6R0.6 CCCCCSS CNP0228282.0 [1,0,1,0,0,0|1,1,0]=4 308 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,1,0,0,0|1,0,0]=3 309 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,1,0,0,0|1,0,0]=3 310 B6R0.6 CCCCON=O CNP0003508.0 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.6 CCCCSSC CNP0532819.0 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.6 CCCNCCC CNP0129820.0 [1,0,1,0,0,0|1,0,1]=4 313 B6R0.6 CCCSCCC CNP0173387.0 [1,0,1,0,0,0|1,0,1]=4 314 B6R0.6 CCCSSCC CNP0322971.0 [1,0,1,0,0,0|2,0,0]=4 315 B6R0.6 CCOCCCO CNP0304052.0 [1,0,1,0,0,0|2,0,0]=4 316 B6R0.6 CCOCCCS CNP0267296.0 [1,0,1,0,0,0|2,0,0]=4 317 B6R0.6 CCSCCCO CNP0355297.0 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,1,0,0,0|1,0,0]=3 319 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,1,0,0,0|1,0,0]=3 320 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,1,0,0,0|1,0,1]=4 321 B6R1.1 C1=CCCCC1 CNP0275665.0 [2,0,0,0,0,0|0,0,1]=3 322 B6R1.1 C1=CCNCC1 CNP0086452.0 [2,0,0,0,0,0|1,0,1]=4 323 B6R1.1 C1=CNCCC1 CNP0200592.0 [2,0,0,0,0,0|1,0,1]=4 324 B6R1.1 C1=COCCC1 CNP0583467.0 [2,0,0,0,0,0|1,0,1]=4 325 B6R1.1 C1=NCCCC1 CNP0139263.0 [2,0,0,0,0,0|1,0,0]=3 326 B6R1.1 C1CCCCC1 CNP0220772.0 [2,0,0,0,0,0|0,0,1]=3 327 B6R1.1 C1CCNCC1 CNP0153358.0 [2,0,0,0,0,0|1,0,0]=3 328 B6R1.1 C1CCOCC1 CNP0484551.0 [2,0,0,0,0,0|1,0,0]=3 329 B6R1.1 C1CNCCN1 CNP0389558.0 [2,0,0,0,0,0|2,0,0]=4 330 B6R1.1 C1CNCCN1 CNP0554301.0 [2,0,0,0,0,0|2,0,0]=4 331 B6R1.1 C1COCCN1 CNP0167865.0 [2,0,0,0,0,0|2,0,0]=4 332 B6R1.1 C1COCCO1 CNP0353166.0 [2,0,0,0,0,0|2,0,0]=4 333 B6R1.1 C1COCSC1 CNP0517977.0 [2,0,0,0,0,0|2,0,0]=4 334 B6R1.1 C1CSCCS1 CNP0316640.0 [2,0,0,0,0,0|2,0,0]=4 335 B6R1.1 C1CSCSC1 CNP0221424.0 [2,0,0,0,0,0|2,0,0]=4 336 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [2,0,0,0,0,0|0,0,2]=4 337 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,1,0,0,0|0,0,2]=4 338 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,1,0,0,0|2,0,0]=4 340 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,1,0,0,0|0,0,1]=3 341 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,1,0,0,0|2,0,0]=4 342 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,1,0,0,0|0,0,0]=2 343 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,1,0,0,0|0,0,0]=2 344 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,1,0,0,0|1,0,1]=4 345 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,1,0,0,0|0,0,2]=4 346 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,1,0,0,0|1,0,0]=3 347 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,1,0,0,0|0,0,2]=4 348 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,1,0,0,0|1,0,1]=4 349 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,1,0,0,0|1,0,0]=3 350 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,1,0,0,0|1,0,0]=3 351 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,1,1,0,0,0|0,0,2]=4 352 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,1,1,0,0,0|0,0,2]=4 353 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,1,0,0,0|0,0,1]=3 354 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,1,0,0,0|0,0,0]=2 355 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,1,1,0,0,0|0,0,2]=4 356 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,1,1,0,0,0|1,0,1]=4 357 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,1,0,0,0|0,0,0]=2 358 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,1,0,0,0|1,0,0]=3 359 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,1,1,0,0,0|1,0,1]=4 360 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,1,1,0,0,0|0,0,2]=4 361 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,1,1,0,0,0|1,0,1]=4 362 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,1,1,0,0,0|0,0,2]=4 363 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,1,0,0,0|1,0,1]=4 364 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,1,1,0,0,0|2,0,0]=4 365 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,1,1,0,0,0|2,0,0]=4 366 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,1,1,0,0,0|2,0,0]=4 367 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO CNP0204667.2 [0,1,1,0,0,0|2,0,0]=4 368 B8R0.3 O=CC[C@H](O)[C@H](O)CO CNP0204667.1 [0,1,1,0,0,0|2,0,0]=4 369 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,1,0,0,0|0,0,2]=4 370 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,1,0,0,0|0,0,2]=4 371 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,1,0,0,0|0,0,2]=4 372 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,1,1,0,0,0|0,0,2]=4 373 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,1,0,0,0|1,0,1]=4 374 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,1,0,0,0|0,0,1]=3 375 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,1,0,0,0|1,0,1]=4 376 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,1,0,0,0|0,0,0]=2 377 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,1,0,0,0|1,0,0]=3 378 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,1,0,0,0|1,0,0]=3 379 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,1,0,0,0|1,0,0]=3 380 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,1,0,0,0|0,0,2]=4 381 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,1,0,0,0|1,0,1]=4 382 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,1,0,0,0|0,0,2]=4 383 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,1,0,0,0|0,0,0]=2 384 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,1,0,0,0|0,0,2]=4 385 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,1,0,0,0|0,0,2]=4 386 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,1,0,0,0|1,0,0]=3 387 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,1,0,0,0|1,0,0]=3 388 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,1,0,0,0|0,0,1]=3 389 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,1,0,0,0|1,0,1]=4 390 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,1,0,0,0|0,0,0]=2 391 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,1,0,0,0|0,0,0]=2 392 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,1,0,0,0|0,0,0]=2 393 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,1,1,0,0,0|1,0,1]=4 394 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,1,1,0,0,0|0,0,2]=4 395 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,1,1,0,0,0|1,0,1]=4 396 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,1,1,0,0,0|1,0,0]=3 397 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,1,1,0,0,0|2,0,0]=4 398 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,1,0,0,0|1,0,1]=4 399 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,1,1,0,0,0|1,0,0]=3 400 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,1,0,0,0|0,0,2]=4 401 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,1,0,0,0|0,0,2]=4 402 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,1,0,0,0|0,0,2]=4 403 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,1,0,0,0|0,0,1]=3 404 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,1,0,0,0|1,0,1]=4 405 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,1,0,0,0|0,0,0]=2 406 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,1,0,0,0|0,0,0]=2 407 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,1,0,0,0|1,0,1]=4 408 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,1,0,0,0|1,0,0]=3 409 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,1,0,0,0|0,0,2]=4 410 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,1,0,0,0|0,0,0]=2 411 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,1,0,0,0|1,0,1]=4 412 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,1,1,0,0,0|0,0,2]=4 413 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,1,0,0,0|0,0,2]=4 414 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,1,0,0,0|0,0,2]=4 415 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,1,0,0,0|1,0,0]=3 416 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,1,0,0,0|1,0,0]=3 417 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,1,0,0,0|0,0,2]=4 418 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,1,0,0,0|0,0,0]=2 419 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,1,1,0,0,0|1,1,0]=4 420 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,1,1,0,0,0|1,1,0]=4 421 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,1,0,0,0|1,0,0]=3 422 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,1,0,0,0|1,0,1]=4 423 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,1,0,0,0|1,0,0]=3 424 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,1,0,0,0|1,0,0]=3 425 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,1,0,0,0|2,0,0]=4 426 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,1,0,0,0|2,0,0]=4 427 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,1,0,0,0|2,0,0]=4 428 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,1,0,0,0|2,0,0]=4 429 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,1,1,0,0,0|0,0,1]=3 430 B8R0.11 CCC(C#CC=O)CC CNP0475333.0 [0,1,1,0,0,0|0,0,2]=4 431 B8R0.11 CCC(CO)CCNC CNP0141963.0 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,1,1,0,0,0|0,0,1]=3 433 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,1,1,0,0,0|0,0,1]=3 434 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [0,1,1,0,0,0|1,0,1]=4 435 B8R0.11 CCCCC(CC)CS CNP0002408.0 [0,1,1,0,0,0|0,1,1]=4 436 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,1,1,0,0,0|0,0,1]=3 437 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,1,1,0,0,0|0,0,2]=4 438 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,1,1,0,0,0|0,0,1]=3 439 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,1,1,0,0,0|0,0,2]=4 440 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,1,0,0,0|0,0,2]=4 441 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,1,0,0,0|0,0,0]=2 442 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,1,0,0,0|0,0,0]=2 443 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,1,1,0,0,0|1,0,1]=4 444 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,1,0,0,0|1,0,0]=3 445 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [0,1,1,0,0,0|0,0,2]=4 446 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [0,1,1,0,0,0|1,0,1]=4 447 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,1,0,0,0|1,0,0]=3 448 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [0,1,1,0,0,0|0,0,2]=4 449 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,1,0,0,0|1,0,0]=3 450 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,1,0,0,0|2,0,0]=4 451 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,1,1,0,0,0|2,0,0]=4 452 B8R0.25 CCCC[Si](Cl)(Cl)CC CNP0222003.0 [0,1,1,0,0,0|1,1,0]=4 453 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,1,0,0,0|1,0,1]=4 454 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,1,0,0,0|0,0,1]=3 455 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,1,0,0,0|0,0,0]=2 456 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,1,0,0,0|0,0,2]=4 457 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,1,0,0,0|0,0,1]=3 458 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,1,1,0,0,0|1,0,1]=4 459 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,1,0,0,0|0,0,0]=2 460 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,1,0,0,0|1,0,1]=4 461 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,1,1,0,0,0|1,0,0]=3 463 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,1,0,0,0|1,0,0]=3 464 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,1,0,0,0|1,0,0]=3 465 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,1,1,0,0,0|1,0,1]=4 466 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,1,1,0,0,0|1,0,0]=3 467 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,1,0,0,0|1,0,0]=3 468 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,1,0,0,0|1,0,0]=3 469 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,1,0,0,0|1,0,0]=3 470 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,1,0,0,0|1,0,0]=3 471 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,1,1,0,0,0|2,0,0]=4 473 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,1,1,0,0,0|2,0,0]=4 474 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,1,1,0,0,0|2,0,0]=4 478 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,1,1,0,0,0|0,0,2]=4 479 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,1,1,0,0,0|2,0,0]=4 480 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [0,1,1,0,0,0|2,0,0]=4 482 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,1,0,0,0,0|1,0,1]=4 483 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,1,0,0,0,0|1,0,1]=4 484 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,1,0,0,0,0|0,0,1]=3 485 B8R1.2 CCN1CCOCC1 CNP0382188.0 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,1,0,0,0,0|1,0,1]=4 487 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,1,0,0,0,0|1,0,1]=4 488 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,1,0,0,0,0|0,0,1]=3 489 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,1,0,0,0,0|0,0,2]=4 490 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [1,1,0,0,0,0|1,0,0]=3 491 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,1,0,0,0,0|0,0,1]=3 492 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,1,0,0,0,0|1,0,0]=3 493 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,1,0,0,0,0|0,0,1]=3 494 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,1,0,0,0,0|0,0,2]=4 495 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,1,0,0,0,0|0,0,1]=3 496 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,1,0,0,0,0|1,0,0]=3 497 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [1,1,0,0,0,0|1,0,0]=3 499 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,1,0,0,0,0|0,0,2]=4 501 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,1,0,0,0,0|1,0,1]=4 502 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,1,0,0,0,0|0,0,1]=3 503 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,1,0,0,0,0|1,0,1]=4 504 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,1,0,0,0,0|0,0,1]=3 505 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,1,0,0,0,0|1,0,1]=4 506 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,1,0,0,0,0|1,0,1]=4 507 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,1,0,0,0,0|0,0,1]=3 508 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,1,0,0,0,0|0,0,2]=4 509 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,1,0,0,0,0|0,0,2]=4 510 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,1,0,0,0,0|1,0,1]=4 511 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,1,0,0,0,0|0,0,2]=4 512 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,1,0,0,0,0|1,0,1]=4 513 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,1,0,0,0,0|1,0,1]=4 514 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,1,0,0,0,0|1,0,1]=4 515 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,1,0,0,0,0|0,0,2]=4 516 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,1,0,0,0,0|1,0,0]=3 517 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [1,1,0,0,0,0|2,0,0]=4 518 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,1,0,0,0,0|0,0,0]=2 519 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,1,0,0,0,0|1,0,0]=3 520 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,1,0,0,0,0|0,0,1]=3 521 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,1,0,0,0,0|0,0,1]=3 522 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [1,1,0,0,0,0|1,0,1]=4 523 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,1,0,0,0,0|0,0,1]=3 524 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,1,0,0,0,0|0,0,1]=3 525 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [1,1,0,0,0,0|1,0,1]=4 526 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,1,0,0,0,0|0,0,0]=2 527 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,1,0,0,0,0|1,0,0]=3 528 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,1,0,0,0,0|0,0,1]=3 529 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,1,0,0,0,0|0,0,1]=3 530 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [1,1,0,0,0,0|2,0,0]=4 531 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,1,0,0,0,0|0,0,2]=4 532 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,1,0,0,0,0|1,0,1]=4 533 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,1,0,0,0,0|1,0,0]=3 534 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,1,0,0,0,0|1,0,1]=4 535 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,1,0,0,0,0|1,0,1]=4 536 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,1,0,0,0,0|0,0,0]=2 537 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,1,0,0,0,0|0,0,1]=3 538 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,1,0,0,0,0|1,0,0]=3 539 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,1,0,0,0,0|0,0,1]=3 540 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,1,0,0,0,0|0,0,1]=3 541 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,1,0,0,0,0|0,0,2]=4 542 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,1,0,0,0,0|0,0,2]=4 543 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,1,0,0,0,0|1,0,0]=3 544 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,1,0,0,0,0|0,0,2]=4 545 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,1,0,0,0,0|0,0,2]=4 546 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [1,1,0,0,0,0|0,0,2]=4 547 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,1,0,0,0,0|0,0,2]=4 548 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,1,0,0,0,0|0,0,1]=3 549 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,1,0,0,0,0|0,0,0]=2 550 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [1,1,0,0,0,0|0,0,2]=4 551 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [1,1,0,0,0,0|0,0,2]=4 552 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [1,1,0,0,0,0|0,0,2]=4 553 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [1,1,0,0,0,0|0,0,2]=4 554 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [1,1,0,0,0,0|0,0,1]=3 555 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [1,1,0,0,0,0|0,0,1]=3 556 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [1,1,0,0,0,0|1,0,1]=4 557 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [1,1,0,0,0,0|2,0,0]=4 558 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,0,1,0|0,0,2]=4 559 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,0,1,0|1,0,0]=3 560 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,1,0,0,1,0|1,0,1]=4 561 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,1,0,0,1,0|1,0,1]=4 562 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,0,1,0|1,0,0]=3 563 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,0,1,0|1,0,0]=3 564 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,0,1,0|0,0,2]=4 565 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,1,0,0,1,0|1,0,1]=4 566 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,0,1,0|1,0,0]=3 567 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,0,1,0|1,0,0]=3 568 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,0,1,0|1,0,0]=3 569 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,0,1,0|0,0,0]=2 570 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,0,1,0|1,0,0]=3 571 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,0,1,0|1,0,0]=3 572 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,0,1,0|1,0,0]=3 573 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,0,1,0|1,0,0]=3 574 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,1,0,0,1,0|0,0,2]=4 575 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,1,0|0,0,2]=4 576 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,0,1,0|1,0,1]=4 577 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,0,1,0|1,0,0]=3 578 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,0,1,0|2,0,0]=4 579 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,1,0,0,1,0|1,0,1]=4 580 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,0,1,0|2,0,0]=4 581 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,0,1,0|0,0,2]=4 582 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,0,1,0|1,0,0]=3 583 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,0,1,0|1,0,0]=3 584 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,0,1,0|1,0,0]=3 585 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,0,1,0|1,0,0]=3 586 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,1,0,0,1,0|1,0,1]=4 587 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,0,1,0|1,0,0]=3 588 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,0,1,0|1,0,1]=4 589 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,1,0|0,0,2]=4 590 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,1,0|0,0,2]=4 591 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,0,1,0|1,0,1]=4 592 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,0,1,0|1,0,1]=4 593 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,0,1,0|1,0,0]=3 594 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,1,0,0,1,0|1,0,1]=4 595 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,0,1,0|2,0,0]=4 596 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,0,1,0|2,0,0]=4 597 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,0,1,0|1,0,0]=3 598 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,0,1,0|1,0,0]=3 599 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,1,0,0,1,0|1,0,1]=4 600 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,0,1,0|2,0,0]=4 601 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,0,1,0|0,0,1]=3 602 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,0,1,0|0,0,2]=4 603 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,1,0,0,1,0|1,0,1]=4 604 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,0,1,0|2,0,0]=4 605 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,0,1,0|2,0,0]=4 606 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,0,1,0|2,0,0]=4 607 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,0,1,0|2,0,0]=4 608 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,0,1,0|0,0,2]=4 609 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,0,1,0|1,0,0]=3 610 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,1,0,0,1,0|0,0,2]=4 611 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,1,0,0,1,0|1,0,1]=4 612 B8R1.51 O=S1(=O)CCC(C1)Br CNP0280858.0 [0,1,0,0,1,0|2,0,0]=4 613 B10R1.197 CC=C1CCC=C(CC1)C CNP0532842.0 [0,1,0,0,0,1|1,0,1]=4 614 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,0,0,1|0,0,0]=2 615 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,1,0,0,0,1|0,0,1]=3 616 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,1,0,0,0,1|0,0,2]=4 617 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,1,0,0,0,1|1,0,1]=4 618 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,0,0,1|1,0,0]=3 619 B10R1.1 C/C=C/[C@@H]1CC=C(CC1)C CNP0245559.2 [0,2,0,0,0,0|1,0,1]=4 620 B10R1.1 C/C=C/[C@H]1CC=C(CC1)C CNP0245559.1 [0,2,0,0,0,0|1,0,1]=4 621 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [0,2,0,0,0,0|1,0,1]=4 622 B10R1.1 CC1CCC(CC1)N=C=O CNP0522319.0 [0,2,0,0,0,0|0,0,1]=3 623 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [0,2,0,0,0,0|0,0,2]=4 624 B10R1.1 CON=C1CCC(CC1)C CNP0492431.0 [0,2,0,0,0,0|0,0,1]=3 625 B10R1.3 OCC1CCC(CC1)CO CNP0498480.0 [0,2,0,0,0,0|0,0,2]=4 626 B10R1.13 C=C(C)C1=CC[C@@H](CC1)C CNP0206542.2 [0,2,0,0,0,0|1,0,1]=4 627 B10R1.13 C=C(C)C1=CC[C@H](CC1)C CNP0206542.1 [0,2,0,0,0,0|1,0,1]=4 628 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,2,0,0,0,0|0,0,0]=2 629 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C CNP0282017.1 [0,2,0,0,0,0|1,0,1]=4 630 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C CNP0282017.2 [0,2,0,0,0,0|1,0,1]=4 631 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,2,0,0,0,0|1,0,1]=4 632 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,2,0,0,0,0|1,0,1]=4 633 B10R1.13 C=C1CCC(CC1)C(=C)C CNP0372229.0 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.13 C=C1CCC(CC1)C(=C)O CNP0196547.0 [0,2,0,0,0,0|1,0,1]=4 635 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,2,0,0,0,0|1,0,1]=4 639 B10R1.13 CC(=O)N1CCC(=O)CC1 CNP0046291.0 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,2,0,0,0,0|1,0,1]=4 641 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,2,0,0,0,0|1,0,1]=4 642 B10R1.13 CC(C)C1=CC[C@@H](CC1)C CNP0287005.1 [0,2,0,0,0,0|1,0,1]=4 643 B10R1.13 CC(C)C1=CC[C@H](CC1)C CNP0287005.2 [0,2,0,0,0,0|1,0,1]=4 644 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,2,0,0,0,0|0,0,0]=2 645 B10R1.13 CC(C)C1CCC(CC1)O CNP0080136.0 [0,2,0,0,0,0|0,0,2]=4 646 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,2,0,0,0,0|0,0,2]=4 647 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,2,0,0,0,0|0,0,2]=4 648 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [0,2,0,0,0,0|1,0,1]=4 650 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,2,0,0,0,0|1,0,1]=4 651 B10R1.13 CC1=CC[C@@H](CC1)N(C)C CNP0566252.1 [0,2,0,0,0,0|1,0,1]=4 652 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,2,0,0,0,0|1,0,1]=4 653 B10R1.13 CN1CCN(CC1)C(=O)O CNP0510233.0 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,2,0,0,0,0|0,0,0]=2 655 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [0,2,0,0,0,0|0,0,2]=4 656 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,2,0,0,0,0|0,0,0]=2 657 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,2,0,0,0,0|0,0,1]=3 658 B10R1.13 NC1CCN(CC1)C(=O)O CNP0024130.0 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,2,0,0,0,0|1,0,1]=4 660 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.25 O=C[C]1CCC(CC1O)O CNP0588610.0 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.473 C=C[C@]1(CC=C(CC1)C)C CNP0518793.1 [0,2,0,0,0,0|1,0,1]=4 664 B10R1.473 CCC1(CCC(=O)CC1)O CNP0380589.0 [0,2,0,0,0,0|0,0,0]=2 665 B10R1.473 CCC1(CNC(=O)CO1)C CNP0130864.0 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.473 CC[C@]1(CNC(=O)CO1)C CNP0130864.1 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.63 CC1=C[C@H](C(CC1)(C)C)O CNP0097325.1 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.147 C[C@@H]1CC(CCC1=O)(C)C CNP0194995.1 [0,2,0,0,0,0|0,0,0]=2 669 B10R1.118 C[C@@H]1C[C@@H]([C@@H](C[C@H]1O)O)O CNP0372553.5 [0,2,0,0,0,0|0,0,2]=4 670 B10R1.118 C[C@@H]1C[C@@H]([C@H](C[C@H]1C)C)C CNP0183365.1 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.118 C[C@@H]1C[C@H]([C@@H](C[C@@H]1O)O)O CNP0372553.6 [0,2,0,0,0,0|0,0,2]=4 672 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.118 C[C@@H]1O[C@H]([C@H](CC1=O)O)O CNP0321128.2 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.118 C[C@H]1C[C@@H]([C@@H](C[C@@H]1O)O)O CNP0372553.3 [0,2,0,0,0,0|0,0,2]=4 675 B10R1.118 C[C@H]1C[C@@H]([C@@H](C[C@H]1O)O)O CNP0372553.1 [0,2,0,0,0,0|0,0,2]=4 676 B10R1.118 C[C@H]1C[C@@H]([C@H](C[C@H]1O)O)O CNP0372553.4 [0,2,0,0,0,0|0,0,2]=4 677 B10R1.118 C[C@H]1C[C@H]([C@H](C[C@@H]1O)O)O CNP0372553.2 [0,2,0,0,0,0|0,0,2]=4 678 B10R1.118 C[C@H]1O[C@@H]([C@@H](CC1=O)O)O CNP0321128.1 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.119 C[C@H]1OCC(=O)[C@@H](C1=O)O CNP0447619.1 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.120 CC1(OC(=O)CC[C@@H]1O)C CNP0280120.1 [0,2,0,0,0,0|2,0,0]=4 682 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,0,1,1,0,0|1,0,1]=4 683 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,1,1,0,0|1,0,1]=4 684 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,1,1,0,0|2,0,0]=4 685 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,1,1,0,0|2,0,0]=4 686 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,1,1,0,0|0,0,2]=4 687 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,1,1,0,0|0,0,0]=2 688 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,1,1,0,0|1,0,0]=3 689 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,1,1,0,0|1,0,0]=3 690 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,1,1,0,0|2,0,0]=4 691 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,1,1,0,0|1,0,1]=4 692 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [0,0,1,1,0,0|1,0,1]=4 693 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,1,1,0,0|2,0,0]=4 694 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [1,0,0,1,0,0|1,0,0]=3 695 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [1,0,0,1,0,0|0,0,2]=4 696 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [1,0,0,1,0,0|0,0,1]=3 697 B8R2.8 CC12CCC1(C2)C CNP0076854.0 [0,0,0,1,1,0|1,0,1]=4 698 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,1,0,1|1,0,0]=3 699 B10R2.409 C1CC2CCC1CNC2 CNP0190314.0 [0,0,0,1,0,1|1,0,1]=4 700 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,1,0,1,0,0|1,0,1]=4 701 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [0,1,0,1,0,0|1,0,1]=4 702 B10R2.582 BrC12CCN(CC1)CC2 CNP0478442.0 [0,1,0,1,0,0|2,0,0]=4 703 B10R2.582 CC12CCN(CC1)CC2 CNP0442968.0 [0,1,0,1,0,0|2,0,0]=4 704 B10R2.582 ClC12CCN(CC1)CC2 CNP0440948.0 [0,1,0,1,0,0|2,0,0]=4 705 B10R2.582 IC12CCN(CC1)CC2 CNP0453423.0 [0,1,0,1,0,0|2,0,0]=4 706 B10R2.582 NC12CCN(CC1)CC2 CNP0442308.0 [0,1,0,1,0,0|2,0,0]=4 707 B10R2.43 CC1=CC(C2CC1C2)O CNP0570010.0 [0,1,0,1,0,0|1,0,1]=4 708 B10R3.266 C1CC23CC1CC2C3 CNP0610503.0 [0,0,0,2,0,0|1,0,1]=4 709 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,1,0,1,0|0,0,2]=4 710 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,1,0,1,0|1,0,1]=4 711 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,1,0,1,0|0,0,2]=4 712 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,1,0,1,0|1,0,1]=4 713 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,1,0,1,0|0,0,2]=4 714 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,1,0,1,0|1,0,1]=4 715 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,1,0,1,0|0,0,0]=2 716 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,1,0,1,0|1,0,0]=3 717 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,1,0,1,0|1,0,0]=3 718 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,1,0,1,0|1,0,0]=3 719 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,1,0,1,0|1,1,0]=4 720 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,1,0,1,0|1,0,0]=3 721 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,1,0,1,0|1,0,1]=4 722 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,1,0,1,0|0,0,2]=4 723 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,1,0,1,0|1,0,1]=4 724 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,1,0,1,0|1,0,1]=4 725 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,1,0,1,0|1,0,1]=4 726 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,1,0,1,0|2,0,0]=4 727 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,1,0,1,0|2,0,0]=4 728 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,1,0,1,0|2,0,0]=4 729 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,1,0,1,0|2,0,0]=4 730 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,1,0,1,0|2,0,0]=4 731 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,1,0,1,0|2,0,0]=4 732 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,1,0,1,0|2,0,0]=4 733 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,1,0,1,0|2,0,0]=4 734 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,1,0,1,0|2,0,0]=4 735 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,1,0,1,0|1,0,0]=3 736 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,1,0,1,0|1,0,1]=4 737 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,1,0,1,0|2,0,0]=4 738 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,1,0,1,0|2,0,0]=4 739 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,0,1,0|1,0,0]=3 740 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,1,0|0,0,2]=4 741 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,1,0|1,0,1]=4 742 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,1,0|1,0,1]=4 743 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,0,1,0|0,0,0]=2 744 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,0,1,0|1,0,0]=3 745 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,0,1,0|2,0,0]=4 746 B6R1.2 CC1SCCS1 CNP0002932.0 [1,0,0,0,1,0|2,0,0]=4 747 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,1,0|1,0,1]=4 748 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,0,1,0|1,0,0]=3 749 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,1,0|1,0,1]=4 750 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,0,1,0|1,0,0]=3 751 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,0,1,0|1,0,0]=3 752 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [1,0,0,0,1,0|2,0,0]=4 753 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,0,1,0|1,0,1]=4 754 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,0,1,0|2,0,0]=4 755 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,1,0|0,0,2]=4 756 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,0,1,0|0,0,0]=2 757 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,0,1,0|1,0,0]=3 758 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,0,1,0|1,0,0]=3 759 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,0,1,0|1,0,0]=3 760 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,0,1,0|2,0,0]=4 761 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,0,1,0|1,0,0]=3 762 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,0,1,0|2,0,0]=4 763 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,0,1,0|1,0,0]=3 764 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,0,1,0|2,0,0]=4 765 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,0,1,0|1,0,1]=4 766 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,0,1,0|1,0,0]=3 767 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,0,1,0|1,0,0]=3 768 B6R1.2 SC1CCCS1 CNP0002503.0 [1,0,0,0,1,0|2,0,0]=4 769 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,0,2,0|0,0,0]=2 770 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,0,2,0|1,0,0]=3 771 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,0,2,0|2,0,0]=4 772 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,0,1,0,0,1|1,0,1]=4 773 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,1,0,0,1|0,0,2]=4 774 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,0,1,0,0,1|2,0,0]=4 775 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,1,0,0,1|0,0,2]=4 776 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,0,1,0,0,1|2,0,0]=4 777 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,0,1,0,0,1|2,0,0]=4 778 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,0,1,0,0,1|0,0,1]=3 779 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,1,0,0,1|0,0,1]=3 780 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,1,0,0,1|1,0,1]=4 781 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,1,0,0,1|0,0,0]=2 782 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,1,0,0,1|1,0,1]=4 783 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,0,1,0,0,1|0,0,0]=2 784 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,1,0,0,1|0,0,2]=4 785 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,1,0,0,1|0,0,0]=2 786 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,0,1,0,0,1|1,0,0]=3 787 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,1,0,0,1|0,0,2]=4 788 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,0,1,0,0,1|0,1,0]=3 789 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,1,0,0,1|1,0,1]=4 790 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,0,1,0,0,1|1,0,0]=3 791 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,1,0,0,1|1,0,0]=3 792 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,0,1,0,0,1|1,0,0]=3 793 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,0,1,0,0,1|1,0,1]=4 794 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,0,1,0,0,1|1,0,1]=4 795 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,0,1,0,0,1|1,0,1]=4 796 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,0,1,0,0,1|0,0,2]=4 797 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [0,0,1,0,0,1|1,0,1]=4 798 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [0,0,1,0,0,1|1,0,1]=4 799 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [0,0,1,0,0,1|1,0,1]=4 800 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,1,0,0,1|2,0,0]=4 801 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,1,0,0,1|2,0,0]=4 802 B10R1.79 CC1=CCCC(=CCC1)C CNP0612141.0 [0,0,0,0,0,2|1,0,1]=4