0 B6R0.6 C#CCCCCO CNP0289179.0 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C=CCCN=C=S CNP0107519.0 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=COCCCC CNP0077236.0 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 CC#CCCCO CNP0320046.0 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 CC=CCCCO CNP0309139.0 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 CCC=CCCC CNP0391454.0 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 CCC=CN=C=S CNP0076586.0 [0,0,0,0,0,0|0,0,2]=2 14 B6R0.6 CCCC#CCO CNP0314465.0 [0,0,0,0,0,0|1,1,2]=4 15 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,0,0,0,0|1,1,2]=4 16 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,0,0,0,0|1,1,2]=4 17 B6R0.6 CCCC=CNO CNP0162409.0 [0,0,0,0,0,0|2,1,1]=4 18 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,0,0,0,0|1,1,1]=3 19 B6R0.6 CCCCC=NO CNP0149695.0 [0,0,0,0,0,0|2,1,0]=3 20 B6R0.6 CCCCCC#N CNP0412353.0 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 CCCCCC=O CNP0304790.0 [0,0,0,0,0,0|1,1,1]=3 22 B6R0.6 CCCCCCC CNP0290800.0 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.6 CCCCCCN CNP0213933.0 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 CCCCCCO CNP0317600.0 [0,0,0,0,0,0|1,1,1]=3 25 B6R0.6 CCCCCCS CNP0167948.0 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,0,0,0,0,0|1,1,1]=3 27 B6R0.6 CCCCCNC CNP0276164.0 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 CCCCCOC CNP0358174.0 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.6 CCCCCSC CNP0293012.0 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 CCCCCSS CNP0228282.0 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.6 CCCCN=C=S CNP0328773.0 [0,0,0,0,0,0|0,0,0]=0 32 B6R0.6 CCCCNC=O CNP0082472.0 [0,0,0,0,0,0|0,1,2]=3 33 B6R0.6 CCCCOC=O CNP0282325.0 [0,0,0,0,0,0|1,1,1]=3 34 B6R0.6 CCCCON=O CNP0003508.0 [0,0,0,0,0,0|2,1,0]=3 35 B6R0.6 CCCCSSC CNP0532819.0 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.6 CCCNCCC CNP0129820.0 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.6 CCCOCCO CNP0079853.0 [0,0,0,0,0,0|2,1,1]=4 38 B6R0.6 CCCSCCC CNP0173387.0 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 CCCSSCC CNP0322971.0 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.6 CCCSSSC CNP0104471.0 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.6 CCOCCCO CNP0304052.0 [0,0,0,0,0,0|2,1,1]=4 42 B6R0.6 CCOCCCS CNP0267296.0 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.6 CCSCCCO CNP0355297.0 [0,0,0,0,0,0|2,1,1]=4 44 B6R0.6 CNCCCCN CNP0157274.0 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.6 COCCCCO CNP0570905.0 [0,0,0,0,0,0|2,1,1]=4 46 B6R0.6 CSCCCC#N CNP0286857.0 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 CSCCCC=O CNP0002814.0 [0,0,0,0,0,0|2,1,1]=4 48 B6R0.6 CSCCCCO CNP0002400.0 [0,0,0,0,0,0|2,1,1]=4 49 B6R0.6 CSCCCN=S CNP0092190.0 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.6 CSCCN=C=S CNP0002691.0 [0,0,0,0,0,0|1,0,0]=1 51 B6R0.6 NCCCCC=O CNP0083786.0 [0,0,0,0,0,0|2,1,1]=4 52 B6R0.6 NCCCCCN CNP0184259.0 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 NCCCCCO CNP0032450.0 [0,0,0,0,0,0|2,1,1]=4 54 B6R0.6 OCCCCCO CNP0201249.0 [0,0,0,0,0,0|2,1,1]=4 55 B6R0.6 OCCCN=C=S CNP0612043.0 [0,0,0,0,0,0|1,0,0]=1 56 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [0,0,0,0,0,0|1,1,2]=4 57 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 C=CCN=C=S CNP0329428.0 [1,0,0,0,0,0|0,0,2]=3 60 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [1,0,0,0,0,0|0,0,2]=3 62 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,1,2]=4 65 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|0,1,1]=3 66 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,1,1]=3 68 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|0,1,1]=3 73 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|0,0,2]=3 74 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,1,0]=3 78 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|0,0,0]=1 79 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,1,1]=4 80 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|1,1,1]=4 85 B5R0.2 CCOCC#N CNP0184632.0 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,1,1]=4 87 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,1,1]=4 91 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|1,1,1]=4 93 B5R0.2 N#CCCCO CNP0358912.0 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.2 NCCCCN CNP0116270.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 NCCCCO CNP0514594.0 [1,0,0,0,0,0|1,1,1]=4 97 B5R0.2 OCCCCBr CNP0083982.0 [1,0,0,0,0,0|1,1,1]=4 98 B5R0.2 OCCCCCl CNP0079807.0 [1,0,0,0,0,0|1,1,1]=4 99 B5R0.2 OCCCCO CNP0080008.0 [1,0,0,0,0,0|1,1,1]=4 100 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|0,0,2]=3 101 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.1 C=CCCCCCC CNP0246919.0 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.1 C=CCCCCCO CNP0075956.0 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.1 C=CCCCN=C=S CNP0144953.0 [0,1,0,0,0,0|0,0,1]=2 106 B7R0.1 C=CCCN=CC=S CNP0091885.0 [0,1,0,0,0,0|0,0,3]=4 107 B7R0.1 CC=CCCCCC CNP0199237.0 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.1 CCC#CCCCC CNP0602501.0 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.1 CCC=CCCCC CNP0084702.0 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,1,0,0,0,0|1,1,1]=4 112 B7R0.1 CCCCC=CCO CNP0191159.0 [0,1,0,0,0,0|1,1,1]=4 113 B7R0.1 CCCCCCC#N CNP0186663.0 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.1 CCCCCCC=O CNP0243745.0 [0,1,0,0,0,0|1,1,1]=4 115 B7R0.1 CCCCCCCC CNP0286567.0 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.1 CCCCCCCN CNP0186919.0 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.1 CCCCCCCO CNP0329737.0 [0,1,0,0,0,0|1,1,1]=4 118 B7R0.1 CCCCCCNC CNP0413437.0 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.1 CCCCCOC=O CNP0294368.0 [0,1,0,0,0,0|1,1,1]=4 121 B7R0.1 CCCCCOCC CNP0520137.0 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.1 CCCCCON=O CNP0511882.0 [0,1,0,0,0,0|2,1,0]=4 123 B7R0.1 CCCCCSSC CNP0201479.0 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,1,0,0,0,0|0,0,1]=2 125 B7R0.1 CCCCNCCO CNP0185911.0 [0,1,0,0,0,0|0,1,2]=4 126 B7R0.1 CCCCOCCO CNP0080154.0 [0,1,0,0,0,0|1,1,1]=4 127 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,1,0,0,0,0|0,0,1]=2 128 B7R0.1 CCNCCCCN CNP0107714.0 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.1 CCNCCNCC CNP0103183.0 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.1 CNCCCCCN CNP0390055.0 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.1 CNCCCCNC CNP0145070.0 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.1 CSCCCC=NO CNP0610383.0 [0,1,0,0,0,0|2,1,0]=4 133 B7R0.1 CSCCCCC#N CNP0183103.0 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.1 CSCCCN=C=S CNP0228923.0 [0,1,0,0,0,0|0,0,0]=1 135 B7R0.1 NCCCCCCN CNP0230906.0 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.1 NCCCCCCO CNP0568466.0 [0,1,0,0,0,0|1,1,1]=4 137 B7R0.1 NCCCCCNO CNP0455910.0 [0,1,0,0,0,0|2,1,0]=4 138 B7R0.1 OCCCCCCBr CNP0593386.0 [0,1,0,0,0,0|1,1,1]=4 139 B7R0.1 OCCCCCCO CNP0080019.0 [0,1,0,0,0,0|1,1,1]=4 140 B7R0.1 OCCCCCCS CNP0154751.0 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,1,0,0,0,0|0,0,0]=1 142 B7R0.1 S=C=NCCCCS CNP0504519.0 [0,1,0,0,0,0|0,0,0]=1 143 B7R0.1 SCCCCCCS CNP0089642.0 [0,1,0,0,0,0|1,0,2]=4 144 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,1,0,0,0,0|1,1,1]=4 145 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|1,1,1]=4 146 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [0,1,0,0,0,0|0,0,2]=3 150 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|1,1,1]=4 153 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,0,0,0,0|1,1,1]=4 156 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,1,0,0,0,0|1,1,1]=4 157 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|1,1,1]=4 158 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,0,0,0,0|1,1,1]=4 161 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,0,0,0,0|1,1,1]=4 162 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,1,0,0,0,0|0,0,0]=1 168 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,1,0,0,0,0|2,1,0]=4 170 B7R0.4 C=C(C)CCN=C=S CNP0114096.0 [0,1,0,0,0,0|0,0,1]=2 171 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,0,0,0,0|1,1,1]=4 172 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,1,0,0,0,0|1,1,1]=4 174 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [0,1,0,0,0,0|0,0,0]=1 175 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,1,0,0,0,0|0,1,2]=4 176 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,1,0,0,0,0|1,1,1]=4 177 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,1,0,0,0,0|2,1,0]=4 178 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,1,0,0,0,0|1,1,1]=4 179 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,0,0,0,0|1,1,1]=4 180 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,0,0,0,0|1,1,1]=4 181 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,0,0,0,0|1,1,1]=4 182 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,0,0,0,0|1,0,1]=3 183 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,0,0,0,0|1,1,1]=4 185 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,1,0,0,0,0|1,1,1]=4 187 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,1,0,0,0,0|1,1,1]=4 190 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,1,0,0,0,0|0,0,2]=3 192 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,0,0,0,0|1,1,1]=4 193 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,1,0,0,0,0|2,1,0]=4 194 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,1,0,0,0,0|2,1,0]=4 195 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.4 C[S@+]([O-])CCN=C=S CNP0519953.1 [0,1,0,0,0,0|1,0,0]=2 198 B7R0.4 C[S@H+]([O-])CCN=C=S CNP0547204.1 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,1,0,0,0,0|0,0,3]=4 201 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|1,1,1]=4 204 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|1,1,1]=4 207 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,1,0,0,0,0|1,1,1]=4 209 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|1,1,1]=4 210 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,1,0,0,0,0|1,1,1]=4 212 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,0,0,1,0,0|0,1,2]=4 214 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,0,0,1,0,0|1,1,1]=4 215 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|1,1,1]=4 220 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,1,0,0|1,0,2]=4 221 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|1,1,1]=4 222 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|1,0,2]=4 225 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|0,1,2]=4 230 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|1,1,1]=4 231 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|0,1,2]=4 232 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|1,1,1]=4 233 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|1,1,1]=4 234 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|0,1,1]=3 235 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|1,1,1]=4 236 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,1,0,0|1,0,2]=4 237 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|1,1,1]=4 239 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|1,1,1]=4 242 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|1,1,1]=4 243 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|1,1,1]=4 244 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|1,1,1]=4 246 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,0,1,0,0|1,0,2]=4 248 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,0,0,1,0,0|1,1,1]=4 249 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,1,0,0|1,1,1]=4 250 B7R1.24 C1CCCCCC1 CNP0223227.0 [0,0,0,1,0,0|2,0,1]=4 251 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|0,0,2]=4 252 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|0,1,1]=4 255 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,1,1]=4 256 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,1]=3 257 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|0,0,1]=3 259 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,1,0]=3 260 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,0,1]=3 261 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|0,0,2]=4 262 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,1,0]=4 265 B4R0.2 CCN=C=S CNP0601773.0 [2,0,0,0,0,0|0,0,0]=2 266 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|1,1,0]=4 269 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,1,0]=4 272 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,1,0]=4 274 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|1,1,0]=4 275 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,1,0]=4 276 B4R0.2 NCCCN CNP0566837.0 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,0,1]=4 278 B4R0.2 NCCCS CNP0560812.0 [2,0,0,0,0,0|1,0,1]=4 279 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,1,0]=4 280 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,1,0]=4 281 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,1]=4 282 B4R0.2 SCCCS CNP0528691.0 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|0,0,2]=4 284 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.1 CCC(C)C=NO CNP0605626.0 [1,1,0,0,0,0|0,1,1]=4 289 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,1,0,0,0,0|0,1,1]=4 290 B6R0.1 CCC(C)ON=O CNP0521211.0 [1,1,0,0,0,0|1,1,0]=4 291 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,1,0,0,0,0|0,1,1]=4 292 B6R0.1 CCCC(C)C#N CNP0583202.0 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|0,1,1]=4 294 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|0,1,1]=4 296 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|0,1,1]=4 300 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,1,0,0,0,0|0,0,2]=4 301 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,1,0,0,0,0|0,1,1]=4 303 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [1,1,0,0,0,0|0,0,0]=2 304 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,1,0,0,0,0|0,1,1]=4 305 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [1,1,0,0,0,0|0,0,0]=2 306 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,1,0,0,0,0|0,1,1]=4 308 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,1,1]=4 310 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|0,1,1]=4 311 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,1,0,0,0,0|0,0,0]=2 312 B6R0.4 CC(C)CON=O CNP0224607.0 [1,1,0,0,0,0|1,1,0]=4 313 B6R0.4 CCCCB(O)O CNP0482760.0 [1,1,0,0,0,0|1,1,0]=4 314 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,1,1]=4 315 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|0,1,1]=4 316 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|0,1,1]=4 317 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|0,1,1]=4 319 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,1,0,0,0,0|0,1,1]=4 320 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,1,0,0,0,0|0,1,1]=4 321 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|0,0,2]=4 322 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [0,2,0,0,0,0|0,0,0]=2 325 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [0,2,0,0,0,0|0,0,2]=4 326 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,2,0,0,0,0|0,0,0]=2 328 B8R0.4 CSC=CCCN=C=S CNP0268279.0 [0,2,0,0,0,0|0,0,1]=3 329 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,2,0,0,0,0|0,0,1]=3 331 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,2,0,0,0,0|0,0,1]=3 332 B8R0.7 CC(=N)CCCN=C=S CNP0589119.0 [0,2,0,0,0,0|0,0,0]=2 333 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,2,0,0,0,0|0,0,0]=2 334 B8R0.7 CSCCCNC(=S)N CNP0388226.0 [0,2,0,0,0,0|0,0,2]=4 335 B8R0.7 C[S@+]([O-])CCCN=C=S CNP0567636.1 [0,2,0,0,0,0|0,0,0]=2 336 B8R0.7 C[S@@+]([O-])CCCN=C=S CNP0567636.2 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.7 C[S@@H+]([O-])CCCN=C=S CNP0578831.1 [0,2,0,0,0,0|0,0,0]=2 338 B8R0.7 NC(=NCCCCO)N CNP0537615.0 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.7 NC(=S)NCCCCO CNP0407776.0 [0,2,0,0,0,0|0,0,2]=4 340 B8R0.7 NCCCCN=C(N)N CNP0307539.0 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,2,0,0,0,0|0,0,2]=4 342 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,2,0,0,0,0|1,0,1]=4 343 B8R0.28 C[C@H](O)CCNC(=S)N CNP0153742.1 [0,2,0,0,0,0|0,0,2]=4 344 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,1]=4 345 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|0,0,1]=3 346 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,1,0,0|1,0,1]=4 347 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|0,0,2]=4 348 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|0,1,1]=4 349 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|1,0,1]=4 350 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|0,1,1]=4 352 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,1,0,0|0,0,2]=4 353 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|1,0,1]=4 354 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|1,0,1]=4 355 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,1,0,0|1,0,1]=4 356 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,1,1]=4 357 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|0,1,1]=4 358 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|0,1,1]=4 359 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|0,0,2]=4 360 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|1,0,1]=4 361 B6R1.3 S=C=NC1CC1 CNP0158262.0 [1,0,0,1,0,0|0,0,0]=2 362 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,1,1]=4 363 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|1,0,1]=4 364 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,1,0,1,0,0|1,0,1]=4 367 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,1,0,1,0,0|0,1,1]=4 368 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,1,0,1,0,0|1,0,1]=4 370 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,1,0,0|0,0,2]=4 371 B8R1.7 S=C(S)N1CCCC1 CNP0337104.0 [0,1,0,1,0,0|0,0,2]=4