0 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,0,0,0|0,0,2]=2 9 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,0,0,0|0,0,2]=3 15 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,0,0,0|1,0,1]=3 19 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,1,0,0,0|2,0,1]=4 23 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,1,0,0,0|2,0,0]=3 25 B7R0.1 C=CCCCCCO CNP0075956.0 [0,0,1,0,0,0|2,0,0]=3 26 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,1,0,0,0|2,0,0]=3 27 B7R0.1 CC=CCSCCC CNP0536250.0 [0,0,1,0,0,0|3,0,0]=4 28 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,0,1,0,0,0|1,0,2]=4 29 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,1,0,0,0|1,0,2]=4 30 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,1,0,0,0|1,0,1]=3 31 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,1,0,0,0|2,0,1]=4 32 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,1,0,0,0|1,0,0]=2 33 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,1,0,0,0|2,0,1]=4 34 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,1,0,0,0|1,0,1]=3 35 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,1,0,0,0|1,0,2]=4 36 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,0,1,0,0,0|0,1,2]=4 38 B7R0.1 CCCCCOC=O CNP0294368.0 [0,0,1,0,0,0|1,0,0]=2 39 B7R0.1 CCCCCOCC CNP0520137.0 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.1 CCCCCON=O CNP0511882.0 [0,0,1,0,0,0|2,0,0]=3 41 B7R0.1 CCCCCSSC CNP0201479.0 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,1,0,0,0|2,1,0]=4 43 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,1,0,0,0|2,1,0]=4 44 B7R0.1 CCNCCCCN CNP0107714.0 [0,0,1,0,0,0|2,0,1]=4 45 B7R0.1 CCNCCNCC CNP0103183.0 [0,0,1,0,0,0|2,0,1]=4 46 B7R0.1 CNCCCCCN CNP0390055.0 [0,0,1,0,0,0|2,0,0]=3 47 B7R0.1 NCCCCCCN CNP0230906.0 [0,0,1,0,0,0|1,0,1]=3 48 B7R0.1 NCCCCCCO CNP0568466.0 [0,0,1,0,0,0|0,0,2]=3 49 B7R0.1 NCCCCCNO CNP0455910.0 [0,0,1,0,0,0|1,0,1]=3 50 B7R0.1 NCCCNCCS CNP0050642.0 [0,0,1,0,0,0|1,1,1]=4 51 B7R0.1 OCCCCCCBr CNP0593386.0 [0,0,1,0,0,0|1,0,2]=4 52 B7R0.1 OCCCCCCO CNP0080019.0 [0,0,1,0,0,0|1,0,2]=4 53 B7R0.1 OCCCCCCS CNP0154751.0 [0,0,1,0,0,0|1,0,2]=4 54 B7R0.1 SCCCCCCS CNP0089642.0 [0,0,1,0,0,0|1,1,1]=4 55 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,0,1,0,0,0|1,0,2]=4 56 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,0,1,0,0,0|3,0,0]=4 57 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,0,1,0,0,0|2,0,0]=3 58 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,0,1,0,0,0|1,0,1]=3 59 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,0,1,0,0,0|1,0,2]=4 60 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,0,1,0,0,0|1,0,2]=4 61 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,0,1,0,0,0|2,0,0]=3 62 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,0,1,0,0,0|2,0,0]=3 63 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,0,1,0,0,0|1,0,1]=3 64 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,0,1,0,0,0|2,0,0]=3 65 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,0,1,0,0,0|1,0,0]=2 66 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,0,1,0,0,0|1,0,0]=2 67 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,0,1,0,0,0|1,0,2]=4 70 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,0,1,0,0,0|2,0,1]=4 71 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.3 CCCNC(=S)NN CNP0494468.0 [0,0,1,0,0,0|2,1,0]=4 73 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,0,1,0,0,0|1,0,0]=2 74 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,0,1,0,0,0|1,1,1]=4 75 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,0,1,0,0,0|2,0,0]=3 76 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,0,1,0,0,0|1,0,2]=4 78 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,0,1,0,0,0|2,0,1]=4 79 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,0,1,0,0,0|2,0,0]=3 81 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,0,1,0,0,0|1,0,1]=3 82 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,0,1,0,0,0|1,0,2]=4 83 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,1,0,0,0|2,0,1]=4 84 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,0,1,0,0,0|1,0,1]=3 85 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,0,1,0,0,0|2,0,0]=3 86 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,0,1,0,0,0|1,0,2]=4 87 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,1,0,0,0|1,0,2]=4 88 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,0,1,0,0,0|1,0,2]=4 89 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,1,0,0,0|1,0,1]=3 91 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,0,1,0,0,0|1,0,2]=4 92 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,0,1,0,0,0|1,0,0]=2 93 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,0,1,0,0,0|0,0,0]=1 94 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,1,0,0,0|1,0,0]=2 95 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,0,1,0,0,0|1,0,1]=3 96 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,0,1,0,0,0|2,0,1]=4 97 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,1,0,0,0|1,0,0]=2 98 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,0,1,0,0,0|1,0,1]=3 99 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,1,0,0,0|1,0,2]=4 100 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,0,1,0,0,0|1,1,1]=4 101 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,0,1,0,0,0|1,0,1]=3 102 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,1,0,0,0|1,0,2]=4 103 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,0,1,0,0,0|1,1,1]=4 104 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,0,1,0,0,0|1,1,0]=3 105 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,0,1,0,0,0|1,0,0]=2 106 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,0,1,0,0,0|2,0,1]=4 107 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,0,1,0,0,0|2,0,1]=4 108 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,0,1,0,0,0|2,0,0]=3 109 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,0,1,0,0,0|2,0,0]=3 110 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,1,0,0,0|2,0,0]=3 112 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,1,0,0,0|2,0,0]=3 113 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,0,1,0,0,0|2,0,0]=3 115 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,0,1,0,0,0|1,0,1]=3 117 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.4 N=C(N)NCCCO CNP0451152.0 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,0,1,0,0,0|2,0,0]=3 120 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,0,1,0,0,0|1,0,0]=2 121 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,0,1,0,0,0|2,0,0]=3 122 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,0,1,0,0,0|2,0,0]=3 124 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,0,1,0,0,0|1,0,2]=4 129 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,0,1,0,0,0|1,0,1]=3 130 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,0,1,0,0,0|1,0,2]=4 131 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,0,1,0,0,0|1,0,0]=2 133 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,0,1,0,0,0|1,0,0]=2 134 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,0,1,0,0,0|1,1,0]=3 135 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,0,1,0,0,0|2,0,1]=4 136 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,0,1,0,0,0|1,0,2]=4 137 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,0,1,0,0,0|2,0,1]=4 138 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,0,1,0,0,0|2,0,1]=4 139 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,0,1,0,0,0|2,0,0]=3 140 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,0,1,0,0,0|2,0,0]=3 143 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,0,1,0,0,0|3,0,0]=4 144 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,1,0,0|1,0,0]=2 145 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,1,0,0|1,0,0]=2 146 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,1,0,0|2,0,0]=3 147 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,1,0,0|0,0,0]=1 148 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,0,1,0|1,0,1]=3 150 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,0,1,0|1,0,0]=2 151 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,0,1,0|1,0,1]=3 152 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,0,1,0|1,0,1]=3 153 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,0,1,0|2,0,1]=4 154 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,0,1,0|2,0,1]=4 155 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,0,1,0|2,0,0]=3 156 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,0,1,0|1,0,1]=3 158 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,0,1,0|1,0,1]=3 159 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,0,1,0|1,0,1]=3 160 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,0,1,0|0,0,2]=3 161 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,0,1,0|0,0,2]=3 162 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,0,1,0|0,0,2]=3 163 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,0,1,0|1,0,2]=4 164 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,0,1,0|0,0,2]=3 165 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,0,1,0|0,0,0]=1 166 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,0,1,0|0,0,0]=1 167 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,0,1,0|1,0,0]=2 168 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,0,1,0|1,0,0]=2 169 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,0,1,0|1,0,0]=2 170 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,0,1,0|1,0,2]=4 171 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,0,1,0|0,0,2]=3 172 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,0,1,0|0,0,2]=3 173 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,0,1,0|0,0,2]=3 174 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,0,1,0|1,1,0]=3 175 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,0,0,0,1,0|2,0,1]=4 176 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,0,0,1|2,0,1]=4 177 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,0,0,1|1,0,0]=2 178 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,1,0,0,0|1,0,0]=3 179 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,1,0,0,0|1,0,1]=4 180 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,1,0,0,0|2,0,0]=4 181 B6R0.6 C=COCCCC CNP0077236.0 [1,0,1,0,0,0|1,0,1]=4 182 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,1,0,0,0|0,0,2]=4 183 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,1,0,0,0|1,0,0]=3 184 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,1,0,0,0|1,0,1]=4 187 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,1,0,0,0|0,0,2]=4 189 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,1,0,0,0|1,0,0]=3 190 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,2]=4 192 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,1,0,0,0|1,0,1]=4 194 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,1,0,0,0|0,0,2]=4 195 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,1,0,0,0|1,0,1]=4 196 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,1,0,0,0|0,0,2]=4 197 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,1,0,0,0|0,0,0]=2 198 B6R0.6 CCCCCCC CNP0290800.0 [1,0,1,0,0,0|1,0,1]=4 199 B6R0.6 CCCCCCN CNP0213933.0 [1,0,1,0,0,0|0,0,1]=3 200 B6R0.6 CCCCCCO CNP0317600.0 [1,0,1,0,0,0|0,0,2]=4 201 B6R0.6 CCCCCCS CNP0167948.0 [1,0,1,0,0,0|0,1,1]=4 202 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,1,0,0,0|0,0,2]=4 203 B6R0.6 CCCCCNC CNP0276164.0 [1,0,1,0,0,0|0,0,1]=3 204 B6R0.6 CCCCCOC CNP0358174.0 [1,0,1,0,0,0|1,0,1]=4 205 B6R0.6 CCCCCSC CNP0293012.0 [1,0,1,0,0,0|1,0,1]=4 206 B6R0.6 CCCCCSS CNP0228282.0 [1,0,1,0,0,0|1,1,0]=4 207 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,1,0,0,0|0,0,0]=2 208 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,1,0,0,0|1,0,0]=3 209 B6R0.6 CCCCON=O CNP0003508.0 [1,0,1,0,0,0|1,0,1]=4 210 B6R0.6 CCCCSSC CNP0532819.0 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.6 CCCNCCC CNP0129820.0 [1,0,1,0,0,0|0,0,1]=3 212 B6R0.6 CCCSCCC CNP0173387.0 [1,0,1,0,0,0|1,0,1]=4 213 B6R0.6 CCCSSCC CNP0322971.0 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.6 CNCCCCN CNP0157274.0 [1,0,1,0,0,0|1,0,1]=4 215 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,1,0,0,0|1,0,0]=3 216 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,1,0,0,0|0,0,0]=2 217 B6R0.6 NCCCCCN CNP0184259.0 [1,0,1,0,0,0|1,0,0]=3 218 B6R0.6 NCCCCCO CNP0032450.0 [1,0,1,0,0,0|0,0,1]=3 219 B6R0.6 NCCOCCN CNP0447264.0 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,1,0,0,0|1,0,1]=4 221 B6R0.6 OCCCCCO CNP0201249.0 [1,0,1,0,0,0|1,0,1]=4 222 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,1,0,0,0|1,0,1]=4 223 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|0,0,2]=4 224 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,1,0,0,0|0,0,2]=4 225 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,1,0,0,0|0,0,2]=4 226 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,1,0,0,0|1,0,0]=3 227 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,1,0,0,0|1,0,1]=4 228 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,1,0,0,0|1,0,1]=4 229 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,1,0,0,0|0,0,0]=2 230 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,1,0,0,0|1,0,0]=3 231 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,1,0,0,0|1,0,0]=3 232 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,1,0,0,0|1,0,0]=3 233 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,1,0,0,0|1,0,1]=4 234 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,1,0,0,0|0,0,2]=4 235 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,1,0,0,0|1,0,1]=4 236 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,0,1,0,0,0|1,0,1]=4 237 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,1,0,0,0|0,0,2]=4 238 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,1,0,0,0|0,0,0]=2 239 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,1,0,0,0|1,0,0]=3 240 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,1,0,0,0|1,0,0]=3 241 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,1,0,0,0|2,0,0]=4 242 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,1,0,0,0|1,0,0]=3 243 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,1,0,0,0|1,0,0]=3 244 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,1,0,0,0|2,0,0]=4 245 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,1,0,0,0|2,0,0]=4 247 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,1,0,0,0|2,0,0]=4 248 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,1,0,0,0|0,0,2]=4 249 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,1,0,0,0|0,0,2]=4 250 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,1,0,0,0|1,0,1]=4 251 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,1,0,0,0|1,0,0]=3 252 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,1,0,0,0|1,0,0]=3 253 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,1,0,0,0|1,0,0]=3 254 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,1,0,0,0|2,0,0]=4 255 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,1,0,0,0|2,0,0]=4 256 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,1,0,0,0|2,0,0]=4 257 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|0,0,2]=4 258 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,1,0,0,0|0,0,2]=4 259 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,1,0,0,0|0,0,0]=2 260 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,1,0,0,0|0,0,0]=2 261 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,1,0,0,0|1,0,0]=3 262 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,1,0,0,0|1,0,1]=4 263 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,1,0,0,0|1,0,0]=3 264 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,1,0,0,0|0,0,2]=4 265 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,1,0,0,0|0,0,2]=4 266 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,1,0,0,0|0,0,0]=2 267 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,1,0,0,0|1,0,0]=3 268 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,1,0,0,0|1,0,0]=3 269 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,1,0,0,0|1,0,0]=3 271 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,1,0,0,0|2,0,0]=4 273 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,1,0,0,0|1,0,0]=3 274 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,1,0,0,0|1,0,0]=3 275 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,1,0,0,0|2,0,0]=4 276 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,1,0,0,0|2,0,0]=4 277 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,1,0,0,0|2,0,0]=4 278 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,1,0,0,0|1,0,0]=3 279 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,1,0,0,0|2,0,0]=4 280 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,1,0,0,0|2,0,0]=4 281 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,1,0,0,0|2,0,0]=4 282 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,1,1,0,0,0|2,0,0]=4 283 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,1,0,0,0|2,0,0]=4 284 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,1,0,0,0|2,0,0]=4 285 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,1,1,0,0,0|2,0,0]=4 286 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,1,1,0,0,0|0,0,0]=2 287 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,1,1,0,0,0|2,0,0]=4 288 B8R0.4 C=CCCCCCC=C CNP0320273.0 [0,1,1,0,0,0|2,0,0]=4 289 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,1,1,0,0,0|1,0,0]=3 290 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,1,0,0,0|2,0,0]=4 291 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,1,1,0,0,0|2,0,0]=4 292 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,1,1,0,0,0|2,0,0]=4 293 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,1,1,0,0,0|1,0,1]=4 294 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,1,0,0,0|2,0,0]=4 295 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,1,1,0,0,0|2,0,0]=4 296 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,1,1,0,0,0|1,0,1]=4 297 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,1,1,0,0,0|2,0,0]=4 298 B8R0.4 CCC=CCCOC=O CNP0053041.0 [0,1,1,0,0,0|1,0,1]=4 299 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,1,1,0,0,0|1,0,1]=4 300 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,1,1,0,0,0|1,0,1]=4 301 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,1,1,0,0,0|1,0,1]=4 302 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,1,1,0,0,0|1,0,0]=3 303 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,1,1,0,0,0|1,0,1]=4 304 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,1,1,0,0,0|1,0,1]=4 305 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,1,1,0,0,0|1,0,1]=4 306 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,1,1,0,0,0|1,0,0]=3 307 B8R0.4 CCCCCCCCN CNP0065900.0 [0,1,1,0,0,0|1,0,1]=4 308 B8R0.4 CCCCCCCNC CNP0216624.0 [0,1,1,0,0,0|1,0,1]=4 309 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,1,1,0,0,0|1,0,0]=3 310 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,1,1,0,0,0|1,0,0]=3 311 B8R0.4 CCNCCCNCC CNP0239670.0 [0,1,1,0,0,0|1,0,1]=4 312 B8R0.4 NCCCNCCCN CNP0609056.0 [0,1,1,0,0,0|1,0,1]=4 313 B8R0.4 NCCCOCCCN CNP0453820.0 [0,1,1,0,0,0|1,0,1]=4 314 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,1,0,0,0|2,0,0]=4 315 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,1,1,0,0,0|2,0,0]=4 316 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,1,1,0,0,0|2,0,0]=4 317 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,1,0,0,0|2,0,0]=4 318 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,1,0,0,0|1,0,1]=4 319 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,1,1,0,0,0|0,0,0]=2 320 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,1,0,0,0|1,0,1]=4 321 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,1,0,0,0|1,0,1]=4 322 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,1,0,0,0|1,0,1]=4 324 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,1,1,0,0,0|1,0,0]=3 325 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,1,0,0,0|1,0,0]=3 326 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,1,0,0,0|1,0,1]=4 327 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,1,0,0,0|1,0,1]=4 328 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,1,0,0,0|2,0,0]=4 329 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,1,0,0,0|1,0,1]=4 330 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,1,0,0,0|1,0,0]=3 331 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,1,0,0,0|1,0,0]=3 332 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,1,0,0,0|1,0,0]=3 333 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,1,0,0,0|1,0,0]=3 334 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,1,0,0,0|2,0,0]=4 335 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,1,1,0,0,0|2,0,0]=4 336 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,1,0,0,0|1,0,0]=3 337 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,1,0,0,0|2,0,0]=4 340 B8R0.7 CSCCCNC(=S)N CNP0388226.0 [0,1,1,0,0,0|1,1,0]=4 341 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,1,0,0,0|2,0,0]=4 342 B8R0.7 N=C(N)NCCCCN CNP0572375.0 [0,1,1,0,0,0|2,0,0]=4 343 B8R0.7 N=C(N)NCCCCO CNP0103952.0 [0,1,1,0,0,0|2,0,0]=4 344 B8R0.7 NC(=S)NCCCCO CNP0407776.0 [0,1,1,0,0,0|1,1,0]=4 345 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,1,0,0,0|0,0,0]=2 346 B8R0.7 NCCCCN=C(N)N CNP0307539.0 [0,1,1,0,0,0|2,0,0]=4 347 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,1,1,0,0,0|1,0,0]=3 348 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,1,0,0,0|1,0,0]=3 349 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,1,1,0,0,0|1,0,1]=4 350 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,1,1,0,0,0|1,0,1]=4 351 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,1,0,0,0|1,0,0]=3 352 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,1,0,0,0|1,0,0]=3 353 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,1,0,0,0|1,0,0]=3 354 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,1,0,0,0|1,0,0]=3 355 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,1,0,0,0|2,0,0]=4 356 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,1,0,0,0|1,0,0]=3 360 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,1,0,0,0|2,0,0]=4 361 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,1,0,0,0|1,0,0]=3 362 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,1,0,0,0|1,0,0]=3 363 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,1,0,0,0|1,0,0]=3 364 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,1,1,0,0,0|1,0,0]=3 365 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,1,1,0,0,0|1,0,0]=3 366 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,1,0,0,0|2,0,0]=4 367 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,1,0,0,0|1,0,1]=4 368 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,1,0,0,0|1,0,0]=3 369 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,1,0,0,0|1,0,0]=3 370 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,1,0,0,0|1,0,1]=4 371 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,1,0,0,0|1,0,0]=3 372 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,1,1,0,0,0|1,0,1]=4 373 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,1,0,0,0|1,0,1]=4 374 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,1,0,0,0|1,0,0]=3 375 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,1,0,0,0|1,0,0]=3 376 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,1,1,0,0,0|1,0,0]=3 377 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,1,1,0,0,0|1,0,0]=3 378 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,1,1,0,0,0|1,0,1]=4 379 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,1,1,0,0,0|1,0,1]=4 380 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,1,1,0,0,0|1,0,1]=4 381 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,1,0,0,0|1,0,1]=4 382 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,1,0,0,0|1,0,0]=3 383 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,1,0,0,0|1,0,0]=3 384 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,1,1,0,0,0|1,0,1]=4 385 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,1,0,0,0|1,0,0]=3 386 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,1,0,0,0|1,0,0]=3 387 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,1,0,0,0|1,0,0]=3 388 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,1,0,0,0|2,0,0]=4 389 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,1,1,0,0,0|2,0,0]=4 390 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,1,0,0,0|1,0,1]=4 391 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,1,0,0,0|1,0,1]=4 392 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,1,0,0,0|1,0,1]=4 393 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,1,0,0,0|1,0,0]=3 394 B8R0.5 CCCC(N)NC(=N)N CNP0547045.0 [0,1,1,0,0,0|2,0,0]=4 395 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,1,1,0,0,0|1,0,0]=3 396 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,1,0,0,0|1,0,0]=3 397 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,1,0,0,0|1,0,0]=3 398 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,1,1,0,0,0|1,0,0]=3 399 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,1,0,0,0|1,0,1]=4 400 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,1,0,0,0|2,0,0]=4 401 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,1,1,0,0,0|2,0,0]=4 402 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [0,1,1,0,0,0|2,0,0]=4 403 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,1,0,0,0|1,0,1]=4 405 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,1,1,0,0,0|1,0,1]=4 407 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,1,1,0,0,0|2,0,0]=4 409 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,1,1,0,0,0|1,0,1]=4 410 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,1,0,0,0|1,0,1]=4 411 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,1,0,0,0|1,0,1]=4 412 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,1,0,0,0|1,0,0]=3 413 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,1,1,0,0,0|1,0,1]=4 414 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,1,1,0,0,0|1,0,1]=4 415 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,1,0,0,0|0,0,0]=2 416 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,1,0,0,0|1,0,0]=3 417 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,1,0,0,0|1,0,0]=3 418 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,1,1,0,0,0|1,1,0]=4 419 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,1,0,0,0|0,0,0]=2 420 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,1,0,0,0|1,0,0]=3 421 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,1,0,0,0|1,0,0]=3 422 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,1,1,0,0,0|1,0,1]=4 423 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,1,1,0,0,0|1,0,1]=4 424 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [0,1,1,0,0,0|1,0,1]=4 425 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,1,0,0,0|2,0,0]=4 426 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,1,0,0,0|1,0,0]=3 427 B8R0.28 C[C@H](O)CCNC(=S)N CNP0153742.1 [0,1,1,0,0,0|1,1,0]=4 428 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,1,1,0,0,0|1,0,1]=4 429 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,1,1,0,0,0|1,0,0]=3 430 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,1,1,0,0,0|1,0,1]=4 431 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [0,1,1,0,0,0|2,0,0]=4 433 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,0,1,0|1,0,1]=4 434 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,0,1,0|1,0,1]=4 435 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,1,0,0,1,0|1,0,1]=4 436 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,1,0,0,1,0|1,0,1]=4 437 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,0,1,0|0,0,2]=4 438 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,0,1,0|1,0,0]=3 439 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,1,0,0,1,0|1,0,1]=4 440 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,0,1,0|0,0,1]=3 441 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,0,1,0|0,0,1]=3 442 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,0,1,0|1,0,0]=3 443 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,1,0,0,1,0|2,0,0]=4 444 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,0,1,0|1,0,0]=3 445 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [0,1,0,0,1,0|2,0,0]=4 446 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,0,1,0|0,0,2]=4 447 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,1,0,0,1,0|0,0,2]=4 448 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,0,1,0|0,0,1]=3 449 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,1,0,0,1,0|1,0,1]=4 450 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,0,1,0|0,0,2]=4 451 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,0,1,0|0,0,0]=2 452 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,0,1,0|1,0,0]=3 453 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,1,0,0,1,0|2,0,0]=4 454 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,0,1,0|1,0,0]=3 455 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,1,0,0,1,0|1,0,1]=4 456 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,1,0,0,1,0|0,0,2]=4 457 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,1,0,0,1,0|1,0,1]=4 458 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,0,1,0|0,0,2]=4 459 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,0,1,0|0,0,2]=4 460 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,0,1,0|0,0,1]=3 461 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,0,1,0|1,0,1]=4 462 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,1,0,0,1,0|1,0,1]=4 463 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,0,1,0|0,0,2]=4 464 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,0,1,0|1,0,1]=4 465 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,0,1,0|0,0,2]=4 466 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,0,1,0|1,0,1]=4 467 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,0,1,0|1,0,1]=4 468 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,0,1,0|0,0,2]=4 469 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,0,1,0|1,0,0]=3 470 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,0,1,0|0,0,0]=2 471 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,0,1,0|1,0,0]=3 472 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,1,0,0,1,0|1,0,1]=4 473 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,1,0,0,1,0|0,0,2]=4 474 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,1,0,0,1,0|1,0,1]=4 475 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,1,0,0,1,0|1,0,1]=4 476 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,1,0,0,1,0|0,0,2]=4 477 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,1,0,0,1,0|1,0,1]=4 478 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,0,1,0|0,0,0]=2 479 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,0,1,0|1,0,0]=3 480 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,1,0,0,1,0|0,0,2]=4 481 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,1,0,0,1,0|0,0,2]=4 482 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,0,1,0|1,1,0]=4 483 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,0,1,0|0,0,2]=4 484 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,0,1,0|1,0,1]=4 485 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,0,1,0|1,0,1]=4 486 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,0,1,0|1,0,0]=3 487 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,0,1,0|1,0,1]=4 488 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,0,1,0|1,0,1]=4 489 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,0,1,0|0,0,0]=2 490 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,1,0,0,1,0|0,0,2]=4 491 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,0,1,0|1,0,0]=3 492 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,1,0,0,1,0|1,0,1]=4 493 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,1,0,0,1,0|1,0,1]=4 494 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,1,0,0,1,0|0,0,2]=4 495 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,1,0,0,1,0|0,0,2]=4 496 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,0,1,0|0,0,0]=2 497 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,1,0,0,1,0|0,0,2]=4 498 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,1,0,0,1,0|0,0,2]=4 499 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,0,1,0|0,0,2]=4 500 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,0,1,0|0,0,2]=4 501 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,0,1,0|0,0,1]=3 502 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,0,1,0|0,0,0]=2 503 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,0,1,0|1,0,1]=4 504 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,1,0,0,1,0|0,0,2]=4 505 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,1,0,0,1,0|0,0,2]=4 506 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,1,0,0,1,0|0,0,2]=4 507 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,1,0,0,1,0|0,0,2]=4 508 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,1,0,0,1,0|1,0,1]=4 509 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,1,0,0,1,0|0,0,2]=4 510 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [0,1,0,0,1,0|1,0,1]=4 511 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [0,1,0,0,1,0|2,0,0]=4 512 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,0,0,1|1,0,0]=3 514 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,1,0,0,0,1|0,0,1]=3 515 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,0,0,1|0,0,1]=3 516 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,2,0,0,0,0|1,0,0]=3 519 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,2,0,0,0,0|1,0,1]=4 521 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,2,0,0,0,0|1,0,1]=4 523 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,2,0,0,0,0|1,0,1]=4 524 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,2,0,0,0,0|0,0,1]=3 525 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,2,0,0,0,0|0,0,1]=3 526 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,0,1,1,0,0|2,0,0]=4 527 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [0,0,1,1,0,0|2,0,0]=4 528 B8R1.11 CC1SCCN1N=O CNP0484852.0 [0,0,1,1,0,0|2,0,0]=4 529 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,0,1,1,0,0|0,0,2]=4 530 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,0,1,1,0,0|1,0,0]=3 531 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,0,1,1,0,0|2,0,0]=4 532 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,0,1,1,0,0|1,0,1]=4 533 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,0,1,1,0,0|1,0,1]=4 534 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,0,1,1,0,0|0,0,0]=2 535 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,0,1,1,0,0|0,0,2]=4 536 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,1,1,0,0|2,0,0]=4 537 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,0,1,1,0,0|1,0,1]=4 538 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,1,1,0,0|1,0,0]=3 539 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,0,1,1,0,0|1,1,0]=4 540 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,1,1,0,0|1,0,0]=3 541 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,1,1,0,0|1,0,0]=3 542 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,0,1,1,0,0|1,1,0]=4 543 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,0,1,1,0,0|1,0,0]=3 544 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,1,1,0,0|2,0,0]=4 545 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,0,1,1,0,0|2,0,0]=4 546 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,1,1,0,0|2,0,0]=4 547 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,0,1,1,0,0|1,0,0]=3 548 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,0,1,1,0,0|2,0,0]=4 549 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,0,1,1,0,0|2,0,0]=4 550 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,0,1,1,0,0|2,0,0]=4 551 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,1,1,0,0|1,0,1]=4 552 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,0,1,1,0,0|2,0,0]=4 553 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,1,1,0,0|2,0,0]=4 554 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,1,1,0,0|2,0,0]=4 555 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,1,1,0,0|2,0,0]=4 556 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,1,1,0,0|2,0,0]=4 557 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,1,1,0,0|1,0,0]=3 558 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,1,1,0,0|2,0,0]=4 559 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,1,1,0,0|2,0,0]=4 560 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,1,1,0,0|2,0,0]=4 561 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,1,1,0,0|2,0,0]=4 562 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,1,1,0,0|0,0,2]=4 563 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,1,1,0,0|1,0,0]=3 564 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,1,1,0,0|1,0,0]=3 565 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,1,1,0,0|1,0,0]=3 566 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,1,1,0,0|2,0,0]=4 567 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,1,1,0,0|2,0,0]=4 568 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,1,1,0,0|2,0,0]=4 569 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,1,1,0,0|2,0,0]=4 570 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,1,1,0,0|2,0,0]=4 571 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,1,1,0,0|2,0,0]=4 572 B8R1.7 S=C(S)N1CCCC1 CNP0337104.0 [0,0,1,1,0,0|1,1,0]=4 573 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,0,1,1,0,0|2,0,0]=4 574 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,1,1,0,0|2,0,0]=4 575 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,0,1,1,0,0|1,0,1]=4 576 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,1,1,0,0|2,0,0]=4 577 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,0,1,1,0,0|2,0,0]=4 578 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,1,1,0,0|1,0,0]=3 579 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,1,1,0,0|1,0,0]=3 580 B8R2.22 C1=C[C@@H]2[C@H]1CCC2 CNP0231312.1 [1,0,0,1,0,0|1,0,0]=3 581 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [1,0,0,1,0,0|1,0,1]=4 582 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [1,0,0,1,0,0|1,0,1]=4 583 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,1,1,0|1,0,0]=3 584 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,1,0,1|1,0,0]=3 585 B10R2.32 C=C1CCN2[C@H]1CCC2 CNP0287271.1 [0,0,0,1,0,1|2,0,0]=4 586 B10R2.32 O=C1C=C[C@@H]2N1CCC2 CNP0161013.1 [0,0,0,1,0,1|0,0,1]=3 587 B10R2.32 O=C1C=C[C@H]2N1CCC2 CNP0161013.2 [0,0,0,1,0,1|0,0,1]=3 588 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,1,0,1|0,0,0]=2 589 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,1,0,1|0,0,0]=2 590 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,1,0,1|0,0,0]=2 591 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,1,0,1|0,0,0]=2 592 B10R2.174 C=C1CCC2C1C(=O)N2 CNP0193176.0 [0,1,0,1,0,0|0,0,1]=3 593 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,1,0,1,0,0|2,0,0]=4 594 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,0,1,0|0,0,1]=3 595 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,0,1,0|0,0,2]=4 596 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,0,1,0|0,0,1]=3 597 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,0,1,0|1,0,1]=4 598 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,0,1,0|0,0,1]=3 599 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,0,1,0|0,0,1]=3 600 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,0,1,0|0,0,0]=2 601 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,0,1,0|1,0,0]=3 602 B6R1.1 C1CNCCN1 CNP0389558.0 [1,0,0,0,1,0|1,0,0]=3 603 B6R1.1 C1CNCCN1 CNP0554301.0 [1,0,0,0,1,0|1,0,0]=3 604 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,0,1,0|1,0,0]=3 605 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,0,1,0|2,0,0]=4 606 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,0,1,0|2,0,0]=4 607 B6R1.1 C1CSCCS1 CNP0316640.0 [1,0,0,0,1,0|2,0,0]=4 608 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,0,1,0|2,0,0]=4 609 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,0,1,0|0,0,2]=4 610 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,0,2,0|1,0,0]=3 611 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,0,2,0|1,0,1]=4 612 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,0,2,0|1,0,1]=4 613 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,0,2,0|2,0,0]=4 614 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,0,2,0|1,0,1]=4 615 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,0,2,0|2,0,0]=4 616 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,0,2,0|0,0,2]=4 617 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,0,2,0|0,0,0]=2 618 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,0,2,0|0,0,0]=2 619 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,0,2,0|1,0,0]=3 620 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,0,2,0|1,0,0]=3 621 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,0,2,0|1,0,0]=3 622 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,0,2,0|1,0,0]=3 623 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,0,2,0|1,0,0]=3 624 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,0,2,0|1,0,0]=3 625 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,0,2,0|1,0,1]=4 626 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,0,2,0|1,0,0]=3 627 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,0,2,0|0,0,2]=4 628 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,0,2,0|0,0,2]=4 629 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,0,0,0,2,0|1,1,0]=4 630 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,0,2,0|1,1,0]=4 631 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,0,2,0|0,1,1]=4 632 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,0,0,2|1,0,0]=3 633 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,0,0,2|1,0,0]=3