0 B9R0.2 B(\C=C\CCCCC)(O)O H52590 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 C(CCCN)CCC(=O)O H27519 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 CC(=O)OCCCCCBr A15549 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 CC(=O)OCCCCCCl A11111 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 CCCCCC#CC(=O)O B21957 [0,0,0,0,0,0|1,0,3]=4 5 B9R0.2 CCCCCCCC(=O)C A11781 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.2 CCCCCCCC(=O)Cl L03526 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 CCCCCCCC(=O)O A11149 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.2 CCCCCCCC(=O)[O-] 39371 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.2 CCCCCCCC(=O)[O-] 39479 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.2 CCCCCCCC(=O)[O-] 39825 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.2 CCCCCCCC(=O)[O-] A13451 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.2 CCCCCCCC(C)Br L07387 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.2 CCCCCCCC(C)C B20849 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.2 CCCCCCCC(C)O L06310 [0,0,0,0,0,0|0,0,0]=0 15 B9R0.2 CCCCCCC[C@@H](C)N L19310 [0,0,0,0,0,0|1,0,0]=1 16 B9R0.2 CCCCCCC[C@H](C)N L19311 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.2 CCCCCCNC(=S)N B21686 [0,0,0,0,0,0|2,1,1]=4 18 B9R0.2 CCCCCCOC(=O)C L06342 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 CCCCC\C=C\C(=O)C A19084 [0,0,0,0,0,0|0,0,4]=4 20 B9R0.2 CCCCC\C=C\C(=O)O L02058 [0,0,0,0,0,0|1,0,3]=4 21 B8R0.4 C(CCCBr)CCC#N L05068 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 C(CCCCl)CCC#N L03997 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.4 C(CCCN)CCCN L02853 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 C(CCCO)CCCBr H54762 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.4 C(CCCO)CCCO L06384 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.4 C(CCC[Zn+])CCC#N H58022 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.4 C=CCCCCCCBr H64830 [1,0,0,0,0,0|1,0,2]=4 28 B8R0.4 CCCCC#CCCC B21349 [1,0,0,0,0,0|0,0,2]=3 29 B8R0.4 CCCCC#CCCO L05414 [1,0,0,0,0,0|0,0,2]=3 30 B8R0.4 CCCCCC#CCCl H53452 [1,0,0,0,0,0|1,0,2]=4 31 B8R0.4 CCCCCC#CCO L05596 [1,0,0,0,0,0|0,0,2]=3 32 B8R0.4 CCCCCCC#CC B23620 [1,0,0,0,0,0|0,0,2]=3 33 B8R0.4 CCCCCCCC#C B24263 [1,0,0,0,0,0|0,0,2]=3 34 B8R0.4 CCCCCCCC#N B23338 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.4 CCCCCCCC=O A10901 [1,0,0,0,0,0|0,0,2]=3 36 B8R0.4 CCCCCCCCBr A14722 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.4 CCCCCCCCC A16177 [1,0,0,0,0,0|0,0,0]=1 38 B8R0.4 CCCCCCCCCl L04358 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.4 CCCCCCCCI B22214 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.4 CCCCCCCCN B24193 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.4 CCCCCCCCO A15977 [1,0,0,0,0,0|0,0,0]=1 42 B8R0.4 CCCCCCCCO H36188 [1,0,0,0,0,0|0,0,0]=1 43 B8R0.4 CCCCCCCCS L07195 [1,0,0,0,0,0|0,1,0]=2 44 B8R0.4 CCCCCCCC[Mg+] H51174 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.4 CCCCCCCC[O-] H37523 [1,0,0,0,0,0|0,0,1]=2 46 B8R0.4 CCCCCCCC[Zn+] H58444 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.4 CCCCCCCNC H65794 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.4 CCCCCCN=C=S A12223 [1,0,0,0,0,0|1,1,1]=4 49 B8R0.4 CCCCCCOC=O L06226 [1,0,0,0,0,0|1,0,2]=4 50 B8R0.4 CCCCCSCCO B22772 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.4 CCCCC\C=C\CO A15960 [1,0,0,0,0,0|0,0,2]=3 52 B8R0.4 CCCCNCCCC A11671 [1,0,0,0,0,0|1,0,0]=2 53 B8R0.4 CCCCOCCC#N L11342 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.4 CCCCOCCCC A16305 [1,0,0,0,0,0|1,0,0]=2 55 B8R0.4 CCCCSCCCC L07599 [1,0,0,0,0,0|1,0,0]=2 56 B8R0.4 CCCC[N-]CCCC L08269 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.4 CCCC[NH2+]CCCC B20251 [1,0,0,0,0,0|1,0,0]=2 58 B8R0.4 CCCC[Sn+2]CCCC 14116 [1,0,0,0,0,0|1,0,0]=2 59 B8R0.4 CCCC[Sn+2]CCCC 14117 [1,0,0,0,0,0|1,0,0]=2 60 B8R0.4 CCCC[Sn+2]CCCC 18595 [1,0,0,0,0,0|1,0,0]=2 61 B8R0.4 CCCC[Sn+2]CCCC 39618 [1,0,0,0,0,0|1,0,0]=2 62 B8R0.4 CCCC[Sn+2]CCCC B23921 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.4 CCCC[Sn+2]CCCC L14491 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.4 CCCC\C=C/CCO A19014 [1,0,0,0,0,0|0,0,2]=3 65 B8R0.4 CCOCCOCCBr L08522 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.4 CCOCCOCCO A14670 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.4 CC\C=C/CCCCO A19454 [1,0,0,0,0,0|0,0,2]=3 68 B8R0.4 COCCOCCOC A13397 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.7 B(CCCCCC)(O)O B22446 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.7 C(CCC(=O)O)CCBr A15761 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.7 C(CCC(=O)O)CCN A14719 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.7 C(CCC(=O)O)CCO B24857 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.7 CC(C)CCCCCN B24746 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.7 CCCCCCC(=O)C A11643 [1,0,0,0,0,0|0,0,2]=3 75 B8R0.7 CCCCCCC(=O)Cl L03315 [1,0,0,0,0,0|1,0,2]=4 76 B8R0.7 CCCCCCC(=O)O A17704 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.7 CCCCCCC(C)O A16985 [1,0,0,0,0,0|0,0,0]=1 78 B8R0.7 CCCCCCN(C)C A17364 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.7 CCCCCC[C@@H](C)N L19308 [1,0,0,0,0,0|1,0,0]=2 80 B8R0.7 CCCCCC[C@@H](C)O L11502 [1,0,0,0,0,0|0,0,0]=1 81 B8R0.7 CCCCCC[C@H](C)N L19309 [1,0,0,0,0,0|1,0,0]=2 82 B8R0.7 CCCCCC[C@H](C)O L12425 [1,0,0,0,0,0|0,0,0]=1 83 B8R0.7 CCCCCOC(=O)C L10852 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.7 CCCCOCC(=O)O H50210 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.7 CCCC\C=C\C(C)O B21741 [1,0,0,0,0,0|0,0,2]=3 86 B10R0.3 CCCC(=O)OCCC(C)C B21103 [0,1,0,0,0,0|2,0,1]=4 87 B10R0.4 B(CCCCCCCC)(O)O L19964 [0,1,0,0,0,0|2,0,0]=3 88 B10R0.4 B(\C=C\CCCCCC)(O)O H52634 [0,1,0,0,0,0|2,0,1]=4 89 B10R0.4 C(CCCC(=O)O)CCCBr B25575 [0,1,0,0,0,0|1,0,1]=3 90 B10R0.4 C(CCCC(=O)O)CCCN A17353 [0,1,0,0,0,0|1,0,1]=3 91 B10R0.4 CCCCCCCCC(=O)C A14145 [0,1,0,0,0,0|0,0,2]=3 92 B10R0.4 CCCCCCCCC(=O)Cl A17671 [0,1,0,0,0,0|1,0,2]=4 93 B10R0.4 CCCCCCCCC(=O)O B21568 [0,1,0,0,0,0|1,0,1]=3 94 B10R0.4 CCCCCCCCC(C)O L05688 [0,1,0,0,0,0|0,0,0]=1 95 B10R0.4 CCCCCCCCN(C)C A12546 [0,1,0,0,0,0|2,0,0]=3 96 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [0,1,0,0,0,0|0,0,3]=4 97 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [0,1,0,0,0,0|1,0,2]=4 98 B10R0.4 CCCCOCCOC(=O)C L09515 [0,1,0,0,0,0|1,0,2]=4 99 B10R0.6 CCCCCC(=O)CC(=O)C L01151 [0,1,0,0,0,0|0,0,3]=4 100 B10R0.22 CCCCCCCC(C)(C)Cl 43784 [0,1,0,0,0,0|1,0,0]=2 101 B10R0.22 CCCCCCCS(=O)(=O)[O-] 15214 [0,1,0,0,0,0|2,0,1]=4 102 B10R0.22 CCCCCCCS(=O)(=O)[O-] A10917 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.74 CCCCCCCC(=O)CC B20909 [0,1,0,0,0,0|0,0,2]=3 104 B10R0.74 CCCCCCCC(=O)OC A10991 [0,1,0,0,0,0|0,0,2]=3 105 B10R0.74 CCCCCCCC(CC)O B24141 [0,1,0,0,0,0|0,0,0]=1 106 B10R0.74 COC(=O)CCCCCCBr H27234 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.74 COC(=O)CCCCCCCl H27098 [0,1,0,0,0,0|1,0,2]=4 108 B10R0.75 CCCCCCC(C(=O)O)O L02314 [0,1,0,0,0,0|1,0,1]=3 109 B10R0.78 CCCCC(C)CCC(=O)O B22616 [0,1,0,0,0,0|1,0,1]=3 110 B10R0.97 CC(C)CCNCCC(C)C L02297 [0,1,0,0,0,0|2,0,0]=3 111 B10R0.97 CC(C)CCOCCC(C)C A11231 [0,1,0,0,0,0|2,0,0]=3 112 B10R0.97 CC(C)CCSCCC(C)C B23030 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.10 CCCC1CCCC(=O)O1 L14303 [0,0,0,1,0,0|1,0,1]=3 114 B10R1.10 CCCC1CCOC(S1)C B22630 [0,0,0,1,0,0|1,1,0]=3 115 B10R1.10 CNCC1CCCN(C1)C H33455 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.16 CCCCC1CCC(=O)O1 A18142 [0,0,0,1,0,0|1,0,1]=3 117 B10R1.18 C1CCC(CC1)CC(=O)O H31986 [0,0,0,1,0,0|1,0,1]=3 118 B10R1.18 C1CNCCC1CC(=O)O H64031 [0,0,0,1,0,0|2,0,1]=4 119 B10R1.18 CC(=O)CC1CCCCC1 A12748 [0,0,0,1,0,0|0,0,2]=3 120 B10R1.18 CC(C)CC1SCCCS1 B21471 [0,0,0,1,0,0|3,0,0]=4 121 B10R1.18 CC(CN1CCOCC1)O L11859 [0,0,0,1,0,0|2,0,0]=3 122 B10R1.61 C1CC[C@@H]([C@H](C1)C(=O)O)N H52779 [0,0,0,1,0,0|2,0,1]=4 123 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N H52418 [0,0,0,1,0,0|2,0,1]=4 124 B10R1.66 C1CCC(C1)CCC(=O)Cl A17715 [0,0,0,1,0,0|1,0,2]=4 125 B10R1.66 C1CCC(C1)CCC(=O)O A18192 [0,0,0,1,0,0|1,0,1]=3 126 B10R1.78 C1CCCC(=O)NCCC1 A18621 [0,0,0,1,0,0|1,0,2]=4 127 B7R0.1 C#CCCCCCO H61509 [2,0,0,0,0,0|0,0,2]=4 128 B7R0.1 C(CCCBr)CCBr A13417 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.1 C(CCCBr)CCCl B21619 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.1 C(CCCBr)CCO B21803 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.1 C(CCCCl)CCCl B21763 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.1 C(CCCCl)CCO A14582 [2,0,0,0,0,0|1,0,0]=3 133 B7R0.1 C(CCCI)CCCl L05198 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.1 C(CCCI)CCI A15368 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.1 C(CCCN)CCN A14212 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 C(CCCO)CCN L14157 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.1 C(CCCO)CCO A12439 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.1 C(CCCS)CCS L06686 [2,0,0,0,0,0|1,1,0]=4 139 B7R0.1 C(CCC[Zn+])CCCl H58330 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.1 CCCC#CCCC 43157 [2,0,0,0,0,0|0,0,2]=4 141 B7R0.1 CCCC#CCCO B20884 [2,0,0,0,0,0|0,0,2]=4 142 B7R0.1 CCCCC#CCO A14959 [2,0,0,0,0,0|0,0,2]=4 143 B7R0.1 CCCCCC#CC A10197 [2,0,0,0,0,0|0,0,2]=4 144 B7R0.1 CCCCCCC#C A12440 [2,0,0,0,0,0|0,0,2]=4 145 B7R0.1 CCCCCCC#N A12326 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.1 CCCCCCC=C A11146 [2,0,0,0,0,0|0,0,2]=4 147 B7R0.1 CCCCCCC=O B23830 [2,0,0,0,0,0|0,0,2]=4 148 B7R0.1 CCCCCCCBr A14031 [2,0,0,0,0,0|1,0,0]=3 149 B7R0.1 CCCCCCCC A13181 [2,0,0,0,0,0|0,0,0]=2 150 B7R0.1 CCCCCCCI B24206 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.1 CCCCCCCN A17922 [2,0,0,0,0,0|1,0,0]=3 152 B7R0.1 CCCCCCCO A12793 [2,0,0,0,0,0|0,0,0]=2 153 B7R0.1 CCCCCCCS L07079 [2,0,0,0,0,0|0,1,0]=3 154 B7R0.1 CCCCCCC[Mg+] H51173 [2,0,0,0,0,0|1,0,0]=3 155 B7R0.1 CCCCCCC[Zn+] H58840 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.1 CCCCCCOC A17207 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.1 CCCCC\C=C\C L03862 [2,0,0,0,0,0|0,0,2]=4 158 B7R0.1 CCCCC\C=C\C L12606 [2,0,0,0,0,0|0,0,2]=4 159 B7R0.1 CCCCNCCN L13437 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.1 CCCCOCCO A17976 [2,0,0,0,0,0|1,0,0]=3 161 B7R0.1 CCCC\C=C\CC 43154 [2,0,0,0,0,0|0,0,2]=4 162 B7R0.1 CCCC\C=C\CO A11750 [2,0,0,0,0,0|0,0,2]=4 163 B7R0.1 CCCSSCCC L09881 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.1 CCC\C=C/CCC 43156 [2,0,0,0,0,0|0,0,2]=4 165 B7R0.1 CCC\C=C/CCO A19172 [2,0,0,0,0,0|0,0,2]=4 166 B7R0.1 CCC\C=C\CCC 43155 [2,0,0,0,0,0|0,0,2]=4 167 B7R0.1 CCNCCNCC A17113 [2,0,0,0,0,0|2,0,0]=4 168 B7R0.1 CCOCCOCC L14283 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.1 CC\C=C/CCCO A16596 [2,0,0,0,0,0|0,0,2]=4 170 B7R0.1 COCCOCCO A16063 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.4 CC(C)CCCCBr L09486 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.4 CC(C)CCCCCl B20133 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.4 CCC#CCC(C)O L11292 [2,0,0,0,0,0|0,0,2]=4 174 B7R0.4 CCCCCC(=O)C A10200 [2,0,0,0,0,0|0,0,2]=4 175 B7R0.4 CCCCCC(=O)O A13789 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.4 CCCCCC(C)C H26220 [2,0,0,0,0,0|1,0,0]=3 177 B7R0.4 CCCCCC(C)N B22863 [2,0,0,0,0,0|1,0,0]=3 178 B7R0.4 CCCCCC(C)N L08596 [2,0,0,0,0,0|1,0,0]=3 179 B7R0.4 CCCCCC(C)O A18391 [2,0,0,0,0,0|0,0,0]=2 180 B7R0.4 CCCCCC(C)[Zn+] H58890 [2,0,0,0,0,0|1,0,0]=3 181 B7R0.4 CCCCC[C@@H](C)N L19306 [2,0,0,0,0,0|1,0,0]=3 182 B7R0.4 CCCCC[C@H](C)N L19307 [2,0,0,0,0,0|1,0,0]=3 183 B7R0.4 CCCCC[C@H](C)O 33795 [2,0,0,0,0,0|0,0,0]=2 184 B9R0.5 CCCCCC(=O)CCC A15050 [1,1,0,0,0,0|0,0,1]=3 185 B9R0.5 CCCCCC(=O)OCC A13985 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.5 CCCCCC(CC=C)O B20284 [1,1,0,0,0,0|0,0,2]=4 187 B9R0.5 CCCCCC(CCC)O A19496 [1,1,0,0,0,0|0,0,0]=2 188 B9R0.5 CCCCOC(=O)CCC B24390 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.18 CCCCC(=O)CCCC A13722 [1,1,0,0,0,0|0,0,1]=3 190 B9R0.18 CCCCC(CCCC)O L05812 [1,1,0,0,0,0|0,0,0]=2 191 B9R0.18 CCCCS(=O)CCCC B23672 [1,1,0,0,0,0|1,0,0]=3 192 B9R0.18 CCOCC(COCC)O L16275 [1,1,0,0,0,0|2,0,0]=4 193 B9R0.45 C(CCCCBr)CCCBr A15651 [1,1,0,0,0,0|1,0,0]=3 194 B9R0.45 C(CCCCBr)CCCO H27628 [1,1,0,0,0,0|0,0,0]=2 195 B9R0.45 C(CCCCCl)CCCO H28417 [1,1,0,0,0,0|0,0,0]=2 196 B9R0.45 C(CCCCI)CCCI A10867 [1,1,0,0,0,0|1,0,0]=3 197 B9R0.45 C(CCCCN)CCCN B23885 [1,1,0,0,0,0|1,0,0]=3 198 B9R0.45 C(CCCCO)CCCO A15402 [1,1,0,0,0,0|0,0,0]=2 199 B9R0.45 C(CCCCS)CCCS B24693 [1,1,0,0,0,0|0,1,0]=3 200 B9R0.45 C(CCNCCCN)CN A19096 [1,1,0,0,0,0|2,0,0]=4 201 B9R0.45 C(COCCOCCO)O A10772 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.45 C(CSCCSCCO)O A17654 [1,1,0,0,0,0|2,0,0]=4 203 B9R0.45 C=CCCCCCCCBr H64792 [1,1,0,0,0,0|0,0,2]=4 204 B9R0.45 CCCCC#CCCCC A13050 [1,1,0,0,0,0|0,0,1]=3 205 B9R0.45 CCCCC#CCCCCl L10491 [1,1,0,0,0,0|0,0,2]=4 206 B9R0.45 CCCCCC#CCCC B20597 [1,1,0,0,0,0|0,0,1]=3 207 B9R0.45 CCCCCC#CCCO A12922 [1,1,0,0,0,0|0,0,1]=3 208 B9R0.45 CCCCCCC#CCC B20268 [1,1,0,0,0,0|0,0,1]=3 209 B9R0.45 CCCCCCC#CCO L06380 [1,1,0,0,0,0|0,0,1]=3 210 B9R0.45 CCCCCCCCC#C A11171 [1,1,0,0,0,0|0,0,1]=3 211 B9R0.45 CCCCCCCCC=C 31213 [1,1,0,0,0,0|0,0,1]=3 212 B9R0.45 CCCCCCCCC=C L06800 [1,1,0,0,0,0|0,0,1]=3 213 B9R0.45 CCCCCCCCC=O A15908 [1,1,0,0,0,0|0,0,1]=3 214 B9R0.45 CCCCCCCCCBr A10577 [1,1,0,0,0,0|0,0,0]=2 215 B9R0.45 CCCCCCCCCC 31209 [1,1,0,0,0,0|0,0,0]=2 216 B9R0.45 CCCCCCCCCC A14732 [1,1,0,0,0,0|0,0,0]=2 217 B9R0.45 CCCCCCCCCCl L09909 [1,1,0,0,0,0|0,0,0]=2 218 B9R0.45 CCCCCCCCCI A10667 [1,1,0,0,0,0|0,0,0]=2 219 B9R0.45 CCCCCCCCCN A18209 [1,1,0,0,0,0|0,0,0]=2 220 B9R0.45 CCCCCCCCCO A12510 [1,1,0,0,0,0|0,0,0]=2 221 B9R0.45 CCCCCCCCCS L10988 [1,1,0,0,0,0|0,0,0]=2 222 B9R0.45 CCCCCCCCC[Zn+] H58604 [1,1,0,0,0,0|0,0,0]=2 223 B9R0.45 CCCCCCCCNC L18639 [1,1,0,0,0,0|0,0,0]=2 224 B9R0.45 CCCCCCCN=C=O B21793 [1,1,0,0,0,0|0,0,2]=4 225 B9R0.45 CCCCCCCN=C=S L10866 [1,1,0,0,0,0|0,1,1]=4 226 B9R0.45 CCCCCCCNCC H65107 [1,1,0,0,0,0|0,0,0]=2 227 B9R0.45 CCCCCCOCCO B22385 [1,1,0,0,0,0|0,0,0]=2 228 B9R0.45 CCCCCC\C=C/CO A18842 [1,1,0,0,0,0|0,0,1]=3 229 B9R0.45 CCCCC\C=C/CCO A17846 [1,1,0,0,0,0|0,0,1]=3 230 B9R0.45 CCCC\C=C\CCCC L10689 [1,1,0,0,0,0|0,0,1]=3 231 B9R0.45 CCCNCCNCCC L04671 [1,1,0,0,0,0|1,0,0]=3 232 B9R0.45 CCOCCCCOCC B25607 [1,1,0,0,0,0|1,0,0]=3 233 B9R0.45 CC\C=C/CCCCCO L08387 [1,1,0,0,0,0|0,0,1]=3 234 B9R0.45 COCCCCCCOC B25130 [1,1,0,0,0,0|1,0,0]=3 235 B9R0.46 CCCCCCC(=O)CC A19878 [1,1,0,0,0,0|0,0,1]=3 236 B9R0.46 CCCCCCC(C=C)O L06889 [1,1,0,0,0,0|0,0,2]=4 237 B9R0.46 CCCCCCC(CC)O A19120 [1,1,0,0,0,0|0,0,0]=2 238 B9R0.46 CCCCCCC(CO)O L08031 [1,1,0,0,0,0|0,0,0]=2 239 B9R0.4 CCCCC(=O)CC(C)C A19952 [1,1,0,0,0,0|1,0,1]=4 240 B9R0.38 CCCCCCP(=O)(O)O 44121 [1,1,0,0,0,0|2,0,0]=4 241 B9R0.38 CCCCCC[N+](C)(C)C L08594 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.38 CCCCCC[Si](C)(C)Cl A19140 [1,1,0,0,0,0|1,1,0]=4 243 B9R0.47 CCCCCC(C)C(=O)O B22050 [1,1,0,0,0,0|1,0,1]=4 244 B9R0.47 CCCCOC(=O)[C@H](C)O A13821 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.48 CCCC(C)CCC(=O)C B25160 [1,1,0,0,0,0|0,0,2]=4 246 B9R0.55 CC(C)CCCCC(=O)O H30392 [1,1,0,0,0,0|1,0,1]=4 247 B9R0.55 CC(C)CCCCC(C)C B21646 [1,1,0,0,0,0|1,0,0]=3 248 B11R0.30 CC(C)CCC#CCCC(C)C H53414 [0,2,0,0,0,0|1,0,1]=4 249 B11R0.40 CCCCCCCCC(=O)CC B21007 [0,2,0,0,0,0|0,0,2]=4 250 B11R0.42 CCCCCCCC(C)C(=O)O H30430 [0,2,0,0,0,0|0,0,0]=2 251 B11R0.46 CCCCCC(C)CCC(=O)O A15528 [0,2,0,0,0,0|1,0,1]=4 252 B11R0.148 CCCCCCCCCC(=O)C A17659 [0,2,0,0,0,0|0,0,2]=4 253 B11R0.148 CCCCCCCCCC(=O)O A14788 [0,2,0,0,0,0|1,0,1]=4 254 B11R0.148 CCCCCCCCCC(C)C A14235 [0,2,0,0,0,0|1,0,0]=3 255 B11R0.148 CCCCCCCCCC(C)O A14441 [0,2,0,0,0,0|0,0,0]=2 256 B11R0.148 CCCCCCCCOC(=O)C L06405 [0,2,0,0,0,0|0,0,2]=4 257 B11R0.159 CCCCCCCCP(=O)(O)O 20651 [0,2,0,0,0,0|2,0,0]=4 258 B11R0.159 CCCCCCCCP(=O)(O)O L18586 [0,2,0,0,0,0|2,0,0]=4 259 B11R0.159 CCCCCCCC[N+](C)(C)C L08610 [0,2,0,0,0,0|2,0,0]=4 260 B11R0.159 CCCCCCCC[Si](C)(C)Cl L16564 [0,2,0,0,0,0|1,1,0]=4 261 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl L16565 [0,2,0,0,0,0|1,1,0]=4 262 B11R0.4 CCCCCCCC(=O)CCC B20135 [0,2,0,0,0,0|0,0,2]=4 263 B11R0.4 CCCCCCCC(=O)OCC B23450 [0,2,0,0,0,0|0,0,2]=4 264 B11R0.4 CCCCCCC[C@@H](C)N=C=O L20236 [0,2,0,0,0,0|0,0,1]=3 265 B11R0.4 CCCCCCC[C@@H](C)N=C=S L19982 [0,2,0,0,0,0|0,1,0]=3 266 B11R0.4 CCCCCCC[C@H](C)N=C=O L20243 [0,2,0,0,0,0|0,0,1]=3 267 B11R0.4 CCCCCCC[C@H](C)N=C=S L19983 [0,2,0,0,0,0|0,1,0]=3 268 B11R0.142 CCCCCCC(C(C)CC)O B20050 [0,2,0,0,0,0|1,0,0]=3 269 B11R0.164 CCCCC(CC)CCC(=O)O B22220 [0,2,0,0,0,0|1,0,1]=4 270 B9R1.8 C#CCC1CCCCC1 B20505 [1,0,0,1,0,0|0,0,2]=4 271 B9R1.8 C1CCC(CC1)CCBr L09466 [1,0,0,1,0,0|1,0,0]=3 272 B9R1.8 C1CCC(CC1)CCN H27987 [1,0,0,1,0,0|1,0,0]=3 273 B9R1.8 C1CCC(CC1)CCN H35368 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.8 C1CCC(CC1)CCO B20782 [1,0,0,1,0,0|0,0,0]=2 275 B9R1.8 C1CCC(CC1)CC[Zn+] H58193 [1,0,0,1,0,0|1,0,0]=3 276 B9R1.8 C1CCN(CC1)CCCl B22985 [1,0,0,1,0,0|2,0,0]=4 277 B9R1.8 C1CCN(CC1)CCN A18373 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.8 C1CCN(CC1)CCO B23816 [1,0,0,1,0,0|1,0,0]=3 279 B9R1.8 C1CN(CCN1)CCO A17215 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.8 C1COC(OC1)CCBr L00958 [1,0,0,1,0,0|2,0,0]=4 281 B9R1.8 C1COC(OC1)CC[Zn+] H58912 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.8 C1COCCN1CCO B22759 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.8 C=CCC1CCCCC1 L00946 [1,0,0,1,0,0|0,0,2]=4 284 B9R1.8 CCCC1CCNCC1 H25848 [1,0,0,1,0,0|1,0,0]=3 285 B9R1.8 CCCN1CCNCC1 A10258 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.8 CCNC1CCCCC1 L14221 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.8 CCOC1CCCNC1 H50957 [1,0,0,1,0,0|2,0,0]=4 288 B9R1.8 CCOC1CCCNC1 H51152 [1,0,0,1,0,0|2,0,0]=4 289 B9R1.8 CCOC1CCNCC1 H51028 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.8 COCC1CCNCC1 H51020 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.12 C1CCN(C1)CCCN L04739 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.14 CCN1CCC[C@@H]1CN H57638 [1,0,0,1,0,0|2,0,0]=4 293 B9R1.14 CCN1CCC[C@H]1CN H57137 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.15 CCC1CCCCC1=O B20748 [1,0,0,1,0,0|0,0,2]=4 295 B9R1.15 CN1CCCCC1CO B22187 [1,0,0,1,0,0|1,0,0]=3 296 B9R1.15 CO[C@H]1CCCC[C@@H]1O L19065 [1,0,0,1,0,0|1,0,0]=3 297 B9R1.50 C1CCCC(=O)CCC1 B20911 [1,0,0,1,0,0|0,0,2]=4 298 B9R1.50 C1CCCC(CCC1)Br B24839 [1,0,0,1,0,0|1,0,0]=3 299 B9R1.50 C1CCCC(CCC1)N L00981 [1,0,0,1,0,0|1,0,0]=3 300 B9R1.50 C1CCCC(CCC1)O A17825 [1,0,0,1,0,0|0,0,0]=2 301 B9R1.83 C=CCCCCC1CO1 L07033 [1,0,0,1,0,0|0,0,2]=4 302 B9R1.83 CCCCCCC1CO1 B21463 [1,0,0,1,0,0|0,0,0]=2 303 B9R1.83 CCCCOCC1CO1 L16201 [1,0,0,1,0,0|1,0,0]=3 304 B9R1.89 C1CCCC(CC1)C#N H25804 [1,0,0,1,0,0|1,0,1]=4 305 B9R1.89 C1CCCC(CC1)CN L14659 [1,0,0,1,0,0|1,0,0]=3 306 B9R1.89 CNC1CCCCCC1 H66044 [1,0,0,1,0,0|1,0,0]=3 307 B9R1.6 C1CCC(CC1)C(=O)O A14693 [1,0,0,1,0,0|1,0,1]=4 308 B9R1.6 CC(=O)C1CCCCC1 B21000 [1,0,0,1,0,0|0,0,2]=4 309 B9R1.6 CC(C1CCCCC1)O B20363 [1,0,0,1,0,0|0,0,0]=2 310 B9R1.6 CN(C)C1CCCCC1 L14521 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.6 C[C@@H](C1CCCCC1)N L19066 [1,0,0,1,0,0|1,0,0]=3 312 B9R1.6 C[C@H](C1CCCCC1)N L19051 [1,0,0,1,0,0|1,0,0]=3 313 B9R1.13 C1CCC(C1)CC(=O)O A15696 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.13 CC(=C)CC1CCCC1 B20662 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.148 CC1(CCCCCC1)O B20393 [1,0,0,1,0,0|0,0,0]=2 316 B11R1.166 CC1CCC(C(C1)O)C(C)C A18098 [0,1,0,1,0,0|2,0,0]=4 317 B11R1.166 C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C A10474 [0,1,0,1,0,0|2,0,0]=4 318 B11R1.166 C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C L06102 [0,1,0,1,0,0|2,0,0]=4 319 B11R1.24 CCCCC1CCCC(=O)O1 L14122 [0,1,0,1,0,0|1,0,1]=4 320 B11R1.91 C1CCC(CC1)CCC(=O)O B23613 [0,1,0,1,0,0|1,0,1]=4 321 B11R1.99 CCCCCCCCC1CO1 L07289 [0,1,0,1,0,0|0,0,0]=2 322 B11R1.742 C1CCCC(CC1)CC(=O)O L15553 [0,1,0,1,0,0|1,0,1]=4 323 B11R1.35 C1CCC(C1)C[C@@H](C(=O)O)N H66600 [0,1,0,1,0,0|1,0,1]=4 324 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N H26881 [0,1,0,1,0,0|1,0,1]=4 325 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N H63381 [0,1,0,1,0,0|1,0,1]=4 326 B11R2.238 C1CNCCC1CC2CO2 H35334 [0,0,0,2,0,0|1,0,0]=3 327 B11R2.845 C1CC2CC1CC2C(=O)O L08439 [0,0,0,2,0,0|1,0,1]=4 328 B11R2.533 CC1CCC2CC1C2(C)C B20763 [0,0,0,2,0,0|1,0,0]=3 329 B11R2.432 CN1C2CCC1CC(C2)O L02332 [0,0,0,2,0,0|1,0,0]=3 330 B11R2.1034 C1C(O1)CCCCC2CO2 L06768 [0,0,0,2,0,0|1,0,0]=3