0 B8R0.4 C#CCCCCCC#C B23784 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 C(CCCBr)CCC#N L05068 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 C(CCCCl)CCC#N L03997 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.4 C(CCCN)CCCN L02853 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.4 C(CCCO)CCCBr H54762 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 C(CCCO)CCCO L06384 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.4 C(CCC[Zn+])CCC#N H58022 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 C=CCCCCCC=C H53502 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.4 C=CCCCCCCBr H64830 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 CCCCC#CCCC B21349 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.4 CCCCC#CCCO L05414 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.4 CCCCCC#CCCl H53452 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.4 CCCCCC#CCO L05596 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.4 CCCCCCC#CC B23620 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.4 CCCCCCCC#C B24263 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.4 CCCCCCCC#N B23338 [0,0,0,0,0,0|1,0,1]=2 16 B8R0.4 CCCCCCCC=O A10901 [0,0,0,0,0,0|0,0,2]=2 17 B8R0.4 CCCCCCCCBr A14722 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.4 CCCCCCCCC A16177 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.4 CCCCCCCCCl L04358 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.4 CCCCCCCCI B22214 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.4 CCCCCCCCN B24193 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.4 CCCCCCCCO A15977 [0,0,0,0,0,0|0,0,0]=0 23 B8R0.4 CCCCCCCCO H36188 [0,0,0,0,0,0|0,0,0]=0 24 B8R0.4 CCCCCCCCS L07195 [0,0,0,0,0,0|0,1,0]=1 25 B8R0.4 CCCCCCCC[Mg+] H51174 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.4 CCCCCCCC[O-] H37523 [0,0,0,0,0,0|0,0,1]=1 27 B8R0.4 CCCCCCCC[Zn+] H58444 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.4 CCCCCCCNC H65794 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.4 CCCCCCN=C=S A12223 [0,0,0,0,0,0|1,1,1]=3 30 B8R0.4 CCCCCCOC=O L06226 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.4 CCCCCSCCO B22772 [0,0,0,0,0,0|1,0,0]=1 32 B8R0.4 CCCCC\C=C\C=O A18830 [0,0,0,0,0,0|0,0,4]=4 33 B8R0.4 CCCCC\C=C\CO A15960 [0,0,0,0,0,0|0,0,2]=2 34 B8R0.4 CCCCNCCCC A11671 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.4 CCCCOCCC#N L11342 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.4 CCCCOCCCC A16305 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.4 CCCCSCCCC L07599 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.4 CCCC[N-]CCCC L08269 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.4 CCCC[NH2+]CCCC B20251 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.4 CCCC[Sn+2]CCCC 14116 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.4 CCCC[Sn+2]CCCC 14117 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.4 CCCC[Sn+2]CCCC 18595 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.4 CCCC[Sn+2]CCCC 39618 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.4 CCCC[Sn+2]CCCC B23921 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.4 CCCC[Sn+2]CCCC L14491 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.4 CCCC\C=C/CCO A19014 [0,0,0,0,0,0|0,0,2]=2 47 B8R0.4 CCC\C=C\C=C\CO A16820 [0,0,0,0,0,0|0,0,4]=4 48 B8R0.4 CCOCCOCCBr L08522 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.4 CCOCCOCCO A14670 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.4 CC\C=C/CCCCO A19454 [0,0,0,0,0,0|0,0,2]=2 51 B8R0.4 COCCOCCOC A13397 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.1 C#CCCCCCO H61509 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.1 C(CCC#N)CCBr A10400 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.1 C(CCC#N)CCN H27804 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.1 C(CCC#N)CC[Zn+] H58480 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.1 C(CCCBr)CCBr A13417 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.1 C(CCCBr)CCCl B21619 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.1 C(CCCBr)CCO B21803 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.1 C(CCCCl)CCCl B21763 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.1 C(CCCCl)CCO A14582 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.1 C(CCCI)CCCl L05198 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.1 C(CCCI)CCI A15368 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.1 C(CCCN)CCN A14212 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.1 C(CCCO)CCN L14157 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.1 C(CCCO)CCO A12439 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.1 C(CCCS)CCS L06686 [1,0,0,0,0,0|1,1,0]=3 67 B7R0.1 C(CCC[Zn+])CCCl H58330 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.1 C(CN)CNCCBr H60309 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.1 C(CN)CNCCN A19108 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.1 C(CSSCCO)O L11800 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.1 C=CCCCCCBr H64127 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.1 CCC#CCOCC H25960 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.1 CCCC#CCCC 43157 [1,0,0,0,0,0|0,0,2]=3 74 B7R0.1 CCCC#CCCO B20884 [1,0,0,0,0,0|0,0,2]=3 75 B7R0.1 CCCCC#CCO A14959 [1,0,0,0,0,0|0,0,2]=3 76 B7R0.1 CCCCCC#CC A10197 [1,0,0,0,0,0|0,0,2]=3 77 B7R0.1 CCCCCCC#C A12440 [1,0,0,0,0,0|0,0,2]=3 78 B7R0.1 CCCCCCC#N A12326 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.1 CCCCCCC=C A11146 [1,0,0,0,0,0|0,0,2]=3 80 B7R0.1 CCCCCCC=O B23830 [1,0,0,0,0,0|0,0,2]=3 81 B7R0.1 CCCCCCCBr A14031 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.1 CCCCCCCC A13181 [1,0,0,0,0,0|0,0,0]=1 83 B7R0.1 CCCCCCCI B24206 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.1 CCCCCCCN A17922 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.1 CCCCCCCO A12793 [1,0,0,0,0,0|0,0,0]=1 86 B7R0.1 CCCCCCCS L07079 [1,0,0,0,0,0|0,1,0]=2 87 B7R0.1 CCCCCCC[Mg+] H51173 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.1 CCCCCCC[Zn+] H58840 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.1 CCCCCCOC A17207 [1,0,0,0,0,0|1,0,0]=2 90 B7R0.1 CCCCCN=C=O L13399 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.1 CCCCCN=C=S A14972 [1,0,0,0,0,0|1,1,1]=4 92 B7R0.1 CCCCC\C=C\C L03862 [1,0,0,0,0,0|0,0,2]=3 93 B7R0.1 CCCCC\C=C\C L12606 [1,0,0,0,0,0|0,0,2]=3 94 B7R0.1 CCCCNCCN L13437 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.1 CCCCOCC=C H53408 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.1 CCCCOCCO A17976 [1,0,0,0,0,0|1,0,0]=2 97 B7R0.1 CCCCSN#CC B22336 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.1 CCCC\C=C\CC 43154 [1,0,0,0,0,0|0,0,2]=3 99 B7R0.1 CCCC\C=C\CO A11750 [1,0,0,0,0,0|0,0,2]=3 100 B7R0.1 CCCSSCCC L09881 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.1 CCC\C=C/CCC 43156 [1,0,0,0,0,0|0,0,2]=3 102 B7R0.1 CCC\C=C/CCO A19172 [1,0,0,0,0,0|0,0,2]=3 103 B7R0.1 CCC\C=C\CCC 43155 [1,0,0,0,0,0|0,0,2]=3 104 B7R0.1 CCNCCNCC A17113 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.1 CCOCCOCC L14283 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.1 CC\C=C/CCCO A16596 [1,0,0,0,0,0|0,0,2]=3 107 B7R0.1 COCCOCCBr L05406 [1,0,0,0,0,0|3,0,0]=4 108 B7R0.1 COCCOCCO A16063 [1,0,0,0,0,0|2,0,0]=3 109 B9R0.2 B(\C=C\CCCCC)(O)O H52590 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.2 C(CCCN)CCC(=O)O H27519 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.2 CC(=O)OCCCCCBr A15549 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.2 CC(=O)OCCCCCCl A11111 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.2 CCCCCC#CC(=O)O B21957 [0,1,0,0,0,0|0,0,3]=4 114 B9R0.2 CCCCCCCC(=O)C A11781 [0,1,0,0,0,0|0,0,2]=3 115 B9R0.2 CCCCCCCC(=O)Cl L03526 [0,1,0,0,0,0|0,0,2]=3 116 B9R0.2 CCCCCCCC(=O)O A11149 [0,1,0,0,0,0|0,0,1]=2 117 B9R0.2 CCCCCCCC(=O)[O-] 39371 [0,1,0,0,0,0|0,0,2]=3 118 B9R0.2 CCCCCCCC(=O)[O-] 39479 [0,1,0,0,0,0|0,0,2]=3 119 B9R0.2 CCCCCCCC(=O)[O-] 39825 [0,1,0,0,0,0|0,0,2]=3 120 B9R0.2 CCCCCCCC(=O)[O-] A13451 [0,1,0,0,0,0|0,0,2]=3 121 B9R0.2 CCCCCCCC(C)Br L07387 [0,1,0,0,0,0|1,0,0]=2 122 B9R0.2 CCCCCCCC(C)C B20849 [0,1,0,0,0,0|1,0,0]=2 123 B9R0.2 CCCCCCCC(C)O L06310 [0,1,0,0,0,0|0,0,0]=1 124 B9R0.2 CCCCCCC[C@@H](C)N L19310 [0,1,0,0,0,0|1,0,0]=2 125 B9R0.2 CCCCCCC[C@H](C)N L19311 [0,1,0,0,0,0|1,0,0]=2 126 B9R0.2 CCCCCCNC(=S)N B21686 [0,1,0,0,0,0|1,1,1]=4 127 B9R0.2 CCCCCCOC(=O)C L06342 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.2 CCCCC\C=C\C(=O)O L02058 [0,1,0,0,0,0|0,0,3]=4 129 B9R0.5 CCCCCC(=O)CCC A15050 [0,1,0,0,0,0|1,0,1]=3 130 B9R0.5 CCCCCC(=O)OCC A13985 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.5 CCCCCC(CC=C)O B20284 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.5 CCCCCC(CCC)O A19496 [0,1,0,0,0,0|1,0,0]=2 133 B9R0.5 CCCCC[C@@H](C)N=C=O L20232 [0,1,0,0,0,0|1,0,2]=4 134 B9R0.5 CCCCC[C@@H](C)N=C=S L20064 [0,1,0,0,0,0|1,1,1]=4 135 B9R0.5 CCCCC[C@H](C)N=C=S L20065 [0,1,0,0,0,0|1,1,1]=4 136 B9R0.5 CCCCOC(=O)CCC B24390 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.5 CCOC(=O)CCCCBr A11952 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.5 CCOC(=O)CCCCN H51682 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.5 CCOC(=O)CCCC[Zn+] H58248 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.18 CCCCC(=O)CCCC A13722 [0,1,0,0,0,0|1,0,1]=3 141 B9R0.18 CCCCC(CCCC)O L05812 [0,1,0,0,0,0|1,0,0]=2 142 B9R0.18 CCCCS(=O)CCCC B23672 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.18 CCCNC(=O)CCCCl H59329 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.18 CCOCC(COCC)O L16275 [0,1,0,0,0,0|3,0,0]=4 145 B9R0.45 C#CCCCCCCC#C A13834 [0,1,0,0,0,0|1,0,2]=4 146 B9R0.45 C(CCCC#N)CCC#N B24543 [0,1,0,0,0,0|1,0,2]=4 147 B9R0.45 C(CCCCBr)CCCBr A15651 [0,1,0,0,0,0|1,0,0]=2 148 B9R0.45 C(CCCCBr)CCCO H27628 [0,1,0,0,0,0|0,0,0]=1 149 B9R0.45 C(CCCCCl)CCCO H28417 [0,1,0,0,0,0|0,0,0]=1 150 B9R0.45 C(CCCCI)CCCI A10867 [0,1,0,0,0,0|1,0,0]=2 151 B9R0.45 C(CCCCN)CCCN B23885 [0,1,0,0,0,0|1,0,0]=2 152 B9R0.45 C(CCCCO)CCCO A15402 [0,1,0,0,0,0|0,0,0]=1 153 B9R0.45 C(CCCCS)CCCS B24693 [0,1,0,0,0,0|0,1,0]=2 154 B9R0.45 C(CCNCCCN)CN A19096 [0,1,0,0,0,0|2,0,0]=3 155 B9R0.45 C(CNCCNCCN)N A16128 [0,1,0,0,0,0|3,0,0]=4 156 B9R0.45 C(COCCCl)OCCCl B22884 [0,1,0,0,0,0|3,0,0]=4 157 B9R0.45 C(COCCOCCN)N 44759 [0,1,0,0,0,0|3,0,0]=4 158 B9R0.45 C(COCCOCCO)O A10772 [0,1,0,0,0,0|2,0,0]=3 159 B9R0.45 C(CSCCSCCO)O A17654 [0,1,0,0,0,0|2,0,0]=3 160 B9R0.45 C=CCCCCCCC=C 31207 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.45 C=CCCCCCCCBr H64792 [0,1,0,0,0,0|1,0,1]=3 162 B9R0.45 CCCCC#CCCCC A13050 [0,1,0,0,0,0|1,0,1]=3 163 B9R0.45 CCCCC#CCCCCl L10491 [0,1,0,0,0,0|1,0,1]=3 164 B9R0.45 CCCCCC#CCC#C L12516 [0,1,0,0,0,0|1,0,2]=4 165 B9R0.45 CCCCCC#CCCC B20597 [0,1,0,0,0,0|1,0,1]=3 166 B9R0.45 CCCCCC#CCCO A12922 [0,1,0,0,0,0|0,0,1]=2 167 B9R0.45 CCCCCCC#CCC B20268 [0,1,0,0,0,0|1,0,1]=3 168 B9R0.45 CCCCCCC#CCO L06380 [0,1,0,0,0,0|0,0,1]=2 169 B9R0.45 CCCCCCCCC#C A11171 [0,1,0,0,0,0|1,0,0]=2 170 B9R0.45 CCCCCCCCC=C 31213 [0,1,0,0,0,0|1,0,0]=2 171 B9R0.45 CCCCCCCCC=C L06800 [0,1,0,0,0,0|1,0,0]=2 172 B9R0.45 CCCCCCCCC=O A15908 [0,1,0,0,0,0|0,0,1]=2 173 B9R0.45 CCCCCCCCCBr A10577 [0,1,0,0,0,0|1,0,0]=2 174 B9R0.45 CCCCCCCCCC 31209 [0,1,0,0,0,0|1,0,0]=2 175 B9R0.45 CCCCCCCCCC A14732 [0,1,0,0,0,0|1,0,0]=2 176 B9R0.45 CCCCCCCCCCl L09909 [0,1,0,0,0,0|1,0,0]=2 177 B9R0.45 CCCCCCCCCI A10667 [0,1,0,0,0,0|1,0,0]=2 178 B9R0.45 CCCCCCCCCN A18209 [0,1,0,0,0,0|1,0,0]=2 179 B9R0.45 CCCCCCCCCO A12510 [0,1,0,0,0,0|0,0,0]=1 180 B9R0.45 CCCCCCCCCS L10988 [0,1,0,0,0,0|0,1,0]=2 181 B9R0.45 CCCCCCCCC[Zn+] H58604 [0,1,0,0,0,0|1,0,0]=2 182 B9R0.45 CCCCCCCCNC L18639 [0,1,0,0,0,0|1,0,0]=2 183 B9R0.45 CCCCCCCN=C=O B21793 [0,1,0,0,0,0|0,0,2]=3 184 B9R0.45 CCCCCCCN=C=S L10866 [0,1,0,0,0,0|0,1,1]=3 185 B9R0.45 CCCCCCCNCC H65107 [0,1,0,0,0,0|1,0,0]=2 186 B9R0.45 CCCCCCOCCO B22385 [0,1,0,0,0,0|0,0,0]=1 187 B9R0.45 CCCCCC\C=C/CO A18842 [0,1,0,0,0,0|0,0,1]=2 188 B9R0.45 CCCCCC\C=C\C=O A18108 [0,1,0,0,0,0|0,0,3]=4 189 B9R0.45 CCCCC\C=C/CCO A17846 [0,1,0,0,0,0|0,0,1]=2 190 B9R0.45 CCCC\C=C\CCCC L10689 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.45 CCCNCCNCCC L04671 [0,1,0,0,0,0|2,0,0]=3 192 B9R0.45 CCOCCCCOCC B25607 [0,1,0,0,0,0|2,0,0]=3 193 B9R0.45 CC\C=C/CCCCC=O L08260 [0,1,0,0,0,0|0,0,3]=4 194 B9R0.45 CC\C=C/CCCCCO L08387 [0,1,0,0,0,0|0,0,1]=2 195 B9R0.45 COCCCCCCOC B25130 [0,1,0,0,0,0|1,0,0]=2 196 B9R0.46 CCCCCCC(=O)CC A19878 [0,1,0,0,0,0|1,0,1]=3 197 B9R0.46 CCCCCCC(C=C)O L06889 [0,1,0,0,0,0|1,0,1]=3 198 B9R0.46 CCCCCCC(CC)O A19120 [0,1,0,0,0,0|1,0,0]=2 199 B9R0.46 CCCCCCC(CO)O L08031 [0,1,0,0,0,0|0,0,0]=1 200 B9R1.5 CN1CCCCCC1=O A17776 [0,0,0,1,0,0|1,0,2]=4 201 B9R1.8 C#CCC1CCCCC1 B20505 [0,0,0,1,0,0|1,0,1]=3 202 B9R1.8 C1CCC(=CC1)CCN L08261 [0,0,0,1,0,0|1,0,2]=4 203 B9R1.8 C1CCC(CC1)CCBr L09466 [0,0,0,1,0,0|1,0,0]=2 204 B9R1.8 C1CCC(CC1)CCN H27987 [0,0,0,1,0,0|1,0,0]=2 205 B9R1.8 C1CCC(CC1)CCN H35368 [0,0,0,1,0,0|1,0,0]=2 206 B9R1.8 C1CCC(CC1)CCO B20782 [0,0,0,1,0,0|0,0,0]=1 207 B9R1.8 C1CCC(CC1)CC[Zn+] H58193 [0,0,0,1,0,0|1,0,0]=2 208 B9R1.8 C1CCC(CC1)N=C=N L19463 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.8 C1CCC(CC1)N=C=O B23059 [0,0,0,1,0,0|1,0,2]=4 210 B9R1.8 C1CCC(CC1)N=C=S A15585 [0,0,0,1,0,0|1,1,1]=4 211 B9R1.8 C1CCN(CC1)CC#N A12464 [0,0,0,1,0,0|2,0,1]=4 212 B9R1.8 C1CCN(CC1)CCCl B22985 [0,0,0,1,0,0|2,0,0]=3 213 B9R1.8 C1CCN(CC1)CCN A18373 [0,0,0,1,0,0|2,0,0]=3 214 B9R1.8 C1CCN(CC1)CCO B23816 [0,0,0,1,0,0|1,0,0]=2 215 B9R1.8 C1CN(CCN1)CCN A10154 [0,0,0,1,0,0|3,0,0]=4 216 B9R1.8 C1CN(CCN1)CCO A17215 [0,0,0,1,0,0|2,0,0]=3 217 B9R1.8 C1COC(OC1)CCBr L00958 [0,0,0,1,0,0|2,0,0]=3 218 B9R1.8 C1COC(OC1)CC[Zn+] H58912 [0,0,0,1,0,0|2,0,0]=3 219 B9R1.8 C1COCCN1CCCl L05771 [0,0,0,1,0,0|3,0,0]=4 220 B9R1.8 C1COCCN1CCN B21365 [0,0,0,1,0,0|3,0,0]=4 221 B9R1.8 C1COCCN1CCO B22759 [0,0,0,1,0,0|2,0,0]=3 222 B9R1.8 C=CCC1CCCCC1 L00946 [0,0,0,1,0,0|1,0,1]=3 223 B9R1.8 C=CCN1CCCCC1 L12312 [0,0,0,1,0,0|2,0,1]=4 224 B9R1.8 CCCC1CCNCC1 H25848 [0,0,0,1,0,0|2,0,0]=3 225 B9R1.8 CCCN1CCNCC1 A10258 [0,0,0,1,0,0|3,0,0]=4 226 B9R1.8 CCNC1CCCCC1 L14221 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.8 CCOC1CCCNC1 H50957 [0,0,0,1,0,0|3,0,0]=4 228 B9R1.8 CCOC1CCCNC1 H51152 [0,0,0,1,0,0|3,0,0]=4 229 B9R1.8 CCOC1CCNCC1 H51028 [0,0,0,1,0,0|3,0,0]=4 230 B9R1.8 COCC1CCNCC1 H51020 [0,0,0,1,0,0|3,0,0]=4 231 B9R1.12 C1CC(OC1)CN=C=S L09878 [0,0,0,1,0,0|2,0,1]=4 232 B9R1.12 C1CCN(C1)CCC#N L01818 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.12 C1CCN(C1)CCCN L04739 [0,0,0,1,0,0|2,0,0]=3 234 B9R1.14 CCN1CCC[C@@H]1CN H57638 [0,0,0,1,0,0|2,0,0]=3 235 B9R1.14 CCN1CCC[C@H]1CN H57137 [0,0,0,1,0,0|2,0,0]=3 236 B9R1.15 CCC1CCCCC1=O B20748 [0,0,0,1,0,0|0,0,2]=3 237 B9R1.15 CN1CCCCC1CO B22187 [0,0,0,1,0,0|1,0,0]=2 238 B9R1.15 CO[C@H]1CCCC[C@@H]1O L19065 [0,0,0,1,0,0|1,0,0]=2 239 B9R1.50 C1CCCC(=O)CCC1 B20911 [0,0,0,1,0,0|0,0,2]=3 240 B9R1.50 C1CCCC(CCC1)Br B24839 [0,0,0,1,0,0|1,0,0]=2 241 B9R1.50 C1CCCC(CCC1)N L00981 [0,0,0,1,0,0|1,0,0]=2 242 B9R1.50 C1CCCC(CCC1)O A17825 [0,0,0,1,0,0|0,0,0]=1 243 B9R1.83 C=CCCCCC1CO1 L07033 [0,0,0,1,0,0|0,0,2]=3 244 B9R1.83 CCCCCCC1CO1 B21463 [0,0,0,1,0,0|0,0,0]=1 245 B9R1.83 CCCCOCC1CO1 L16201 [0,0,0,1,0,0|1,0,0]=2 246 B9R1.89 C1CCCC(CC1)C#N H25804 [0,0,0,1,0,0|1,0,1]=3 247 B9R1.89 C1CCCC(CC1)CN L14659 [0,0,0,1,0,0|1,0,0]=2 248 B9R1.89 CNC1CCCCCC1 H66044 [0,0,0,1,0,0|2,0,0]=3 249 B6R0.6 C#CCCCCO 43370 [2,0,0,0,0,0|0,0,2]=4 250 B6R0.6 C(CCBr)CCBr A18465 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.6 C(CCCl)CCBr B20479 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.6 C(CCCl)CCCl A12433 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.6 C(CCCl)CCI L04469 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.6 C(CCCl)CC[Zn+] H58957 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.6 C(CCF)CCBr H64806 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.6 C(CCI)CCI A17298 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.6 C(CCN)CCN B23039 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.6 C(CCN)CCO H33954 [2,0,0,0,0,0|1,0,0]=3 259 B6R0.6 C(CCN)CCO L01979 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.6 C(CCO)CCCl L12088 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.6 C(CCO)CCO A13998 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.6 C(CCS)CCS B25665 [2,0,0,0,0,0|1,1,0]=4 263 B6R0.6 C(CNCCO)N A10833 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.6 C(CO)NCCO A13389 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.6 C(COCCCl)O A13074 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.6 C(COCCO)N L18897 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.6 C(COCCO)O A14728 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.6 C=CCCCCO A15766 [2,0,0,0,0,0|0,0,2]=4 269 B6R0.6 CCCC#CCC H53504 [2,0,0,0,0,0|0,0,2]=4 270 B6R0.6 CCCC#CCO A13339 [2,0,0,0,0,0|0,0,2]=4 271 B6R0.6 CCCCC#CC B21528 [2,0,0,0,0,0|0,0,2]=4 272 B6R0.6 CCCCCC#C A11130 [2,0,0,0,0,0|0,0,2]=4 273 B6R0.6 CCCCCC=C L11487 [2,0,0,0,0,0|0,0,2]=4 274 B6R0.6 CCCCCC=O A16265 [2,0,0,0,0,0|0,0,2]=4 275 B6R0.6 CCCCCCBr A15166 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.6 CCCCCCC 22911 [2,0,0,0,0,0|0,0,0]=2 277 B6R0.6 CCCCCCC 32441 [2,0,0,0,0,0|0,0,0]=2 278 B6R0.6 CCCCCCC 40978 [2,0,0,0,0,0|0,0,0]=2 279 B6R0.6 CCCCCCC 44457 [2,0,0,0,0,0|0,0,0]=2 280 B6R0.6 CCCCCCC 47191 [2,0,0,0,0,0|0,0,0]=2 281 B6R0.6 CCCCCCC A19894 [2,0,0,0,0,0|0,0,0]=2 282 B6R0.6 CCCCCCC H33987 [2,0,0,0,0,0|0,0,0]=2 283 B6R0.6 CCCCCCCl B22379 [2,0,0,0,0,0|1,0,0]=3 284 B6R0.6 CCCCCCI A13784 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.6 CCCCCCN A15663 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.6 CCCCCCO A18232 [2,0,0,0,0,0|0,0,0]=2 287 B6R0.6 CCCCCCS L09659 [2,0,0,0,0,0|0,1,0]=3 288 B6R0.6 CCCCCC[Mg+] H51167 [2,0,0,0,0,0|1,0,0]=3 289 B6R0.6 CCCCCC[Zn+] H58384 [2,0,0,0,0,0|1,0,0]=3 290 B6R0.6 CCCCCNC L04882 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.6 CCCCNCC B22881 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.6 CCCCOCC A17963 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.6 CCCNCCC L15808 [2,0,0,0,0,0|1,0,0]=3 294 B6R0.6 CCCNCCN L03517 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.6 CCCOCCC B21423 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.6 CCCSCCC B23155 [2,0,0,0,0,0|1,0,0]=3 297 B6R0.6 CCCSCCO L12528 [2,0,0,0,0,0|1,0,0]=3 298 B6R0.6 CCC\C=C/CO A13734 [2,0,0,0,0,0|0,0,2]=4 299 B6R0.6 CCC\C=C\CC B25297 [2,0,0,0,0,0|0,0,2]=4 300 B6R0.6 CCC\C=C\CC H53482 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.6 CCC\C=C\CO A13272 [2,0,0,0,0,0|0,0,2]=4 302 B6R0.6 CCOCCCN B23694 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.6 CCOCCOC B20819 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.6 CCOCOCC B23134 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.6 CCSCCCO B22710 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.6 CC\C=C/CCO A10313 [2,0,0,0,0,0|0,0,2]=4 307 B6R0.6 CC\C=C\CCO L10541 [2,0,0,0,0,0|0,0,2]=4 308 B6R0.6 CNCCCNC A16901 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.6 COCCCCO H50339 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.6 CSCCCCO B22673 [2,0,0,0,0,0|1,0,0]=3 311 B6R0.6 CSCCCSC B22397 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.6 C\C=C/CCCO A19266 [2,0,0,0,0,0|0,0,2]=4 313 B6R0.6 C\C=C\CCCO H54459 [2,0,0,0,0,0|0,0,2]=4 314 B6R0.6 [Li]CCCCCC 47271 [2,0,0,0,0,0|1,0,0]=3 315 B6R0.6 [Li]CCCCCC L15102 [2,0,0,0,0,0|1,0,0]=3 316 B8R0.1 CCCCC(=O)OCC A14854 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.1 CCCCC(CC=C)O B20707 [1,1,0,0,0,0|0,0,2]=4 318 B8R0.1 CCCCN(C)CCO H50337 [1,1,0,0,0,0|1,0,0]=3 319 B8R0.6 C(CCO)CC(CO)O L06032 [1,1,0,0,0,0|1,0,0]=3 320 B8R0.6 CCCCCC(=O)CC A12113 [1,1,0,0,0,0|0,0,1]=3 321 B8R0.6 CCCCCC(=O)OC A10757 [1,1,0,0,0,0|1,0,1]=4 322 B8R0.6 CCCCCC(C#C)O A13267 [1,1,0,0,0,0|0,0,2]=4 323 B8R0.6 CCCCCC(C=C)O A12079 [1,1,0,0,0,0|0,0,2]=4 324 B8R0.6 CCCCCC(CC)O A14488 [1,1,0,0,0,0|0,0,0]=2 325 B8R0.6 CCCCC[C@@H](C#C)O L19046 [1,1,0,0,0,0|0,0,2]=4 326 B8R0.6 CCCCC[C@H](C#C)O L19045 [1,1,0,0,0,0|0,0,2]=4 327 B8R0.6 CCCCC[C@H](CC)O H66963 [1,1,0,0,0,0|0,0,0]=2 328 B8R0.6 CCCCOC(=O)CC B20125 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.7 B(CCCCCC)(O)O B22446 [1,1,0,0,0,0|1,0,0]=3 330 B8R0.7 C(CCC(=O)O)CCBr A15761 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.7 C(CCC(=O)O)CCN A14719 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.7 C(CCC(=O)O)CCO B24857 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.7 CC(C)CCCCCN B24746 [1,1,0,0,0,0|1,0,0]=3 334 B8R0.7 CCCCCCC(=O)C A11643 [1,1,0,0,0,0|0,0,1]=3 335 B8R0.7 CCCCCCC(=O)Cl L03315 [1,1,0,0,0,0|0,0,2]=4 336 B8R0.7 CCCCCCC(=O)O A17704 [1,1,0,0,0,0|0,0,1]=3 337 B8R0.7 CCCCCCC(C)O A16985 [1,1,0,0,0,0|0,0,0]=2 338 B8R0.7 CCCCCCN(C)C A17364 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.7 CCCCCC[C@@H](C)N L19308 [1,1,0,0,0,0|0,0,0]=2 340 B8R0.7 CCCCCC[C@@H](C)O L11502 [1,1,0,0,0,0|0,0,0]=2 341 B8R0.7 CCCCCC[C@H](C)N L19309 [1,1,0,0,0,0|0,0,0]=2 342 B8R0.7 CCCCCC[C@H](C)O L12425 [1,1,0,0,0,0|0,0,0]=2 343 B8R0.7 CCCCCOC(=O)C L10852 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.7 CCCCOCC(=O)O H50210 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.7 CCCC\C=C\C(C)O B21741 [1,1,0,0,0,0|0,0,2]=4 346 B10R0.3 CC(CCC=C(C)C)CCO A19016 [0,2,0,0,0,0|0,0,2]=4 347 B10R0.3 C[C@@H](CCC=C(C)C)CCO H60174 [0,2,0,0,0,0|0,0,2]=4 348 B10R0.4 B(CCCCCCCC)(O)O L19964 [0,2,0,0,0,0|0,0,0]=2 349 B10R0.4 B(\C=C\CCCCCC)(O)O H52634 [0,2,0,0,0,0|0,0,2]=4 350 B10R0.4 C(CCCC(=O)O)CCCBr B25575 [0,2,0,0,0,0|0,0,1]=3 351 B10R0.4 C(CCCC(=O)O)CCCN A17353 [0,2,0,0,0,0|0,0,1]=3 352 B10R0.4 CCCCCCCCC(=O)C A14145 [0,2,0,0,0,0|0,0,1]=3 353 B10R0.4 CCCCCCCCC(=O)Cl A17671 [0,2,0,0,0,0|0,0,1]=3 354 B10R0.4 CCCCCCCCC(=O)O B21568 [0,2,0,0,0,0|0,0,0]=2 355 B10R0.4 CCCCCCCCC(C)O L05688 [0,2,0,0,0,0|0,0,0]=2 356 B10R0.4 CCCCCCCCN(C)C A12546 [0,2,0,0,0,0|1,0,0]=3 357 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [0,2,0,0,0,0|0,0,2]=4 358 B10R0.22 CCCCCCCC(C)(C)Cl 43784 [0,2,0,0,0,0|1,0,0]=3 359 B10R0.22 CCCCCCCS(=O)(=O)[O-] 15214 [0,2,0,0,0,0|1,0,1]=4 360 B10R0.22 CCCCCCCS(=O)(=O)[O-] A10917 [0,2,0,0,0,0|1,0,1]=4 361 B10R0.74 CCCCCCCC(=O)CC B20909 [0,2,0,0,0,0|1,0,0]=3 362 B10R0.74 CCCCCCCC(=O)OC A10991 [0,2,0,0,0,0|0,0,1]=3 363 B10R0.74 CCCCCCCC(CC)O B24141 [0,2,0,0,0,0|0,0,0]=2 364 B10R0.74 COC(=O)CCCCCCBr H27234 [0,2,0,0,0,0|1,0,1]=4 365 B10R0.74 COC(=O)CCCCCCCl H27098 [0,2,0,0,0,0|1,0,1]=4 366 B10R0.75 CCCCCCC(C(=O)O)O L02314 [0,2,0,0,0,0|0,0,1]=3 367 B10R0.78 CCCCC(C)CCC(=O)O B22616 [0,2,0,0,0,0|0,0,1]=3 368 B10R0.97 CC(C)CCNCCC(C)C L02297 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.97 CC(C)CCOCCC(C)C A11231 [0,2,0,0,0,0|2,0,0]=4 370 B10R0.97 CC(C)CCSCCC(C)C B23030 [0,2,0,0,0,0|2,0,0]=4 371 B10R0.1 CCCCCCC(=O)OCC A14729 [0,2,0,0,0,0|1,0,1]=4 372 B10R0.1 CCCCCCC(CCC)O B20866 [0,2,0,0,0,0|1,0,0]=3 373 B10R0.1 CCCCCC[C@@H](C)N=C=O L20244 [0,2,0,0,0,0|0,0,2]=4 374 B10R0.1 CCCCCC[C@@H](C)N=C=S L19984 [0,2,0,0,0,0|0,1,1]=4 375 B10R0.1 CCCCCC[C@H](C)N=C=O L20245 [0,2,0,0,0,0|0,0,2]=4 376 B10R0.1 CCCCCC[C@H](C)N=C=S L19985 [0,2,0,0,0,0|0,1,1]=4 377 B10R0.1 CCOC(=O)CCCCCBr A18398 [0,2,0,0,0,0|1,0,1]=4 378 B10R0.1 CCOC(=O)CCCCCN H50296 [0,2,0,0,0,0|1,0,1]=4 379 B10R0.1 CCOC(=O)CCCCC[Zn+] H58304 [0,2,0,0,0,0|1,0,1]=4 380 B10R0.19 CCCCC(=O)C(C)CCC B23219 [0,2,0,0,0,0|1,0,1]=4 381 B10R0.19 CCCCC(=O)C(CCC)Br H32136 [0,2,0,0,0,0|1,0,1]=4 382 B10R0.19 CCCCC(C(C)CCC)O B23167 [0,2,0,0,0,0|1,0,0]=3 383 B10R0.24 CCCCCC(CCC)CO H50340 [0,2,0,0,0,0|1,0,0]=3 384 B10R0.91 CCCCCC(=O)OCCC B25215 [0,2,0,0,0,0|1,0,1]=4 385 B10R0.91 CCCCNC(=O)CCCCl H59083 [0,2,0,0,0,0|1,0,1]=4 386 B10R0.156 CCCCCC(C)(CCC)O B20690 [0,2,0,0,0,0|1,0,0]=3 387 B10R0.16 CCCCN(CCCC)C=O L12755 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.116 CCCCC(C)(CCCC)O B20810 [0,2,0,0,0,0|1,0,0]=3 389 B10R0.116 CCCC[Ge](CCCC)(Cl)Cl A17138 [0,2,0,0,0,0|1,1,0]=4 390 B10R0.71 C(CCCC#N)CCCC#N A19372 [0,2,0,0,0,0|1,0,1]=4 391 B10R0.71 C(CCCCBr)CCCCBr A14324 [0,2,0,0,0,0|1,0,0]=3 392 B10R0.71 C(CCCCCl)CCCCCl H64561 [0,2,0,0,0,0|1,0,0]=3 393 B10R0.71 C(CCCCN)CCCCN L02043 [0,2,0,0,0,0|1,0,0]=3 394 B10R0.71 C(CCCCO)CCCCBr H61393 [0,2,0,0,0,0|0,0,0]=2 395 B10R0.71 C(CCCCO)CCCCO L06336 [0,2,0,0,0,0|0,0,0]=2 396 B10R0.71 C(CCCCS)CCCCS L07172 [0,2,0,0,0,0|0,1,0]=3 397 B10R0.71 C(CCCl)COCCCCCl L17055 [0,2,0,0,0,0|1,0,0]=3 398 B10R0.71 C(CNCCN)CNCCN H54950 [0,2,0,0,0,0|2,0,0]=4 399 B10R0.71 C=CCCCCCCCCO A19490 [0,2,0,0,0,0|0,0,0]=2 400 B10R0.71 CCC#CCCCCCCCl B21556 [0,2,0,0,0,0|1,0,0]=3 401 B10R0.71 CCCCC#CCCCCO H53400 [0,2,0,0,0,0|0,0,0]=2 402 B10R0.71 CCCCCCC#CCCO B20837 [0,2,0,0,0,0|0,0,0]=2 403 B10R0.71 CCCCCCCC#CCC B21753 [0,2,0,0,0,0|1,0,0]=3 404 B10R0.71 CCCCCCCC#CCO L05523 [0,2,0,0,0,0|0,0,0]=2 405 B10R0.71 CCCCCCCCCC#C L02883 [0,2,0,0,0,0|1,0,0]=3 406 B10R0.71 CCCCCCCCCC#N A18798 [0,2,0,0,0,0|1,0,0]=3 407 B10R0.71 CCCCCCCCCC=C H53387 [0,2,0,0,0,0|1,0,0]=3 408 B10R0.71 CCCCCCCCCC=O A11656 [0,2,0,0,0,0|0,0,1]=3 409 B10R0.71 CCCCCCCCCCBr A11340 [0,2,0,0,0,0|1,0,0]=3 410 B10R0.71 CCCCCCCCCCC 31807 [0,2,0,0,0,0|1,0,0]=3 411 B10R0.71 CCCCCCCCCCI A16173 [0,2,0,0,0,0|1,0,0]=3 412 B10R0.71 CCCCCCCCCCO A17288 [0,2,0,0,0,0|0,0,0]=2 413 B10R0.71 CCCCCCCCCCS A15913 [0,2,0,0,0,0|0,1,0]=3 414 B10R0.71 CCCCCCCCCC[Zn+] H58155 [0,2,0,0,0,0|1,0,0]=3 415 B10R0.71 CCCCCCCCN=C=O L18746 [0,2,0,0,0,0|0,0,1]=3 416 B10R0.71 CCCCCCCCN=C=S A14501 [0,2,0,0,0,0|0,1,0]=3 417 B10R0.71 CCCCCCC\C=C\C=O L05901 [0,2,0,0,0,0|0,0,2]=4 418 B10R0.71 CCCCCSCCCCC L04649 [0,2,0,0,0,0|1,0,0]=3 419 B10R0.71 CCCCC\C=C/CCC=O L06382 [0,2,0,0,0,0|0,0,2]=4 420 B10R0.71 CCCCC\C=C/CCCO A18311 [0,2,0,0,0,0|0,0,0]=2 421 B10R0.71 CCCCC\C=C\C=C\CO A15989 [0,2,0,0,0,0|0,0,2]=4 422 B10R0.71 CCCCC\C=C\CCC=O L05715 [0,2,0,0,0,0|0,0,2]=4 423 B10R0.71 CCCCOCCOCCO A16068 [0,2,0,0,0,0|0,0,0]=2 424 B10R0.71 CCCC\C=C\CCCCO L11768 [0,2,0,0,0,0|0,0,0]=2 425 B10R0.71 CCOCCOCCOCC 43464 [0,2,0,0,0,0|2,0,0]=4 426 B10R0.71 CCOCCOCCOCC A17478 [0,2,0,0,0,0|2,0,0]=4 427 B10R0.71 COCCOCOCCOC L17598 [0,2,0,0,0,0|2,0,0]=4 428 B10R0.41 CCCCCCC(OC)OC L04335 [0,2,0,0,0,0|2,0,0]=4 429 B10R0.62 CCCCCCC(C)(C#C)O B24106 [0,2,0,0,0,0|1,0,1]=4 430 B10R0.62 CCCCCCC(C)(CC)O B20640 [0,2,0,0,0,0|1,0,0]=3 431 B8R1.2 C#CC1CCCCC1 H53418 [1,0,0,1,0,0|0,0,2]=4 432 B8R1.2 C1CC(CNC1)CO L04264 [1,0,0,1,0,0|1,0,0]=3 433 B8R1.2 C1CCC(=NO)CC1 A19820 [1,0,0,1,0,0|1,0,1]=4 434 B8R1.2 C1CCC(CC1)C=O B23837 [1,0,0,1,0,0|0,0,2]=4 435 B8R1.2 C1CCC(CC1)CBr L11343 [1,0,0,1,0,0|1,0,0]=3 436 B8R1.2 C1CCC(CC1)CN L06501 [1,0,0,1,0,0|1,0,0]=3 437 B8R1.2 C1CCC(CC1)CO L06538 [1,0,0,1,0,0|0,0,0]=2 438 B8R1.2 C1CCC(CC1)C[Zn+] H58186 [1,0,0,1,0,0|1,0,0]=3 439 B8R1.2 C1CCC(CC1)NO L03569 [1,0,0,1,0,0|1,0,0]=3 440 B8R1.2 C1CCNC(C1)CN L20122 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.2 C1CCNC(C1)CO H60178 [1,0,0,1,0,0|1,0,0]=3 442 B8R1.2 C1CCOC(C1)CCl L07725 [1,0,0,1,0,0|1,0,0]=3 443 B8R1.2 C1CCOC(C1)CO L17417 [1,0,0,1,0,0|1,0,0]=3 444 B8R1.2 C1CNCCC1CN L11577 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.2 C1CNCCC1CO L17964 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.2 C1COC(CN1)CO H64154 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.2 C1COCCC1CO H64568 [1,0,0,1,0,0|1,0,0]=3 448 B8R1.2 C1CO[C@H](CN1)CO H64003 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.2 C=CC1CCCCC1 L10756 [1,0,0,1,0,0|0,0,2]=4 450 B8R1.2 CCN1CCCCC1 A16294 [1,0,0,1,0,0|1,0,0]=3 451 B8R1.2 CCN1CCNCC1 L15539 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.2 CCN1CCOCC1 A11905 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.2 CNC1CCCCC1 L13872 [1,0,0,1,0,0|1,0,0]=3 454 B8R1.2 COC1CCCNC1 H51138 [1,0,0,1,0,0|2,0,0]=4 455 B8R1.2 CSC1CCCCC1 L03712 [1,0,0,1,0,0|1,0,0]=3 456 B8R1.5 C1CCC(C(C1)N)N B24657 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.5 C1CCC(C(C1)O)O A18572 [1,0,0,1,0,0|1,0,0]=3 458 B8R1.5 C1CC[C@@H]([C@H](C1)N)N L14072 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br H53456 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L06626 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L14059 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.5 C1CC[C@H]([C@@H](C1)N)O B22324 [1,0,0,1,0,0|1,0,0]=3 463 B8R1.5 C1CC[C@H]([C@@H](C1)O)F H26031 [1,0,0,1,0,0|1,0,0]=3 464 B8R1.5 C1CC[C@H]([C@@H](C1)O)O L07088 [1,0,0,1,0,0|1,0,0]=3 465 B8R1.5 CC1C(NCCN1)C H26252 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.5 CC1CCCCC1=O A14741 [1,0,0,1,0,0|0,0,2]=4 467 B8R1.5 CC1CCCCC1N L02285 [1,0,0,1,0,0|1,0,0]=3 468 B8R1.5 CC1CCCCC1O A12877 [1,0,0,1,0,0|0,0,0]=2 469 B8R1.5 C[C@@H]1CCCC[C@@H]1C 31467 [1,0,0,1,0,0|0,0,0]=2 470 B8R1.8 C#CCC1CCCC1 L11514 [1,0,0,1,0,0|0,0,2]=4 471 B8R1.8 C1CCC(C1)CCO B22344 [1,0,0,1,0,0|0,0,0]=2 472 B8R1.8 C1CCN(C1)CCCl B22236 [1,0,0,1,0,0|2,0,0]=4 473 B8R1.8 C1CCN(C1)CCN B24645 [1,0,0,1,0,0|2,0,0]=4 474 B8R1.8 C1CCN(C1)CCO H60368 [1,0,0,1,0,0|1,0,0]=3 475 B8R1.8 C1COC(O1)CCBr A11441 [1,0,0,1,0,0|2,0,0]=4 476 B8R1.8 C1COC(O1)CC[Zn+] H58916 [1,0,0,1,0,0|2,0,0]=4 477 B8R1.8 C=CCC1CCCC1 B20228 [1,0,0,1,0,0|0,0,2]=4 478 B8R1.8 COC[C@@H]1CCCN1 L09608 [1,0,0,1,0,0|2,0,0]=4 479 B8R1.8 COC[C@H]1CCCN1 L19492 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.11 CN1CCC[C@H]1CO H62573 [1,0,0,1,0,0|1,0,0]=3 481 B8R1.22 C1CCC(=O)OCC1 A10299 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.22 C1CCCC(=O)CC1 A13421 [1,0,0,1,0,0|0,0,2]=4 483 B8R1.22 C1CCCC(CC1)Br B23110 [1,0,0,1,0,0|1,0,0]=3 484 B8R1.22 C1CCCC(CC1)N L01699 [1,0,0,1,0,0|1,0,0]=3 485 B8R1.22 CN1CCCNCC1 H55441 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.49 C1CCCCCCC1 L15000 [1,0,0,1,0,0|0,0,0]=2 487 B8R1.49 C1CCC\C=C/CC1 A13477 [1,0,0,1,0,0|0,0,2]=4 488 B8R1.49 C1CC\C=C/CCC1 44966 [1,0,0,1,0,0|0,0,2]=4 489 B10R1.10 CCCC1CCCC(=O)O1 L14303 [0,1,0,1,0,0|0,0,1]=3 490 B10R1.10 CCCC1CCOC(S1)C B22630 [0,1,0,1,0,0|1,1,0]=4 491 B10R1.16 CCCCC1CCC(=O)O1 A18142 [0,1,0,1,0,0|0,0,1]=3 492 B10R1.18 C1CCC(CC1)CC(=O)O H31986 [0,1,0,1,0,0|0,0,1]=3 493 B10R1.18 C1CNCCC1CC(=O)O H64031 [0,1,0,1,0,0|1,0,1]=4 494 B10R1.18 CC(=O)CC1CCCCC1 A12748 [0,1,0,1,0,0|0,0,2]=4 495 B10R1.18 CC(C)CC1SCCCS1 B21471 [0,1,0,1,0,0|1,1,0]=4 496 B10R1.18 CC(CN1CCOCC1)O L11859 [0,1,0,1,0,0|2,0,0]=4 497 B10R1.61 C1CC[C@@H]([C@H](C1)C(=O)O)N H52779 [0,1,0,1,0,0|1,0,1]=4 498 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N H52418 [0,1,0,1,0,0|1,0,1]=4 499 B10R1.66 C1CCC(C1)CCC(=O)Cl A17715 [0,1,0,1,0,0|0,0,2]=4 500 B10R1.66 C1CCC(C1)CCC(=O)O A18192 [0,1,0,1,0,0|0,0,1]=3 501 B10R1.66 CC(=O)OCC1CCCO1 B23205 [0,1,0,1,0,0|1,0,1]=4 502 B10R1.78 C1CCCC(=O)NCCC1 A18621 [0,1,0,1,0,0|0,0,2]=4 503 B10R1.21 C1CCN(C1)CCCCN H50323 [0,1,0,1,0,0|1,0,0]=3 504 B10R1.85 C1CCCC(CC1)CCCl B21604 [0,1,0,1,0,0|1,0,0]=3 505 B10R1.85 C1CCCN(CC1)CCCl L01833 [0,1,0,1,0,0|1,0,0]=3 506 B10R1.85 C1CCCN(CC1)CCO L06497 [0,1,0,1,0,0|0,0,0]=2 507 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CO H62920 [0,1,0,1,0,0|1,0,1]=4 508 B10R1.138 CCCC(=O)OC[C@@H]1CO1 L18558 [0,1,0,1,0,0|1,0,1]=4 509 B10R1.138 CCCC(=O)OC[C@H]1CO1 L18557 [0,1,0,1,0,0|1,0,1]=4 510 B10R1.377 C=CCC1(CCCCC1)O A19066 [0,1,0,1,0,0|1,0,1]=4 511 B10R1.377 CCCC1(CCCCC1)O B20946 [0,1,0,1,0,0|1,0,0]=3 512 B10R1.4 CCOC1CCCCC1=O H27613 [0,1,0,1,0,0|0,0,2]=4 513 B10R1.17 C1CCC(CC1)CN=C=S L10129 [0,1,0,1,0,0|0,1,1]=4 514 B10R1.17 C1CCC(CC1)NCCO L10821 [0,1,0,1,0,0|0,0,0]=2 515 B10R1.17 C1CCN(CC1)CCC#N L01469 [0,1,0,1,0,0|1,0,1]=4 516 B10R1.17 C1CN(CCN1)CCCO H50290 [0,1,0,1,0,0|1,0,0]=3 517 B10R1.17 C1COCCN1CCCCl H35222 [0,1,0,1,0,0|2,0,0]=4 518 B10R1.17 C1COCCN1CCCN B23485 [0,1,0,1,0,0|2,0,0]=4 519 B10R1.17 C1COCCN1CCCO H60376 [0,1,0,1,0,0|1,0,0]=3 520 B10R1.17 C=CCOC1CCCCO1 H56114 [0,1,0,1,0,0|0,0,2]=4 521 B10R1.17 CCCCC1CCCCC1 L08845 [0,1,0,1,0,0|1,0,0]=3 522 B10R1.17 CCCOC1CCNCC1 H50976 [0,1,0,1,0,0|2,0,0]=4 523 B10R1.17 CCOCC1CCNCC1 H50975 [0,1,0,1,0,0|2,0,0]=4 524 B10R1.17 COCCN1CCNCC1 H55278 [0,1,0,1,0,0|2,0,0]=4 525 B10R1.20 CN[C@H]1CCCC[C@@H]1NC H64396 [0,1,0,1,0,0|2,0,0]=4 526 B10R1.161 C1CCCC(=NO)CCC1 A16672 [0,1,0,1,0,0|0,0,1]=3 527 B10R1.161 C1CCCC(CCC1)CO B20450 [0,1,0,1,0,0|0,0,0]=2 528 B10R1.1 C1CN(CCN1CCO)N H55134 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.1 CCCC1CCC(=O)CC1 A11126 [0,1,0,1,0,0|1,0,1]=4 530 B10R1.15 CCC(=O)C1CCCCC1 B20409 [0,1,0,1,0,0|1,0,1]=4 531 B10R1.15 CCC(C1CCCCC1)O B20497 [0,1,0,1,0,0|1,0,0]=3 532 B10R2.7 C1C[C@@H]2CNCCN2C1 H52554 [0,0,0,2,0,0|2,0,0]=4 533 B10R2.7 C1C[C@H]2CNCCN2C1 H52295 [0,0,0,2,0,0|2,0,0]=4 534 B10R2.62 C1CN2CCC1C(C2)O B21503 [0,0,0,2,0,0|1,0,0]=3 535 B10R2.408 B1[C@H]2CCC[C@@H]1CCC2 H52287 [0,0,0,2,0,0|1,0,0]=3 536 B10R2.408 B1[C@H]2CCC[C@@H]1CCC2 L15166 [0,0,0,2,0,0|1,0,0]=3 537 B10R2.484 C1CCNC2(C1)COC2 H57584 [0,0,0,2,0,0|2,0,0]=4