0 B9R0.45 C(CCCCBr)CCCBr A15651 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C(CCCCBr)CCCO H27628 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.45 C(CCCCCl)CCCO H28417 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 C(CCCCI)CCCI A10867 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 C(CCCCN)CCCN B23885 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.45 C(CCCCO)CCCO A15402 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.45 C(CCCCS)CCCS B24693 [0,0,0,0,0,0|1,1,2]=4 7 B9R0.45 C(COCCOCCO)O A10772 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.45 C(CSCCSCCO)O A17654 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.45 CCCCCC#CCCC B20597 [0,0,0,0,0,0|1,0,3]=4 10 B9R0.45 CCCCCC#CCCO A12922 [0,0,0,0,0,0|0,0,4]=4 11 B9R0.45 CCCCCCC#CCC B20268 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.45 CCCCCCC#CCO L06380 [0,0,0,0,0,0|0,0,4]=4 13 B9R0.45 CCCCCCCCC#C A11171 [0,0,0,0,0,0|1,0,3]=4 14 B9R0.45 CCCCCCCCC=C 31213 [0,0,0,0,0,0|1,0,3]=4 15 B9R0.45 CCCCCCCCC=C L06800 [0,0,0,0,0,0|1,0,3]=4 16 B9R0.45 CCCCCCCCC=O A15908 [0,0,0,0,0,0|0,0,4]=4 17 B9R0.45 CCCCCCCCCBr A10577 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.45 CCCCCCCCCC 31209 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.45 CCCCCCCCCC A14732 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.45 CCCCCCCCCCl L09909 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.45 CCCCCCCCCI A10667 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.45 CCCCCCCCCN A18209 [0,0,0,0,0,0|1,0,2]=3 23 B9R0.45 CCCCCCCCCO A12510 [0,0,0,0,0,0|0,0,2]=2 24 B9R0.45 CCCCCCCCCS L10988 [0,0,0,0,0,0|0,1,2]=3 25 B9R0.45 CCCCCCCCC[Zn+] H58604 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.45 CCCCCCCCNC L18639 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.45 CCCCCCCNCC H65107 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.45 CCCCCCOCCO B22385 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.45 CCCCCC\C=C/CO A18842 [0,0,0,0,0,0|2,0,0]=2 30 B9R0.45 CCCCCC\C=C\C=O A18108 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.45 CCCCC\C=C/CCO A17846 [0,0,0,0,0,0|0,0,4]=4 32 B9R0.45 CCCNCCNCCC L04671 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.45 CCOCCCCOCC B25607 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.45 CC\C=C/CCCCC=O L08260 [0,0,0,0,0,0|0,0,2]=2 35 B9R0.45 CC\C=C/CCCCCO L08387 [0,0,0,0,0,0|0,0,0]=0 36 B9R0.45 CC\C=C/CC\C=C\C=O A18356 [0,0,0,0,0,0|0,0,4]=4 37 B8R0.4 C(CCCN)CCCN L02853 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.4 C(CCCO)CCCBr H54762 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.4 C(CCCO)CCCO L06384 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.4 C=CCCCCCCBr H64830 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.4 CCCCC#CCCC B21349 [1,0,0,0,0,0|0,0,3]=4 42 B8R0.4 CCCCC#CCCO L05414 [1,0,0,0,0,0|0,0,3]=4 43 B8R0.4 CCCCCC#CCCl H53452 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.4 CCCCCC#CCO L05596 [1,0,0,0,0,0|0,0,3]=4 45 B8R0.4 CCCCCCC#CC B23620 [1,0,0,0,0,0|0,0,3]=4 46 B8R0.4 CCCCCCCC#C B24263 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.4 CCCCCCCC#N B23338 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.4 CCCCCCCC=O A10901 [1,0,0,0,0,0|0,0,3]=4 49 B8R0.4 CCCCCCCCBr A14722 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.4 CCCCCCCCC A16177 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.4 CCCCCCCCCl L04358 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.4 CCCCCCCCI B22214 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.4 CCCCCCCCN B24193 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.4 CCCCCCCCO A15977 [1,0,0,0,0,0|0,0,1]=2 55 B8R0.4 CCCCCCCCO H36188 [1,0,0,0,0,0|0,0,1]=2 56 B8R0.4 CCCCCCCCS L07195 [1,0,0,0,0,0|0,1,1]=3 57 B8R0.4 CCCCCCCC[Mg+] H51174 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.4 CCCCCCCC[O-] H37523 [1,0,0,0,0,0|0,0,2]=3 59 B8R0.4 CCCCCCCC[Zn+] H58444 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.4 CCCCCCCNC H65794 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.4 CCCCCCOC=O L06226 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.4 CCCCCSCCO B22772 [1,0,0,0,0,0|1,0,1]=3 63 B8R0.4 CCCCC\C=C\C=O A18830 [1,0,0,0,0,0|1,0,1]=3 64 B8R0.4 CCCCC\C=C\CO A15960 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.4 CCCCNCCCC A11671 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.4 CCCCOCCCC A16305 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.4 CCCCSCCCC L07599 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.4 CCCC[N-]CCCC L08269 [1,0,0,0,0,0|1,0,2]=4 69 B8R0.4 CCCC[NH2+]CCCC B20251 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.4 CCCC[Sn+2]CCCC 14116 [1,0,0,0,0,0|1,0,2]=4 71 B8R0.4 CCCC[Sn+2]CCCC 14117 [1,0,0,0,0,0|1,0,2]=4 72 B8R0.4 CCCC[Sn+2]CCCC 18595 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.4 CCCC[Sn+2]CCCC 39618 [1,0,0,0,0,0|1,0,2]=4 74 B8R0.4 CCCC[Sn+2]CCCC B23921 [1,0,0,0,0,0|1,0,2]=4 75 B8R0.4 CCCC[Sn+2]CCCC L14491 [1,0,0,0,0,0|1,0,2]=4 76 B8R0.4 CCCC\C=C/CCO A19014 [1,0,0,0,0,0|0,0,3]=4 77 B8R0.4 CCC\C=C\C=C\CO A16820 [1,0,0,0,0,0|1,0,2]=4 78 B8R0.4 CCOCCOCCBr L08522 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.4 CCOCCOCCO A14670 [1,0,0,0,0,0|2,0,0]=3 80 B8R0.4 CC\C=C/CCCCO A19454 [1,0,0,0,0,0|0,0,0]=1 81 B10R0.1 CCCCCCC(=O)OCC A14729 [0,1,0,0,0,0|2,0,0]=3 82 B10R0.1 CCCCCCC(CCC)O B20866 [0,1,0,0,0,0|1,0,2]=4 83 B10R0.1 CCOC(=O)CCCCCBr A18398 [0,1,0,0,0,0|2,0,0]=3 84 B10R0.1 CCOC(=O)CCCCCN H50296 [0,1,0,0,0,0|2,0,0]=3 85 B10R0.1 CCOC(=O)CCCCC[Zn+] H58304 [0,1,0,0,0,0|2,0,0]=3 86 B10R0.4 B(CCCCCCCC)(O)O L19964 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.4 B(\C=C\CCCCCC)(O)O H52634 [0,1,0,0,0,0|3,0,0]=4 88 B10R0.4 CCCCCCCCC(=O)O B21568 [0,1,0,0,0,0|0,0,3]=4 89 B10R0.4 CCCCCCCCC(C)O L05688 [0,1,0,0,0,0|0,0,2]=3 90 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [0,1,0,0,0,0|1,0,1]=3 91 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.71 C(CCCCBr)CCCCBr A14324 [0,1,0,0,0,0|1,0,2]=4 93 B10R0.71 C(CCCCCl)CCCCCl H64561 [0,1,0,0,0,0|1,0,2]=4 94 B10R0.71 C(CCCCN)CCCCN L02043 [0,1,0,0,0,0|1,0,2]=4 95 B10R0.71 C(CCCCO)CCCCBr H61393 [0,1,0,0,0,0|0,0,2]=3 96 B10R0.71 C(CCCCO)CCCCO L06336 [0,1,0,0,0,0|0,0,2]=3 97 B10R0.71 C(CCCCS)CCCCS L07172 [0,1,0,0,0,0|0,1,2]=4 98 B10R0.71 C=CCCCCCCCCO A19490 [0,1,0,0,0,0|0,0,3]=4 99 B10R0.71 CCC#CCCCCCCCl B21556 [0,1,0,0,0,0|1,0,2]=4 100 B10R0.71 CCCCC#CCCCCO H53400 [0,1,0,0,0,0|0,0,3]=4 101 B10R0.71 CCCCCCC#CCCO B20837 [0,1,0,0,0,0|0,0,3]=4 102 B10R0.71 CCCCCCCC#CCC B21753 [0,1,0,0,0,0|1,0,2]=4 103 B10R0.71 CCCCCCCC#CCO L05523 [0,1,0,0,0,0|0,0,3]=4 104 B10R0.71 CCCCCCCCCC#C L02883 [0,1,0,0,0,0|1,0,2]=4 105 B10R0.71 CCCCCCCCCC#N A18798 [0,1,0,0,0,0|1,0,2]=4 106 B10R0.71 CCCCCCCCCC=C H53387 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.71 CCCCCCCCCC=O A11656 [0,1,0,0,0,0|0,0,3]=4 108 B10R0.71 CCCCCCCCCCBr A11340 [0,1,0,0,0,0|1,0,2]=4 109 B10R0.71 CCCCCCCCCCC 31807 [0,1,0,0,0,0|1,0,2]=4 110 B10R0.71 CCCCCCCCCCI A16173 [0,1,0,0,0,0|1,0,2]=4 111 B10R0.71 CCCCCCCCCCO A17288 [0,1,0,0,0,0|0,0,2]=3 112 B10R0.71 CCCCCCCCCCS A15913 [0,1,0,0,0,0|0,1,2]=4 113 B10R0.71 CCCCCCCCCC[Zn+] H58155 [0,1,0,0,0,0|1,0,2]=4 114 B10R0.71 CCCCCCC\C=C\C=O L05901 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.71 CCCCCSCCCCC L04649 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.71 CCCCC\C=C/CCCO A18311 [0,1,0,0,0,0|0,0,3]=4 117 B10R0.71 CCCCC\C=C\C=C\CO A15989 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.71 CCCCOCCOCCO A16068 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.71 CCCC\C=C\CCCCO L11768 [0,1,0,0,0,0|0,0,2]=3 120 B10R0.74 CCCCCCCC(=O)CC B20909 [0,1,0,0,0,0|1,0,1]=3 121 B10R0.74 CCCCCCCC(=O)OC A10991 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.74 CCCCCCCC(CC)O B24141 [0,1,0,0,0,0|1,0,2]=4 123 B10R0.74 CCCCC\C=C\C(=O)OC A19612 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.74 COC(=O)CCCCCCBr H27234 [0,1,0,0,0,0|2,0,1]=4 125 B10R0.74 COC(=O)CCCCCCCl H27098 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.17 C1C=CCC(=C1)CCCO H31465 [0,0,0,1,0,0|0,0,2]=3 127 B10R1.17 C1CCC(CC1)NCCO L10821 [0,0,0,1,0,0|1,0,2]=4 128 B10R1.17 C1CN(CCN1)CCCO H50290 [0,0,0,1,0,0|2,0,1]=4 129 B10R1.17 C1COCCN1CCCO H60376 [0,0,0,1,0,0|2,0,1]=4 130 B10R1.17 CCCCC1CCCCC1 L08845 [0,0,0,1,0,0|1,0,2]=4 131 B10R1.85 C1CCCC(CC1)CCCl B21604 [0,0,0,1,0,0|1,0,2]=4 132 B10R1.85 C1CCCN(CC1)CCO L06497 [0,0,0,1,0,0|1,0,2]=4 133 B10R1.161 C1CCCC(CCC1)CO B20450 [0,0,0,1,0,0|0,0,2]=3 134 B7R0.1 C#CCCCCCO H61509 [2,0,0,0,0,0|0,0,2]=4 135 B7R0.1 C(CCCBr)CCBr A13417 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 C(CCCBr)CCCl B21619 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.1 C(CCCBr)CCO B21803 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.1 C(CCCCl)CCCl B21763 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.1 C(CCCCl)CCO A14582 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.1 C(CCCI)CCCl L05198 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.1 C(CCCI)CCI A15368 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.1 C(CCCN)CCN A14212 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 C(CCCO)CCN L14157 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.1 C(CCCO)CCO A12439 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.1 C(CCCS)CCS L06686 [2,0,0,0,0,0|1,1,0]=4 146 B7R0.1 C(CCC[Zn+])CCCl H58330 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.1 C=CCCCCC#N L13137 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.1 C=CCCCCC=C L07659 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.1 C=CCCCCCBr H64127 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.1 CCCC#CCCO B20884 [2,0,0,0,0,0|0,0,2]=4 151 B7R0.1 CCCCC#CCO A14959 [2,0,0,0,0,0|0,0,2]=4 152 B7R0.1 CCCCCC#CC A10197 [2,0,0,0,0,0|0,0,2]=4 153 B7R0.1 CCCCCCC#C A12440 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.1 CCCCCCC#N A12326 [2,0,0,0,0,0|1,0,1]=4 155 B7R0.1 CCCCCCC=C A11146 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.1 CCCCCCC=O B23830 [2,0,0,0,0,0|0,0,2]=4 157 B7R0.1 CCCCCCCBr A14031 [2,0,0,0,0,0|1,0,0]=3 158 B7R0.1 CCCCCCCC A13181 [2,0,0,0,0,0|0,0,1]=3 159 B7R0.1 CCCCCCCI B24206 [2,0,0,0,0,0|1,0,0]=3 160 B7R0.1 CCCCCCCN A17922 [2,0,0,0,0,0|1,0,0]=3 161 B7R0.1 CCCCCCCO A12793 [2,0,0,0,0,0|0,0,0]=2 162 B7R0.1 CCCCCCCS L07079 [2,0,0,0,0,0|0,1,0]=3 163 B7R0.1 CCCCCCC[Mg+] H51173 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.1 CCCCCCC[Zn+] H58840 [2,0,0,0,0,0|1,0,0]=3 165 B7R0.1 CCCCCCOC A17207 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.1 CCCCC\C=C\C L03862 [2,0,0,0,0,0|0,0,0]=2 167 B7R0.1 CCCCC\C=C\C L12606 [2,0,0,0,0,0|0,0,0]=2 168 B7R0.1 CCCCNCCN L13437 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.1 CCCCOCC=C H53408 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.1 CCCCOCCO A17976 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.1 CCCC\C=C\CC 43154 [2,0,0,0,0,0|0,0,0]=2 172 B7R0.1 CCCC\C=C\CO A11750 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.1 CCC\C=C/CCC 43156 [2,0,0,0,0,0|0,0,2]=4 174 B7R0.1 CCC\C=C/CCO A19172 [2,0,0,0,0,0|0,0,2]=4 175 B7R0.1 CCC\C=C\CCC 43155 [2,0,0,0,0,0|0,0,2]=4 176 B7R0.1 CCNCCNCC A17113 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.1 CCOCCOCC L14283 [2,0,0,0,0,0|2,0,0]=4 178 B7R0.1 CC\C=C/CCCO A16596 [2,0,0,0,0,0|0,0,0]=2 179 B7R0.1 CC\C=C\C=C\CO 15765 [2,0,0,0,0,0|0,0,2]=4 180 B7R0.1 COCCOCCO A16063 [2,0,0,0,0,0|2,0,0]=4 181 B9R0.2 B(\C=C\CCCCC)(O)O H52590 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.2 CC(=O)OCCCCCBr A15549 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.2 CC(=O)OCCCCCCl A11111 [1,1,0,0,0,0|2,0,0]=4 184 B9R0.2 CCCCCCCC(=O)C A11781 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.2 CCCCCCCC(=O)O A11149 [1,1,0,0,0,0|0,0,2]=4 186 B9R0.2 CCCCCCCC(C)Br L07387 [1,1,0,0,0,0|0,0,2]=4 187 B9R0.2 CCCCCCCC(C)C B20849 [1,1,0,0,0,0|0,0,2]=4 188 B9R0.2 CCCCCCCC(C)O L06310 [1,1,0,0,0,0|0,0,1]=3 189 B9R0.2 CCCCCCC[C@@H](C)N L19310 [1,1,0,0,0,0|0,0,2]=4 190 B9R0.2 CCCCCCC[C@H](C)N L19311 [1,1,0,0,0,0|0,0,2]=4 191 B9R0.2 CCCCCCOC(=O)C L06342 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.2 CCCCC\C=C\C(=O)C A19084 [1,1,0,0,0,0|0,0,1]=3 193 B9R0.2 CCCCC\C=C\C(=O)O L02058 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.2 CC\C=C/CCOC(=O)C A19380 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.5 CCCCCC(=O)CCC A15050 [1,1,0,0,0,0|0,0,1]=3 196 B9R0.5 CCCCCC(=O)OCC A13985 [1,1,0,0,0,0|1,0,0]=3 197 B9R0.5 CCCCCC(CCC)O A19496 [1,1,0,0,0,0|0,0,2]=4 198 B9R0.5 CCCCOC(=O)CCC B24390 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.5 CCOC(=O)CCCCBr A11952 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.5 CCOC(=O)CCCCN H51682 [1,1,0,0,0,0|2,0,0]=4 201 B9R0.5 CCOC(=O)CCCC[Zn+] H58248 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.5 CCOCCC(=O)OCC B24024 [1,1,0,0,0,0|2,0,0]=4 203 B9R0.5 CC\C=C\CC(=O)OCC A19734 [1,1,0,0,0,0|1,0,1]=4 204 B9R0.18 CCCCC(CCCC)O L05812 [1,1,0,0,0,0|0,0,2]=4 205 B9R0.46 C=CC(=O)OCCCCO L11097 [1,1,0,0,0,0|1,0,1]=4 206 B9R0.46 CCCCCCC(=O)CC A19878 [1,1,0,0,0,0|0,0,1]=3 207 B9R0.46 CCCCCCC(CC)O A19120 [1,1,0,0,0,0|0,0,2]=4 208 B9R0.46 CCCCCCC(CO)O L08031 [1,1,0,0,0,0|0,0,1]=3 209 B11R0.4 CCCCCCCC(=O)CCC B20135 [0,2,0,0,0,0|1,0,1]=4 210 B11R0.4 CCCCCCCC(=O)OCC B23450 [0,2,0,0,0,0|1,0,1]=4 211 B11R0.4 CCCCC\C=C\C(=O)OCC A14919 [0,2,0,0,0,0|1,0,1]=4 212 B11R0.4 CCOC(=O)CCCCCCBr H28001 [0,2,0,0,0,0|1,0,1]=4 213 B11R0.81 CCCCCCC(=O)CCCC B20336 [0,2,0,0,0,0|1,0,1]=4 214 B11R0.155 CCOC(=O)[C@H](CCCCN)N A16824 [0,2,0,0,0,0|2,0,0]=4 215 B11R0.176 CCOC(=O)CCCCC(=O)O B24006 [0,2,0,0,0,0|1,0,1]=4 216 B11R0.40 CCCCCCCCC(=O)CC B21007 [0,2,0,0,0,0|1,0,1]=4 217 B11R0.148 CCCCCCCCCC(=O)O A14788 [0,2,0,0,0,0|0,0,2]=4 218 B11R0.148 CCCCCCCCCC(C)O A14441 [0,2,0,0,0,0|0,0,2]=4 219 B11R0.3 C#CCCCCCCCCCO L11807 [0,2,0,0,0,0|0,0,2]=4 220 B11R0.3 C(CCCCCBr)CCCCO B21483 [0,2,0,0,0,0|0,0,2]=4 221 B11R0.3 C(CCCCCO)CCCCO A13923 [0,2,0,0,0,0|0,0,2]=4 222 B11R0.3 C=CCCCCCCCCCO A14002 [0,2,0,0,0,0|0,0,2]=4 223 B11R0.3 CCCCCCCCCCCO A17817 [0,2,0,0,0,0|0,0,2]=4 224 B11R0.3 CCCCCCCC\C=C\CO A19698 [0,2,0,0,0,0|0,0,2]=4 225 B11R0.3 CC\C=C\CCCCCCC=O A17561 [0,2,0,0,0,0|0,0,1]=3 226 B9R1.8 C1CCC(CC1)CCBr L09466 [1,0,0,1,0,0|1,0,1]=4 227 B9R1.8 C1CCC(CC1)CCN H27987 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.8 C1CCC(CC1)CCN H35368 [1,0,0,1,0,0|1,0,1]=4 229 B9R1.8 C1CCC(CC1)CCO B20782 [1,0,0,1,0,0|0,0,1]=3 230 B9R1.8 C1CCC(CC1)CC[Zn+] H58193 [1,0,0,1,0,0|1,0,1]=4 231 B9R1.8 C1CCN(CC1)CCO B23816 [1,0,0,1,0,0|1,0,1]=4 232 B9R1.8 C1CN(CCN1)CCO A17215 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.8 C1COCCN1CCO B22759 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.8 CCCC1CCNCC1 H25848 [1,0,0,1,0,0|1,0,1]=4 235 B9R1.8 CCNC1CCCCC1 L14221 [1,0,0,1,0,0|1,0,1]=4 236 B9R1.12 CCCCC1=CC=CC1 H27576 [1,0,0,1,0,0|0,0,2]=4 237 B9R1.12 CCCCC1=CCC=C1 A16719 [1,0,0,1,0,0|0,0,2]=4 238 B9R1.14 CCN1CCC[C@@H]1CN H57638 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.14 CCN1CCC[C@H]1CN H57137 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.15 CN1CCCCC1CO B22187 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.15 CO[C@H]1CCCC[C@@H]1O L19065 [1,0,0,1,0,0|1,0,1]=4 242 B9R1.50 C1CCCC(CCC1)Br B24839 [1,0,0,1,0,0|1,0,1]=4 243 B9R1.50 C1CCCC(CCC1)N L00981 [1,0,0,1,0,0|1,0,1]=4 244 B9R1.50 C1CCCC(CCC1)O A17825 [1,0,0,1,0,0|0,0,1]=3 245 B9R1.83 C=CCCCCC1CO1 L07033 [1,0,0,1,0,0|0,0,2]=4 246 B9R1.83 CCCCCCC1CO1 B21463 [1,0,0,1,0,0|0,0,1]=3 247 B9R1.83 CCCCOCC1CO1 L16201 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.89 C1CCCC(CC1)CN L14659 [1,0,0,1,0,0|1,0,1]=4 249 B11R1.16 CCOC(=O)C1CCCCC1 L02622 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.16 CCOC(=O)C1CCCCN1 L10532 [0,1,0,1,0,0|2,0,0]=4 251 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O H59308 [0,1,0,1,0,0|1,0,0]=3 252 B11R1.99 CCCCCCCCC1CO1 L07289 [0,1,0,1,0,0|0,0,2]=4 253 B11R1.28 C1C=CCC(=C1)CCCCO H36058 [0,1,0,1,0,0|0,0,1]=3 254 B11R2.238 C1CNCCC1CC2CO2 H35334 [0,0,0,2,0,0|1,0,1]=4