0 B7R0.1 C#CCCCCC#C A15829 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 C#CCCCCCO H61509 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C(CCC#N)CC#N 43679 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C(CCC#N)CC#N B23122 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C(CCC#N)CCBr A10400 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 C(CCC#N)CCN H27804 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 C(CCC#N)CC[Zn+] H58480 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 C(CCCBr)CCBr A13417 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 C(CCCBr)CCCl B21619 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 C(CCCBr)CCO B21803 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.1 C(CCCCl)CCCl B21763 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 C(CCCCl)CCO A14582 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.1 C(CCCI)CCCl L05198 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 C(CCCI)CCI A15368 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 C(CCCN)CCN A14212 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 C(CCCO)CCN L14157 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.1 C(CCCO)CCO A12439 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.1 C(CCCS)CCS L06686 [0,0,0,0,0,0|1,1,1]=3 18 B7R0.1 C(CCC[Zn+])CCCl H58330 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 C(CN)CNCCBr H60309 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C(CN)CNCCN A19108 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 C=CCCCCC#N L13137 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.1 C=CCCCCC=C L07659 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.1 C=CCCCCCBr H64127 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.1 CCCC#CCCC 43157 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.1 CCCC#CCCO B20884 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.1 CCCCC#CCO A14959 [0,0,0,0,0,0|0,0,4]=4 27 B7R0.1 CCCCCC#CC A10197 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.1 CCCCCCC#C A12440 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.1 CCCCCCC#N A12326 [0,0,0,0,0,0|1,0,1]=2 30 B7R0.1 CCCCCCC=C A11146 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.1 CCCCCCC=O B23830 [0,0,0,0,0,0|0,0,0]=0 32 B7R0.1 CCCCCCCBr A14031 [0,0,0,0,0,0|1,0,1]=2 33 B7R0.1 CCCCCCCC A13181 [0,0,0,0,0,0|1,0,1]=2 34 B7R0.1 CCCCCCCI B24206 [0,0,0,0,0,0|1,0,1]=2 35 B7R0.1 CCCCCCCN A17922 [0,0,0,0,0,0|1,0,1]=2 36 B7R0.1 CCCCCCCO A12793 [0,0,0,0,0,0|0,0,2]=2 37 B7R0.1 CCCCCCCS L07079 [0,0,0,0,0,0|0,1,1]=2 38 B7R0.1 CCCCCCC[Mg+] H51173 [0,0,0,0,0,0|1,0,1]=2 39 B7R0.1 CCCCCCC[Zn+] H58840 [0,0,0,0,0,0|1,0,1]=2 40 B7R0.1 CCCCCCOC A17207 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.1 CCCCCN=C=O L13399 [0,0,0,0,0,0|1,0,1]=2 42 B7R0.1 CCCCCN=C=S A14972 [0,0,0,0,0,0|1,1,1]=3 43 B7R0.1 CCCCC\C=C\C L03862 [0,0,0,0,0,0|1,0,1]=2 44 B7R0.1 CCCCC\C=C\C L12606 [0,0,0,0,0,0|1,0,1]=2 45 B7R0.1 CCCCNCCN L13437 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.1 CCCCOCC=C H53408 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.1 CCCCOCCO A17976 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.1 CCCCSN#CC B22336 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.1 CCCC\C=C\CC 43154 [0,0,0,0,0,0|1,0,3]=4 50 B7R0.1 CCCC\C=C\CO A11750 [0,0,0,0,0,0|0,0,4]=4 51 B7R0.1 CCCSSCCC L09881 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.1 CCC\C=C/CCC 43156 [0,0,0,0,0,0|1,0,3]=4 53 B7R0.1 CCC\C=C/CCO A19172 [0,0,0,0,0,0|0,0,4]=4 54 B7R0.1 CCC\C=C\CCC 43155 [0,0,0,0,0,0|1,0,3]=4 55 B7R0.1 CCNCCNCC A17113 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.1 CCOCCOCC L14283 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 CC\C=C/CCCO A16596 [0,0,0,0,0,0|0,0,4]=4 58 B7R0.1 COCCCN=C=S A15216 [0,0,0,0,0,0|2,1,1]=4 59 B7R0.1 COCCOCCBr L05406 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 COCCOCCO A16063 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.1 CSCCCN=C=S B22150 [0,0,0,0,0,0|2,1,1]=4 62 B6R0.6 C#CCCCCCl H53476 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.6 C#CCCCCO 43370 [1,0,0,0,0,0|0,0,3]=4 64 B6R0.6 C(CBr)OCCBr L11510 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 C(CC=O)CC=O A10500 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.6 C(CC=O)CC=O A17876 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.6 C(CCBr)CC#N L03952 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.6 C(CCBr)CCBr A18465 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.6 C(CCCl)CC#N L01413 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.6 C(CCCl)CCBr B20479 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.6 C(CCCl)CCCl A12433 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.6 C(CCCl)CCI L04469 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.6 C(CCCl)CC[Zn+] H58957 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.6 C(CCF)CCBr H64806 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.6 C(CCI)CCI A17298 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.6 C(CCN)CCN B23039 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.6 C(CCN)CCO H33954 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.6 C(CCN)CCO L01979 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.6 C(CCO)CCCl L12088 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.6 C(CCO)CCO A13998 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.6 C(CCS)CCS B25665 [1,0,0,0,0,0|1,1,0]=3 82 B6R0.6 C(CC[Zn+])CC#N H58897 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.6 C(CCl)NCCCl A13118 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.6 C(CCl)OCCCl A14234 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.6 C(CN=C=O)CCl L15993 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 C(CNCCN)N A11033 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.6 C(CNCCO)N A10833 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.6 C(CO)NCCO A13389 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 C(COCCCl)O A13074 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.6 C(COCCN)N 46833 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.6 C(COCCN)N 46903 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.6 C(COCCN)N 46973 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.6 C(COCCO)N L18897 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.6 C(COCCO)O A14728 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.6 C(CSCCS)S B22304 [1,0,0,0,0,0|2,1,0]=4 96 B6R0.6 C=CCCCC#N L10968 [1,0,0,0,0,0|1,0,2]=4 97 B6R0.6 C=CCCCCBr L12909 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.6 C=CCCCCCl H53396 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.6 C=CCCCCO A15766 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.6 C=CCCCC[Zn+] H58622 [1,0,0,0,0,0|1,0,1]=3 101 B6R0.6 CCCC#CCC H53504 [1,0,0,0,0,0|0,0,3]=4 102 B6R0.6 CCCC#CCO A13339 [1,0,0,0,0,0|0,0,3]=4 103 B6R0.6 CCCCC#CC B21528 [1,0,0,0,0,0|0,0,3]=4 104 B6R0.6 CCCCCC#C A11130 [1,0,0,0,0,0|0,0,2]=3 105 B6R0.6 CCCCCC=C L11487 [1,0,0,0,0,0|0,0,1]=2 106 B6R0.6 CCCCCC=O A16265 [1,0,0,0,0,0|0,0,0]=1 107 B6R0.6 CCCCCCBr A15166 [1,0,0,0,0,0|1,0,0]=2 108 B6R0.6 CCCCCCC 22911 [1,0,0,0,0,0|0,0,1]=2 109 B6R0.6 CCCCCCC 32441 [1,0,0,0,0,0|0,0,1]=2 110 B6R0.6 CCCCCCC 40978 [1,0,0,0,0,0|0,0,1]=2 111 B6R0.6 CCCCCCC 44457 [1,0,0,0,0,0|0,0,1]=2 112 B6R0.6 CCCCCCC 47191 [1,0,0,0,0,0|0,0,1]=2 113 B6R0.6 CCCCCCC A19894 [1,0,0,0,0,0|0,0,1]=2 114 B6R0.6 CCCCCCC H33987 [1,0,0,0,0,0|0,0,1]=2 115 B6R0.6 CCCCCCCl B22379 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.6 CCCCCCI A13784 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.6 CCCCCCN A15663 [1,0,0,0,0,0|1,0,0]=2 118 B6R0.6 CCCCCCO A18232 [1,0,0,0,0,0|0,0,1]=2 119 B6R0.6 CCCCCCS L09659 [1,0,0,0,0,0|0,1,0]=2 120 B6R0.6 CCCCCC[Mg+] H51167 [1,0,0,0,0,0|1,0,0]=2 121 B6R0.6 CCCCCC[Zn+] H58384 [1,0,0,0,0,0|1,0,0]=2 122 B6R0.6 CCCCCNC L04882 [1,0,0,0,0,0|1,0,1]=3 123 B6R0.6 CCCCN=C=O L05664 [1,0,0,0,0,0|1,0,1]=3 124 B6R0.6 CCCCN=C=S A10935 [1,0,0,0,0,0|1,1,1]=4 125 B6R0.6 CCCCNCC B22881 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.6 CCCCOC=C B23673 [1,0,0,0,0,0|1,0,1]=3 127 B6R0.6 CCCCOC=O A13882 [1,0,0,0,0,0|1,0,0]=2 128 B6R0.6 CCCCOCC A17963 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.6 CCCCON=O H56501 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.6 CCCNCCC L15808 [1,0,0,0,0,0|1,0,1]=3 131 B6R0.6 CCCNCCN L03517 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.6 CCCOCCC B21423 [1,0,0,0,0,0|1,0,1]=3 133 B6R0.6 CCCSCCC B23155 [1,0,0,0,0,0|1,0,1]=3 134 B6R0.6 CCCSCCO L12528 [1,0,0,0,0,0|1,0,1]=3 135 B6R0.6 CCC\C=C/CO A13734 [1,0,0,0,0,0|0,0,3]=4 136 B6R0.6 CCC\C=C\C=O A11513 [1,0,0,0,0,0|0,0,2]=3 137 B6R0.6 CCC\C=C\CC B25297 [1,0,0,0,0,0|0,0,3]=4 138 B6R0.6 CCC\C=C\CC H53482 [1,0,0,0,0,0|0,0,3]=4 139 B6R0.6 CCC\C=C\CO A13272 [1,0,0,0,0,0|0,0,3]=4 140 B6R0.6 CCOCCC#N A14243 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.6 CCOCCCN B23694 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.6 CCOCCOC B20819 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.6 CCOCOCC B23134 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.6 CCSCCCO B22710 [1,0,0,0,0,0|1,0,1]=3 145 B6R0.6 CC\C=C/CCO A10313 [1,0,0,0,0,0|0,0,3]=4 146 B6R0.6 CC\C=C\CCO L10541 [1,0,0,0,0,0|0,0,3]=4 147 B6R0.6 CNCCCNC A16901 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.6 COCCCCO H50339 [1,0,0,0,0,0|1,0,1]=3 149 B6R0.6 COCCOCCl L01050 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.6 CSCCCCO B22673 [1,0,0,0,0,0|1,0,1]=3 151 B6R0.6 CSCCCSC B22397 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.6 C\C=C/CCCO A19266 [1,0,0,0,0,0|0,0,3]=4 153 B6R0.6 C\C=C\CCCO H54459 [1,0,0,0,0,0|0,0,3]=4 154 B6R0.6 [Li]CCCCCC 47271 [1,0,0,0,0,0|1,0,0]=2 155 B6R0.6 [Li]CCCCCC L15102 [1,0,0,0,0,0|1,0,0]=2 156 B8R0.1 CCCCC(=O)\C=C\C B22250 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.1 CCCCC(CC=C)O B20707 [0,1,0,0,0,0|1,0,0]=2 158 B8R0.1 CCCCN(C)CCO H50337 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.1 CCCC[C@@H](C)N=C=O L20234 [0,1,0,0,0,0|1,0,1]=3 160 B8R0.1 CCCC[C@@H](C)N=C=S L20066 [0,1,0,0,0,0|1,1,1]=4 161 B8R0.1 CCCC[C@H](C)N=C=O L20235 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.1 CCCC[C@H](C)N=C=S L20067 [0,1,0,0,0,0|1,1,1]=4 163 B8R0.1 CCOC(=O)CCC=C A12422 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.1 CCOC(=O)CNC=O L10437 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.4 C#CCCCCCC#C B23784 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.4 C(CCCBr)CCC#N L05068 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.4 C(CCCCl)CCC#N L03997 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.4 C(CCCN)CCCN L02853 [0,1,0,0,0,0|1,0,1]=3 169 B8R0.4 C(CCCO)CCCBr H54762 [0,1,0,0,0,0|0,0,2]=3 170 B8R0.4 C(CCCO)CCCO L06384 [0,1,0,0,0,0|0,0,2]=3 171 B8R0.4 C(CCC[Zn+])CCC#N H58022 [0,1,0,0,0,0|1,0,1]=3 172 B8R0.4 C=CCCCCCC=C H53502 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.4 C=CCCCCCCBr H64830 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.4 CCCCC#CCCC B21349 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.4 CCCCC#CCCO L05414 [0,1,0,0,0,0|0,0,3]=4 176 B8R0.4 CCCCCC#CCCl H53452 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.4 CCCCCC#CCO L05596 [0,1,0,0,0,0|0,0,3]=4 178 B8R0.4 CCCCCCC#CC B23620 [0,1,0,0,0,0|1,0,1]=3 179 B8R0.4 CCCCCCCC#C B24263 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.4 CCCCCCCC#N B23338 [0,1,0,0,0,0|1,0,1]=3 181 B8R0.4 CCCCCCCC=O A10901 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.4 CCCCCCCCBr A14722 [0,1,0,0,0,0|1,0,1]=3 183 B8R0.4 CCCCCCCCC A16177 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.4 CCCCCCCCCl L04358 [0,1,0,0,0,0|1,0,1]=3 185 B8R0.4 CCCCCCCCI B22214 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.4 CCCCCCCCN B24193 [0,1,0,0,0,0|1,0,1]=3 187 B8R0.4 CCCCCCCCO A15977 [0,1,0,0,0,0|0,0,2]=3 188 B8R0.4 CCCCCCCCO H36188 [0,1,0,0,0,0|0,0,2]=3 189 B8R0.4 CCCCCCCCS L07195 [0,1,0,0,0,0|0,1,1]=3 190 B8R0.4 CCCCCCCC[Mg+] H51174 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.4 CCCCCCCC[O-] H37523 [0,1,0,0,0,0|0,0,2]=3 192 B8R0.4 CCCCCCCC[Zn+] H58444 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.4 CCCCCCCNC H65794 [0,1,0,0,0,0|1,0,1]=3 194 B8R0.4 CCCCCCN=C=S A12223 [0,1,0,0,0,0|0,1,1]=3 195 B8R0.4 CCCCCCOC=O L06226 [0,1,0,0,0,0|0,0,0]=1 196 B8R0.4 CCCCCSCCO B22772 [0,1,0,0,0,0|0,0,2]=3 197 B8R0.4 CCCCC\C=C\C=O A18830 [0,1,0,0,0,0|0,0,1]=2 198 B8R0.4 CCCCC\C=C\CO A15960 [0,1,0,0,0,0|0,0,2]=3 199 B8R0.4 CCCCNCCCC A11671 [0,1,0,0,0,0|1,0,1]=3 200 B8R0.4 CCCCOCCC#N L11342 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.4 CCCCOCCCC A16305 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.4 CCCCSCCCC L07599 [0,1,0,0,0,0|1,0,1]=3 203 B8R0.4 CCCC[N-]CCCC L08269 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.4 CCCC[NH2+]CCCC B20251 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.4 CCCC[Sn+2]CCCC 14116 [0,1,0,0,0,0|1,0,1]=3 206 B8R0.4 CCCC[Sn+2]CCCC 14117 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.4 CCCC[Sn+2]CCCC 18595 [0,1,0,0,0,0|1,0,1]=3 208 B8R0.4 CCCC[Sn+2]CCCC 39618 [0,1,0,0,0,0|1,0,1]=3 209 B8R0.4 CCCC[Sn+2]CCCC B23921 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.4 CCCC[Sn+2]CCCC L14491 [0,1,0,0,0,0|1,0,1]=3 211 B8R0.4 CCCC\C=C/CCO A19014 [0,1,0,0,0,0|0,0,3]=4 212 B8R0.4 CCOCCOCCBr L08522 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.4 CCOCCOCCO A14670 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.4 CC\C=C/CCCCO A19454 [0,1,0,0,0,0|0,0,3]=4 215 B8R0.4 COCCOCCOC A13397 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.6 C(CCO)CC(CO)O L06032 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.6 CCCCCC(=O)C=C L07189 [0,1,0,0,0,0|1,0,1]=3 218 B8R0.6 CCCCCC(=O)CC A12113 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.6 CCCCCC(=O)OC A10757 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.6 CCCCCC(C#C)O A13267 [0,1,0,0,0,0|1,0,1]=3 221 B8R0.6 CCCCCC(C=C)O A12079 [0,1,0,0,0,0|1,0,0]=2 222 B8R0.6 CCCCCC(CC)O A14488 [0,1,0,0,0,0|1,0,1]=3 223 B8R0.6 CCCCC[C@@H](C#C)O L19046 [0,1,0,0,0,0|1,0,1]=3 224 B8R0.6 CCCCC[C@H](C#C)O L19045 [0,1,0,0,0,0|1,0,1]=3 225 B8R0.6 CCCCC[C@H](CC)O H66963 [0,1,0,0,0,0|1,0,1]=3 226 B8R0.6 CCCCOC(=O)C=C L03476 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.7 B(CCCCCC)(O)O B22446 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.7 C#CCCCCC(=O)O H53519 [0,1,0,0,0,0|0,0,2]=3 229 B8R0.7 C(CCC(=O)Cl)CCBr A11063 [0,1,0,0,0,0|1,0,0]=2 230 B8R0.7 C(CCC(=O)Cl)CCCl L11111 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.7 C(CCC(=O)O)CCBr A15761 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.7 C(CCC(=O)O)CCN A14719 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.7 C(CCC(=O)O)CCO B24857 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.7 C(CCNC(=N)N)CN H55363 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.7 C(CNCC(=O)O)C#N A18199 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.7 C=CCCCCC(=O)O L13144 [0,1,0,0,0,0|0,0,2]=3 237 B8R0.7 CC(=O)OCCCC=C B20258 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.7 CC(=O)OCCCCBr A15632 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.7 CC(=O)OCCCCCl B22582 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.7 CC(=O)OCCCCI H31826 [0,1,0,0,0,0|2,0,0]=3 241 B8R0.7 CC(C)CCCCCN B24746 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.7 CCCCCCC(=O)C A11643 [0,1,0,0,0,0|0,0,0]=1 243 B8R0.7 CCCCCCC(=O)Cl L03315 [0,1,0,0,0,0|0,0,0]=1 244 B8R0.7 CCCCCCC(=O)O A17704 [0,1,0,0,0,0|0,0,0]=1 245 B8R0.7 CCCCCCC(C)O A16985 [0,1,0,0,0,0|0,0,2]=3 246 B8R0.7 CCCCCCN(C)C A17364 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.7 CCCCCC[C@@H](C)N L19308 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.7 CCCCCC[C@@H](C)O L11502 [0,1,0,0,0,0|0,0,2]=3 249 B8R0.7 CCCCCC[C@H](C)N L19309 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.7 CCCCCC[C@H](C)O L12425 [0,1,0,0,0,0|0,0,2]=3 251 B8R0.7 CCCCCOC(=O)C L10852 [0,1,0,0,0,0|1,0,0]=2 252 B8R0.7 CCCCOCC(=O)O H50210 [0,1,0,0,0,0|1,0,0]=2 253 B8R0.7 CCCC\C=C\C(=O)C A14652 [0,1,0,0,0,0|0,0,2]=3 254 B8R0.7 CCOCCOC(=O)C A13639 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.7 COCCOCC(=O)Cl L18423 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.7 COCCOCC(=O)O L20090 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.2 C#CC1CCCCC1 H53418 [0,0,0,1,0,0|1,0,1]=3 258 B8R1.2 C1CC(CC=C1)C=O L04894 [0,0,0,1,0,0|0,0,2]=3 259 B8R1.2 C1CC(CNC1)CO L04264 [0,0,0,1,0,0|1,0,2]=4 260 B8R1.2 C1CC(OC=C1)CO H56124 [0,0,0,1,0,0|1,0,2]=4 261 B8R1.2 C1CCC(=NO)CC1 A19820 [0,0,0,1,0,0|1,0,2]=4 262 B8R1.2 C1CCC(CC1)C=O B23837 [0,0,0,1,0,0|0,0,0]=1 263 B8R1.2 C1CCC(CC1)CBr L11343 [0,0,0,1,0,0|1,0,1]=3 264 B8R1.2 C1CCC(CC1)CN L06501 [0,0,0,1,0,0|1,0,1]=3 265 B8R1.2 C1CCC(CC1)CO L06538 [0,0,0,1,0,0|0,0,2]=3 266 B8R1.2 C1CCC(CC1)C[Zn+] H58186 [0,0,0,1,0,0|1,0,1]=3 267 B8R1.2 C1CCC(CC1)NO L03569 [0,0,0,1,0,0|1,0,1]=3 268 B8R1.2 C1CCN(CC1)C=O B23452 [0,0,0,1,0,0|1,0,0]=2 269 B8R1.2 C1CCNC(C1)CN L20122 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.2 C1CCNC(C1)CO H60178 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.2 C1CCOC(C1)CCl L07725 [0,0,0,1,0,0|1,0,2]=4 272 B8R1.2 C1CCOC(C1)CO L17417 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.2 C1CN(CCN1)C=O A14757 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.2 C1CNCCC1C#N H27722 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.2 C1CNCCC1CN L11577 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.2 C1CNCCC1CO L17964 [0,0,0,1,0,0|1,0,2]=4 277 B8R1.2 C1COCCC1CO H64568 [0,0,0,1,0,0|1,0,2]=4 278 B8R1.2 C1COCCN1C=O B23315 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.2 C=CC1CCCCC1 L10756 [0,0,0,1,0,0|1,0,0]=2 280 B8R1.2 CCN1CCCCC1 A16294 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.2 CNC1CCCCC1 L13872 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.2 COC1CCC=CO1 B24609 [0,0,0,1,0,0|1,0,2]=4 283 B8R1.2 COC1CCCNC1 H51138 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.2 CSC1CCCCC1 L03712 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.5 C1CCC(=O)C(=O)C1 A14401 [0,0,0,1,0,0|1,0,1]=3 286 B8R1.5 C1CCC(=O)C(C1)Cl A18613 [0,0,0,1,0,0|1,0,0]=2 287 B8R1.5 C1CCC(=O)C(C1)F H26032 [0,0,0,1,0,0|1,0,0]=2 288 B8R1.5 C1CCC(C(C1)N)N B24657 [0,0,0,1,0,0|2,0,1]=4 289 B8R1.5 C1CCC(C(C1)O)O A18572 [0,0,0,1,0,0|1,0,2]=4 290 B8R1.5 C1CC[C@@H]([C@H](C1)N)N L14072 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br H53456 [0,0,0,1,0,0|2,0,1]=4 292 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L06626 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L14059 [0,0,0,1,0,0|2,0,1]=4 294 B8R1.5 C1CC[C@H]([C@@H](C1)N)O B22324 [0,0,0,1,0,0|1,0,2]=4 295 B8R1.5 C1CC[C@H]([C@@H](C1)O)F H26031 [0,0,0,1,0,0|1,0,2]=4 296 B8R1.5 C1CC[C@H]([C@@H](C1)O)O L07088 [0,0,0,1,0,0|1,0,2]=4 297 B8R1.5 C1COCC(C1=O)Br H66595 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.5 CC1CCCCC1=O A14741 [0,0,0,1,0,0|0,0,0]=1 299 B8R1.5 CC1CCCCC1N L02285 [0,0,0,1,0,0|1,0,1]=3 300 B8R1.5 CC1CCCCC1O A12877 [0,0,0,1,0,0|0,0,2]=3 301 B8R1.5 C[C@@H]1CCCC[C@@H]1C 31467 [0,0,0,1,0,0|1,0,1]=3 302 B8R1.8 C#CCC1CCCC1 L11514 [0,0,0,1,0,0|1,0,1]=3 303 B8R1.8 C1CCC(C1)CCO B22344 [0,0,0,1,0,0|0,0,2]=3 304 B8R1.8 C1CCC(C1)N=C=S A11745 [0,0,0,1,0,0|1,1,1]=4 305 B8R1.8 C1CCC(C1)SC#N H32230 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.8 C1CCN(C1)CC#N L01737 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.8 C1CCN(C1)CCCl B22236 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.8 C1CCN(C1)CCN B24645 [0,0,0,1,0,0|2,0,1]=4 309 B8R1.8 C1CCN(C1)CCO H60368 [0,0,0,1,0,0|1,0,2]=4 310 B8R1.8 C=CCC1CCCC1 B20228 [0,0,0,1,0,0|1,0,0]=2 311 B8R1.8 COC[C@@H]1CCCN1 L09608 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.8 COC[C@H]1CCCN1 L19492 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.11 CCN1CCCC1=O B24548 [0,0,0,1,0,0|1,0,0]=2 314 B8R1.11 CN1CCC[C@H]1CO H62573 [0,0,0,1,0,0|1,0,2]=4 315 B8R1.22 C1CC(=O)CCNC1 H66355 [0,0,0,1,0,0|1,0,0]=2 316 B8R1.22 C1CCC(=O)NCC1 L06999 [0,0,0,1,0,0|1,0,0]=2 317 B8R1.22 C1CCC(=O)OCC1 A10299 [0,0,0,1,0,0|1,0,0]=2 318 B8R1.22 C1CCC(=O)[N-]CC1 44686 [0,0,0,1,0,0|1,0,0]=2 319 B8R1.22 C1CCCC(=O)CC1 A13421 [0,0,0,1,0,0|0,0,0]=1 320 B8R1.22 C1CCCC(CC1)Br B23110 [0,0,0,1,0,0|1,0,1]=3 321 B8R1.22 C1CCCC(CC1)N L01699 [0,0,0,1,0,0|1,0,1]=3 322 B8R1.22 C1CNCCNC1=O H26990 [0,0,0,1,0,0|2,0,0]=3 323 B8R1.22 C1COCCNC1=O B22406 [0,0,0,1,0,0|2,0,0]=3 324 B8R1.22 CN1CCCNCC1 H55441 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.36 C=CCOCC1CO1 L11634 [0,0,0,1,0,0|3,0,0]=4 326 B8R1.49 C1CCCCCCC1 L15000 [0,0,0,1,0,0|1,0,1]=3 327 B8R1.49 C1CCC\C=C/CC1 A13477 [0,0,0,1,0,0|1,0,0]=2 328 B8R1.49 C1CC\C=C/CCC1 44966 [0,0,0,1,0,0|1,0,0]=2 329 B8R1.49 C1C\C=C/C=C\CC1 L10516 [0,0,0,1,0,0|1,0,2]=4 330 B8R1.49 C1\C=C/CC\C=C/C1 10466 [0,0,0,1,0,0|1,0,2]=4 331 B8R1.49 C1\C=C/CC\C=C/C1 10493 [0,0,0,1,0,0|1,0,2]=4 332 B8R1.49 C1\C=C/CC\C=C/C1 10494 [0,0,0,1,0,0|1,0,2]=4 333 B8R1.49 C1\C=C/CC\C=C/C1 12739 [0,0,0,1,0,0|1,0,2]=4 334 B8R1.49 C1\C=C/CC\C=C/C1 12749 [0,0,0,1,0,0|1,0,2]=4 335 B8R1.49 C1\C=C/CC\C=C/C1 13735 [0,0,0,1,0,0|1,0,2]=4 336 B8R1.49 C1\C=C/CC\C=C/C1 39234 [0,0,0,1,0,0|1,0,2]=4 337 B8R1.49 C1\C=C/CC\C=C/C1 39282 [0,0,0,1,0,0|1,0,2]=4 338 B8R1.49 C1\C=C/CC\C=C/C1 39289 [0,0,0,1,0,0|1,0,2]=4 339 B8R1.49 C1\C=C/CC\C=C/C1 39414 [0,0,0,1,0,0|1,0,2]=4 340 B8R1.49 C1\C=C/CC\C=C/C1 44031 [0,0,0,1,0,0|1,0,2]=4 341 B8R1.49 C1\C=C/CC\C=C/C1 44041 [0,0,0,1,0,0|1,0,2]=4 342 B8R1.49 C1\C=C/CC\C=C/C1 44157 [0,0,0,1,0,0|1,0,2]=4 343 B8R1.49 C1\C=C/CC\C=C/C1 44967 [0,0,0,1,0,0|1,0,2]=4 344 B8R1.49 C1\C=C/CC\C=C/C1 45523 [0,0,0,1,0,0|1,0,2]=4 345 B8R1.49 C1\C=C/CC\C=C/C1 46492 [0,0,0,1,0,0|1,0,2]=4 346 B8R1.49 C1\C=C/CC\C=C/C1 46581 [0,0,0,1,0,0|1,0,2]=4 347 B8R1.49 C1\C=C/CC\C=C/C1 B21196 [0,0,0,1,0,0|1,0,2]=4 348 B8R1.49 C1\C=C/CC\C=C/C1 H26083 [0,0,0,1,0,0|1,0,2]=4 349 B8R1.49 C1\C=C/CC\C=C/C1 H66191 [0,0,0,1,0,0|1,0,2]=4 350 B8R1.49 C1\C=C/CC\C=C/C1 H66412 [0,0,0,1,0,0|1,0,2]=4 351 B5R0.2 C(CCBr)CBr A11669 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.2 C(CCBr)CCl A11399 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.2 C(CCBr)CF H64317 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.2 C(CCBr)CO 16805 [2,0,0,0,0,0|1,0,1]=4 355 B5R0.2 C(CCCl)CCl B21337 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.2 C(CCCl)CO L04042 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.2 C(CCI)CCl L03302 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.2 C(CCI)CI A16216 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.2 C(CCN)CN A18312 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.2 C(CCN)CN B21316 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.2 C(CCO)CN A12680 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.2 C(CCO)CO L03491 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.2 C(CC[Zn+])CCl H58266 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.2 C(CO)NC=O H52345 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 C=CCCC=O L13351 [2,0,0,0,0,0|0,0,2]=4 366 B5R0.2 C=CCCCBr A11219 [2,0,0,0,0,0|1,0,1]=4 367 B5R0.2 C=CCCCO A11178 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.2 C=CCCC[Zn+] H58177 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.2 CCC#CCC L02682 [2,0,0,0,0,0|0,0,2]=4 370 B5R0.2 CCCC#CC B22405 [2,0,0,0,0,0|0,0,2]=4 371 B5R0.2 CCCCC#C A13156 [2,0,0,0,0,0|0,0,2]=4 372 B5R0.2 CCCCC#N A10306 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.2 CCCCC=C B20271 [2,0,0,0,0,0|0,0,1]=3 374 B5R0.2 CCCCC=O B21389 [2,0,0,0,0,0|0,0,0]=2 375 B5R0.2 CCCCCBr A10821 [2,0,0,0,0,0|1,0,0]=3 376 B5R0.2 CCCCCC 19353 [2,0,0,0,0,0|0,0,0]=2 377 B5R0.2 CCCCCC 32454 [2,0,0,0,0,0|0,0,0]=2 378 B5R0.2 CCCCCC 39199 [2,0,0,0,0,0|0,0,0]=2 379 B5R0.2 CCCCCC 41727 [2,0,0,0,0,0|0,0,0]=2 380 B5R0.2 CCCCCC 42100 [2,0,0,0,0,0|0,0,0]=2 381 B5R0.2 CCCCCC 43263 [2,0,0,0,0,0|0,0,0]=2 382 B5R0.2 CCCCCC 47104 [2,0,0,0,0,0|0,0,0]=2 383 B5R0.2 CCCCCC L09938 [2,0,0,0,0,0|0,0,0]=2 384 B5R0.2 CCCCCC L13233 [2,0,0,0,0,0|0,0,0]=2 385 B5R0.2 CCCCCCl B24733 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.2 CCCCCI B20781 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.2 CCCCCN A11674 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.2 CCCCCO 30898 [2,0,0,0,0,0|0,0,1]=3 389 B5R0.2 CCCCCO A13093 [2,0,0,0,0,0|0,0,1]=3 390 B5R0.2 CCCCCO H33391 [2,0,0,0,0,0|0,0,1]=3 391 B5R0.2 CCCCCS L04330 [2,0,0,0,0,0|0,1,0]=3 392 B5R0.2 CCCCC[Mg+] 41278 [2,0,0,0,0,0|1,0,0]=3 393 B5R0.2 CCCCC[Mg+] H51175 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.2 CCCCC[O-] 36569 [2,0,0,0,0,0|0,0,1]=3 395 B5R0.2 CCCCC[Zn+] H58633 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.2 CCCCNC B23032 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.2 CCCCSC L12039 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.2 CCCNCC 14846 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.2 CCCOC=O A18090 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.2 CCC\C=C/C H53506 [2,0,0,0,0,0|0,0,2]=4 401 B5R0.2 CCC\C=C\C B22289 [2,0,0,0,0,0|0,0,2]=4 402 B5R0.2 CCC\C=C\C H53472 [2,0,0,0,0,0|0,0,2]=4 403 B5R0.2 CCNCCN B23577 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.2 CCNCCO A15744 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.2 CCNNCC B22317 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.2 CCOCC=C B22276 [2,0,0,0,0,0|1,0,1]=4 407 B5R0.2 CCOCCBr L04034 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.2 CCOCCCl B24308 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.2 CCOCCO A16100 [2,0,0,0,0,0|1,0,1]=4 410 B5R0.2 CCSCC=C L12847 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.2 CCSCCN B22147 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.2 CCSCCO L05040 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.2 CCSSCC L10065 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.2 CC\C=C/CC H53485 [2,0,0,0,0,0|0,0,2]=4 415 B5R0.2 CC\C=C\C=O L06108 [2,0,0,0,0,0|0,0,2]=4 416 B5R0.2 CC\C=C\CC L10311 [2,0,0,0,0,0|0,0,2]=4 417 B5R0.2 CNCCCN B23319 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.2 CNCCCO H58818 [2,0,0,0,0,0|1,0,1]=4 419 B5R0.2 CNCCNC L02204 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.2 COCCCN B24095 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.2 COCCOC 45659 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.2 COCCOC A12986 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.2 CSCCC=O A14774 [2,0,0,0,0,0|1,0,0]=3 424 B5R0.2 CSCCCN H25846 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.2 CSCCCO A10403 [2,0,0,0,0,0|1,0,1]=4 426 B7R0.3 CCC(CCC=C)O B20128 [1,1,0,0,0,0|0,0,1]=3 427 B7R0.3 CCCCC(=O)CC A16977 [1,1,0,0,0,0|0,0,2]=4 428 B7R0.3 CCCCC(C#C)O L05330 [1,1,0,0,0,0|0,0,2]=4 429 B7R0.3 CCCCC(C)CC L12006 [1,1,0,0,0,0|0,0,1]=3 430 B7R0.3 CCCCC(C=C)O A14651 [1,1,0,0,0,0|0,0,1]=3 431 B7R0.3 CCCCC(CC)Br L04427 [1,1,0,0,0,0|0,0,1]=3 432 B7R0.3 CCCCC(CC)[Zn+] H58866 [1,1,0,0,0,0|0,0,1]=3 433 B7R0.3 CCCCC(CO)O L06864 [1,1,0,0,0,0|0,0,1]=3 434 B7R0.3 CSCC[C@@H](CO)N B24211 [1,1,0,0,0,0|1,0,1]=4 435 B7R0.4 C#CCCCC(=O)O B25132 [1,1,0,0,0,0|0,0,2]=4 436 B7R0.4 C(CC#N)CC(=O)O H66674 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.4 C(CCBr)CC(=O)Cl A18046 [1,1,0,0,0,0|1,0,0]=3 438 B7R0.4 C(CCBr)CC(=O)O A11765 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.4 C(CCCl)CC(=O)Cl H56237 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.4 C(CCN)CC(=O)O A15043 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.4 C(CCN)CC(=O)O B24788 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.4 C(COCC(=O)O)N H52289 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.4 C=CCCCC(=O)O L12863 [1,1,0,0,0,0|0,0,2]=4 444 B7R0.4 CC(=O)CCCCCl H53462 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.4 CC(=O)OCCCCl B25013 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.4 CC(C)CCCCBr L09486 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.4 CC(C)CCCCCl B20133 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.4 CC(C)CCON=O L13909 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.4 CC(C)OCCCN B23748 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.4 CCCC#CC(=O)O L02526 [1,1,0,0,0,0|0,0,2]=4 451 B7R0.4 CCCCCC(=O)C A10200 [1,1,0,0,0,0|0,0,0]=2 452 B7R0.4 CCCCCC(=O)Cl B23027 [1,1,0,0,0,0|0,0,0]=2 453 B7R0.4 CCCCCC(=O)N H25929 [1,1,0,0,0,0|0,0,0]=2 454 B7R0.4 CCCCCC(=O)O A13789 [1,1,0,0,0,0|0,0,0]=2 455 B7R0.4 CCCCCC(C)C H26220 [1,1,0,0,0,0|0,0,1]=3 456 B7R0.4 CCCCCC(C)N B22863 [1,1,0,0,0,0|0,0,1]=3 457 B7R0.4 CCCCCC(C)N L08596 [1,1,0,0,0,0|0,0,1]=3 458 B7R0.4 CCCCCC(C)O A18391 [1,1,0,0,0,0|0,0,1]=3 459 B7R0.4 CCCCCC(C)[Zn+] H58890 [1,1,0,0,0,0|0,0,1]=3 460 B7R0.4 CCCCC[C@@H](C)N L19306 [1,1,0,0,0,0|0,0,1]=3 461 B7R0.4 CCCCC[C@H](C)N L19307 [1,1,0,0,0,0|0,0,1]=3 462 B7R0.4 CCCCC[C@H](C)O 33795 [1,1,0,0,0,0|0,0,1]=3 463 B7R0.4 CCCCNC(=O)N L02854 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.4 CCCCNC(=S)N L09654 [1,1,0,0,0,0|1,1,0]=4 465 B7R0.4 CCCCOC(=O)C 19395 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.4 CCCCOC(=O)C 39197 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.4 CCCCOC(=O)C A19412 [1,1,0,0,0,0|1,0,0]=3 468 B7R0.4 CCCCOC(=O)Cl B22215 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.4 CCC\C=C\C(=O)C A19086 [1,1,0,0,0,0|0,0,2]=4 470 B7R0.4 CCC\C=C\C(=O)O A13571 [1,1,0,0,0,0|0,0,2]=4 471 B7R0.4 CC\C=C\CC(=O)O A13428 [1,1,0,0,0,0|0,0,2]=4 472 B7R0.4 CN(C)CCCCN H50276 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.4 CN(C)CCCCN H51139 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.4 COCCOC(=O)Cl H25937 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.4 C\C=C\CCC(=O)O L02724 [1,1,0,0,0,0|0,0,2]=4 476 B7R0.7 CC(CCBr)CCBr B20521 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.7 CC(CCO)CCO B20546 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.7 CCCC(=O)CCC B21222 [1,1,0,0,0,0|0,0,2]=4 479 B7R0.7 CCCC(CC=C)O B20591 [1,1,0,0,0,0|0,0,1]=3 480 B7R0.7 CCCC(CCC)Br H60807 [1,1,0,0,0,0|0,0,1]=3 481 B7R0.7 CCCC(CCC)Br L04807 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.7 CCCC(CCC)[Zn+] H58039 [1,1,0,0,0,0|0,0,1]=3 483 B7R0.7 CCCC(CCO)S B21965 [1,1,0,0,0,0|0,0,1]=3 484 B7R0.7 CCCC(\C=C\C)O B20057 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.7 CCCN(C)CCC H65077 [1,1,0,0,0,0|1,0,1]=4 486 B9R0.4 CCCCC(=O)CC(=O)C A10161 [0,2,0,0,0,0|0,0,1]=3 487 B9R0.5 CCCCCC(=O)CCC A15050 [0,2,0,0,0,0|1,0,1]=4 488 B9R0.5 CCCCCC(CC=C)O B20284 [0,2,0,0,0,0|1,0,0]=3 489 B9R0.5 CCCCCC(CCC)O A19496 [0,2,0,0,0,0|1,0,1]=4 490 B9R0.5 CCCCC[C@@H](C)N=C=O L20232 [0,2,0,0,0,0|0,0,1]=3 491 B9R0.5 CCCCC[C@@H](C)N=C=S L20064 [0,2,0,0,0,0|0,1,1]=4 492 B9R0.5 CCCCC[C@H](C)N=C=S L20065 [0,2,0,0,0,0|0,1,1]=4 493 B9R0.18 CCCCC(=O)CCCC A13722 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.18 CCCCC(CCCC)O L05812 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.18 CCCCS(=O)CCCC B23672 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.48 CCCC(C)CCC(=O)C B25160 [0,2,0,0,0,0|0,0,0]=2 497 B9R0.48 CCOC(=O)CCC(=O)C A15001 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.48 CCOC(=O)CCC(=O)C B20149 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.48 CCOC(=O)CCC(=O)O H55116 [0,2,0,0,0,0|1,0,1]=4 500 B9R0.66 CCCCC(C)(C)CCC B21554 [0,2,0,0,0,0|1,0,1]=4 501 B9R0.66 CCCCC(C)(CCC)O B20465 [0,2,0,0,0,0|1,0,1]=4 502 B9R0.2 B(\C=C\CCCCC)(O)O H52590 [0,2,0,0,0,0|0,0,2]=4 503 B9R0.2 C(CCCN)CCC(=O)O H27519 [0,2,0,0,0,0|0,0,0]=2 504 B9R0.2 CC(=O)OCCCCC=C H53445 [0,2,0,0,0,0|0,0,2]=4 505 B9R0.2 CC(=O)OCCCCCBr A15549 [0,2,0,0,0,0|1,0,0]=3 506 B9R0.2 CC(=O)OCCCCCCl A11111 [0,2,0,0,0,0|1,0,0]=3 507 B9R0.2 CCCCCC#CC(=O)O B21957 [0,2,0,0,0,0|0,0,1]=3 508 B9R0.2 CCCCCCCC(=O)C A11781 [0,2,0,0,0,0|0,0,0]=2 509 B9R0.2 CCCCCCCC(=O)Cl L03526 [0,2,0,0,0,0|0,0,0]=2 510 B9R0.2 CCCCCCCC(=O)O A11149 [0,2,0,0,0,0|0,0,0]=2 511 B9R0.2 CCCCCCCC(=O)[O-] 39371 [0,2,0,0,0,0|0,0,0]=2 512 B9R0.2 CCCCCCCC(=O)[O-] 39479 [0,2,0,0,0,0|0,0,0]=2 513 B9R0.2 CCCCCCCC(=O)[O-] 39825 [0,2,0,0,0,0|0,0,0]=2 514 B9R0.2 CCCCCCCC(=O)[O-] A13451 [0,2,0,0,0,0|0,0,0]=2 515 B9R0.2 CCCCCCCC(C)Br L07387 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.2 CCCCCCCC(C)C B20849 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.2 CCCCCCCC(C)O L06310 [0,2,0,0,0,0|0,0,2]=4 518 B9R0.2 CCCCCCC[C@@H](C)N L19310 [0,2,0,0,0,0|1,0,1]=4 519 B9R0.2 CCCCCCC[C@H](C)N L19311 [0,2,0,0,0,0|1,0,1]=4 520 B9R0.2 CCCCCCNC(=S)N B21686 [0,2,0,0,0,0|0,1,0]=3 521 B9R0.2 CCCCCCOC(=O)C L06342 [0,2,0,0,0,0|0,0,0]=2 522 B9R0.2 CCCCC\C=C\C(=O)C A19084 [0,2,0,0,0,0|0,0,1]=3 523 B9R0.2 CCCCC\C=C\C(=O)O L02058 [0,2,0,0,0,0|0,0,1]=3 524 B9R0.2 CCC\C=C\COC(=O)C A18786 [0,2,0,0,0,0|0,0,2]=4 525 B9R0.2 CC\C=C/CCOC(=O)C A19380 [0,2,0,0,0,0|0,0,2]=4 526 B9R0.45 C#CCCCCCCC#C A13834 [0,2,0,0,0,0|1,0,1]=4 527 B9R0.45 C(CCCC#N)CCC#N B24543 [0,2,0,0,0,0|1,0,1]=4 528 B9R0.45 C(CCCCBr)CCCBr A15651 [0,2,0,0,0,0|1,0,1]=4 529 B9R0.45 C(CCCCBr)CCCO H27628 [0,2,0,0,0,0|0,0,2]=4 530 B9R0.45 C(CCCCCl)CCCO H28417 [0,2,0,0,0,0|0,0,2]=4 531 B9R0.45 C(CCCCI)CCCI A10867 [0,2,0,0,0,0|1,0,1]=4 532 B9R0.45 C(CCCCN)CCCN B23885 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.45 C(CCCCO)CCCO A15402 [0,2,0,0,0,0|0,0,2]=4 534 B9R0.45 C(CCCCS)CCCS B24693 [0,2,0,0,0,0|0,1,1]=4 535 B9R0.45 C(CCNCCCN)CN A19096 [0,2,0,0,0,0|1,0,1]=4 536 B9R0.45 C=CCCCCCCC=C 31207 [0,2,0,0,0,0|1,0,0]=3 537 B9R0.45 C=CCCCCCCCBr H64792 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.45 CCCCC#CCCCC A13050 [0,2,0,0,0,0|1,0,1]=4 539 B9R0.45 CCCCC#CCCCCl L10491 [0,2,0,0,0,0|1,0,1]=4 540 B9R0.45 CCCCCC#CCC#C L12516 [0,2,0,0,0,0|1,0,1]=4 541 B9R0.45 CCCCCC#CCCC B20597 [0,2,0,0,0,0|1,0,1]=4 542 B9R0.45 CCCCCC#CCCO A12922 [0,2,0,0,0,0|0,0,2]=4 543 B9R0.45 CCCCCCC#CCC B20268 [0,2,0,0,0,0|1,0,1]=4 544 B9R0.45 CCCCCCC#CCO L06380 [0,2,0,0,0,0|0,0,2]=4 545 B9R0.45 CCCCCCCCC#C A11171 [0,2,0,0,0,0|1,0,1]=4 546 B9R0.45 CCCCCCCCC=C 31213 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.45 CCCCCCCCC=C L06800 [0,2,0,0,0,0|1,0,0]=3 548 B9R0.45 CCCCCCCCC=O A15908 [0,2,0,0,0,0|0,0,0]=2 549 B9R0.45 CCCCCCCCCBr A10577 [0,2,0,0,0,0|1,0,1]=4 550 B9R0.45 CCCCCCCCCC 31209 [0,2,0,0,0,0|1,0,1]=4 551 B9R0.45 CCCCCCCCCC A14732 [0,2,0,0,0,0|1,0,1]=4 552 B9R0.45 CCCCCCCCCCl L09909 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.45 CCCCCCCCCI A10667 [0,2,0,0,0,0|1,0,1]=4 554 B9R0.45 CCCCCCCCCN A18209 [0,2,0,0,0,0|1,0,1]=4 555 B9R0.45 CCCCCCCCCO A12510 [0,2,0,0,0,0|0,0,2]=4 556 B9R0.45 CCCCCCCCCS L10988 [0,2,0,0,0,0|0,1,1]=4 557 B9R0.45 CCCCCCCCC[Zn+] H58604 [0,2,0,0,0,0|1,0,1]=4 558 B9R0.45 CCCCCCCCNC L18639 [0,2,0,0,0,0|1,0,1]=4 559 B9R0.45 CCCCCCCN=C=O B21793 [0,2,0,0,0,0|0,0,1]=3 560 B9R0.45 CCCCCCCN=C=S L10866 [0,2,0,0,0,0|0,1,1]=4 561 B9R0.45 CCCCCCCNCC H65107 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.45 CCCCCCOCCO B22385 [0,2,0,0,0,0|0,0,2]=4 563 B9R0.45 CCCCCC\C=C/CO A18842 [0,2,0,0,0,0|0,0,1]=3 564 B9R0.45 CCCCCC\C=C\C=O A18108 [0,2,0,0,0,0|0,0,0]=2 565 B9R0.45 CCCCC\C=C/CCO A17846 [0,2,0,0,0,0|0,0,2]=4 566 B9R0.45 CCCC\C=C\CCCC L10689 [0,2,0,0,0,0|1,0,1]=4 567 B9R0.45 CCCNCCNCCC L04671 [0,2,0,0,0,0|1,0,1]=4 568 B9R0.45 CCOCCCCOCC B25607 [0,2,0,0,0,0|1,0,1]=4 569 B9R0.45 CC\C=C/CCCCC=O L08260 [0,2,0,0,0,0|0,0,0]=2 570 B9R0.45 CC\C=C/CCCCCO L08387 [0,2,0,0,0,0|0,0,2]=4 571 B9R0.45 CC\C=C/CC\C=C\C=O A18356 [0,2,0,0,0,0|0,0,2]=4 572 B9R0.45 COCCCCCCOC B25130 [0,2,0,0,0,0|0,0,2]=4 573 B9R0.46 C=CC(=O)OCCCCO L11097 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.46 CCCCCCC(=O)CC A19878 [0,2,0,0,0,0|0,0,0]=2 575 B9R0.46 CCCCCCC(C=C)O L06889 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.46 CCCCCCC(CC)O A19120 [0,2,0,0,0,0|0,0,2]=4 577 B9R0.46 CCCCCCC(CO)O L08031 [0,2,0,0,0,0|0,0,2]=4 578 B9R0.46 CSCCCOC(=O)CS H33285 [0,2,0,0,0,0|2,0,0]=4 579 B9R0.1 CC(CCC=C(C)C)C=O 17773 [0,2,0,0,0,0|0,0,2]=4 580 B9R0.1 COC(=O)CCCC(=O)Cl B25141 [0,2,0,0,0,0|1,0,1]=4 581 B9R0.1 COC(=O)CCCC(=O)O L09196 [0,2,0,0,0,0|1,0,1]=4 582 B9R0.20 CCCCCC(C)(C)CC B21520 [0,2,0,0,0,0|1,0,1]=4 583 B9R0.20 CCCCCC(C)(CC)O A19907 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.47 C(CCN)CC(C(=O)O)N A11066 [0,2,0,0,0,0|1,0,0]=3 585 B9R0.47 C(CCN)CC(C(=O)O)N L07576 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.47 C(CCN)C[C@@H](C(=O)N)N H65741 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A13040 [0,2,0,0,0,0|1,0,0]=3 588 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16127 [0,2,0,0,0,0|1,0,0]=3 589 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16249 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.47 C(CCN)C[C@H](C(=O)O)N L07710 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.47 CCCCCC(C)C(=O)O B22050 [0,2,0,0,0,0|0,0,0]=2 592 B9R0.47 CCOOC[C@@H](C(=O)O)N H52790 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.47 CCSCCC(C(=O)O)N A13154 [0,2,0,0,0,0|1,0,0]=3 594 B9R0.50 CCCCCC(CO)CO B21800 [0,2,0,0,0,0|0,0,2]=4 595 B9R0.50 CCCCCC(OC)OC A18824 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.38 CCCCCCP(=O)(O)O 44121 [0,2,0,0,0,0|1,0,0]=3 597 B9R0.38 CCCCCCS(=O)(=O)[O-] 32190 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.38 CCCCCCS(=O)(=O)[O-] A13278 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.38 CCCCCC[N+](C)(C)C L08594 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.38 CCCCCC[Si](C)(C)Cl A19140 [0,2,0,0,0,0|1,1,0]=4 601 B9R0.38 CCCCCOS(=O)(=O)[O-] B22427 [0,2,0,0,0,0|2,0,0]=4 602 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A13168 [0,2,0,0,0,0|1,0,1]=4 603 B9R0.55 C(CCC(=O)N)CC(=O)N B24252 [0,2,0,0,0,0|1,0,1]=4 604 B9R0.55 C(CCC(=O)O)CC(=O)O A13705 [0,2,0,0,0,0|1,0,1]=4 605 B9R0.55 CC(=O)CCCCC(=O)O A14810 [0,2,0,0,0,0|0,0,1]=3 606 B9R0.55 CC(=O)NCCCC(=O)O A11039 [0,2,0,0,0,0|1,0,1]=4 607 B9R0.55 CC(C)CCCCC(=O)O H30392 [0,2,0,0,0,0|0,0,0]=2 608 B9R0.55 CC(C)CCCCC(C)C B21646 [0,2,0,0,0,0|1,0,1]=4 609 B7R1.1 C#CC1CCCC1 H53483 [1,0,0,1,0,0|0,0,2]=4 610 B7R1.1 C1CC(NC1)CO H62322 [1,0,0,1,0,0|1,0,1]=4 611 B7R1.1 C1CC(OC1)CBr A15192 [1,0,0,1,0,0|1,0,1]=4 612 B7R1.1 C1CC(OC1)CCl B24015 [1,0,0,1,0,0|1,0,1]=4 613 B7R1.1 C1CC(OC1)CN B23068 [1,0,0,1,0,0|1,0,1]=4 614 B7R1.1 C1CC(OC1)CO A17078 [1,0,0,1,0,0|1,0,1]=4 615 B7R1.1 C1CCC(C1)C#N A17710 [1,0,0,1,0,0|1,0,1]=4 616 B7R1.1 C1CCC(C1)C=O H56609 [1,0,0,1,0,0|0,0,0]=2 617 B7R1.1 C1CCC(C1)CI B25391 [1,0,0,1,0,0|1,0,0]=3 618 B7R1.1 C1CCC(C1)CO A11595 [1,0,0,1,0,0|0,0,1]=3 619 B7R1.1 C1CNCC1CO H57225 [1,0,0,1,0,0|1,0,1]=4 620 B7R1.1 C1CNC[C@@H]1CO H57871 [1,0,0,1,0,0|1,0,1]=4 621 B7R1.1 C1CNC[C@H]1CO H57199 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.1 C1C[C@@H](NC1)CN H66198 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.1 C1C[C@@H](NC1)CO L11109 [1,0,0,1,0,0|1,0,1]=4 624 B7R1.1 C1C[C@@H](OC1)CN L14410 [1,0,0,1,0,0|1,0,1]=4 625 B7R1.1 C1C[C@@H](OC1)CO L19044 [1,0,0,1,0,0|1,0,1]=4 626 B7R1.1 C1C[C@H](NC1)CO L09779 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.1 C1C[C@H](OC1)CN L10790 [1,0,0,1,0,0|1,0,1]=4 628 B7R1.1 C=CC1CCCC1 H26230 [1,0,0,1,0,0|0,0,1]=3 629 B7R1.1 CC=C1CCCC1 B20209 [1,0,0,1,0,0|1,0,1]=4 630 B7R1.1 COC1CCCC1 H27349 [1,0,0,1,0,0|1,0,1]=4 631 B7R1.3 C1CC(CNC1)F L19776 [1,0,0,1,0,0|2,0,0]=4 632 B7R1.3 C1CC(CNC1)N H57306 [1,0,0,1,0,0|2,0,0]=4 633 B7R1.3 C1CC(CNC1)O H55983 [1,0,0,1,0,0|1,0,1]=4 634 B7R1.3 C1CC(CNC1)O L01333 [1,0,0,1,0,0|1,0,1]=4 635 B7R1.3 C1CC=CC(=O)C1 A15435 [1,0,0,1,0,0|0,0,2]=4 636 B7R1.3 C1CC=CC(C1)Br A10370 [1,0,0,1,0,0|1,0,1]=4 637 B7R1.3 C1CCC(=O)CC1 33309 [1,0,0,1,0,0|0,0,0]=2 638 B7R1.3 C1CCC(=O)CC1 A15607 [1,0,0,1,0,0|0,0,0]=2 639 B7R1.3 C1CCC(CC1)Br 31031 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.3 C1CCC(CC1)Br A11593 [1,0,0,1,0,0|1,0,0]=3 641 B7R1.3 C1CCC(CC1)Cl L04349 [1,0,0,1,0,0|1,0,0]=3 642 B7R1.3 C1CCC(CC1)F L13015 [1,0,0,1,0,0|1,0,0]=3 643 B7R1.3 C1CCC(CC1)I B24840 [1,0,0,1,0,0|1,0,0]=3 644 B7R1.3 C1CCC(CC1)N A15851 [1,0,0,1,0,0|1,0,0]=3 645 B7R1.3 C1CCC(CC1)N A17308 [1,0,0,1,0,0|1,0,0]=3 646 B7R1.3 C1CCC(CC1)N A18439 [1,0,0,1,0,0|1,0,0]=3 647 B7R1.3 C1CCC(CC1)O A17576 [1,0,0,1,0,0|0,0,1]=3 648 B7R1.3 C1CCC(CC1)S 39540 [1,0,0,1,0,0|0,1,0]=3 649 B7R1.3 C1CCC(CC1)S B21656 [1,0,0,1,0,0|0,1,0]=3 650 B7R1.3 C1CCC(CC1)[Mg+] H51165 [1,0,0,1,0,0|1,0,0]=3 651 B7R1.3 C1CCC(CC1)[Zn+] H58852 [1,0,0,1,0,0|1,0,0]=3 652 B7R1.3 C1CCN(CC1)N B25746 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.3 C1CCN(CC1)N L14078 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.3 C1CCNC(=O)C1 A12271 [1,0,0,1,0,0|1,0,0]=3 655 B7R1.3 C1CCOC(=O)C1 L04794 [1,0,0,1,0,0|1,0,0]=3 656 B7R1.3 C1CNC(=O)CN1 B24131 [1,0,0,1,0,0|2,0,0]=4 657 B7R1.3 C1CNCCC1=O A13726 [1,0,0,1,0,0|1,0,0]=3 658 B7R1.3 C1CNCCC1F H25755 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.3 C1CNCCC1N L20127 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.3 C1CNCCC1O B22723 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.3 C1COCCC1=O A19010 [1,0,0,1,0,0|1,0,0]=3 662 B7R1.3 C1CSCCC1=O A15872 [1,0,0,1,0,0|1,0,0]=3 663 B7R1.3 C1C[C@@H](CNC1)N H27700 [1,0,0,1,0,0|2,0,0]=4 664 B7R1.3 C1C[C@H](CNC1)N H27683 [1,0,0,1,0,0|2,0,0]=4 665 B7R1.3 C1C[C@H](CNC1)O H56847 [1,0,0,1,0,0|1,0,1]=4 666 B7R1.3 CC1=CCCCC1 L15014 [1,0,0,1,0,0|0,0,1]=3 667 B7R1.3 CC1CCCCC1 31861 [1,0,0,1,0,0|0,0,1]=3 668 B7R1.3 CC1CCCCC1 A16057 [1,0,0,1,0,0|0,0,1]=3 669 B7R1.3 CC1CCCCN1 L02567 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.3 CC1CCCNC1 L13408 [1,0,0,1,0,0|1,0,1]=4 671 B7R1.3 CC1CCNCC1 L02709 [1,0,0,1,0,0|1,0,1]=4 672 B7R1.3 CC1CNCCN1 B24405 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.3 CC1SCCCS1 L00209 [1,0,0,1,0,0|1,1,0]=4 674 B7R1.3 CN1CCCCC1 L03398 [1,0,0,1,0,0|1,0,1]=4 675 B7R1.3 C[C@@H]1CNCCN1 B22366 [1,0,0,1,0,0|2,0,0]=4 676 B7R1.3 C[C@@H]1CNCCN1 L20074 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.3 C[C@H]1CNCCN1 L14429 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.3 C[C@H]1CNCCN1 L20075 [1,0,0,1,0,0|2,0,0]=4 679 B7R1.4 C1CC(C(=O)C1)Cl B22573 [1,0,0,1,0,0|1,0,0]=3 680 B7R1.4 C1CNC(=O)C1O H57961 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.4 C1COC(=O)C1Br A17344 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.4 C1COC(=O)[C@H]1N B23148 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.4 C1CSC(=O)C1N L09077 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.4 CC1C(=O)CCO1 B20890 [1,0,0,1,0,0|1,0,0]=3 685 B7R1.4 CC1C(=O)CCS1 L10083 [1,0,0,1,0,0|1,0,0]=3 686 B7R1.4 CC1CCCC1O A19978 [1,0,0,1,0,0|0,0,1]=3 687 B7R1.4 CN1CCCC1=O 38986 [1,0,0,1,0,0|1,0,0]=3 688 B7R1.4 CN1CCCC1=O 39176 [1,0,0,1,0,0|1,0,0]=3 689 B7R1.4 CN1CCCC1=O 43741 [1,0,0,1,0,0|1,0,0]=3 690 B7R1.4 CN1CCCC1=O 43894 [1,0,0,1,0,0|1,0,0]=3 691 B7R1.4 CN1CCCC1=O 44063 [1,0,0,1,0,0|1,0,0]=3 692 B7R1.4 CN1CCCC1=O A12260 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.7 CCCCC1CO1 L07609 [1,0,0,1,0,0|0,0,1]=3 694 B7R1.24 C1CCC=CCC1 H29062 [1,0,0,1,0,0|0,0,1]=3 695 B7R1.24 C1CCCCCC1 B22902 [1,0,0,1,0,0|0,0,1]=3 696 B7R1.24 C1CCCNCC1 B24007 [1,0,0,1,0,0|1,0,0]=3 697 B7R1.24 C1CCCOCC1 L09992 [1,0,0,1,0,0|0,0,1]=3 698 B7R1.24 C1CNCCNC1 A15751 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.24 C1CNCCOC1 B21749 [1,0,0,1,0,0|1,0,1]=4 700 B9R1.2 C1C[C@H](C[C@@H](C1)N)C#N H62938 [0,1,0,1,0,0|1,0,1]=4 701 B9R1.8 C#CCC1CCCCC1 B20505 [0,1,0,1,0,0|1,0,1]=4 702 B9R1.8 C1CCC(CC1)CCBr L09466 [0,1,0,1,0,0|1,0,1]=4 703 B9R1.8 C1CCC(CC1)CCN H27987 [0,1,0,1,0,0|1,0,1]=4 704 B9R1.8 C1CCC(CC1)CCN H35368 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.8 C1CCC(CC1)CCO B20782 [0,1,0,1,0,0|0,0,2]=4 706 B9R1.8 C1CCC(CC1)CC[Zn+] H58193 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.8 C1CCC(CC1)N=C=N L19463 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.8 C1CCC(CC1)N=C=O B23059 [0,1,0,1,0,0|0,0,1]=3 709 B9R1.8 C1CCC(CC1)N=C=S A15585 [0,1,0,1,0,0|0,1,1]=4 710 B9R1.8 C1CCN(CC1)CC#N A12464 [0,1,0,1,0,0|1,0,1]=4 711 B9R1.8 C1CCN(CC1)CCCl B22985 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.8 C1CCN(CC1)CCN A18373 [0,1,0,1,0,0|1,0,1]=4 713 B9R1.8 C1CCN(CC1)CCO B23816 [0,1,0,1,0,0|0,0,2]=4 714 B9R1.8 C=CCC1CCCCC1 L00946 [0,1,0,1,0,0|1,0,0]=3 715 B9R1.8 C=CCN1CCCCC1 L12312 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.8 C=CCN1CCNCC1 L19391 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.8 CCCC1CCNCC1 H25848 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.8 CCNC1CCCCC1 L14221 [0,1,0,1,0,0|1,0,1]=4 719 B9R1.8 CCOC1CCCNC1 H50957 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.8 CCOC1CCCNC1 H51152 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.8 COCC1CCNCC1 H51020 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.12 C1CCN(C1)CCC#N L01818 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.12 C1CCN(C1)CCCN L04739 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.12 CCCCC1=CC=CC1 H27576 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.12 CCCCC1=CCC=C1 A16719 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.15 CCC1CCCCC1=O B20748 [0,1,0,1,0,0|0,0,0]=2 727 B9R1.15 CN1CCCCC1CO B22187 [0,1,0,1,0,0|0,0,2]=4 728 B9R1.15 CO[C@H]1CCCC[C@@H]1O L19065 [0,1,0,1,0,0|0,0,2]=4 729 B9R1.27 CCC1C(=O)CCC1=O B20254 [0,1,0,1,0,0|0,0,1]=3 730 B9R1.48 C1CCC(=O)CC(=O)C1 H54588 [0,1,0,1,0,0|0,0,1]=3 731 B9R1.50 C1CCCC(=O)CCC1 B20911 [0,1,0,1,0,0|0,0,0]=2 732 B9R1.50 C1CCCC(CCC1)Br B24839 [0,1,0,1,0,0|1,0,1]=4 733 B9R1.50 C1CCCC(CCC1)N L00981 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.50 C1CCCC(CCC1)O A17825 [0,1,0,1,0,0|0,0,2]=4 735 B9R1.69 CC1CN(CCC1=O)C H61425 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.134 CCCC1(CCCC1)O B20058 [0,1,0,1,0,0|1,0,1]=4 737 B9R1.5 CN1CCCCCC1=O A17776 [0,1,0,1,0,0|0,0,0]=2 738 B9R1.14 CCN1CCC[C@@H]1CN H57638 [0,1,0,1,0,0|1,0,1]=4 739 B9R1.14 CCN1CCC[C@H]1CN H57137 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.83 C=CCCCCC1CO1 L07033 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.83 CCCCCCC1CO1 B21463 [0,1,0,1,0,0|0,0,2]=4 742 B9R1.83 CCCCOCC1CO1 L16201 [0,1,0,1,0,0|0,0,2]=4 743 B9R1.89 C1CCCC(CC1)C#N H25804 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.89 C1CCCC(CC1)CN L14659 [0,1,0,1,0,0|1,0,1]=4 745 B9R1.89 C1CNCCN(C1)C=O L17575 [0,1,0,1,0,0|1,0,0]=3 746 B9R1.89 CNC1CCCCCC1 H66044 [0,1,0,1,0,0|1,0,1]=4 747 B9R1.1 C1[C@@H](CC[C@@H](C1)N)C#N H62292 [0,1,0,1,0,0|1,0,1]=4 748 B9R1.1 C1[C@@H](CC[C@H](C1)N)C#N H62522 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.1 CN1CCN(CC1)C=O L19358 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.3 CC1C(=O)CCCC1=O A11218 [0,1,0,1,0,0|0,0,1]=3 751 B9R1.3 CC1CCCC(=O)C1=O B22623 [0,1,0,1,0,0|0,0,1]=3 752 B9R1.3 CC1CCCC(C1=O)C A12647 [0,1,0,1,0,0|0,0,0]=2 753 B9R1.3 CN1CCCN(C1=O)C L09968 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.118 C#CC1(CCCCC1)N H53514 [0,1,0,1,0,0|1,0,1]=4 755 B9R1.118 C#CC1(CCCCC1)O L12591 [0,1,0,1,0,0|1,0,1]=4 756 B9R1.118 C1CCC(CC1)(C#N)O H26699 [0,1,0,1,0,0|1,0,1]=4 757 B9R1.6 C1CC(CC=C1)C(=O)Cl H50390 [0,1,0,1,0,0|0,0,2]=4 758 B9R1.6 C1CC(CC=C1)C(=O)O A15229 [0,1,0,1,0,0|0,0,2]=4 759 B9R1.6 C1CC(CNC1)C(=O)O B24723 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.6 C1CCC(=CC1)C(=O)O A10741 [0,1,0,1,0,0|0,0,2]=4 761 B9R1.6 C1CCC(CC1)C(=O)Cl A19824 [0,1,0,1,0,0|0,0,0]=2 762 B9R1.6 C1CCC(CC1)C(=O)O A14693 [0,1,0,1,0,0|0,0,0]=2 763 B9R1.6 C1CCN(CC1)C(=S)N L12445 [0,1,0,1,0,0|1,1,0]=4 764 B9R1.6 C1CCNC(C1)C(=O)O B23541 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.6 C1CCN[C@@H](C1)C(=O)O L15373 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.6 C1CCN[C@H](C1)C(=O)O H63255 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.6 C1CNC(CN1)C(=O)O H27101 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.6 C1CNC(CN1)C(=O)O H27344 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.6 C1CNCCC1C(=O)N A13442 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.6 C1CNCCC1C(=O)O A11795 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.6 C1CNCCC1C(=S)N H58601 [0,1,0,1,0,0|1,1,0]=4 772 B9R1.6 C1CN[C@@H](CN1)C(=O)O H28972 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.6 C1CN[C@H](CN1)C(=O)O H26898 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.6 C1COCC(N1)C(=O)O H64336 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.6 C1COCCC1C(=O)O H64340 [0,1,0,1,0,0|1,0,0]=3 776 B9R1.6 C1COC[C@@H](N1)C(=O)O H64189 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.6 C1C[C@@H](CNC1)C(=O)O H57543 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.6 C1C[C@H](CNC1)C(=O)O H57434 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.6 CC(=O)C1CCCCC1 B21000 [0,1,0,1,0,0|0,0,0]=2 780 B9R1.6 CC(=O)C1CCOCC1 H64522 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.6 CC(=O)N1CCNCC1 B20200 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.6 CC(=O)N1CCOCC1 B24120 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.6 CC(C1CCCCC1)O B20363 [0,1,0,1,0,0|0,0,2]=4 784 B9R1.6 CN(C)C1CCCCC1 L14521 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.6 C[C@@H](C1CCCCC1)N L19066 [0,1,0,1,0,0|1,0,1]=4 786 B9R1.6 C[C@H](C1CCCCC1)N L19051 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.13 C1CC(C=C1)CC(=O)O H27507 [0,1,0,1,0,0|0,0,2]=4 788 B9R1.13 C1CC(NC1)CC(=O)O H31749 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.13 C1CCC(C1)CC(=O)Cl L14562 [0,1,0,1,0,0|0,0,0]=2 790 B9R1.13 C1CCC(C1)CC(=O)O A15696 [0,1,0,1,0,0|0,0,0]=2 791 B9R1.13 C1C[C@@H](NC1)CC(=O)O H52085 [0,1,0,1,0,0|1,0,0]=3 792 B9R1.13 C1C[C@H](NC1)CC(=O)O H65110 [0,1,0,1,0,0|1,0,0]=3 793 B9R1.13 CC(=C)CC1CCCC1 B20662 [0,1,0,1,0,0|1,0,0]=3 794 B9R1.13 CC(=O)N[C@@H]1CCNC1 L12567 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.13 CC(=O)N[C@H]1CCNC1 L12927 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.41 CC(=O)C1CCOC1=O B22967 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.41 CN1CCC[C@H]1C(=O)O H63241 [0,1,0,1,0,0|1,0,0]=3 798 B9R1.148 CC1(CCCCCC1)O B20393 [0,1,0,1,0,0|0,0,2]=4 799 B9R2.39 C1C2CC(C1C=C2)O H56994 [0,0,0,2,0,0|2,0,0]=4 800 B9R2.39 C1CC2CC1CC2=O L01491 [0,0,0,2,0,0|0,0,0]=2 801 B9R2.3 C1CC2CNCC2C1 H66462 [0,0,0,2,0,0|1,0,1]=4 802 B9R2.7 C1C=CC2C1C(=O)C2 B22472 [0,0,0,2,0,0|0,0,2]=4