0 B5R0.2 C#CCCCCl L02835 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCCO A10405 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 C#C\C=C\CO L10266 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.2 C(C#CCCl)O L20159 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C(C#CCO)O A14539 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C(CBr)N=C=S L19246 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 C(CC#N)CBr A10674 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 C(CC#N)CCl A18942 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 C(CC#N)C[Zn+] H58962 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 C(CCBr)CBr A11669 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 C(CCBr)CCl A11399 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 C(CCBr)CF H64317 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 C(CCBr)CO 16805 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 C(CCCl)CCl B21337 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 C(CCCl)CO L04042 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 C(CCI)CCl L03302 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 C(CCI)CI A16216 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 C(CCN)CN A18312 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 C(CCN)CN B21316 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 C(CCO)CN A12680 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.2 C(CCO)CO L03491 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 C(CC[Zn+])CCl H58266 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.2 C(CCl)N=C=O A17289 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 C(CCl)N=C=S L11604 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.2 C(CO)NC=O H52345 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.2 C([Zn+2])[Zn]C[Zn-]Br H56963 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.2 C(\C=C/CCl)Cl A18956 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.2 C(\C=C/CO)O A19182 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.2 C=CCCCBr A11219 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.2 C=CCCCO A11178 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.2 C=CCCC[Zn+] H58177 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.2 CC#CCCO L02951 [0,0,0,0,0,0|1,0,1]=2 32 B5R0.2 CCC#CCBr H53433 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.2 CCC#CCC L02682 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.2 CCC#CCO A12999 [0,0,0,0,0,0|1,0,1]=2 35 B5R0.2 CCCC#CC B22405 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.2 CCCCC#C A13156 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.2 CCCCC#N A10306 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.2 CCCCC=C B20271 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.2 CCCCC=O B21389 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.2 CCCCCBr A10821 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.2 CCCCCC 19353 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.2 CCCCCC 32454 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.2 CCCCCC 39199 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.2 CCCCCC 41727 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.2 CCCCCC 42100 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.2 CCCCCC 43263 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.2 CCCCCC 47104 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.2 CCCCCC L09938 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.2 CCCCCC L13233 [0,0,0,0,0,0|2,0,0]=2 50 B5R0.2 CCCCCCl B24733 [0,0,0,0,0,0|2,0,0]=2 51 B5R0.2 CCCCCI B20781 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.2 CCCCCN A11674 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.2 CCCCCO 30898 [0,0,0,0,0,0|1,0,0]=1 54 B5R0.2 CCCCCO A13093 [0,0,0,0,0,0|1,0,0]=1 55 B5R0.2 CCCCCO H33391 [0,0,0,0,0,0|1,0,0]=1 56 B5R0.2 CCCCCS L04330 [0,0,0,0,0,0|1,1,0]=2 57 B5R0.2 CCCCC[Mg+] 41278 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.2 CCCCC[Mg+] H51175 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.2 CCCCC[O-] 36569 [0,0,0,0,0,0|1,0,1]=2 60 B5R0.2 CCCCC[Zn+] H58633 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.2 CCCCNC B23032 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.2 CCCCSC L12039 [0,0,0,0,0,0|3,0,0]=3 63 B5R0.2 CCCN=C=S A14499 [0,0,0,0,0,0|2,1,1]=4 64 B5R0.2 CCCNCC 14846 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.2 CCCOC=O A18090 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.2 CCC\C=C/C H53506 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.2 CCC\C=C\C B22289 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.2 CCC\C=C\C H53472 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.2 CCC\C=N\O A11420 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.2 CCNCCN B23577 [0,0,0,0,0,0|2,0,0]=2 71 B5R0.2 CCNCCO A15744 [0,0,0,0,0,0|1,0,0]=1 72 B5R0.2 CCNNCC B22317 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.2 CCOCC=C B22276 [0,0,0,0,0,0|1,1,1]=3 74 B5R0.2 CCOCCBr L04034 [0,0,0,0,0,0|1,1,0]=2 75 B5R0.2 CCOCCCl B24308 [0,0,0,0,0,0|1,1,0]=2 76 B5R0.2 CCOCCO A16100 [0,0,0,0,0,0|0,1,0]=1 77 B5R0.2 CCO\C=C\C H26319 [0,0,0,0,0,0|1,1,2]=4 78 B5R0.2 CCSCC=C L12847 [0,0,0,0,0,0|1,0,1]=2 79 B5R0.2 CCSCCN B22147 [0,0,0,0,0,0|1,0,0]=1 80 B5R0.2 CCSCCO L05040 [0,0,0,0,0,0|0,0,0]=0 81 B5R0.2 CCSSCC L10065 [0,0,0,0,0,0|2,0,0]=2 82 B5R0.2 CC\C=C/CC H53485 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.2 CC\C=C/CO A14262 [0,0,0,0,0,0|1,0,1]=2 84 B5R0.2 CC\C=C\C=O L06108 [0,0,0,0,0,0|1,0,3]=4 85 B5R0.2 CC\C=C\CC L10311 [0,0,0,0,0,0|2,0,1]=3 86 B5R0.2 CNCCCN B23319 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.2 CNCCCO H58818 [0,0,0,0,0,0|2,0,0]=2 88 B5R0.2 CNCCNC L02204 [0,0,0,0,0,0|4,0,0]=4 89 B5R0.2 COCCC#N L07055 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.2 COCCCN B24095 [0,0,0,0,0,0|3,0,0]=3 91 B5R0.2 COCCOC 45659 [0,0,0,0,0,0|4,0,0]=4 92 B5R0.2 COCCOC A12986 [0,0,0,0,0,0|4,0,0]=4 93 B5R0.2 CSCCC=O A14774 [0,0,0,0,0,0|2,0,2]=4 94 B5R0.2 CSCCCN H25846 [0,0,0,0,0,0|3,0,0]=3 95 B5R0.2 CSCCCO A10403 [0,0,0,0,0,0|2,0,0]=2 96 B5R0.2 C\C=C\CC=C B20060 [0,0,0,0,0,0|2,0,2]=4 97 B4R0.2 C#CCCBr H53367 [1,0,0,0,0,0|1,0,2]=4 98 B4R0.2 C#CCCO A11477 [1,0,0,0,0,0|0,0,2]=3 99 B4R0.2 C(CBr)C#N B23998 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 C(CBr)CBr A14687 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 C(CCl)C#N L05902 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 C(CCl)CBr A11395 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.2 C(CCl)CCl 36685 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 C(CCl)CI A13489 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 C(CF)CF L12351 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.2 C(CI)CI A10616 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.2 C(CN)C#N A13043 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 C(CN)CBr B23254 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.2 C(CN)CCl A15415 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.2 C(CN)CN A11932 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.2 C(CN)CO B23041 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.2 C(CO)C#N L12570 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.2 C(CO)CBr B22857 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.2 C(CO)CCl A16871 [1,0,0,0,0,0|1,0,0]=2 115 B4R0.2 C(CO)CO A10829 [1,0,0,0,0,0|1,0,0]=2 116 B4R0.2 C(CO)NN 43793 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.2 C(CS)CS A15261 [1,0,0,0,0,0|1,1,0]=3 118 B4R0.2 C(C[Zn+])C#N H58695 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 C(SC#N)Cl A12108 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 C=CCCBr A10977 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.2 C=CCCN L20157 [1,0,0,0,0,0|1,0,2]=4 122 B4R0.2 C=CCCO L00767 [1,0,0,0,0,0|0,0,2]=3 123 B4R0.2 C=CCC[Zn+] H58171 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.2 CC#CCBr L20134 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.2 CC#CCO A15709 [1,0,0,0,0,0|0,0,2]=3 126 B4R0.2 CCC#CC L02973 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.2 CCCC#C L02479 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.2 CCCC#N L02999 [1,0,0,0,0,0|1,0,1]=3 129 B4R0.2 CCCC=C A16723 [1,0,0,0,0,0|1,0,1]=3 130 B4R0.2 CCCC=O A18243 [1,0,0,0,0,0|0,0,2]=3 131 B4R0.2 CCCCBr A10696 [1,0,0,0,0,0|1,0,0]=2 132 B4R0.2 CCCCC 17381 [1,0,0,0,0,0|1,0,0]=2 133 B4R0.2 CCCCC 22907 [1,0,0,0,0,0|1,0,0]=2 134 B4R0.2 CCCCC 32449 [1,0,0,0,0,0|1,0,0]=2 135 B4R0.2 CCCCC 40981 [1,0,0,0,0,0|1,0,0]=2 136 B4R0.2 CCCCC 44255 [1,0,0,0,0,0|1,0,0]=2 137 B4R0.2 CCCCC 47115 [1,0,0,0,0,0|1,0,0]=2 138 B4R0.2 CCCCC H27427 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.2 CCCCCl 39198 [1,0,0,0,0,0|1,0,0]=2 140 B4R0.2 CCCCCl A11494 [1,0,0,0,0,0|1,0,0]=2 141 B4R0.2 CCCCI A12340 [1,0,0,0,0,0|1,0,0]=2 142 B4R0.2 CCCCN L03575 [1,0,0,0,0,0|1,0,0]=2 143 B4R0.2 CCCCO 22925 [1,0,0,0,0,0|0,0,0]=1 144 B4R0.2 CCCCO 31068 [1,0,0,0,0,0|0,0,0]=1 145 B4R0.2 CCCCO 32443 [1,0,0,0,0,0|0,0,0]=1 146 B4R0.2 CCCCO 41867 [1,0,0,0,0,0|0,0,0]=1 147 B4R0.2 CCCCO L13171 [1,0,0,0,0,0|0,0,0]=1 148 B4R0.2 CCCCS 43421 [1,0,0,0,0,0|0,1,0]=2 149 B4R0.2 CCCC[Mg+] 41676 [1,0,0,0,0,0|1,0,0]=2 150 B4R0.2 CCCC[Mg+] 46117 [1,0,0,0,0,0|1,0,0]=2 151 B4R0.2 CCCC[O-] 33496 [1,0,0,0,0,0|0,0,1]=2 152 B4R0.2 CCCC[O-] 36570 [1,0,0,0,0,0|0,0,1]=2 153 B4R0.2 CCCC[O-] 40816 [1,0,0,0,0,0|0,0,1]=2 154 B4R0.2 CCCC[O-] 43295 [1,0,0,0,0,0|0,0,1]=2 155 B4R0.2 CCCC[O-] 44209 [1,0,0,0,0,0|0,0,1]=2 156 B4R0.2 CCCC[O-] 77124 [1,0,0,0,0,0|0,0,1]=2 157 B4R0.2 CCCC[O-] 87754 [1,0,0,0,0,0|0,0,1]=2 158 B4R0.2 CCCC[O-] B23317 [1,0,0,0,0,0|0,0,1]=2 159 B4R0.2 CCCC[Sn+3] 71125 [1,0,0,0,0,0|1,0,0]=2 160 B4R0.2 CCCC[Zn+] H58121 [1,0,0,0,0,0|1,0,0]=2 161 B4R0.2 CCCNC A16903 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.2 CCCSC L09346 [1,0,0,0,0,0|1,0,0]=2 163 B4R0.2 CCN=C=O B25180 [1,0,0,0,0,0|1,0,2]=4 164 B4R0.2 CCN=C=S A19492 [1,0,0,0,0,0|1,1,1]=4 165 B4R0.2 CCNCC A10452 [1,0,0,0,0,0|1,0,0]=2 166 B4R0.2 CCNCC A11716 [1,0,0,0,0,0|1,0,0]=2 167 B4R0.2 CCNCC A13637 [1,0,0,0,0,0|1,0,0]=2 168 B4R0.2 CCOC#C A14245 [1,0,0,0,0,0|0,1,2]=4 169 B4R0.2 CCOC=C A15691 [1,0,0,0,0,0|0,1,2]=4 170 B4R0.2 CCOC=O A11113 [1,0,0,0,0,0|0,1,2]=4 171 B4R0.2 CCOCC 16767 [1,0,0,0,0,0|0,1,0]=2 172 B4R0.2 CCOCC 33224 [1,0,0,0,0,0|0,1,0]=2 173 B4R0.2 CCOCC 38990 [1,0,0,0,0,0|0,1,0]=2 174 B4R0.2 CCOCC 40976 [1,0,0,0,0,0|0,1,0]=2 175 B4R0.2 CCOCC 41796 [1,0,0,0,0,0|0,1,0]=2 176 B4R0.2 CCOCC A15275 [1,0,0,0,0,0|0,1,0]=2 177 B4R0.2 CCOCC H33678 [1,0,0,0,0,0|0,1,0]=2 178 B4R0.2 CCOCC L15481 [1,0,0,0,0,0|0,1,0]=2 179 B4R0.2 CCSCC 10482 [1,0,0,0,0,0|0,0,0]=1 180 B4R0.2 CCSCC 10484 [1,0,0,0,0,0|0,0,0]=1 181 B4R0.2 CCSCC L03493 [1,0,0,0,0,0|0,0,0]=1 182 B4R0.2 CC[Al+]CC 87625 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.2 CC[Al+]CC 89035 [1,0,0,0,0,0|1,0,0]=2 184 B4R0.2 CC[N-]CC 40445 [1,0,0,0,0,0|1,0,0]=2 185 B4R0.2 CC[N-]CC 42759 [1,0,0,0,0,0|1,0,0]=2 186 B4R0.2 CC[N-]CC 42855 [1,0,0,0,0,0|1,0,0]=2 187 B4R0.2 CC[N-]CC 43419 [1,0,0,0,0,0|1,0,0]=2 188 B4R0.2 CC[SiH2]CC L16468 [1,0,0,0,0,0|1,0,0]=2 189 B4R0.2 CC[Sn+2]CC 71155 [1,0,0,0,0,0|1,0,0]=2 190 B4R0.2 CC[Zn]CC 39564 [1,0,0,0,0,0|1,0,0]=2 191 B4R0.2 CC[Zn]CC 44880 [1,0,0,0,0,0|1,0,0]=2 192 B4R0.2 CC[Zn]CC 89038 [1,0,0,0,0,0|1,0,0]=2 193 B4R0.2 CC\C=C\C A17736 [1,0,0,0,0,0|1,0,1]=3 194 B4R0.2 CC\C=C\C L09421 [1,0,0,0,0,0|1,0,1]=3 195 B4R0.2 CNCC#N H55215 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 CNCC=C H27551 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.2 CNCCN A12165 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.2 CNCCO B23180 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.2 COCC=C 18652 [1,0,0,0,0,0|1,1,1]=4 200 B4R0.2 COCCBr A15370 [1,0,0,0,0,0|1,1,0]=3 201 B4R0.2 COCCCl B24081 [1,0,0,0,0,0|1,1,0]=3 202 B4R0.2 COCCN B22924 [1,0,0,0,0,0|1,1,0]=3 203 B4R0.2 COCCO 31733 [1,0,0,0,0,0|0,1,0]=2 204 B4R0.2 COCCO 32444 [1,0,0,0,0,0|0,1,0]=2 205 B4R0.2 COCCO A17459 [1,0,0,0,0,0|0,1,0]=2 206 B4R0.2 COCC[O-] 40471 [1,0,0,0,0,0|0,1,1]=3 207 B4R0.2 COCC[O-] 41237 [1,0,0,0,0,0|0,1,1]=3 208 B4R0.2 COCC[O-] 41256 [1,0,0,0,0,0|0,1,1]=3 209 B4R0.2 COCC[O-] 41793 [1,0,0,0,0,0|0,1,1]=3 210 B4R0.2 COCC[O-] 42377 [1,0,0,0,0,0|0,1,1]=3 211 B4R0.2 COCC[O-] 42378 [1,0,0,0,0,0|0,1,1]=3 212 B4R0.2 COCC[O-] 42522 [1,0,0,0,0,0|0,1,1]=3 213 B4R0.2 COCC[O-] 42819 [1,0,0,0,0,0|0,1,1]=3 214 B4R0.2 COCC[O-] 43903 [1,0,0,0,0,0|0,1,1]=3 215 B4R0.2 COCC[O-] A13292 [1,0,0,0,0,0|0,1,1]=3 216 B4R0.2 COCOC A12055 [1,0,0,0,0,0|2,1,0]=4 217 B4R0.2 CSCC#N L03066 [1,0,0,0,0,0|1,0,1]=3 218 B4R0.2 CSCC=C B22514 [1,0,0,0,0,0|1,0,1]=3 219 B4R0.2 CSCCN B22941 [1,0,0,0,0,0|1,0,0]=2 220 B4R0.2 CSCCO L05442 [1,0,0,0,0,0|0,0,0]=1 221 B4R0.2 CSCSC A19706 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.2 CSSSC H32913 [1,0,0,0,0,0|2,0,0]=3 223 B4R0.2 C\C=C\CO A10681 [1,0,0,0,0,0|0,0,2]=3 224 B4R0.2 C\C=C\C[Mg+] H51171 [1,0,0,0,0,0|1,0,2]=4 225 B4R0.2 [Li]CCCC 41248 [1,0,0,0,0,0|1,0,0]=2 226 B4R0.2 [Li]CCCC 43314 [1,0,0,0,0,0|1,0,0]=2 227 B4R0.2 [Li]CCCC 44109 [1,0,0,0,0,0|1,0,0]=2 228 B4R0.2 [Li]CCCC 47107 [1,0,0,0,0,0|1,0,0]=2 229 B4R0.2 [Li]CCCC H66688 [1,0,0,0,0,0|1,0,0]=2 230 B4R0.2 [Li]CCCC L13559 [1,0,0,0,0,0|1,0,0]=2 231 B4R0.2 [Li]CCCC L14775 [1,0,0,0,0,0|1,0,0]=2 232 B6R0.1 C(C(=O)NCO)Cl A12247 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.1 C(CO)C(CO)O L05138 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.1 C(CO)[C@@H](CO)O L20258 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.1 CCC(=O)CC#N H50789 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.1 CCC(=O)OCC 15498 [0,1,0,0,0,0|1,1,1]=4 237 B6R0.1 CCC(=O)OCC A16650 [0,1,0,0,0,0|1,1,1]=4 238 B6R0.1 CCC(=O)SCC B24918 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.1 CCC(C#CC)O L09727 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.1 CCC(C)CCO B22356 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.1 CCC(CC#C)O L05437 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.1 CCCC(=O)CC B20791 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.1 CCCC(=O)OC L04250 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.1 CCCC(=O)SC B22144 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.1 CCCC(C#C)O L11549 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.1 CCCC(C)C#C L09296 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.1 CCCC(C)C=O B24199 [0,1,0,0,0,0|1,0,2]=4 248 B6R0.1 CCCC(C=C)O A19672 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.1 CCCC(CC)Br L00818 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.1 CCCC(CC)O B20210 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.1 CCCC(CC)[Zn+] H58535 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.1 CCC\C(=N\O)\N H50888 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.1 CCOC(=O)CBr A10448 [0,1,0,0,0,0|1,1,1]=4 254 B6R0.1 CCOC(=O)CCl A15554 [0,1,0,0,0,0|1,1,1]=4 255 B6R0.1 CCOC(=O)CF H61340 [0,1,0,0,0,0|1,1,1]=4 256 B6R0.1 CCOC(=O)CI B24177 [0,1,0,0,0,0|1,1,1]=4 257 B6R0.1 CCOC(=O)CN A10315 [0,1,0,0,0,0|1,1,1]=4 258 B6R0.1 CCOC(=O)CO 41475 [0,1,0,0,0,0|0,1,1]=3 259 B6R0.1 CCOC(=O)CS A14321 [0,1,0,0,0,0|0,2,1]=4 260 B6R0.1 CCO\C(=N\O)\C A11006 [0,1,0,0,0,0|1,1,1]=4 261 B6R0.1 CNCC(CO)O L12653 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.1 COC(=O)CCBr L14127 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.1 COC(=O)CCN H27483 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.1 COC(=O)CCS B20718 [0,1,0,0,0,0|2,1,0]=4 265 B6R0.1 COCC(CCl)O L16239 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.1 COCC(CO)O L08011 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.4 B(CCCC)(O)O A13725 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.4 C(CC(=O)O)CBr A12870 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.4 C(CC(=O)O)CN A11016 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.4 C(COS(=O)O)O H60133 [0,1,0,0,0,0|2,1,0]=4 271 B6R0.4 C(CSC(=N)N)N L14232 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.4 CC(=CCCBr)C L19406 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.4 CC(=O)CCCCl A10269 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.4 CC(=O)NCCCl A11802 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.4 CC(=O)NCCN L13398 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.4 CC(=O)NCCO A18638 [0,1,0,0,0,0|1,0,1]=3 277 B6R0.4 CC(C)CCC#C L06014 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.4 CC(C)CCC=C B20719 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.4 CC(C)NCCN B23391 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.4 CC(C)OCCO L13241 [0,1,0,0,0,0|0,1,0]=2 281 B6R0.4 CC(C)SCCO L05312 [0,1,0,0,0,0|0,0,0]=1 282 B6R0.4 CC(CCCBr)Br L09842 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.4 CCC#CC(=O)O H53411 [0,1,0,0,0,0|1,0,2]=4 284 B6R0.4 CCC#CC(C)O L11576 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.4 CCCCC(=O)C A14867 [0,1,0,0,0,0|1,0,2]=4 286 B6R0.4 CCCCC(=O)Cl B22637 [0,1,0,0,0,0|1,0,2]=4 287 B6R0.4 CCCCC(=O)N L14601 [0,1,0,0,0,0|1,0,2]=4 288 B6R0.4 CCCCC(=O)O A16238 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.4 CCCCC(C)Br L03364 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.4 CCCCC(C)O L05993 [0,1,0,0,0,0|1,0,0]=2 291 B6R0.4 CCCCC(C)[Zn+] H58543 [0,1,0,0,0,0|2,0,0]=3 292 B6R0.4 CCCC[C@@H](C)N L19304 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.4 CCCC[C@H](C)N L19305 [0,1,0,0,0,0|2,0,0]=3 294 B6R0.4 CCCC[C@H](C)O L10401 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.4 CCCC[Sn](=O)O A18290 [0,1,0,0,0,0|2,0,0]=3 296 B6R0.4 CCCNC(C)C H50256 [0,1,0,0,0,0|2,0,0]=3 297 B6R0.4 CCCOC(=O)C L15355 [0,1,0,0,0,0|1,1,1]=4 298 B6R0.4 CCCSC(=O)C B21875 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.4 CCOCC(=O)Cl H34443 [0,1,0,0,0,0|0,1,2]=4 300 B6R0.4 CCOCC(=O)O B24194 [0,1,0,0,0,0|0,1,1]=3 301 B6R0.4 CCOCC(C)O 43306 [0,1,0,0,0,0|0,1,0]=2 302 B6R0.4 CCSCC(=O)C L04142 [0,1,0,0,0,0|0,0,2]=3 303 B6R0.4 CCSCC(=O)O L04743 [0,1,0,0,0,0|0,0,1]=2 304 B6R0.4 CC\C=C\C(=O)O A12689 [0,1,0,0,0,0|1,0,2]=4 305 B6R0.4 CN(C)CCCCl A15459 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.4 CN(C)CCCCl H65371 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.4 CN(C)CCCN L03539 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.4 CN(C)CCCO A12800 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.4 CSCCC(=O)O L12861 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.6 C#CCCCCCl H53476 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.6 C#CCCCCO 43370 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.6 C(CBr)OCCBr L11510 [0,1,0,0,0,0|1,1,0]=3 313 B6R0.6 C(CCBr)CC#N L03952 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.6 C(CCBr)CCBr A18465 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.6 C(CCCl)CC#N L01413 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.6 C(CCCl)CCBr B20479 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.6 C(CCCl)CCCl A12433 [0,1,0,0,0,0|2,0,0]=3 318 B6R0.6 C(CCCl)CCI L04469 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.6 C(CCCl)CC[Zn+] H58957 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.6 C(CCF)CCBr H64806 [0,1,0,0,0,0|2,0,0]=3 321 B6R0.6 C(CCI)CCI A17298 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.6 C(CCN)CCN B23039 [0,1,0,0,0,0|2,0,0]=3 323 B6R0.6 C(CCN)CCO H33954 [0,1,0,0,0,0|1,0,0]=2 324 B6R0.6 C(CCN)CCO L01979 [0,1,0,0,0,0|1,0,0]=2 325 B6R0.6 C(CCO)CCCl L12088 [0,1,0,0,0,0|1,0,0]=2 326 B6R0.6 C(CCO)CCO A13998 [0,1,0,0,0,0|1,0,0]=2 327 B6R0.6 C(CCS)CCS B25665 [0,1,0,0,0,0|1,1,0]=3 328 B6R0.6 C(CC[Zn+])CC#N H58897 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.6 C(CCl)NCCCl A13118 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.6 C(CCl)OCCCl A14234 [0,1,0,0,0,0|1,1,0]=3 331 B6R0.6 C(CNCCN)N A11033 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.6 C(CNCCO)N A10833 [0,1,0,0,0,0|1,0,0]=2 333 B6R0.6 C(CO)NCCO A13389 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.6 C(COCCCl)O A13074 [0,1,0,0,0,0|0,1,0]=2 335 B6R0.6 C(COCCN)N 46833 [0,1,0,0,0,0|1,1,0]=3 336 B6R0.6 C(COCCN)N 46903 [0,1,0,0,0,0|1,1,0]=3 337 B6R0.6 C(COCCN)N 46973 [0,1,0,0,0,0|1,1,0]=3 338 B6R0.6 C(COCCO)N L18897 [0,1,0,0,0,0|0,1,0]=2 339 B6R0.6 C(COCCO)O A14728 [0,1,0,0,0,0|0,1,0]=2 340 B6R0.6 C(CSCCS)S B22304 [0,1,0,0,0,0|0,1,0]=2 341 B6R0.6 C=CCCCCBr L12909 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.6 C=CCCCCCl H53396 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.6 C=CCCCCO A15766 [0,1,0,0,0,0|1,0,1]=3 344 B6R0.6 C=CCCCC[Zn+] H58622 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.6 C=CCSCC=C L10971 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.6 CCCC#CCC H53504 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.6 CCCC#CCO A13339 [0,1,0,0,0,0|1,0,1]=3 348 B6R0.6 CCCCC#CC B21528 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.6 CCCCCC#C A11130 [0,1,0,0,0,0|2,0,0]=3 350 B6R0.6 CCCCCC=C L11487 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.6 CCCCCC=O A16265 [0,1,0,0,0,0|1,0,1]=3 352 B6R0.6 CCCCCCBr A15166 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.6 CCCCCCC 22911 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.6 CCCCCCC 32441 [0,1,0,0,0,0|2,0,0]=3 355 B6R0.6 CCCCCCC 40978 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.6 CCCCCCC 44457 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.6 CCCCCCC 47191 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.6 CCCCCCC A19894 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.6 CCCCCCC H33987 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.6 CCCCCCCl B22379 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.6 CCCCCCI A13784 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.6 CCCCCCN A15663 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.6 CCCCCCO A18232 [0,1,0,0,0,0|1,0,0]=2 364 B6R0.6 CCCCCCS L09659 [0,1,0,0,0,0|1,1,0]=3 365 B6R0.6 CCCCCC[Mg+] H51167 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.6 CCCCCC[Zn+] H58384 [0,1,0,0,0,0|2,0,0]=3 367 B6R0.6 CCCCCNC L04882 [0,1,0,0,0,0|2,0,0]=3 368 B6R0.6 CCCCN=C=O L05664 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.6 CCCCN=C=S A10935 [0,1,0,0,0,0|1,1,1]=4 370 B6R0.6 CCCCNCC B22881 [0,1,0,0,0,0|2,0,0]=3 371 B6R0.6 CCCCOC=C B23673 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.6 CCCCOC=O A13882 [0,1,0,0,0,0|1,0,2]=4 373 B6R0.6 CCCCOCC A17963 [0,1,0,0,0,0|1,1,0]=3 374 B6R0.6 CCCCON=O H56501 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.6 CCCNCCC L15808 [0,1,0,0,0,0|2,0,0]=3 376 B6R0.6 CCCNCCN L03517 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.6 CCCOCCC B21423 [0,1,0,0,0,0|1,1,0]=3 378 B6R0.6 CCCSCCC B23155 [0,1,0,0,0,0|1,0,0]=2 379 B6R0.6 CCCSCCO L12528 [0,1,0,0,0,0|0,0,0]=1 380 B6R0.6 CCC\C=C/CO A13734 [0,1,0,0,0,0|1,0,1]=3 381 B6R0.6 CCC\C=C\CC B25297 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.6 CCC\C=C\CC H53482 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.6 CCC\C=C\CO A13272 [0,1,0,0,0,0|1,0,1]=3 384 B6R0.6 CCOCCC#N A14243 [0,1,0,0,0,0|1,1,0]=3 385 B6R0.6 CCOCCCN B23694 [0,1,0,0,0,0|1,1,0]=3 386 B6R0.6 CCOCCOC B20819 [0,1,0,0,0,0|0,1,0]=2 387 B6R0.6 CCOCOCC B23134 [0,1,0,0,0,0|1,1,0]=3 388 B6R0.6 CCSCCCO B22710 [0,1,0,0,0,0|0,0,0]=1 389 B6R0.6 CC\C=C/CCO A10313 [0,1,0,0,0,0|1,0,0]=2 390 B6R0.6 CC\C=C\CCO L10541 [0,1,0,0,0,0|1,0,0]=2 391 B6R0.6 CC\C=C\OCC H26720 [0,1,0,0,0,0|1,1,1]=4 392 B6R0.6 CNCCCNC A16901 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.6 COCCCCO H50339 [0,1,0,0,0,0|1,0,0]=2 394 B6R0.6 COCCN=C=S L10839 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.6 COCCOCCl L01050 [0,1,0,0,0,0|1,1,0]=3 396 B6R0.6 CSCCCCO B22673 [0,1,0,0,0,0|1,0,0]=2 397 B6R0.6 CSCCCSC B22397 [0,1,0,0,0,0|2,1,0]=4 398 B6R0.6 CSCSCSC H26435 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.6 C\C=C/CCCO A19266 [0,1,0,0,0,0|1,0,1]=3 400 B6R0.6 C\C=C\C=C\CO A12660 [0,1,0,0,0,0|1,0,2]=4 401 B6R0.6 C\C=C\CCCO H54459 [0,1,0,0,0,0|1,0,1]=3 402 B6R0.6 [Li]CCCCCC 47271 [0,1,0,0,0,0|2,0,0]=3 403 B6R0.6 [Li]CCCCCC L15102 [0,1,0,0,0,0|2,0,0]=3 404 B6R1.1 C1CC=COC1 L02731 [0,0,0,1,0,0|1,0,2]=4 405 B6R1.1 C1CCC=CC1 A11359 [0,0,0,1,0,0|2,0,1]=4 406 B6R1.1 C1CCCCC1 22864 [0,0,0,1,0,0|2,0,0]=3 407 B6R1.1 C1CCCCC1 22919 [0,0,0,1,0,0|2,0,0]=3 408 B6R1.1 C1CCCCC1 40975 [0,0,0,1,0,0|2,0,0]=3 409 B6R1.1 C1CCCCC1 A16070 [0,0,0,1,0,0|2,0,0]=3 410 B6R1.1 C1CCCCC1 H26081 [0,0,0,1,0,0|2,0,0]=3 411 B6R1.1 C1CCNCC1 A12442 [0,0,0,1,0,0|2,0,0]=3 412 B6R1.1 C1CCNCC1 A13243 [0,0,0,1,0,0|2,0,0]=3 413 B6R1.1 C1CCOCC1 A13392 [0,0,0,1,0,0|1,0,0]=2 414 B6R1.1 C1CCSCC1 L03063 [0,0,0,1,0,0|1,0,0]=2 415 B6R1.1 C1CNCCN1 A11487 [0,0,0,1,0,0|2,0,0]=3 416 B6R1.1 C1CNCCN1 A15049 [0,0,0,1,0,0|2,0,0]=3 417 B6R1.1 C1CNCCN1 A16050 [0,0,0,1,0,0|2,0,0]=3 418 B6R1.1 C1CNCCN1 A18520 [0,0,0,1,0,0|2,0,0]=3 419 B6R1.1 C1CNCCN1 H37069 [0,0,0,1,0,0|2,0,0]=3 420 B6R1.1 C1CNCCN1 L19359 [0,0,0,1,0,0|2,0,0]=3 421 B6R1.1 C1COC=CO1 H33597 [0,0,0,1,0,0|0,1,2]=4 422 B6R1.1 C1COCCN1 31984 [0,0,0,1,0,0|1,0,0]=2 423 B6R1.1 C1COCCN1 A10355 [0,0,0,1,0,0|1,0,0]=2 424 B6R1.1 C1COCCN1 L15110 [0,0,0,1,0,0|1,0,0]=2 425 B6R1.1 C1COCCO1 22913 [0,0,0,1,0,0|0,1,0]=2 426 B6R1.1 C1COCCO1 39118 [0,0,0,1,0,0|0,1,0]=2 427 B6R1.1 C1COCCO1 43167 [0,0,0,1,0,0|0,1,0]=2 428 B6R1.1 C1COCCO1 43821 [0,0,0,1,0,0|0,1,0]=2 429 B6R1.1 C1COCCO1 A14188 [0,0,0,1,0,0|0,1,0]=2 430 B6R1.1 C1COCOC1 H54107 [0,0,0,1,0,0|2,0,0]=3 431 B6R1.1 C1CSCCN1 A15958 [0,0,0,1,0,0|1,0,0]=2 432 B6R1.1 C1CSCCN1 L19470 [0,0,0,1,0,0|1,0,0]=2 433 B6R1.1 C1CSCCO1 A18052 [0,0,0,1,0,0|0,0,0]=1 434 B6R1.1 C1CSCSC1 A10505 [0,0,0,1,0,0|2,0,0]=3 435 B6R1.1 C1OCOCO1 A15639 [0,0,0,1,0,0|3,0,0]=4 436 B6R1.2 C1CC(=O)OC1 A16314 [0,0,0,1,0,0|2,0,1]=4 437 B6R1.2 C1CCC(=O)C1 A14222 [0,0,0,1,0,0|1,0,2]=4 438 B6R1.2 C1CCC(C1)Br A15455 [0,0,0,1,0,0|2,0,0]=3 439 B6R1.2 C1CCC(C1)Cl B25023 [0,0,0,1,0,0|2,0,0]=3 440 B6R1.2 C1CCC(C1)I L01522 [0,0,0,1,0,0|2,0,0]=3 441 B6R1.2 C1CCC(C1)N L01966 [0,0,0,1,0,0|2,0,0]=3 442 B6R1.2 C1CCC(C1)O A15249 [0,0,0,1,0,0|1,0,0]=2 443 B6R1.2 C1CCC(C1)S 39539 [0,0,0,1,0,0|1,1,0]=3 444 B6R1.2 C1CCC(C1)S L03577 [0,0,0,1,0,0|1,1,0]=3 445 B6R1.2 C1CCC(C1)[Mg+] H51166 [0,0,0,1,0,0|2,0,0]=3 446 B6R1.2 C1CCC(C1)[Zn+] H58764 [0,0,0,1,0,0|2,0,0]=3 447 B6R1.2 C1CCS(=O)C1 A17502 [0,0,0,1,0,0|2,0,1]=4 448 B6R1.2 C1CNCC1Br H66833 [0,0,0,1,0,0|2,0,0]=3 449 B6R1.2 C1CNCC1O H64975 [0,0,0,1,0,0|1,0,0]=2 450 B6R1.2 C1CNC[C@@H]1F H26947 [0,0,0,1,0,0|2,0,0]=3 451 B6R1.2 C1CNC[C@@H]1N L11173 [0,0,0,1,0,0|2,0,0]=3 452 B6R1.2 C1CNC[C@@H]1O H52743 [0,0,0,1,0,0|1,0,0]=2 453 B6R1.2 C1CNC[C@@H]1O L19499 [0,0,0,1,0,0|1,0,0]=2 454 B6R1.2 C1CNC[C@H]1F H27536 [0,0,0,1,0,0|2,0,0]=3 455 B6R1.2 C1CNC[C@H]1N L12222 [0,0,0,1,0,0|2,0,0]=3 456 B6R1.2 C1CNC[C@H]1N L19500 [0,0,0,1,0,0|2,0,0]=3 457 B6R1.2 C1CNC[C@H]1O H52815 [0,0,0,1,0,0|1,0,0]=2 458 B6R1.2 C1CNC[C@H]1O L19498 [0,0,0,1,0,0|1,0,0]=2 459 B6R1.2 C1COC(=O)N1 A14543 [0,0,0,1,0,0|2,0,1]=4 460 B6R1.2 C1COC(=O)O1 A15735 [0,0,0,1,0,0|1,1,1]=4 461 B6R1.2 C1COCC1=O H66940 [0,0,0,1,0,0|0,1,2]=4 462 B6R1.2 C1COC[C@@H]1O H56307 [0,0,0,1,0,0|0,1,0]=2 463 B6R1.2 C1COC[C@H]1N H66034 [0,0,0,1,0,0|1,1,0]=3 464 B6R1.2 C1COC[C@H]1O H56476 [0,0,0,1,0,0|0,1,0]=2 465 B6R1.2 C1COP(O1)Cl A12724 [0,0,0,1,0,0|2,1,0]=4 466 B6R1.2 C1CSC(=N1)N L02018 [0,0,0,1,0,0|2,0,1]=4 467 B6R1.2 C1CSC(=N1)S L04924 [0,0,0,1,0,0|2,0,1]=4 468 B6R1.2 C1CSCC1=O A11002 [0,0,0,1,0,0|0,0,2]=3 469 B6R1.2 CC1=CCCC1 A18816 [0,0,0,1,0,0|2,0,1]=4 470 B6R1.2 CC1=NCCC1 44853 [0,0,0,1,0,0|2,0,1]=4 471 B6R1.2 CC1=NCCN1 A15113 [0,0,0,1,0,0|2,0,1]=4 472 B6R1.2 CC1=NCCO1 B24612 [0,0,0,1,0,0|1,0,1]=3 473 B6R1.2 CC1=NCCS1 L01329 [0,0,0,1,0,0|1,0,1]=3 474 B6R1.2 CC1CCCC1 L03988 [0,0,0,1,0,0|2,0,0]=3 475 B6R1.2 CC1CCCN1 31902 [0,0,0,1,0,0|2,0,0]=3 476 B6R1.2 CC1CCCO1 L07356 [0,0,0,1,0,0|1,0,0]=2 477 B6R1.2 CC1CCCS1 43456 [0,0,0,1,0,0|1,0,0]=2 478 B6R1.2 CC1NCCS1 B22537 [0,0,0,1,0,0|1,0,0]=2 479 B6R1.2 CC1OCCO1 A12824 [0,0,0,1,0,0|0,1,0]=2 480 B6R1.2 CC1SCCS1 B23372 [0,0,0,1,0,0|0,1,0]=2 481 B6R1.2 CN1CCCC1 B23799 [0,0,0,1,0,0|3,0,0]=4 482 B6R1.2 C[C@@H]1CCCN1 H57885 [0,0,0,1,0,0|2,0,0]=3 483 B6R1.3 C1CC1CC#N L11950 [0,0,0,1,0,0|2,0,1]=4 484 B6R1.3 C1CC1CCO L11080 [0,0,0,1,0,0|1,0,0]=2 485 B6R1.6 C1C(CN1)CO H57801 [0,0,0,1,0,0|2,0,0]=3 486 B6R1.6 C1C(CO1)CN H66510 [0,0,0,1,0,0|3,0,0]=4 487 B6R1.6 C1C(CO1)CO H66333 [0,0,0,1,0,0|2,0,0]=3 488 B6R1.6 C1CC(C1)C#N A10309 [0,0,0,1,0,0|2,0,1]=4 489 B6R1.6 C1CC(C1)CO B21480 [0,0,0,1,0,0|1,0,0]=2 490 B6R1.6 C1COC1CBr H66276 [0,0,0,1,0,0|1,1,0]=3 491 B6R1.6 C1COC1CI H66525 [0,0,0,1,0,0|1,1,0]=3 492 B6R1.6 C1COC1CO H66218 [0,0,0,1,0,0|0,1,0]=2 493 B6R1.8 CC1CC1CO H27337 [0,0,0,1,0,0|1,0,0]=2 494 B3R0.1 C#CCO A10295 [2,0,0,0,0,0|0,0,2]=4 495 B3R0.1 C(CBr)Br A12766 [2,0,0,0,0,0|2,0,0]=4 496 B3R0.1 C(CBr)Cl A12349 [2,0,0,0,0,0|2,0,0]=4 497 B3R0.1 C(CBr)N A17625 [2,0,0,0,0,0|2,0,0]=4 498 B3R0.1 C(CBr)O A10275 [2,0,0,0,0,0|1,0,0]=3 499 B3R0.1 C(CCl)Cl 22918 [2,0,0,0,0,0|2,0,0]=4 500 B3R0.1 C(CCl)Cl 32462 [2,0,0,0,0,0|2,0,0]=4 501 B3R0.1 C(CCl)Cl 39121 [2,0,0,0,0,0|2,0,0]=4 502 B3R0.1 C(CCl)Cl A12775 [2,0,0,0,0,0|2,0,0]=4 503 B3R0.1 C(CCl)Cl H37962 [2,0,0,0,0,0|2,0,0]=4 504 B3R0.1 C(CCl)N A14455 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.1 C(CCl)O 36636 [2,0,0,0,0,0|1,0,0]=3 506 B3R0.1 C(CF)O L01735 [2,0,0,0,0,0|1,0,0]=3 507 B3R0.1 C(CI)Cl L10742 [2,0,0,0,0,0|2,0,0]=4 508 B3R0.1 C(CI)I L03019 [2,0,0,0,0,0|2,0,0]=4 509 B3R0.1 C(CI)O A14658 [2,0,0,0,0,0|1,0,0]=3 510 B3R0.1 C(CN)N 10496 [2,0,0,0,0,0|2,0,0]=4 511 B3R0.1 C(CN)N 10497 [2,0,0,0,0,0|2,0,0]=4 512 B3R0.1 C(CN)N 10553 [2,0,0,0,0,0|2,0,0]=4 513 B3R0.1 C(CN)N 24127 [2,0,0,0,0,0|2,0,0]=4 514 B3R0.1 C(CN)N 39280 [2,0,0,0,0,0|2,0,0]=4 515 B3R0.1 C(CN)N 39667 [2,0,0,0,0,0|2,0,0]=4 516 B3R0.1 C(CN)N A12132 [2,0,0,0,0,0|2,0,0]=4 517 B3R0.1 C(CN)N A13563 [2,0,0,0,0,0|2,0,0]=4 518 B3R0.1 C(CN)N A17211 [2,0,0,0,0,0|2,0,0]=4 519 B3R0.1 C(CN)N L12401 [2,0,0,0,0,0|2,0,0]=4 520 B3R0.1 C(CO)N 22793 [2,0,0,0,0,0|1,0,0]=3 521 B3R0.1 C(CO)N 36260 [2,0,0,0,0,0|1,0,0]=3 522 B3R0.1 C(CO)N A11697 [2,0,0,0,0,0|1,0,0]=3 523 B3R0.1 C(CO)N L14322 [2,0,0,0,0,0|1,0,0]=3 524 B3R0.1 C(CO)O 44529 [2,0,0,0,0,0|0,1,0]=3 525 B3R0.1 C(CO)O A11591 [2,0,0,0,0,0|0,1,0]=3 526 B3R0.1 C(CP)P 39279 [2,0,0,0,0,0|2,0,0]=4 527 B3R0.1 C(CS)N A14377 [2,0,0,0,0,0|1,0,0]=3 528 B3R0.1 C(CS)O A15890 [2,0,0,0,0,0|0,0,0]=2 529 B3R0.1 C(CS)S L12865 [2,0,0,0,0,0|0,1,0]=3 530 B3R0.1 C=CCO A15026 [2,0,0,0,0,0|0,0,2]=4 531 B3R0.1 C=CCS A13616 [2,0,0,0,0,0|1,0,1]=4 532 B3R0.1 CC#CC A13823 [2,0,0,0,0,0|0,0,2]=4 533 B3R0.1 CCC#N A13203 [2,0,0,0,0,0|1,0,1]=4 534 B3R0.1 CCC=O A16146 [2,0,0,0,0,0|0,0,2]=4 535 B3R0.1 CCCBr A10461 [2,0,0,0,0,0|1,0,0]=3 536 B3R0.1 CCCI A14388 [2,0,0,0,0,0|1,0,0]=3 537 B3R0.1 CCCN 36635 [2,0,0,0,0,0|1,0,0]=3 538 B3R0.1 CCCN A11606 [2,0,0,0,0,0|1,0,0]=3 539 B3R0.1 CCCO 22932 [2,0,0,0,0,0|0,0,0]=2 540 B3R0.1 CCCO 22933 [2,0,0,0,0,0|0,0,0]=2 541 B3R0.1 CCCO 41465 [2,0,0,0,0,0|0,0,0]=2 542 B3R0.1 CCCO 41842 [2,0,0,0,0,0|0,0,0]=2 543 B3R0.1 CCCO 43848 [2,0,0,0,0,0|0,0,0]=2 544 B3R0.1 CCCO A19902 [2,0,0,0,0,0|0,0,0]=2 545 B3R0.1 CCCS 43420 [2,0,0,0,0,0|0,1,0]=3 546 B3R0.1 CCC[Mg+] H51162 [2,0,0,0,0,0|1,0,0]=3 547 B3R0.1 CCC[O-] 22989 [2,0,0,0,0,0|0,0,1]=3 548 B3R0.1 CCC[O-] 36571 [2,0,0,0,0,0|0,0,1]=3 549 B3R0.1 CCC[O-] 44673 [2,0,0,0,0,0|0,0,1]=3 550 B3R0.1 CCC[O-] 44770 [2,0,0,0,0,0|0,0,1]=3 551 B3R0.1 CCC[S-] H66135 [2,0,0,0,0,0|0,1,0]=3 552 B3R0.1 CCC[Zn+] H58119 [2,0,0,0,0,0|1,0,0]=3 553 B3R0.1 CCNC L04372 [2,0,0,0,0,0|1,0,0]=3 554 B3R0.1 CCSC L02859 [2,0,0,0,0,0|0,0,0]=2 555 B3R0.1 CNOC A17469 [2,0,0,0,0,0|1,1,0]=4 556 B3R0.1 COCBr L09837 [2,0,0,0,0,0|1,1,0]=4 557 B3R0.1 CSC#N H27879 [2,0,0,0,0,0|1,0,1]=4 558 B3R0.1 CSCCl L10858 [2,0,0,0,0,0|1,0,0]=3 559 B3R0.1 CSSC L09679 [2,0,0,0,0,0|1,0,0]=3 560 B3R0.1 C[Se][Se]C 68119 [2,0,0,0,0,0|1,1,0]=4 561 B3R0.1 C\C=N\O A10640 [2,0,0,0,0,0|1,0,1]=4 562 B5R0.1 B(CCC)(O)O L19965 [1,1,0,0,0,0|1,0,0]=3 563 B5R0.1 C(CBr)C(=O)O A11573 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.1 C(CCl)C(=O)O B21744 [1,1,0,0,0,0|1,0,1]=4 565 B5R0.1 C(CI)C(=O)O L02655 [1,1,0,0,0,0|1,0,1]=4 566 B5R0.1 C(CN)C(=O)O A16665 [1,1,0,0,0,0|1,0,1]=4 567 B5R0.1 C(CO)[N+](=O)[O-] A17681 [1,1,0,0,0,0|2,0,0]=4 568 B5R0.1 C(CS)C(=O)O A13261 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.1 C=C(CCO)Br H34119 [1,1,0,0,0,0|0,0,2]=4 570 B5R0.1 CC#CC(C)C H53442 [1,1,0,0,0,0|1,0,1]=4 571 B5R0.1 CC(=C)CCO B23398 [1,1,0,0,0,0|0,0,1]=3 572 B5R0.1 CC(=CCO)C A16089 [1,1,0,0,0,0|0,0,2]=4 573 B5R0.1 CC(=CCO)C H36436 [1,1,0,0,0,0|0,0,2]=4 574 B5R0.1 CC(=O)CCO L11456 [1,1,0,0,0,0|0,0,1]=3 575 B5R0.1 CC(=O)CSC B24149 [1,1,0,0,0,0|0,0,2]=4 576 B5R0.1 CC(=O)NCO A13820 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.1 CC(C)CC#C L05537 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.1 CC(C)CC=C 33029 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.1 CC(C)CC=C L03372 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.1 CC(C)CC=O A19640 [1,1,0,0,0,0|0,0,2]=4 581 B5R0.1 CC(C)CCBr A14492 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.1 CC(C)CCCl L11371 [1,1,0,0,0,0|1,0,0]=3 583 B5R0.1 CC(C)CCI L05194 [1,1,0,0,0,0|1,0,0]=3 584 B5R0.1 CC(C)CCN L02260 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.1 CC(C)CCO 36716 [1,1,0,0,0,0|0,0,0]=2 586 B5R0.1 CC(C)CCO L13660 [1,1,0,0,0,0|0,0,0]=2 587 B5R0.1 CC(C)CCS L09661 [1,1,0,0,0,0|0,1,0]=3 588 B5R0.1 CC(C)CC[Zn+] H58436 [1,1,0,0,0,0|1,0,0]=3 589 B5R0.1 CC(C)CNC 42947 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.1 CC(C)CNN H64287 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.1 CC(CC#C)O L02752 [1,1,0,0,0,0|0,0,2]=4 592 B5R0.1 CC(CC=C)O B20208 [1,1,0,0,0,0|0,0,2]=4 593 B5R0.1 CC(CCBr)Br B24123 [1,1,0,0,0,0|1,0,0]=3 594 B5R0.1 CC(CCO)O A11684 [1,1,0,0,0,0|0,0,0]=2 595 B5R0.1 CC(COC)O 41547 [1,1,0,0,0,0|0,1,0]=3 596 B5R0.1 CC(COC)O L12694 [1,1,0,0,0,0|0,1,0]=3 597 B5R0.1 CC(COC)[O-] 41257 [1,1,0,0,0,0|0,1,1]=4 598 B5R0.1 CCCC(=C)C H53373 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.1 CCCC(=O)C L13262 [1,1,0,0,0,0|0,0,2]=4 600 B5R0.1 CCCC(=O)Cl A17575 [1,1,0,0,0,0|0,0,2]=4 601 B5R0.1 CCCC(=O)N A12494 [1,1,0,0,0,0|0,0,2]=4 602 B5R0.1 CCCC(=O)O L13189 [1,1,0,0,0,0|0,0,1]=3 603 B5R0.1 CCCC(=O)[O-] A11079 [1,1,0,0,0,0|0,0,2]=4 604 B5R0.1 CCCC(C)Br A17205 [1,1,0,0,0,0|1,0,0]=3 605 B5R0.1 CCCC(C)C L03001 [1,1,0,0,0,0|1,0,0]=3 606 B5R0.1 CCCC(C)O B21217 [1,1,0,0,0,0|0,0,0]=2 607 B5R0.1 CCCC(C)[Zn+] H58078 [1,1,0,0,0,0|1,0,0]=3 608 B5R0.1 CCCP(Cl)Cl 18329 [1,1,0,0,0,0|2,0,0]=4 609 B5R0.1 CCC[C@H](C)O L09314 [1,1,0,0,0,0|0,0,0]=2 610 B5R0.1 CCC[N+](=O)[O-] A11975 [1,1,0,0,0,0|1,0,1]=4 611 B5R0.1 CCNC(=O)C L10300 [1,1,0,0,0,0|1,0,1]=4 612 B5R0.1 CCNC(C)C L04089 [1,1,0,0,0,0|1,0,0]=3 613 B5R0.1 CCOC(=N)C A18618 [1,1,0,0,0,0|0,1,1]=4 614 B5R0.1 CCOC(=O)C 22912 [1,1,0,0,0,0|0,1,1]=4 615 B5R0.1 CCOC(=O)C 31344 [1,1,0,0,0,0|0,1,1]=4 616 B5R0.1 CCOC(=O)C 39177 [1,1,0,0,0,0|0,1,1]=4 617 B5R0.1 CCOC(=O)C 40977 [1,1,0,0,0,0|0,1,1]=4 618 B5R0.1 CCOC(=O)C L10925 [1,1,0,0,0,0|0,1,1]=4 619 B5R0.1 CCO[SiH](C)C L16475 [1,1,0,0,0,0|0,2,0]=4 620 B5R0.1 CCO[SiH](C)C L16476 [1,1,0,0,0,0|0,2,0]=4 621 B5R0.1 CCSC(=O)C A10680 [1,1,0,0,0,0|0,0,1]=3 622 B5R0.1 CN(C)CCCl A15134 [1,1,0,0,0,0|2,0,0]=4 623 B5R0.1 CN(C)CCN B20182 [1,1,0,0,0,0|2,0,0]=4 624 B5R0.1 CN(C)CCO B23616 [1,1,0,0,0,0|1,0,0]=3 625 B5R0.1 CNCC(=O)O A14594 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.1 CNCC(=O)O B25536 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.1 COCC(=O)O B22917 [1,1,0,0,0,0|0,1,1]=4 628 B5R0.1 CSCC(=O)O B22531 [1,1,0,0,0,0|0,0,1]=3 629 B5R0.1 CSCS(=O)C L00510 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.1 C[C@@H](CC=C)O B25728 [1,1,0,0,0,0|0,0,2]=4 631 B5R0.1 C[C@@H](COC)N L16325 [1,1,0,0,0,0|1,1,0]=4 632 B5R0.1 C[C@H](CC=C)O B25659 [1,1,0,0,0,0|0,0,2]=4 633 B5R0.1 C[C@H](CCO)O B25124 [1,1,0,0,0,0|0,0,0]=2 634 B5R0.3 C(C(CBr)Br)Br L03752 [1,1,0,0,0,0|2,0,0]=4 635 B5R0.3 C(C(CCl)Cl)Cl L04312 [1,1,0,0,0,0|2,0,0]=4 636 B5R0.3 C(C(CCl)Cl)O A18444 [1,1,0,0,0,0|1,0,0]=3 637 B5R0.3 C(C(CCl)O)Cl A16003 [1,1,0,0,0,0|2,0,0]=4 638 B5R0.3 C(C(CCl)O)F L17286 [1,1,0,0,0,0|2,0,0]=4 639 B5R0.3 C(C(CCl)O)O A16143 [1,1,0,0,0,0|1,0,0]=3 640 B5R0.3 C(C(CF)O)F L01646 [1,1,0,0,0,0|2,0,0]=4 641 B5R0.3 C(C(CN)O)N A19618 [1,1,0,0,0,0|2,0,0]=4 642 B5R0.3 C(C(CO)N)O B25419 [1,1,0,0,0,0|1,0,0]=3 643 B5R0.3 C(C(CO)N)O L08426 [1,1,0,0,0,0|1,0,0]=3 644 B5R0.3 C(C(CO)O)N B22672 [1,1,0,0,0,0|1,0,0]=3 645 B5R0.3 C(C(CO)O)O 32450 [1,1,0,0,0,0|1,0,0]=3 646 B5R0.3 C(C(CO)O)O 36646 [1,1,0,0,0,0|1,0,0]=3 647 B5R0.3 C(C(CO)O)O 38988 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.3 C(C(CO)O)O A16205 [1,1,0,0,0,0|1,0,0]=3 649 B5R0.3 C(C(CO)O)O J61059 [1,1,0,0,0,0|1,0,0]=3 650 B5R0.3 C(C(CO)O)O J62399 [1,1,0,0,0,0|1,0,0]=3 651 B5R0.3 C(C(CO)O)O J64719 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.3 C(C(CS)O)O A18948 [1,1,0,0,0,0|1,0,0]=3 653 B5R0.3 C(C(CS)S)O L03953 [1,1,0,0,0,0|1,0,0]=3 654 B5R0.3 C([C@@H](CCl)O)O L18556 [1,1,0,0,0,0|1,0,0]=3 655 B5R0.3 C([C@@H](CO)O)N H26743 [1,1,0,0,0,0|1,0,0]=3 656 B5R0.3 C([C@H](CCl)O)O L18555 [1,1,0,0,0,0|1,0,0]=3 657 B5R0.3 CCC(=C)CC L11553 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.3 CCC(=O)CBr L12081 [1,1,0,0,0,0|1,0,1]=4 659 B5R0.3 CCC(=O)CC A15297 [1,1,0,0,0,0|1,0,0]=3 660 B5R0.3 CCC(=O)OC A14944 [1,1,0,0,0,0|2,0,0]=4 661 B5R0.3 CCC(C#C)O B24853 [1,1,0,0,0,0|1,0,1]=4 662 B5R0.3 CCC(C)C=C L11525 [1,1,0,0,0,0|1,0,1]=4 663 B5R0.3 CCC(C)C=O A19650 [1,1,0,0,0,0|0,0,2]=4 664 B5R0.3 CCC(C)CBr H27078 [1,1,0,0,0,0|1,0,0]=3 665 B5R0.3 CCC(C)CC L03133 [1,1,0,0,0,0|1,0,0]=3 666 B5R0.3 CCC(C)CO B21825 [1,1,0,0,0,0|0,0,0]=2 667 B5R0.3 CCC(C)CS B21949 [1,1,0,0,0,0|0,1,0]=3 668 B5R0.3 CCC(C)NC H27547 [1,1,0,0,0,0|2,0,0]=4 669 B5R0.3 CCC(C)OC H53427 [1,1,0,0,0,0|1,1,0]=4 670 B5R0.3 CCC(C)SC B21942 [1,1,0,0,0,0|1,0,0]=3 671 B5R0.3 CCC(C=C)O B20155 [1,1,0,0,0,0|1,0,1]=4 672 B5R0.3 CCC(CBr)Br B20356 [1,1,0,0,0,0|1,0,0]=3 673 B5R0.3 CCC(CC)Br L13576 [1,1,0,0,0,0|1,0,0]=3 674 B5R0.3 CCC(CC)N L02250 [1,1,0,0,0,0|1,0,0]=3 675 B5R0.3 CCC(CC)O L06065 [1,1,0,0,0,0|1,0,0]=3 676 B5R0.3 CCC(CC)[Zn+] H58214 [1,1,0,0,0,0|1,0,0]=3 677 B5R0.3 CCC(CCl)Cl B21307 [1,1,0,0,0,0|1,0,0]=3 678 B5R0.3 CCC(CO)N B24398 [1,1,0,0,0,0|0,0,0]=2 679 B5R0.3 CCN(CC)O B23302 [1,1,0,0,0,0|1,0,0]=3 680 B5R0.3 CCP(=O)CC H27768 [1,1,0,0,0,0|1,0,0]=3 681 B5R0.3 CCP(CC)Cl 30204 [1,1,0,0,0,0|1,0,0]=3 682 B5R0.3 CC[C@@H](CO)N L11449 [1,1,0,0,0,0|0,0,0]=2 683 B5R0.3 CC[C@H](C)CN L14063 [1,1,0,0,0,0|1,0,0]=3 684 B5R0.3 CC[C@H](CO)N B25212 [1,1,0,0,0,0|0,0,0]=2 685 B5R0.3 CC\C(=N\O)\C L08196 [1,1,0,0,0,0|1,0,1]=4 686 B5R0.3 CC\C(=N\O)\N H50889 [1,1,0,0,0,0|1,0,1]=4 687 B5R0.3 COC(=O)CO A17870 [1,1,0,0,0,0|0,1,1]=4 688 B7R0.2 CC(C)C[C@@H](CO)N B23745 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.2 CC(C)C[C@H](CO)N L13243 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.2 CC(C)OC(=O)CO H50334 [0,2,0,0,0,0|0,1,1]=4 691 B7R0.2 CCC(C)CC(=O)O A18886 [0,2,0,0,0,0|1,0,1]=4 692 B7R0.2 C[C@@H](CC(=O)OC)O L19996 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.2 C[C@H](CC(=O)OC)O L14151 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.3 CCC(=O)SCC=C B22532 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.3 CCC(CCC=C)O B20128 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.3 CCCCC(=O)CC A16977 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.3 CCCCC(=O)OC B24828 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.3 CCCCC(C#C)O L05330 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.3 CCCCC(C)CC L12006 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.3 CCCCC(C=C)O A14651 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.3 CCCCC(CC)Br L04427 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.3 CCCCC(CC)[Zn+] H58866 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.3 CCCCC(CO)O L06864 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.3 CCCOC(=O)CC B20680 [0,2,0,0,0,0|1,1,0]=4 705 B7R0.3 CC\C(=C\CCBr)\C L19407 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.3 CSCC[C@@H](CO)N B24211 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.5 CCCC(C(=O)O)Br L07047 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.5 CCCC(C(=O)O)N A15900 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.5 CCCC(C)C(=O)O A13873 [0,2,0,0,0,0|1,0,1]=4 710 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [0,2,0,0,0,0|1,0,1]=4 711 B7R0.5 CCC[C@H](C(=O)O)N B23444 [0,2,0,0,0,0|1,0,1]=4 712 B7R0.5 CCOC(=O)C(C)O A10900 [0,2,0,0,0,0|0,1,1]=4 713 B7R0.7 CC(CCBr)CCBr B20521 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.7 CC(CCO)CCO B20546 [0,2,0,0,0,0|1,0,0]=3 715 B7R0.7 CCCC(=O)CCC B21222 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.7 CCCC(=O)OCC L06025 [0,2,0,0,0,0|1,1,0]=4 717 B7R0.7 CCCC(CC=C)O B20591 [0,2,0,0,0,0|2,0,0]=4 718 B7R0.7 CCCC(CCC)Br H60807 [0,2,0,0,0,0|2,0,0]=4 719 B7R0.7 CCCC(CCC)Br L04807 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.7 CCCC(CCC)[Zn+] H58039 [0,2,0,0,0,0|2,0,0]=4 721 B7R0.7 CCCC(CCO)S B21965 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.7 CCCN(C)CCC H65077 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.7 CCOC(=O)CCBr A12402 [0,2,0,0,0,0|1,1,0]=4 724 B7R0.7 CCOC(=O)CCCl B23907 [0,2,0,0,0,0|1,1,0]=4 725 B7R0.7 CCOC(=O)CCN A17277 [0,2,0,0,0,0|1,1,0]=4 726 B7R0.7 CCOC(=O)CC[Zn+] H26739 [0,2,0,0,0,0|1,1,0]=4 727 B7R0.7 CCOC(=O)COC A18770 [0,2,0,0,0,0|0,1,1]=4 728 B7R0.7 CCOC(C)OCC A13701 [0,2,0,0,0,0|1,1,0]=4 729 B7R0.7 CN(CCCl)CCCl H55066 [0,2,0,0,0,0|2,0,0]=4 730 B7R0.7 CN(CCO)CCO L15712 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.10 C(C(C(CO)Br)Br)O B25260 [0,2,0,0,0,0|2,0,0]=4 732 B7R0.10 C([C@H]([C@H](CO)O)O)O A15813 [0,2,0,0,0,0|2,0,0]=4 733 B7R0.10 CCC(C)C(C)CC H53498 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.10 CC[C@H](C)[C@@H](CO)N H60556 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.10 COC(=O)C(CO)Cl H27623 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.10 COC(=O)C(CO)N A13904 [0,2,0,0,0,0|2,0,0]=4 737 B7R0.10 COC(=O)[C@@H](CO)N H63685 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.10 COC(=O)[C@H](CO)N A12355 [0,2,0,0,0,0|2,0,0]=4 739 B7R0.10 C[C@@H](CO)C(=O)OC 44483 [0,2,0,0,0,0|2,0,0]=4 740 B7R0.11 CC(C)(CCO)OC L15953 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.11 CCCC(C)(CC)Cl B20277 [0,2,0,0,0,0|2,0,0]=4 742 B7R0.11 CCCC(C)(CC)O L04625 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.11 CCS(=O)(=O)CCO B20180 [0,2,0,0,0,0|0,0,1]=3 744 B7R0.12 CCCC(CO)CO B22152 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.12 CCN(CC)CCCl A15107 [0,2,0,0,0,0|2,0,0]=4 746 B7R0.12 CCN(CC)CCN A19636 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.12 CCN(CC)CCO A16274 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.12 CCN(CC)CCO A16569 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.4 C(CCBr)CC(=O)O A11765 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.4 C(CCN)CC(=O)O A15043 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.4 C(CCN)CC(=O)O B24788 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.4 C(COCC(=O)O)N H52289 [0,2,0,0,0,0|0,1,1]=4 753 B7R0.4 CC(=O)CCCCCl H53462 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.4 CC(C)CCCCBr L09486 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.4 CC(C)CCCCCl B20133 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.4 CC(C)OCCCN B23748 [0,2,0,0,0,0|1,1,0]=4 757 B7R0.4 CCC#CCC(C)O L11292 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.4 CCCCCC(=O)C A10200 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.4 CCCCCC(=O)Cl B23027 [0,2,0,0,0,0|1,0,1]=4 760 B7R0.4 CCCCCC(=O)N H25929 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.4 CCCCCC(=O)O A13789 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.4 CCCCCC(C)C H26220 [0,2,0,0,0,0|2,0,0]=4 763 B7R0.4 CCCCCC(C)N B22863 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.4 CCCCCC(C)N L08596 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.4 CCCCCC(C)O A18391 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.4 CCCCCC(C)[Zn+] H58890 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.4 CCCCC[C@@H](C)N L19306 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.4 CCCCC[C@H](C)N L19307 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.4 CCCCC[C@H](C)O 33795 [0,2,0,0,0,0|1,0,0]=3 770 B7R0.4 CCNCCN(C)C L03180 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.4 CC\C=C\CC(=O)O A13428 [0,2,0,0,0,0|1,0,1]=4 772 B7R0.4 CN(C)CCCCN H50276 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.4 CN(C)CCCCN H51139 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.4 C\C=C\CCC(=O)O L02724 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.6 CC(C#CC(C)O)O B20653 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.6 CC(C)CCC(=O)O A15405 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.6 CC(C)CCC(C)C A15221 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.6 CC(C)CCC(C)N L08638 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.6 CC(CCC(C)Br)Br L12581 [0,2,0,0,0,0|2,0,0]=4 780 B7R0.6 CC(CCC(C)O)O B25470 [0,2,0,0,0,0|1,0,0]=3 781 B7R0.6 C[C@@H](CC[C@H](C)O)O B25539 [0,2,0,0,0,0|1,0,0]=3 782 B7R0.8 C(CC(F)(F)F)CO B21460 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.8 CCCCC(C)(C)C 41895 [0,2,0,0,0,0|2,0,0]=4 784 B7R0.8 CCCCC(C)(C)Cl B20183 [0,2,0,0,0,0|2,0,0]=4 785 B7R0.8 CCCCP(=O)(O)O A17983 [0,2,0,0,0,0|2,0,0]=4 786 B7R0.1 C#CCCCCCO H61509 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.1 C(CCC#N)CCBr A10400 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.1 C(CCC#N)CCN H27804 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.1 C(CCC#N)CC[Zn+] H58480 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.1 C(CCCBr)CCBr A13417 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.1 C(CCCBr)CCCl B21619 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.1 C(CCCBr)CCO B21803 [0,2,0,0,0,0|1,0,0]=3 793 B7R0.1 C(CCCCl)CCCl B21763 [0,2,0,0,0,0|2,0,0]=4 794 B7R0.1 C(CCCCl)CCO A14582 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.1 C(CCCI)CCCl L05198 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.1 C(CCCI)CCI A15368 [0,2,0,0,0,0|2,0,0]=4 797 B7R0.1 C(CCCN)CCN A14212 [0,2,0,0,0,0|2,0,0]=4 798 B7R0.1 C(CCCO)CCN L14157 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.1 C(CCCO)CCO A12439 [0,2,0,0,0,0|1,0,0]=3 800 B7R0.1 C(CCCS)CCS L06686 [0,2,0,0,0,0|1,1,0]=4 801 B7R0.1 C(CCC[Zn+])CCCl H58330 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.1 C(CN)CNCCBr H60309 [0,2,0,0,0,0|2,0,0]=4 803 B7R0.1 C(CN)CNCCN A19108 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.1 C(CSSCCN)N B22873 [0,2,0,0,0,0|1,0,0]=3 805 B7R0.1 C(CSSCCO)O L11800 [0,2,0,0,0,0|0,0,0]=2 806 B7R0.1 C=CCCCCCBr H64127 [0,2,0,0,0,0|2,0,0]=4 807 B7R0.1 CCC#CCOCC H25960 [0,2,0,0,0,0|1,0,1]=4 808 B7R0.1 CCCC#CCCC 43157 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.1 CCCC#CCCO B20884 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.1 CCCCC#CCO A14959 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.1 CCCCCC#CC A10197 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.1 CCCCCCC#C A12440 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.1 CCCCCCC#N A12326 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.1 CCCCCCC=C A11146 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.1 CCCCCCC=O B23830 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.1 CCCCCCCBr A14031 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.1 CCCCCCCC A13181 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.1 CCCCCCCI B24206 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.1 CCCCCCCN A17922 [0,2,0,0,0,0|2,0,0]=4 820 B7R0.1 CCCCCCCO A12793 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.1 CCCCCCCS L07079 [0,2,0,0,0,0|1,1,0]=4 822 B7R0.1 CCCCCCC[Mg+] H51173 [0,2,0,0,0,0|2,0,0]=4 823 B7R0.1 CCCCCCC[Zn+] H58840 [0,2,0,0,0,0|2,0,0]=4 824 B7R0.1 CCCCCCOC A17207 [0,2,0,0,0,0|1,0,0]=3 825 B7R0.1 CCCCCN=C=O L13399 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.1 CCCCCN=C=S A14972 [0,2,0,0,0,0|1,1,0]=4 827 B7R0.1 CCCCC\C=C\C L03862 [0,2,0,0,0,0|2,0,0]=4 828 B7R0.1 CCCCC\C=C\C L12606 [0,2,0,0,0,0|2,0,0]=4 829 B7R0.1 CCCCNCCN L13437 [0,2,0,0,0,0|2,0,0]=4 830 B7R0.1 CCCCOCC=C H53408 [0,2,0,0,0,0|2,0,0]=4 831 B7R0.1 CCCCOCCO A17976 [0,2,0,0,0,0|0,1,0]=3 832 B7R0.1 CCCCSN#CC B22336 [0,2,0,0,0,0|1,0,1]=4 833 B7R0.1 CCCC\C=C\CC 43154 [0,2,0,0,0,0|2,0,0]=4 834 B7R0.1 CCCC\C=C\CO A11750 [0,2,0,0,0,0|1,0,0]=3 835 B7R0.1 CCCSSCCC L09881 [0,2,0,0,0,0|1,0,0]=3 836 B7R0.1 CCC\C=C/CCC 43156 [0,2,0,0,0,0|2,0,0]=4 837 B7R0.1 CCC\C=C/CCO A19172 [0,2,0,0,0,0|1,0,0]=3 838 B7R0.1 CCC\C=C\CCC 43155 [0,2,0,0,0,0|2,0,0]=4 839 B7R0.1 CCNCCNCC A17113 [0,2,0,0,0,0|2,0,0]=4 840 B7R0.1 CCOCCOCC L14283 [0,2,0,0,0,0|0,1,0]=3 841 B7R0.1 CC\C=C/CCCO A16596 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.1 CC\C=C\C=C\CO 15765 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.1 COCCOCCBr L05406 [0,2,0,0,0,0|0,1,0]=3 844 B7R0.1 COCCOCCO A16063 [0,2,0,0,0,0|0,1,0]=3 845 B5R1.1 C1CC=CC1 41461 [1,0,0,1,0,0|1,0,1]=4 846 B5R1.1 C1CC=CC1 A11027 [1,0,0,1,0,0|1,0,1]=4 847 B5R1.1 C1CCCC1 44814 [1,0,0,1,0,0|1,0,0]=3 848 B5R1.1 C1CCCC1 A14697 [1,0,0,1,0,0|1,0,0]=3 849 B5R1.1 C1CCNC1 A14852 [1,0,0,1,0,0|1,0,0]=3 850 B5R1.1 C1CCOC1 22904 [1,0,0,1,0,0|0,0,0]=2 851 B5R1.1 C1CCOC1 30760 [1,0,0,1,0,0|0,0,0]=2 852 B5R1.1 C1CCOC1 32468 [1,0,0,1,0,0|0,0,0]=2 853 B5R1.1 C1CCOC1 38994 [1,0,0,1,0,0|0,0,0]=2 854 B5R1.1 C1CCOC1 39460 [1,0,0,1,0,0|0,0,0]=2 855 B5R1.1 C1CCOC1 39550 [1,0,0,1,0,0|0,0,0]=2 856 B5R1.1 C1CCOC1 39594 [1,0,0,1,0,0|0,0,0]=2 857 B5R1.1 C1CCOC1 41819 [1,0,0,1,0,0|0,0,0]=2 858 B5R1.1 C1CCOC1 41820 [1,0,0,1,0,0|0,0,0]=2 859 B5R1.1 C1CCOC1 42254 [1,0,0,1,0,0|0,0,0]=2 860 B5R1.1 C1CCOC1 43291 [1,0,0,1,0,0|0,0,0]=2 861 B5R1.1 C1CCOC1 44505 [1,0,0,1,0,0|0,0,0]=2 862 B5R1.1 C1CCOC1 44608 [1,0,0,1,0,0|0,0,0]=2 863 B5R1.1 C1CCOC1 47122 [1,0,0,1,0,0|0,0,0]=2 864 B5R1.1 C1CCOC1 L13304 [1,0,0,1,0,0|0,0,0]=2 865 B5R1.1 C1CCOC1 L13961 [1,0,0,1,0,0|0,0,0]=2 866 B5R1.1 C1CCOC1 L17593 [1,0,0,1,0,0|0,0,0]=2 867 B5R1.1 C1CCSC1 L13908 [1,0,0,1,0,0|0,0,0]=2 868 B5R1.1 C1COC=C1 B20575 [1,0,0,1,0,0|0,0,2]=4 869 B5R1.1 C1COCO1 42897 [1,0,0,1,0,0|0,1,0]=3 870 B5R1.1 C1CSCN1 H26427 [1,0,0,1,0,0|1,0,0]=3 871 B5R1.2 C1C(CN1)F H59454 [1,0,0,1,0,0|2,0,0]=4 872 B5R1.2 C1C(CN1)N H59318 [1,0,0,1,0,0|2,0,0]=4 873 B5R1.2 C1C(CN1)O H25842 [1,0,0,1,0,0|1,0,0]=3 874 B5R1.2 C1C(CO1)Br H57437 [1,0,0,1,0,0|1,1,0]=4 875 B5R1.2 C1C(CO1)I H57302 [1,0,0,1,0,0|1,1,0]=4 876 B5R1.2 C1C(CO1)N H57248 [1,0,0,1,0,0|1,1,0]=4 877 B5R1.2 C1C(CO1)O H57928 [1,0,0,1,0,0|0,1,0]=3 878 B5R1.2 C1CC(=O)C1 A13068 [1,0,0,1,0,0|0,0,2]=4 879 B5R1.2 C1CC(C1)Br A12817 [1,0,0,1,0,0|1,0,0]=3 880 B5R1.2 C1CC(C1)Cl A12561 [1,0,0,1,0,0|1,0,0]=3 881 B5R1.2 C1CC(C1)N A13423 [1,0,0,1,0,0|1,0,0]=3 882 B5R1.2 C1CC(C1)N B25400 [1,0,0,1,0,0|1,0,0]=3 883 B5R1.2 C1CC(C1)O A12430 [1,0,0,1,0,0|0,0,0]=2 884 B5R1.2 C1CC(C1)[Zn+] H58247 [1,0,0,1,0,0|1,0,0]=3 885 B5R1.2 C1COC1=O B23197 [1,0,0,1,0,0|1,0,1]=4 886 B5R1.3 C#CC1CC1 H53440 [1,0,0,1,0,0|1,0,1]=4 887 B5R1.3 C1C(O1)CCl A15823 [1,0,0,1,0,0|1,0,0]=3 888 B5R1.3 C1CC1C#N A11125 [1,0,0,1,0,0|1,0,1]=4 889 B5R1.3 C1CC1C=O L14931 [1,0,0,1,0,0|0,0,2]=4 890 B5R1.3 C1CC1CBr L01122 [1,0,0,1,0,0|1,0,0]=3 891 B5R1.3 C1CC1CCl L06986 [1,0,0,1,0,0|1,0,0]=3 892 B5R1.3 C1CC1CI H35309 [1,0,0,1,0,0|1,0,0]=3 893 B5R1.3 C1CC1CN A13946 [1,0,0,1,0,0|1,0,0]=3 894 B5R1.3 C1CC1CN L13353 [1,0,0,1,0,0|1,0,0]=3 895 B5R1.3 C1CC1CO A12567 [1,0,0,1,0,0|0,0,0]=2 896 B5R1.3 C1[C@@H](O1)CCl L14198 [1,0,0,1,0,0|1,0,0]=3 897 B5R1.3 C1[C@@H](O1)CO H63502 [1,0,0,1,0,0|0,1,0]=3 898 B5R1.3 C1[C@H](O1)CCl L14298 [1,0,0,1,0,0|1,0,0]=3 899 B5R1.3 C=CC1CO1 L00238 [1,0,0,1,0,0|0,0,2]=4 900 B5R1.3 CC[C@@H]1CO1 H58579 [1,0,0,1,0,0|0,0,0]=2 901 B5R1.3 CC[C@H]1CO1 H58104 [1,0,0,1,0,0|0,0,0]=2 902 B5R1.4 C[C@@H]1[C@@H](O1)C L10320 [1,0,0,1,0,0|0,1,0]=3 903 B5R1.4 C[C@H]1[C@@H](O1)C B22005 [1,0,0,1,0,0|0,1,0]=3 904 B7R1.1 C#CC1CCCC1 H53483 [0,1,0,1,0,0|2,0,0]=4 905 B7R1.1 C1CC(NC1)CO H62322 [0,1,0,1,0,0|1,0,0]=3 906 B7R1.1 C1CC(OC1)CBr A15192 [0,1,0,1,0,0|1,0,0]=3 907 B7R1.1 C1CC(OC1)CCl B24015 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.1 C1CC(OC1)CN B23068 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.1 C1CC(OC1)CO A17078 [0,1,0,1,0,0|0,1,0]=3 910 B7R1.1 C1CCC(=NO)C1 B24961 [0,1,0,1,0,0|1,0,1]=4 911 B7R1.1 C1CCC(C1)C#N A17710 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.1 C1CCC(C1)C=O H56609 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.1 C1CCC(C1)CI B25391 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.1 C1CCC(C1)CO A11595 [0,1,0,1,0,0|1,0,0]=3 915 B7R1.1 C1CNCC1CO H57225 [0,1,0,1,0,0|1,0,0]=3 916 B7R1.1 C1CNC[C@@H]1CO H57871 [0,1,0,1,0,0|1,0,0]=3 917 B7R1.1 C1CNC[C@H]1CO H57199 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.1 C1COC(O1)CBr A19312 [0,1,0,1,0,0|0,1,0]=3 919 B7R1.1 C1COC(O1)C[Zn+] H58702 [0,1,0,1,0,0|0,1,0]=3 920 B7R1.1 C1C[C@@H](NC1)CN H66198 [0,1,0,1,0,0|2,0,0]=4 921 B7R1.1 C1C[C@@H](NC1)CO L11109 [0,1,0,1,0,0|1,0,0]=3 922 B7R1.1 C1C[C@@H](OC1)CN L14410 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.1 C1C[C@@H](OC1)CO L19044 [0,1,0,1,0,0|0,1,0]=3 924 B7R1.1 C1C[C@H](NC1)CO L09779 [0,1,0,1,0,0|1,0,0]=3 925 B7R1.1 C1C[C@H](OC1)CN L10790 [0,1,0,1,0,0|1,0,0]=3 926 B7R1.1 C=CC1CCCC1 H26230 [0,1,0,1,0,0|2,0,0]=4 927 B7R1.1 CCC1=NCCO1 B23287 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.1 COC1CCCC1 H27349 [0,1,0,1,0,0|1,0,0]=3 929 B7R1.2 C1C(COC1=O)O L20257 [0,1,0,1,0,0|0,1,1]=4 930 B7R1.2 C1[C@@H](CNC1=O)O H66455 [0,1,0,1,0,0|1,0,1]=4 931 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,1,0,1,0,0|0,1,1]=4 932 B7R1.2 C1[C@H](CNC1=O)O H66006 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.2 C1[C@H](COC1=O)O L20255 [0,1,0,1,0,0|0,1,1]=4 934 B7R1.2 CC1CCC(=O)C1 L04940 [0,1,0,1,0,0|2,0,0]=4 935 B7R1.2 CC1CCC(=O)O1 A18872 [0,1,0,1,0,0|1,0,1]=4 936 B7R1.2 CN1CCC(C1)Br H66250 [0,1,0,1,0,0|2,0,0]=4 937 B7R1.2 CN1CCC(C1)O H28122 [0,1,0,1,0,0|1,0,0]=3 938 B7R1.2 CN1CC[C@@H](C1)O L19695 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.2 CN1CC[C@H](C1)O L19694 [0,1,0,1,0,0|1,0,0]=3 940 B7R1.3 C1CC(CNC1)F L19776 [0,1,0,1,0,0|2,0,0]=4 941 B7R1.3 C1CC(CNC1)N H57306 [0,1,0,1,0,0|2,0,0]=4 942 B7R1.3 C1CC(CNC1)O H55983 [0,1,0,1,0,0|1,0,0]=3 943 B7R1.3 C1CC(CNC1)O L01333 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.3 C1CCC(=O)CC1 33309 [0,1,0,1,0,0|1,0,1]=4 945 B7R1.3 C1CCC(=O)CC1 A15607 [0,1,0,1,0,0|1,0,1]=4 946 B7R1.3 C1CCC(CC1)Br 31031 [0,1,0,1,0,0|2,0,0]=4 947 B7R1.3 C1CCC(CC1)Br A11593 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.3 C1CCC(CC1)Cl L04349 [0,1,0,1,0,0|2,0,0]=4 949 B7R1.3 C1CCC(CC1)F L13015 [0,1,0,1,0,0|2,0,0]=4 950 B7R1.3 C1CCC(CC1)I B24840 [0,1,0,1,0,0|2,0,0]=4 951 B7R1.3 C1CCC(CC1)N A15851 [0,1,0,1,0,0|2,0,0]=4 952 B7R1.3 C1CCC(CC1)N A17308 [0,1,0,1,0,0|2,0,0]=4 953 B7R1.3 C1CCC(CC1)N A18439 [0,1,0,1,0,0|2,0,0]=4 954 B7R1.3 C1CCC(CC1)O A17576 [0,1,0,1,0,0|1,0,0]=3 955 B7R1.3 C1CCC(CC1)S 39540 [0,1,0,1,0,0|1,1,0]=4 956 B7R1.3 C1CCC(CC1)S B21656 [0,1,0,1,0,0|1,1,0]=4 957 B7R1.3 C1CCC(CC1)[Mg+] H51165 [0,1,0,1,0,0|2,0,0]=4 958 B7R1.3 C1CCC(CC1)[Zn+] H58852 [0,1,0,1,0,0|2,0,0]=4 959 B7R1.3 C1CCN(CC1)N B25746 [0,1,0,1,0,0|2,0,0]=4 960 B7R1.3 C1CCN(CC1)N L14078 [0,1,0,1,0,0|2,0,0]=4 961 B7R1.3 C1CCOC(=O)C1 L04794 [0,1,0,1,0,0|1,0,1]=4 962 B7R1.3 C1CNCCC1=O A13726 [0,1,0,1,0,0|1,0,1]=4 963 B7R1.3 C1CNCCC1F H25755 [0,1,0,1,0,0|2,0,0]=4 964 B7R1.3 C1CNCCC1N L20127 [0,1,0,1,0,0|2,0,0]=4 965 B7R1.3 C1CNCCC1O B22723 [0,1,0,1,0,0|1,0,0]=3 966 B7R1.3 C1COCCC1=O A19010 [0,1,0,1,0,0|1,0,0]=3 967 B7R1.3 C1COCCN1N B21381 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.3 C1CSCCC1=O A15872 [0,1,0,1,0,0|0,0,1]=3 969 B7R1.3 C1C[C@@H](CNC1)N H27700 [0,1,0,1,0,0|2,0,0]=4 970 B7R1.3 C1C[C@H](CNC1)N H27683 [0,1,0,1,0,0|2,0,0]=4 971 B7R1.3 C1C[C@H](CNC1)O H56847 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.3 CC1=CCCCC1 L15014 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.3 CC1CCCCC1 31861 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.3 CC1CCCCC1 A16057 [0,1,0,1,0,0|2,0,0]=4 975 B7R1.3 CC1CCCCN1 L02567 [0,1,0,1,0,0|2,0,0]=4 976 B7R1.3 CC1CCCNC1 L13408 [0,1,0,1,0,0|2,0,0]=4 977 B7R1.3 CC1CCNCC1 L02709 [0,1,0,1,0,0|2,0,0]=4 978 B7R1.3 CC1CNCCN1 B24405 [0,1,0,1,0,0|2,0,0]=4 979 B7R1.3 CC1SCCCS1 L00209 [0,1,0,1,0,0|0,1,0]=3 980 B7R1.3 CN1CCCCC1 L03398 [0,1,0,1,0,0|2,0,0]=4 981 B7R1.3 CN1CCNCC1 A10837 [0,1,0,1,0,0|2,0,0]=4 982 B7R1.3 CN1CCNCC1 H55536 [0,1,0,1,0,0|2,0,0]=4 983 B7R1.3 CN1CCOCC1 A12158 [0,1,0,1,0,0|1,0,0]=3 984 B7R1.3 C[C@@H]1CNCCN1 B22366 [0,1,0,1,0,0|2,0,0]=4 985 B7R1.3 C[C@@H]1CNCCN1 L20074 [0,1,0,1,0,0|2,0,0]=4 986 B7R1.3 C[C@H]1CNCCN1 L14429 [0,1,0,1,0,0|2,0,0]=4 987 B7R1.3 C[C@H]1CNCCN1 L20075 [0,1,0,1,0,0|2,0,0]=4 988 B7R1.4 C1CNC(=O)C1O H57961 [0,1,0,1,0,0|1,0,1]=4 989 B7R1.4 C1CSC(=O)C1N L09077 [0,1,0,1,0,0|1,0,1]=4 990 B7R1.4 CC1C(=O)CCO1 B20890 [0,1,0,1,0,0|1,0,0]=3 991 B7R1.4 CC1C(=O)CCS1 L10083 [0,1,0,1,0,0|0,0,1]=3 992 B7R1.4 CC1CCCC1O A19978 [0,1,0,1,0,0|1,0,0]=3 993 B7R1.21 CCOC1(CC1)Br H35167 [0,1,0,1,0,0|1,1,0]=4 994 B7R1.25 CC1(COC1)CO B25111 [0,1,0,1,0,0|2,0,0]=4 995 B7R1.7 CCCCC1CO1 L07609 [0,1,0,1,0,0|1,0,0]=3 996 B7R1.12 CC1CC1C(=O)O H27815 [0,1,0,1,0,0|1,0,1]=4 997 B7R1.14 C1CNCC1(F)F L19780 [0,1,0,1,0,0|2,0,0]=4 998 B7R1.14 CC1(CCCC1)O B24744 [0,1,0,1,0,0|1,0,0]=3 999 B7R1.14 CC1(OCCO1)C L00482 [0,1,0,1,0,0|0,1,0]=3 1000 B7R1.18 C1CC(C1)C(=O)O A14480 [0,1,0,1,0,0|1,0,1]=4 1001 B7R1.18 C1CN[C@@H]1C(=O)O L09668 [0,1,0,1,0,0|1,0,1]=4 1002 B7R1.20 C1CC1CC(=O)O L09416 [0,1,0,1,0,0|1,0,1]=4 1003 B7R1.23 C1C(C1(F)F)CO H32083 [0,1,0,1,0,0|2,0,0]=4 1004 B7R1.24 C1CCC=CCC1 H29062 [0,1,0,1,0,0|2,0,0]=4 1005 B7R1.24 C1CCCCCC1 B22902 [0,1,0,1,0,0|2,0,0]=4 1006 B7R1.24 C1CCCNCC1 B24007 [0,1,0,1,0,0|2,0,0]=4 1007 B7R1.24 C1CCCOCC1 L09992 [0,1,0,1,0,0|1,0,0]=3 1008 B7R1.24 C1CNCCNC1 A15751 [0,1,0,1,0,0|2,0,0]=4 1009 B7R1.24 C1CNCCOC1 B21749 [0,1,0,1,0,0|1,0,0]=3 1010 B7R2.13 C1CC2C(C1)O2 B20629 [0,0,0,2,0,0|1,0,0]=3 1011 B7R2.1 C1C(O1)C2CO2 L03919 [0,0,0,2,0,0|2,0,0]=4