0 B6R0.1 C(CO)C(CO)O L05138 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 C(CO)[C@@H](CO)O L20258 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 C=CCC(C=C)O L03182 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.1 CC(CC=O)SC B22033 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCC(=O)CC#N H50789 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.1 CCC(=O)OCC 15498 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 CCC(=O)OCC A16650 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 CCC(=O)SCC B24918 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 CCC(=O)\C=C\C H27445 [0,0,0,0,0,0|0,0,4]=4 9 B6R0.1 CCC(C#CC)O L09727 [0,0,0,0,0,0|0,0,2]=2 10 B6R0.1 CCC(C)CCO B22356 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCC(CC#C)O L05437 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.1 CCCC(=O)C=C L07660 [0,0,0,0,0,0|0,0,4]=4 13 B6R0.1 CCCC(=O)CC B20791 [0,0,0,0,0,0|0,0,2]=2 14 B6R0.1 CCCC(=O)NN L01971 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 CCCC(=O)OC L04250 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.1 CCCC(=O)SC B22144 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.1 CCCC(C#C)O L11549 [0,0,0,0,0,0|0,0,2]=2 18 B6R0.1 CCCC(C)C#C L09296 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.1 CCCC(C)C=O B24199 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 CCCC(C=C)O A19672 [0,0,0,0,0,0|0,0,2]=2 21 B6R0.1 CCCC(CC)Br L00818 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.1 CCCC(CC)O B20210 [0,0,0,0,0,0|0,0,0]=0 23 B6R0.1 CCCC(CC)[Zn+] H58535 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.1 CCC\C(=N\O)\N H50888 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CCOC(=O)CBr A10448 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 CCOC(=O)CCl A15554 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.1 CCOC(=O)CF H61340 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.1 CCOC(=O)CI B24177 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.1 CCOC(=O)CN A10315 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.1 CCOC(=O)CO 41475 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.1 CCOC(=O)CS A14321 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.1 CNCC(=O)OC L08572 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.1 CNCC(CO)O L12653 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.1 COC(=O)CCBr L14127 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.1 COC(=O)CCN H27483 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.1 COC(=O)CCS B20718 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 COCC(=O)OC B22528 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.1 COCC(CCl)O L16239 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.1 COCC(CO)O L08011 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 B(CCC)(O)O L19965 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 C(CBr)C(=O)O A11573 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 C(CCl)C(=O)O B21744 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 C(CI)C(=O)O L02655 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 C(CN)C(=O)O A16665 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 C(CS)C(=O)O A13261 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CC#CC(C)C H53442 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 CC(=C)CCO B23398 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CC(=O)CCO L11456 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 CC(=O)CSC B24149 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 CC(C)CC#C L05537 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 CC(C)CC=C 33029 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 CC(C)CC=C L03372 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 CC(C)CC=O A19640 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(C)CCBr A14492 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CC(C)CCCl L11371 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CC(C)CCI L05194 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CC(C)CCN L02260 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CC(C)CCO 36716 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(C)CCO L13660 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CC(C)CCS L09661 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CC(C)CC[Zn+] H58436 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 CC(C)CNC 42947 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CC(C)CNN H64287 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CC(CC#C)O L02752 [1,0,0,0,0,0|0,0,2]=3 65 B5R0.1 CC(CC=C)O B20208 [1,0,0,0,0,0|0,0,2]=3 66 B5R0.1 CC(CCBr)Br B24123 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 CC(CCO)O A11684 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.1 CC(COC)O 41547 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 CC(COC)O L12694 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 CC(COC)[O-] 41257 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.1 CCCC(=C)C H53373 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.1 CCCC(=O)C L13262 [1,0,0,0,0,0|0,0,2]=3 73 B5R0.1 CCCC(=O)Cl A17575 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.1 CCCC(=O)N A12494 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 CCCC(=O)O L13189 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.1 CCCC(=O)[O-] A11079 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 CCCC(C)Br A17205 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.1 CCCC(C)C L03001 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.1 CCCC(C)O B21217 [1,0,0,0,0,0|0,0,0]=1 80 B5R0.1 CCCC(C)[Zn+] H58078 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.1 CCCP(Cl)Cl 18329 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CCC[C@H](C)O L09314 [1,0,0,0,0,0|0,0,0]=1 83 B5R0.1 CCC[N+](=O)[O-] A11975 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CCNC(=O)C L10300 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.1 CCNC(C)C L04089 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 CCOC(=N)C A18618 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 CCOC(=O)C 22912 [1,0,0,0,0,0|1,0,2]=4 88 B5R0.1 CCOC(=O)C 31344 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.1 CCOC(=O)C 39177 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.1 CCOC(=O)C 40977 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.1 CCOC(=O)C L10925 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.1 CCO[SiH](C)C L16475 [1,0,0,0,0,0|2,1,0]=4 93 B5R0.1 CCO[SiH](C)C L16476 [1,0,0,0,0,0|2,1,0]=4 94 B5R0.1 CCSC(=O)C A10680 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.1 CN(C)CCCl A15134 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.1 CN(C)CCN B20182 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.1 CN(C)CCO B23616 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.1 CNCC(=O)O A14594 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 CNCC(=O)O B25536 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 COCC(=O)O B22917 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CSCC(=O)O B22531 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 CSCS(=O)C L00510 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 C[C@@H](CC=C)O B25728 [1,0,0,0,0,0|0,0,2]=3 104 B5R0.1 C[C@@H](COC)N L16325 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 C[C@H](CC=C)O B25659 [1,0,0,0,0,0|0,0,2]=3 106 B5R0.1 C[C@H](CCO)O B25124 [1,0,0,0,0,0|1,0,0]=2 107 B5R0.2 C#CCCCCl L02835 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.2 C#CCCCO A10405 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.2 C(CC#N)CBr A10674 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 C(CC#N)CCl A18942 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 C(CC#N)C[Zn+] H58962 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 C(CCBr)CBr A11669 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.2 C(CCBr)CCl A11399 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.2 C(CCBr)CF H64317 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.2 C(CCBr)CO 16805 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.2 C(CCCl)CCl B21337 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.2 C(CCCl)CO L04042 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.2 C(CCI)CCl L03302 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.2 C(CCI)CI A16216 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 C(CCN)CN A18312 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.2 C(CCN)CN B21316 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.2 C(CCO)CN A12680 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.2 C(CCO)CO L03491 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.2 C(CC[Zn+])CCl H58266 [1,0,0,0,0,0|2,0,0]=3 125 B5R0.2 C=CCCCBr A11219 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.2 C=CCCCO A11178 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.2 C=CCCC[Zn+] H58177 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.2 CC#CCCO L02951 [1,0,0,0,0,0|1,0,2]=4 129 B5R0.2 CCC#CCBr H53433 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.2 CCC#CCC L02682 [1,0,0,0,0,0|0,0,2]=3 131 B5R0.2 CCC#CCO A12999 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.2 CCCC#CC B22405 [1,0,0,0,0,0|0,0,2]=3 133 B5R0.2 CCCCC#C A13156 [1,0,0,0,0,0|0,0,2]=3 134 B5R0.2 CCCCC#N A10306 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.2 CCCCC=C B20271 [1,0,0,0,0,0|0,0,2]=3 136 B5R0.2 CCCCC=O B21389 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.2 CCCCCBr A10821 [1,0,0,0,0,0|1,0,0]=2 138 B5R0.2 CCCCCC 19353 [1,0,0,0,0,0|0,0,0]=1 139 B5R0.2 CCCCCC 32454 [1,0,0,0,0,0|0,0,0]=1 140 B5R0.2 CCCCCC 39199 [1,0,0,0,0,0|0,0,0]=1 141 B5R0.2 CCCCCC 41727 [1,0,0,0,0,0|0,0,0]=1 142 B5R0.2 CCCCCC 42100 [1,0,0,0,0,0|0,0,0]=1 143 B5R0.2 CCCCCC 43263 [1,0,0,0,0,0|0,0,0]=1 144 B5R0.2 CCCCCC 47104 [1,0,0,0,0,0|0,0,0]=1 145 B5R0.2 CCCCCC L09938 [1,0,0,0,0,0|0,0,0]=1 146 B5R0.2 CCCCCC L13233 [1,0,0,0,0,0|0,0,0]=1 147 B5R0.2 CCCCCCl B24733 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.2 CCCCCI B20781 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.2 CCCCCN A11674 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.2 CCCCCO 30898 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.2 CCCCCO A13093 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.2 CCCCCO H33391 [1,0,0,0,0,0|1,0,0]=2 153 B5R0.2 CCCCCS L04330 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.2 CCCCC[Mg+] 41278 [1,0,0,0,0,0|1,0,0]=2 155 B5R0.2 CCCCC[Mg+] H51175 [1,0,0,0,0,0|1,0,0]=2 156 B5R0.2 CCCCC[O-] 36569 [1,0,0,0,0,0|1,0,0]=2 157 B5R0.2 CCCCC[Zn+] H58633 [1,0,0,0,0,0|1,0,0]=2 158 B5R0.2 CCCCNC B23032 [1,0,0,0,0,0|1,0,0]=2 159 B5R0.2 CCCCSC L12039 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.2 CCCN=C=S A14499 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.2 CCCNCC 14846 [1,0,0,0,0,0|1,0,0]=2 162 B5R0.2 CCCOC=O A18090 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.2 CCC\C=C/C H53506 [1,0,0,0,0,0|0,0,2]=3 164 B5R0.2 CCC\C=C\C B22289 [1,0,0,0,0,0|0,0,2]=3 165 B5R0.2 CCC\C=C\C H53472 [1,0,0,0,0,0|0,0,2]=3 166 B5R0.2 CCC\C=N\O A11420 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.2 CCNCCN B23577 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.2 CCNCCO A15744 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.2 CCNNCC B22317 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.2 CCOCC=C B22276 [1,0,0,0,0,0|1,0,2]=4 171 B5R0.2 CCOCCBr L04034 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.2 CCOCCCl B24308 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.2 CCOCCO A16100 [1,0,0,0,0,0|2,0,0]=3 174 B5R0.2 CCO\C=C\C H26319 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.2 CCSCC=C L12847 [1,0,0,0,0,0|1,0,2]=4 176 B5R0.2 CCSCCN B22147 [1,0,0,0,0,0|2,0,0]=3 177 B5R0.2 CCSCCO L05040 [1,0,0,0,0,0|2,0,0]=3 178 B5R0.2 CCSSCC L10065 [1,0,0,0,0,0|2,0,0]=3 179 B5R0.2 CC\C=C/CC H53485 [1,0,0,0,0,0|0,0,2]=3 180 B5R0.2 CC\C=C/CO A14262 [1,0,0,0,0,0|1,0,2]=4 181 B5R0.2 CC\C=C\CC L10311 [1,0,0,0,0,0|0,0,2]=3 182 B5R0.2 CNCCCN B23319 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.2 CNCCCO H58818 [1,0,0,0,0,0|2,0,0]=3 184 B5R0.2 CNCCNC L02204 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.2 COCCC#N L07055 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.2 COCCCN B24095 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.2 COCCOC 45659 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.2 COCCOC A12986 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.2 CSCCC=O A14774 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.2 CSCCCN H25846 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.2 CSCCCO A10403 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.3 C(C(CBr)Br)Br L03752 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.3 C(C(CCl)Cl)Cl L04312 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.3 C(C(CCl)Cl)O A18444 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.3 C(C(CCl)O)Cl A16003 [1,0,0,0,0,0|2,0,0]=3 196 B5R0.3 C(C(CCl)O)F L17286 [1,0,0,0,0,0|2,0,0]=3 197 B5R0.3 C(C(CCl)O)O A16143 [1,0,0,0,0,0|2,0,0]=3 198 B5R0.3 C(C(CF)O)F L01646 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.3 C(C(CN)O)N A19618 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.3 C(C(CO)N)O B25419 [1,0,0,0,0,0|3,0,0]=4 201 B5R0.3 C(C(CO)N)O L08426 [1,0,0,0,0,0|3,0,0]=4 202 B5R0.3 C(C(CO)O)N B22672 [1,0,0,0,0,0|2,0,0]=3 203 B5R0.3 C(C(CO)O)O 32450 [1,0,0,0,0,0|2,0,0]=3 204 B5R0.3 C(C(CO)O)O 36646 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.3 C(C(CO)O)O 38988 [1,0,0,0,0,0|2,0,0]=3 206 B5R0.3 C(C(CO)O)O A16205 [1,0,0,0,0,0|2,0,0]=3 207 B5R0.3 C(C(CO)O)O J61059 [1,0,0,0,0,0|2,0,0]=3 208 B5R0.3 C(C(CO)O)O J62399 [1,0,0,0,0,0|2,0,0]=3 209 B5R0.3 C(C(CO)O)O J64719 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.3 C(C(CS)O)O A18948 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.3 C(C(CS)S)O L03953 [1,0,0,0,0,0|2,1,0]=4 212 B5R0.3 C([C@@H](CCl)O)O L18556 [1,0,0,0,0,0|2,0,0]=3 213 B5R0.3 C([C@@H](CO)O)N H26743 [1,0,0,0,0,0|2,0,0]=3 214 B5R0.3 C([C@H](CCl)O)O L18555 [1,0,0,0,0,0|2,0,0]=3 215 B5R0.3 CC(OC)OC A10939 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.3 CCC(=C)CC L11553 [1,0,0,0,0,0|1,0,1]=3 217 B5R0.3 CCC(=O)CBr L12081 [1,0,0,0,0,0|1,0,2]=4 218 B5R0.3 CCC(=O)CC A15297 [1,0,0,0,0,0|0,0,2]=3 219 B5R0.3 CCC(=O)OC A14944 [1,0,0,0,0,0|1,0,2]=4 220 B5R0.3 CCC(C#C)O B24853 [1,0,0,0,0,0|0,0,2]=3 221 B5R0.3 CCC(C)C=C L11525 [1,0,0,0,0,0|1,0,2]=4 222 B5R0.3 CCC(C)C=O A19650 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.3 CCC(C)CBr H27078 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.3 CCC(C)CC L03133 [1,0,0,0,0,0|1,0,0]=2 225 B5R0.3 CCC(C)CO B21825 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.3 CCC(C)CS B21949 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.3 CCC(C)NC H27547 [1,0,0,0,0,0|2,0,0]=3 228 B5R0.3 CCC(C)OC H53427 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.3 CCC(C)SC B21942 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.3 CCC(C=C)O B20155 [1,0,0,0,0,0|0,0,2]=3 231 B5R0.3 CCC(CBr)Br B20356 [1,0,0,0,0,0|2,0,0]=3 232 B5R0.3 CCC(CC)Br L13576 [1,0,0,0,0,0|1,0,0]=2 233 B5R0.3 CCC(CC)N L02250 [1,0,0,0,0,0|1,0,0]=2 234 B5R0.3 CCC(CC)O L06065 [1,0,0,0,0,0|0,0,0]=1 235 B5R0.3 CCC(CC)[Zn+] H58214 [1,0,0,0,0,0|1,0,0]=2 236 B5R0.3 CCC(CCl)Cl B21307 [1,0,0,0,0,0|2,0,0]=3 237 B5R0.3 CCC(CO)N B24398 [1,0,0,0,0,0|2,0,0]=3 238 B5R0.3 CCN(CC)O B23302 [1,0,0,0,0,0|1,0,0]=2 239 B5R0.3 CCP(=O)CC H27768 [1,0,0,0,0,0|1,0,1]=3 240 B5R0.3 CCP(CC)Cl 30204 [1,0,0,0,0,0|2,0,0]=3 241 B5R0.3 CC[C@@H](CO)N L11449 [1,0,0,0,0,0|2,0,0]=3 242 B5R0.3 CC[C@H](C)CN L14063 [1,0,0,0,0,0|2,0,0]=3 243 B5R0.3 CC[C@H](CO)N B25212 [1,0,0,0,0,0|2,0,0]=3 244 B5R0.3 COP(O)OC L02670 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.2 CC(C)CC(=O)OC L06241 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.2 CC(C)CC(C#C)O H53490 [0,1,0,0,0,0|0,0,2]=3 247 B7R0.2 CC(C)C[C@@H](CO)N B23745 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.2 CC(C)C[C@H](CO)N L13243 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.2 CC(CN(C)C)CCl L06091 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.2 CCC(=O)OC(C)C A19052 [0,1,0,0,0,0|1,0,2]=4 251 B7R0.2 CCC(C)CC(=O)Cl H50415 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.2 CCC(C)CC(=O)O A18886 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.2 CCC(C)OC(=O)C L13892 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.2 C[C@@H](CC(=O)OC)O L19996 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.2 C[C@H](CC(=O)OC)O L14151 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.3 CCC(CCC=C)O B20128 [0,1,0,0,0,0|0,0,1]=2 257 B7R0.3 CCCCC(=O)CC A16977 [0,1,0,0,0,0|0,0,2]=3 258 B7R0.3 CCCCC(=O)OC B24828 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.3 CCCCC(C#C)O L05330 [0,1,0,0,0,0|0,0,2]=3 260 B7R0.3 CCCCC(C)CC L12006 [0,1,0,0,0,0|1,0,0]=2 261 B7R0.3 CCCCC(C=C)O A14651 [0,1,0,0,0,0|0,0,2]=3 262 B7R0.3 CCCCC(CC)Br L04427 [0,1,0,0,0,0|1,0,0]=2 263 B7R0.3 CCCCC(CC)[Zn+] H58866 [0,1,0,0,0,0|1,0,0]=2 264 B7R0.3 CCCCC(CO)O L06864 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.3 CCCOC(=O)CBr L11951 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.3 CCCOC(=O)CC B20680 [0,1,0,0,0,0|0,0,2]=3 267 B7R0.3 CCCOC(=O)CN H50250 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.3 CC\C(=C\CCBr)\C L19407 [0,1,0,0,0,0|1,0,2]=4 269 B7R0.3 COC(=O)CCCBr L12636 [0,1,0,0,0,0|1,0,2]=4 270 B7R0.3 COC(=O)CCCCl L03734 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.3 COC(=O)CCSC A10649 [0,1,0,0,0,0|1,0,2]=4 272 B7R0.3 CSCC[C@@H](CO)N B24211 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.5 C(CN)[C@@H](C(=O)O)O H28796 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.5 CC(C)C(CC=C)O B20220 [0,1,0,0,0,0|0,0,2]=3 275 B7R0.5 CCCC(=O)C(=O)C L04669 [0,1,0,0,0,0|0,0,3]=4 276 B7R0.5 CCCC(=O)N(C)C L05556 [0,1,0,0,0,0|1,0,2]=4 277 B7R0.5 CCCC(C(=O)O)Br L07047 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.5 CCCC(C(=O)O)N A15900 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.5 CCCC(C)C(=O)Cl L02725 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.5 CCCC(C)C(=O)O A13873 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.5 CCC[C@H](C(=O)O)N B23444 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.5 CCOC(=O)C(C)Br A10820 [0,1,0,0,0,0|1,0,2]=4 284 B7R0.5 CCOC(=O)C(C)C A12966 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.5 CCOC(=O)C(C)Cl L13410 [0,1,0,0,0,0|1,0,2]=4 286 B7R0.5 CCOC(=O)C(C)N L11020 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.5 CCOC(=O)C(C)O A10900 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.5 CCOC(=O)C(C)S L11520 [0,1,0,0,0,0|1,0,2]=4 289 B7R0.5 CCOC(=O)[C@@H](C)N H62791 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.5 CCOC(=O)[C@H](C)N A11271 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.7 CC(CCBr)CCBr B20521 [0,1,0,0,0,0|2,0,0]=3 292 B7R0.7 CC(CCO)CCO B20546 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.7 CCCC(=O)CCC B21222 [0,1,0,0,0,0|0,0,2]=3 294 B7R0.7 CCCC(=O)OCC L06025 [0,1,0,0,0,0|0,0,2]=3 295 B7R0.7 CCCC(CC=C)O B20591 [0,1,0,0,0,0|0,0,1]=2 296 B7R0.7 CCCC(CCC)Br H60807 [0,1,0,0,0,0|1,0,0]=2 297 B7R0.7 CCCC(CCC)Br L04807 [0,1,0,0,0,0|1,0,0]=2 298 B7R0.7 CCCC(CCC)[Zn+] H58039 [0,1,0,0,0,0|1,0,0]=2 299 B7R0.7 CCCC(CCO)S B21965 [0,1,0,0,0,0|0,1,0]=2 300 B7R0.7 CCCC(\C=C\C)O B20057 [0,1,0,0,0,0|0,0,1]=2 301 B7R0.7 CCCN(C)CCC H65077 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.7 CCNC(=O)NCC L02079 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.7 CCNC(=S)NCC A17143 [0,1,0,0,0,0|1,1,1]=4 304 B7R0.7 CCOC(=O)CCBr A12402 [0,1,0,0,0,0|1,0,2]=4 305 B7R0.7 CCOC(=O)CCCl B23907 [0,1,0,0,0,0|1,0,2]=4 306 B7R0.7 CCOC(=O)CCN A17277 [0,1,0,0,0,0|1,0,2]=4 307 B7R0.7 CCOC(=O)CC[Zn+] H26739 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.7 CCOC(=O)CNC A13112 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.7 CCOC(=O)COC A18770 [0,1,0,0,0,0|1,0,2]=4 310 B7R0.7 CCOC(=O)CSC B24285 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.7 CCOC(=O)OCC A12477 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.7 CCOC(C)OCC A13701 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.7 CCOP(C)OCC 30357 [0,1,0,0,0,0|3,0,0]=4 314 B7R0.7 CCOP(OCC)Cl L09919 [0,1,0,0,0,0|3,0,0]=4 315 B7R0.7 CCOP([O-])OCC 43801 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.7 CCOP([O-])OCC 44000 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.7 CCO[SiH](C)OCC A10153 [0,1,0,0,0,0|2,1,0]=4 318 B7R0.7 CN(CCCl)CCCl H55066 [0,1,0,0,0,0|3,0,0]=4 319 B7R0.7 CN(CCO)CCO L15712 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.7 CSCC(CSC)O B21893 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.10 C(C(C(CO)Br)Br)O B25260 [0,1,0,0,0,0|3,0,0]=4 322 B7R0.10 C(C(C(CS)O)O)S A15797 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.10 C([C@H]([C@H](C=O)O)O)O B21093 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.10 C([C@H]([C@H](CO)O)O)O A15813 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.10 C([C@H]([C@H](CS)O)O)S A10138 [0,1,0,0,0,0|2,0,0]=3 326 B7R0.10 CCC(=O)C(=O)CC L06655 [0,1,0,0,0,0|0,0,3]=4 327 B7R0.10 CCC(C(=O)OC)Br A19468 [0,1,0,0,0,0|1,0,2]=4 328 B7R0.10 CCC(C)C(=O)OC L08103 [0,1,0,0,0,0|1,0,2]=4 329 B7R0.10 CCC(C)C(C)CC H53498 [0,1,0,0,0,0|1,0,0]=2 330 B7R0.10 CC[C@H](C)[C@@H](CO)N H60556 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.11 CC(C)(CCO)OC L15953 [0,1,0,0,0,0|3,0,0]=4 332 B7R0.11 CCC(C)(CC=C)O B20447 [0,1,0,0,0,0|0,0,2]=3 333 B7R0.11 CCCC(C)(CC)Cl B20277 [0,1,0,0,0,0|1,0,0]=2 334 B7R0.11 CCCC(C)(CC)O L04625 [0,1,0,0,0,0|0,0,0]=1 335 B7R0.11 CCS(=O)(=O)CCO B20180 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.12 CCCC(CO)CO B22152 [0,1,0,0,0,0|1,0,0]=2 337 B7R0.12 CCN(CC)CCCl A15107 [0,1,0,0,0,0|3,0,0]=4 338 B7R0.12 CCN(CC)CCN A19636 [0,1,0,0,0,0|3,0,0]=4 339 B7R0.12 CCN(CC)CCO A16274 [0,1,0,0,0,0|3,0,0]=4 340 B7R0.12 CCN(CC)CCO A16569 [0,1,0,0,0,0|3,0,0]=4 341 B7R0.12 CNCC(OC)OC L02391 [0,1,0,0,0,0|2,0,0]=3 342 B7R0.12 COC(CCBr)OC L20150 [0,1,0,0,0,0|2,0,0]=3 343 B7R0.12 COC(CSC)OC B22667 [0,1,0,0,0,0|2,0,0]=3 344 B7R1.1 C#CC1CCCC1 H53483 [0,0,0,1,0,0|1,0,2]=4 345 B7R1.1 C1CC(NC1)CO H62322 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.1 C1CC(OC1)CBr A15192 [0,0,0,1,0,0|1,0,0]=2 347 B7R1.1 C1CC(OC1)CCl B24015 [0,0,0,1,0,0|1,0,0]=2 348 B7R1.1 C1CC(OC1)CN B23068 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.1 C1CC(OC1)CO A17078 [0,0,0,1,0,0|1,0,0]=2 350 B7R1.1 C1CCC(C1)C#N A17710 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.1 C1CCC(C1)C=O H56609 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.1 C1CCC(C1)CI B25391 [0,0,0,1,0,0|2,0,0]=3 353 B7R1.1 C1CCC(C1)CO A11595 [0,0,0,1,0,0|2,0,0]=3 354 B7R1.1 C1CNCC1CO H57225 [0,0,0,1,0,0|3,0,0]=4 355 B7R1.1 C1CNC[C@@H]1CO H57871 [0,0,0,1,0,0|3,0,0]=4 356 B7R1.1 C1CNC[C@H]1CO H57199 [0,0,0,1,0,0|3,0,0]=4 357 B7R1.1 C1COC(O1)CBr A19312 [0,0,0,1,0,0|2,0,0]=3 358 B7R1.1 C1COC(O1)C[Zn+] H58702 [0,0,0,1,0,0|2,0,0]=3 359 B7R1.1 C1C[C@@H](NC1)CN H66198 [0,0,0,1,0,0|2,0,0]=3 360 B7R1.1 C1C[C@@H](NC1)CO L11109 [0,0,0,1,0,0|2,0,0]=3 361 B7R1.1 C1C[C@@H](OC1)CN L14410 [0,0,0,1,0,0|1,0,0]=2 362 B7R1.1 C1C[C@@H](OC1)CO L19044 [0,0,0,1,0,0|1,0,0]=2 363 B7R1.1 C1C[C@H](NC1)CO L09779 [0,0,0,1,0,0|2,0,0]=3 364 B7R1.1 C1C[C@H](OC1)CN L10790 [0,0,0,1,0,0|1,0,0]=2 365 B7R1.1 C=CC1CCCC1 H26230 [0,0,0,1,0,0|1,0,2]=4 366 B7R1.1 CC=C1CCCC1 B20209 [0,0,0,1,0,0|1,0,2]=4 367 B7R1.1 CCC1=NCCO1 B23287 [0,0,0,1,0,0|1,0,1]=3 368 B7R1.1 COC1CCCC1 H27349 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.2 C1C(COC1=O)O L20257 [0,0,0,1,0,0|2,0,1]=4 370 B7R1.2 C1[C@@H](CNC1=O)O H66455 [0,0,0,1,0,0|2,0,1]=4 371 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,0,0,1,0,0|2,0,1]=4 372 B7R1.2 C1[C@H](CNC1=O)O H66006 [0,0,0,1,0,0|2,0,1]=4 373 B7R1.2 C1[C@H](COC1=O)O L20255 [0,0,0,1,0,0|2,0,1]=4 374 B7R1.2 CC1CCC(=O)C1 L04940 [0,0,0,1,0,0|0,0,2]=3 375 B7R1.2 CC1CCC(=O)O1 A18872 [0,0,0,1,0,0|1,0,2]=4 376 B7R1.2 CN1CCC(=O)C1 H57585 [0,0,0,1,0,0|1,0,2]=4 377 B7R1.2 CN1CCC(C1)Br H66250 [0,0,0,1,0,0|2,0,0]=3 378 B7R1.2 CN1CCC(C1)O H28122 [0,0,0,1,0,0|1,0,0]=2 379 B7R1.2 CN1CC[C@@H](C1)O L19695 [0,0,0,1,0,0|1,0,0]=2 380 B7R1.2 CN1CC[C@H](C1)O L19694 [0,0,0,1,0,0|1,0,0]=2 381 B7R1.3 C1CC(CNC1)F L19776 [0,0,0,1,0,0|2,0,0]=3 382 B7R1.3 C1CC(CNC1)N H57306 [0,0,0,1,0,0|2,0,0]=3 383 B7R1.3 C1CC(CNC1)O H55983 [0,0,0,1,0,0|1,0,0]=2 384 B7R1.3 C1CC(CNC1)O L01333 [0,0,0,1,0,0|1,0,0]=2 385 B7R1.3 C1CC=CC(C1)Br A10370 [0,0,0,1,0,0|1,0,2]=4 386 B7R1.3 C1CCC(=O)CC1 33309 [0,0,0,1,0,0|0,0,2]=3 387 B7R1.3 C1CCC(=O)CC1 A15607 [0,0,0,1,0,0|0,0,2]=3 388 B7R1.3 C1CCC(CC1)Br 31031 [0,0,0,1,0,0|1,0,0]=2 389 B7R1.3 C1CCC(CC1)Br A11593 [0,0,0,1,0,0|1,0,0]=2 390 B7R1.3 C1CCC(CC1)Cl L04349 [0,0,0,1,0,0|1,0,0]=2 391 B7R1.3 C1CCC(CC1)F L13015 [0,0,0,1,0,0|1,0,0]=2 392 B7R1.3 C1CCC(CC1)I B24840 [0,0,0,1,0,0|1,0,0]=2 393 B7R1.3 C1CCC(CC1)N A15851 [0,0,0,1,0,0|1,0,0]=2 394 B7R1.3 C1CCC(CC1)N A17308 [0,0,0,1,0,0|1,0,0]=2 395 B7R1.3 C1CCC(CC1)N A18439 [0,0,0,1,0,0|1,0,0]=2 396 B7R1.3 C1CCC(CC1)O A17576 [0,0,0,1,0,0|0,0,0]=1 397 B7R1.3 C1CCC(CC1)S 39540 [0,0,0,1,0,0|0,1,0]=2 398 B7R1.3 C1CCC(CC1)S B21656 [0,0,0,1,0,0|0,1,0]=2 399 B7R1.3 C1CCC(CC1)[Mg+] H51165 [0,0,0,1,0,0|1,0,0]=2 400 B7R1.3 C1CCC(CC1)[Zn+] H58852 [0,0,0,1,0,0|1,0,0]=2 401 B7R1.3 C1CCN(CC1)N B25746 [0,0,0,1,0,0|2,0,0]=3 402 B7R1.3 C1CCN(CC1)N L14078 [0,0,0,1,0,0|2,0,0]=3 403 B7R1.3 C1CCNC(=O)C1 A12271 [0,0,0,1,0,0|1,0,2]=4 404 B7R1.3 C1CCOC(=O)C1 L04794 [0,0,0,1,0,0|1,0,2]=4 405 B7R1.3 C1CNCCC1=O A13726 [0,0,0,1,0,0|1,0,2]=4 406 B7R1.3 C1CNCCC1F H25755 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.3 C1CNCCC1N L20127 [0,0,0,1,0,0|2,0,0]=3 408 B7R1.3 C1CNCCC1O B22723 [0,0,0,1,0,0|1,0,0]=2 409 B7R1.3 C1COCCC1=O A19010 [0,0,0,1,0,0|1,0,2]=4 410 B7R1.3 C1COCCN1N B21381 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.3 C1CSCCC1=O A15872 [0,0,0,1,0,0|1,0,2]=4 412 B7R1.3 C1C[C@@H](CNC1)N H27700 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.3 C1C[C@H](CNC1)N H27683 [0,0,0,1,0,0|2,0,0]=3 414 B7R1.3 C1C[C@H](CNC1)O H56847 [0,0,0,1,0,0|1,0,0]=2 415 B7R1.3 CC1=CCCCC1 L15014 [0,0,0,1,0,0|1,0,2]=4 416 B7R1.3 CC1CCCCC1 31861 [0,0,0,1,0,0|1,0,0]=2 417 B7R1.3 CC1CCCCC1 A16057 [0,0,0,1,0,0|1,0,0]=2 418 B7R1.3 CC1CCCCN1 L02567 [0,0,0,1,0,0|2,0,0]=3 419 B7R1.3 CC1CCCNC1 L13408 [0,0,0,1,0,0|2,0,0]=3 420 B7R1.3 CC1CCNCC1 L02709 [0,0,0,1,0,0|2,0,0]=3 421 B7R1.3 CC1CNCCN1 B24405 [0,0,0,1,0,0|3,0,0]=4 422 B7R1.3 CC1SCCCS1 L00209 [0,0,0,1,0,0|3,0,0]=4 423 B7R1.3 CN1CCCCC1 L03398 [0,0,0,1,0,0|2,0,0]=3 424 B7R1.3 CN1CCNCC1 A10837 [0,0,0,1,0,0|3,0,0]=4 425 B7R1.3 CN1CCNCC1 H55536 [0,0,0,1,0,0|3,0,0]=4 426 B7R1.3 CN1CCOCC1 A12158 [0,0,0,1,0,0|3,0,0]=4 427 B7R1.3 C[C@@H]1CNCCN1 B22366 [0,0,0,1,0,0|3,0,0]=4 428 B7R1.3 C[C@@H]1CNCCN1 L20074 [0,0,0,1,0,0|3,0,0]=4 429 B7R1.3 C[C@H]1CNCCN1 L14429 [0,0,0,1,0,0|3,0,0]=4 430 B7R1.3 C[C@H]1CNCCN1 L20075 [0,0,0,1,0,0|3,0,0]=4 431 B7R1.4 C1CC(C(=O)C1)Cl B22573 [0,0,0,1,0,0|1,0,2]=4 432 B7R1.4 C1CNC(=O)C1O H57961 [0,0,0,1,0,0|2,0,1]=4 433 B7R1.4 CC1C(=O)CCO1 B20890 [0,0,0,1,0,0|1,0,2]=4 434 B7R1.4 CC1C(=O)CCS1 L10083 [0,0,0,1,0,0|1,0,2]=4 435 B7R1.4 CC1CCCC1O A19978 [0,0,0,1,0,0|0,0,0]=1 436 B7R1.4 CN1CCCC1=O 38986 [0,0,0,1,0,0|1,0,2]=4 437 B7R1.4 CN1CCCC1=O 39176 [0,0,0,1,0,0|1,0,2]=4 438 B7R1.4 CN1CCCC1=O 43741 [0,0,0,1,0,0|1,0,2]=4 439 B7R1.4 CN1CCCC1=O 43894 [0,0,0,1,0,0|1,0,2]=4 440 B7R1.4 CN1CCCC1=O 44063 [0,0,0,1,0,0|1,0,2]=4 441 B7R1.4 CN1CCCC1=O A12260 [0,0,0,1,0,0|1,0,2]=4 442 B7R1.21 CCOC1(CC1)Br H35167 [0,0,0,1,0,0|2,0,0]=3 443 B7R1.22 COC(=O)C1CC1 B20853 [0,0,0,1,0,0|1,0,2]=4 444 B7R1.25 CC1(COC1)CO B25111 [0,0,0,1,0,0|3,0,0]=4 445 B4R0.1 B(CC)(O)O L19959 [2,0,0,0,0,0|2,0,0]=4 446 B4R0.1 CC(C#C)O A11881 [2,0,0,0,0,0|0,0,2]=4 447 B4R0.1 CC(C)CBr B23854 [2,0,0,0,0,0|2,0,0]=4 448 B4R0.1 CC(C)CCl L04181 [2,0,0,0,0,0|2,0,0]=4 449 B4R0.1 CC(C)CI A15883 [2,0,0,0,0,0|2,0,0]=4 450 B4R0.1 CC(C)CN A11017 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.1 CC(C)CO 22908 [2,0,0,0,0,0|2,0,0]=4 452 B4R0.1 CC(C)CO 32433 [2,0,0,0,0,0|2,0,0]=4 453 B4R0.1 CC(C)CO 36643 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.1 CC(C)CO B23091 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.1 CC(C)C[O-] 89455 [2,0,0,0,0,0|2,0,0]=4 456 B4R0.1 CC(C)C[Zn+] H58145 [2,0,0,0,0,0|2,0,0]=4 457 B4R0.1 CC(C)NC H65892 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.1 CC(C=C)O L14787 [2,0,0,0,0,0|0,0,2]=4 459 B4R0.1 CC(CBr)Br B22994 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.1 CC(CCl)Cl L03083 [2,0,0,0,0,0|2,0,0]=4 461 B4R0.1 CC(CCl)O B22686 [2,0,0,0,0,0|1,0,0]=3 462 B4R0.1 CC(CN)N B24489 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.1 CC(CN)O L15343 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.1 CC(CO)N L03608 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 CC(CO)O 30948 [2,0,0,0,0,0|1,0,0]=3 466 B4R0.1 CC(CO)O A18406 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.1 CCC(=C)C H27230 [2,0,0,0,0,0|1,0,1]=4 468 B4R0.1 CCC(=O)C 22924 [2,0,0,0,0,0|0,0,2]=4 469 B4R0.1 CCC(=O)C 31069 [2,0,0,0,0,0|0,0,2]=4 470 B4R0.1 CCC(=O)C 39119 [2,0,0,0,0,0|0,0,2]=4 471 B4R0.1 CCC(=O)C L13185 [2,0,0,0,0,0|0,0,2]=4 472 B4R0.1 CCC(=O)O L04210 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.1 CCC(C)Br A15069 [2,0,0,0,0,0|1,0,0]=3 474 B4R0.1 CCC(C)C 19387 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.1 CCC(C)Cl B21586 [2,0,0,0,0,0|1,0,0]=3 476 B4R0.1 CCC(C)I B20619 [2,0,0,0,0,0|1,0,0]=3 477 B4R0.1 CCC(C)N A13014 [2,0,0,0,0,0|1,0,0]=3 478 B4R0.1 CCC(C)O 41871 [2,0,0,0,0,0|0,0,0]=2 479 B4R0.1 CCC(C)O 43315 [2,0,0,0,0,0|0,0,0]=2 480 B4R0.1 CCC(C)O A18658 [2,0,0,0,0,0|0,0,0]=2 481 B4R0.1 CCC(C)[O-] 30721 [2,0,0,0,0,0|0,0,1]=3 482 B4R0.1 CCC(C)[O-] 43712 [2,0,0,0,0,0|0,0,1]=3 483 B4R0.1 CCC(C)[O-] A13044 [2,0,0,0,0,0|0,0,1]=3 484 B4R0.1 CCC(C)[Zn+] H58714 [2,0,0,0,0,0|1,0,0]=3 485 B4R0.1 CCN(C)C B23992 [2,0,0,0,0,0|2,0,0]=4 486 B4R0.1 CC[C@@H](C)N L03889 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.1 CC[C@@H](C)O L13983 [2,0,0,0,0,0|0,0,0]=2 488 B4R0.1 CC[C@H](C)N L10069 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.1 CC[C@H](C)O L14164 [2,0,0,0,0,0|0,0,0]=2 490 B4R0.1 C[C@@H](C#C)O L20345 [2,0,0,0,0,0|0,0,2]=4 491 B4R0.1 C[C@@H](CN)N H60753 [2,0,0,0,0,0|2,0,0]=4 492 B4R0.1 C[C@@H](CN)O L14102 [2,0,0,0,0,0|1,0,0]=3 493 B4R0.1 C[C@@H](CO)N B24916 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.1 C[C@@H](CO)O B21773 [2,0,0,0,0,0|1,0,0]=3 495 B4R0.1 C[C@H](C#C)O L18880 [2,0,0,0,0,0|0,0,2]=4 496 B4R0.1 C[C@H](CN)O L14101 [2,0,0,0,0,0|1,0,0]=3 497 B4R0.1 C[C@H](CO)N L11030 [2,0,0,0,0,0|2,0,0]=4 498 B4R0.1 C[C@H](CO)O B21937 [2,0,0,0,0,0|1,0,0]=3 499 B4R0.1 [Li]C(C)CC 43028 [2,0,0,0,0,0|1,0,0]=3 500 B4R0.2 C#CCCO A11477 [2,0,0,0,0,0|0,0,2]=4 501 B4R0.2 C(CBr)CBr A14687 [2,0,0,0,0,0|2,0,0]=4 502 B4R0.2 C(CCl)CBr A11395 [2,0,0,0,0,0|2,0,0]=4 503 B4R0.2 C(CCl)CCl 36685 [2,0,0,0,0,0|2,0,0]=4 504 B4R0.2 C(CCl)CI A13489 [2,0,0,0,0,0|2,0,0]=4 505 B4R0.2 C(CF)CF L12351 [2,0,0,0,0,0|2,0,0]=4 506 B4R0.2 C(CI)CI A10616 [2,0,0,0,0,0|2,0,0]=4 507 B4R0.2 C(CN)CBr B23254 [2,0,0,0,0,0|2,0,0]=4 508 B4R0.2 C(CN)CCl A15415 [2,0,0,0,0,0|2,0,0]=4 509 B4R0.2 C(CN)CN A11932 [2,0,0,0,0,0|2,0,0]=4 510 B4R0.2 C(CN)CO B23041 [2,0,0,0,0,0|1,0,0]=3 511 B4R0.2 C(CO)C#N L12570 [2,0,0,0,0,0|1,0,1]=4 512 B4R0.2 C(CO)CBr B22857 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.2 C(CO)CCl A16871 [2,0,0,0,0,0|1,0,0]=3 514 B4R0.2 C(CO)CO A10829 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.2 C(CO)NN 43793 [2,0,0,0,0,0|2,0,0]=4 516 B4R0.2 C(CS)CS A15261 [2,0,0,0,0,0|1,1,0]=4 517 B4R0.2 C=CCCO L00767 [2,0,0,0,0,0|0,0,2]=4 518 B4R0.2 CC#CCO A15709 [2,0,0,0,0,0|0,0,2]=4 519 B4R0.2 CCC#CC L02973 [2,0,0,0,0,0|0,0,2]=4 520 B4R0.2 CCCC#C L02479 [2,0,0,0,0,0|0,0,2]=4 521 B4R0.2 CCCC#N L02999 [2,0,0,0,0,0|1,0,1]=4 522 B4R0.2 CCCC=C A16723 [2,0,0,0,0,0|0,0,2]=4 523 B4R0.2 CCCC=O A18243 [2,0,0,0,0,0|0,0,2]=4 524 B4R0.2 CCCCBr A10696 [2,0,0,0,0,0|1,0,0]=3 525 B4R0.2 CCCCC 17381 [2,0,0,0,0,0|0,0,0]=2 526 B4R0.2 CCCCC 22907 [2,0,0,0,0,0|0,0,0]=2 527 B4R0.2 CCCCC 32449 [2,0,0,0,0,0|0,0,0]=2 528 B4R0.2 CCCCC 40981 [2,0,0,0,0,0|0,0,0]=2 529 B4R0.2 CCCCC 44255 [2,0,0,0,0,0|0,0,0]=2 530 B4R0.2 CCCCC 47115 [2,0,0,0,0,0|0,0,0]=2 531 B4R0.2 CCCCC H27427 [2,0,0,0,0,0|0,0,0]=2 532 B4R0.2 CCCCCl 39198 [2,0,0,0,0,0|1,0,0]=3 533 B4R0.2 CCCCCl A11494 [2,0,0,0,0,0|1,0,0]=3 534 B4R0.2 CCCCI A12340 [2,0,0,0,0,0|1,0,0]=3 535 B4R0.2 CCCCN L03575 [2,0,0,0,0,0|1,0,0]=3 536 B4R0.2 CCCCO 22925 [2,0,0,0,0,0|0,0,0]=2 537 B4R0.2 CCCCO 31068 [2,0,0,0,0,0|0,0,0]=2 538 B4R0.2 CCCCO 32443 [2,0,0,0,0,0|0,0,0]=2 539 B4R0.2 CCCCO 41867 [2,0,0,0,0,0|0,0,0]=2 540 B4R0.2 CCCCO L13171 [2,0,0,0,0,0|0,0,0]=2 541 B4R0.2 CCCCS 43421 [2,0,0,0,0,0|0,1,0]=3 542 B4R0.2 CCCC[Mg+] 41676 [2,0,0,0,0,0|1,0,0]=3 543 B4R0.2 CCCC[Mg+] 46117 [2,0,0,0,0,0|1,0,0]=3 544 B4R0.2 CCCC[O-] 33496 [2,0,0,0,0,0|0,0,1]=3 545 B4R0.2 CCCC[O-] 36570 [2,0,0,0,0,0|0,0,1]=3 546 B4R0.2 CCCC[O-] 40816 [2,0,0,0,0,0|0,0,1]=3 547 B4R0.2 CCCC[O-] 43295 [2,0,0,0,0,0|0,0,1]=3 548 B4R0.2 CCCC[O-] 44209 [2,0,0,0,0,0|0,0,1]=3 549 B4R0.2 CCCC[O-] 77124 [2,0,0,0,0,0|0,0,1]=3 550 B4R0.2 CCCC[O-] 87754 [2,0,0,0,0,0|0,0,1]=3 551 B4R0.2 CCCC[O-] B23317 [2,0,0,0,0,0|0,0,1]=3 552 B4R0.2 CCCC[Sn+3] 71125 [2,0,0,0,0,0|1,0,0]=3 553 B4R0.2 CCCC[Zn+] H58121 [2,0,0,0,0,0|1,0,0]=3 554 B4R0.2 CCCNC A16903 [2,0,0,0,0,0|1,0,0]=3 555 B4R0.2 CCCSC L09346 [2,0,0,0,0,0|1,0,0]=3 556 B4R0.2 CCNCC A10452 [2,0,0,0,0,0|1,0,0]=3 557 B4R0.2 CCNCC A11716 [2,0,0,0,0,0|1,0,0]=3 558 B4R0.2 CCNCC A13637 [2,0,0,0,0,0|1,0,0]=3 559 B4R0.2 CCOCC 16767 [2,0,0,0,0,0|1,0,0]=3 560 B4R0.2 CCOCC 33224 [2,0,0,0,0,0|1,0,0]=3 561 B4R0.2 CCOCC 38990 [2,0,0,0,0,0|1,0,0]=3 562 B4R0.2 CCOCC 40976 [2,0,0,0,0,0|1,0,0]=3 563 B4R0.2 CCOCC 41796 [2,0,0,0,0,0|1,0,0]=3 564 B4R0.2 CCOCC A15275 [2,0,0,0,0,0|1,0,0]=3 565 B4R0.2 CCOCC H33678 [2,0,0,0,0,0|1,0,0]=3 566 B4R0.2 CCOCC L15481 [2,0,0,0,0,0|1,0,0]=3 567 B4R0.2 CCSCC 10482 [2,0,0,0,0,0|1,0,0]=3 568 B4R0.2 CCSCC 10484 [2,0,0,0,0,0|1,0,0]=3 569 B4R0.2 CCSCC L03493 [2,0,0,0,0,0|1,0,0]=3 570 B4R0.2 CC[Al+]CC 87625 [2,0,0,0,0,0|1,0,0]=3 571 B4R0.2 CC[Al+]CC 89035 [2,0,0,0,0,0|1,0,0]=3 572 B4R0.2 CC[N-]CC 40445 [2,0,0,0,0,0|1,0,0]=3 573 B4R0.2 CC[N-]CC 42759 [2,0,0,0,0,0|1,0,0]=3 574 B4R0.2 CC[N-]CC 42855 [2,0,0,0,0,0|1,0,0]=3 575 B4R0.2 CC[N-]CC 43419 [2,0,0,0,0,0|1,0,0]=3 576 B4R0.2 CC[SiH2]CC L16468 [2,0,0,0,0,0|0,1,0]=3 577 B4R0.2 CC[Sn+2]CC 71155 [2,0,0,0,0,0|1,0,0]=3 578 B4R0.2 CC[Zn]CC 39564 [2,0,0,0,0,0|1,0,0]=3 579 B4R0.2 CC[Zn]CC 44880 [2,0,0,0,0,0|1,0,0]=3 580 B4R0.2 CC[Zn]CC 89038 [2,0,0,0,0,0|1,0,0]=3 581 B4R0.2 CC\C=C\C A17736 [2,0,0,0,0,0|0,0,2]=4 582 B4R0.2 CC\C=C\C L09421 [2,0,0,0,0,0|0,0,2]=4 583 B4R0.2 CNCCN A12165 [2,0,0,0,0,0|2,0,0]=4 584 B4R0.2 CNCCO B23180 [2,0,0,0,0,0|1,0,0]=3 585 B4R0.2 COCCBr A15370 [2,0,0,0,0,0|2,0,0]=4 586 B4R0.2 COCCCl B24081 [2,0,0,0,0,0|2,0,0]=4 587 B4R0.2 COCCN B22924 [2,0,0,0,0,0|2,0,0]=4 588 B4R0.2 COCCO 31733 [2,0,0,0,0,0|1,0,0]=3 589 B4R0.2 COCCO 32444 [2,0,0,0,0,0|1,0,0]=3 590 B4R0.2 COCCO A17459 [2,0,0,0,0,0|1,0,0]=3 591 B4R0.2 COCC[O-] 40471 [2,0,0,0,0,0|1,0,1]=4 592 B4R0.2 COCC[O-] 41237 [2,0,0,0,0,0|1,0,1]=4 593 B4R0.2 COCC[O-] 41256 [2,0,0,0,0,0|1,0,1]=4 594 B4R0.2 COCC[O-] 41793 [2,0,0,0,0,0|1,0,1]=4 595 B4R0.2 COCC[O-] 42377 [2,0,0,0,0,0|1,0,1]=4 596 B4R0.2 COCC[O-] 42378 [2,0,0,0,0,0|1,0,1]=4 597 B4R0.2 COCC[O-] 42522 [2,0,0,0,0,0|1,0,1]=4 598 B4R0.2 COCC[O-] 42819 [2,0,0,0,0,0|1,0,1]=4 599 B4R0.2 COCC[O-] 43903 [2,0,0,0,0,0|1,0,1]=4 600 B4R0.2 COCC[O-] A13292 [2,0,0,0,0,0|1,0,1]=4 601 B4R0.2 COCOC A12055 [2,0,0,0,0,0|2,0,0]=4 602 B4R0.2 CSCCN B22941 [2,0,0,0,0,0|2,0,0]=4 603 B4R0.2 CSCCO L05442 [2,0,0,0,0,0|1,0,0]=3 604 B4R0.2 CSCSC A19706 [2,0,0,0,0,0|2,0,0]=4 605 B4R0.2 C\C=C\CO A10681 [2,0,0,0,0,0|0,0,2]=4 606 B4R0.2 [Li]CCCC 41248 [2,0,0,0,0,0|1,0,0]=3 607 B4R0.2 [Li]CCCC 43314 [2,0,0,0,0,0|1,0,0]=3 608 B4R0.2 [Li]CCCC 44109 [2,0,0,0,0,0|1,0,0]=3 609 B4R0.2 [Li]CCCC 47107 [2,0,0,0,0,0|1,0,0]=3 610 B4R0.2 [Li]CCCC H66688 [2,0,0,0,0,0|1,0,0]=3 611 B4R0.2 [Li]CCCC L13559 [2,0,0,0,0,0|1,0,0]=3 612 B4R0.2 [Li]CCCC L14775 [2,0,0,0,0,0|1,0,0]=3 613 B6R0.2 B(CC(C)C)(O)O H27698 [1,1,0,0,0,0|2,0,0]=4 614 B6R0.2 CC(C)CC(=C)C B20002 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.2 CC(C)CC(=O)C 33346 [1,1,0,0,0,0|0,0,2]=4 616 B6R0.2 CC(C)CC(=O)C 43170 [1,1,0,0,0,0|0,0,2]=4 617 B6R0.2 CC(C)CC(=O)C A11618 [1,1,0,0,0,0|0,0,2]=4 618 B6R0.2 CC(C)CC(=O)O A18642 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.2 CC(C)CC(C)C L03570 [1,1,0,0,0,0|1,0,0]=3 620 B6R0.2 CC(C)CC(C)O A13435 [1,1,0,0,0,0|0,0,0]=2 621 B6R0.2 CC(C)NC(C)C A10280 [1,1,0,0,0,0|2,0,0]=4 622 B6R0.2 CC(C)NC(C)C H61341 [1,1,0,0,0,0|2,0,0]=4 623 B6R0.2 CC(C)SC(C)C B21302 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.2 CC(C)[N-]C(C)C 47284 [1,1,0,0,0,0|2,0,0]=4 625 B6R0.2 CC(CC(=O)C)[O-] 12542 [1,1,0,0,0,0|0,0,2]=4 626 B6R0.2 CC(CC(=O)C)[O-] 44538 [1,1,0,0,0,0|0,0,2]=4 627 B6R0.2 CC(CC(=O)O)Br B25684 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.2 CC(CC(=O)O)O 43354 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.2 CC(CC(=O)O)O H30426 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.2 CC(CC(=O)[O-])O A11613 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.2 CC(CC(C)O)O L01779 [1,1,0,0,0,0|0,0,0]=2 632 B6R0.2 CC(CN(C)C)Cl B20882 [1,1,0,0,0,0|2,0,0]=4 633 B6R0.2 CC(CN(C)C)O B24234 [1,1,0,0,0,0|1,0,0]=3 634 B6R0.2 CC([O-])CC(=O)C 46727 [1,1,0,0,0,0|0,0,2]=4 635 B6R0.2 C[C@@H](CC(C)C)O L18882 [1,1,0,0,0,0|0,0,0]=2 636 B6R0.2 C[C@@H](C[C@H](C)O)O H36013 [1,1,0,0,0,0|0,0,0]=2 637 B6R0.2 C[C@H](CC(C)C)O L18881 [1,1,0,0,0,0|0,0,0]=2 638 B6R0.3 CC(C(=O)OC)O H60455 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.3 CC(C)[C@@H](CO)N L11300 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.3 CC(C)[C@H](CO)N L14166 [1,1,0,0,0,0|2,0,0]=4 641 B6R0.3 CCC(C(=O)C)S B21797 [1,1,0,0,0,0|0,0,2]=4 642 B6R0.3 CCC(C(=O)O)Br B21743 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.3 CCC(C(=O)O)Cl L20083 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.3 CCC(C(=O)O)N L06035 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.3 CCC(C(C)C)O L08015 [1,1,0,0,0,0|1,0,0]=3 646 B6R0.3 CCC(C)C(=O)C A19999 [1,1,0,0,0,0|0,0,2]=4 647 B6R0.3 CCC(C)C(=O)O A11546 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.3 CCC(C)C(C)C 43707 [1,1,0,0,0,0|1,0,0]=3 649 B6R0.3 CC[C@@H](C(=O)O)N L13984 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.3 CC[C@H](C(=O)O)N L14096 [1,1,0,0,0,0|1,0,1]=4 651 B6R0.3 C[C@@H](C(=O)OC)O B24468 [1,1,0,0,0,0|1,0,1]=4 652 B6R0.4 B(CCCC)(O)O A13725 [1,1,0,0,0,0|2,0,0]=4 653 B6R0.4 C(CC(=O)O)CBr A12870 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.4 C(CC(=O)O)CN A11016 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.4 CC(=O)CCCCl A10269 [1,1,0,0,0,0|0,0,2]=4 656 B6R0.4 CC(=O)CCSC B22206 [1,1,0,0,0,0|0,0,2]=4 657 B6R0.4 CC(C)CCC#C L06014 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.4 CC(C)CCC=C B20719 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.4 CC(C)NCCN B23391 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.4 CC(C)OCCO L13241 [1,1,0,0,0,0|2,0,0]=4 661 B6R0.4 CC(C)SCCO L05312 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.4 CC(CCCBr)Br L09842 [1,1,0,0,0,0|1,0,0]=3 663 B6R0.4 CCC#CC(C)O L11576 [1,1,0,0,0,0|0,0,1]=3 664 B6R0.4 CCCCC(=O)C A14867 [1,1,0,0,0,0|0,0,2]=4 665 B6R0.4 CCCCC(=O)O A16238 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.4 CCCCC(C)Br L03364 [1,1,0,0,0,0|1,0,0]=3 667 B6R0.4 CCCCC(C)O L05993 [1,1,0,0,0,0|0,0,0]=2 668 B6R0.4 CCCCC(C)[Zn+] H58543 [1,1,0,0,0,0|1,0,0]=3 669 B6R0.4 CCCC[C@@H](C)N L19304 [1,1,0,0,0,0|1,0,0]=3 670 B6R0.4 CCCC[C@H](C)N L19305 [1,1,0,0,0,0|1,0,0]=3 671 B6R0.4 CCCC[C@H](C)O L10401 [1,1,0,0,0,0|0,0,0]=2 672 B6R0.4 CCCC[Sn](=O)O A18290 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.4 CCCNC(C)C H50256 [1,1,0,0,0,0|1,0,0]=3 674 B6R0.4 CCCOC(=O)C L15355 [1,1,0,0,0,0|0,0,2]=4 675 B6R0.4 CCCSC(=O)C B21875 [1,1,0,0,0,0|0,0,2]=4 676 B6R0.4 CCOCC(=O)O B24194 [1,1,0,0,0,0|1,0,1]=4 677 B6R0.4 CCOCC(C)O 43306 [1,1,0,0,0,0|0,0,0]=2 678 B6R0.4 CCSCC(=O)C L04142 [1,1,0,0,0,0|0,0,2]=4 679 B6R0.4 CCSCC(=O)O L04743 [1,1,0,0,0,0|1,0,1]=4 680 B6R0.4 CN(C)CCCCl A15459 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.4 CN(C)CCCCl H65371 [1,1,0,0,0,0|2,0,0]=4 682 B6R0.4 CN(C)CCCN L03539 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.4 CN(C)CCCO A12800 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.4 CNCCN(C)C 31785 [1,1,0,0,0,0|2,0,0]=4 685 B6R0.4 CSCCC(=O)O L12861 [1,1,0,0,0,0|1,0,1]=4 686 B6R0.5 CC(C)(C)CCCl L11753 [1,1,0,0,0,0|2,0,0]=4 687 B6R0.5 CC(C)(C)CCO H30194 [1,1,0,0,0,0|2,0,0]=4 688 B6R0.5 CC(C)(CCBr)Br B20468 [1,1,0,0,0,0|2,0,0]=4 689 B6R0.5 CC(C)(COC)O L20351 [1,1,0,0,0,0|1,0,0]=3 690 B6R0.5 CC(C)(COC)[O-] 45488 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.5 CCCC(C)(C)Cl B20705 [1,1,0,0,0,0|1,0,0]=3 692 B6R0.5 CCCC(C)(C)O A19090 [1,1,0,0,0,0|0,0,0]=2 693 B6R0.5 CCC[Si](C)(C)Cl L16621 [1,1,0,0,0,0|1,1,0]=4 694 B6R0.5 CCOC(C)(C)C B22945 [1,1,0,0,0,0|2,0,0]=4 695 B6R0.6 C#CCCCCCl H53476 [1,1,0,0,0,0|0,0,2]=4 696 B6R0.6 C#CCCCCO 43370 [1,1,0,0,0,0|0,0,2]=4 697 B6R0.6 C(CBr)OCCBr L11510 [1,1,0,0,0,0|2,0,0]=4 698 B6R0.6 C(CCBr)CC#N L03952 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.6 C(CCBr)CCBr A18465 [1,1,0,0,0,0|1,0,0]=3 700 B6R0.6 C(CCCl)CC#N L01413 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.6 C(CCCl)CCBr B20479 [1,1,0,0,0,0|1,0,0]=3 702 B6R0.6 C(CCCl)CCCl A12433 [1,1,0,0,0,0|1,0,0]=3 703 B6R0.6 C(CCCl)CCI L04469 [1,1,0,0,0,0|1,0,0]=3 704 B6R0.6 C(CCCl)CC[Zn+] H58957 [1,1,0,0,0,0|1,0,0]=3 705 B6R0.6 C(CCF)CCBr H64806 [1,1,0,0,0,0|1,0,0]=3 706 B6R0.6 C(CCI)CCI A17298 [1,1,0,0,0,0|1,0,0]=3 707 B6R0.6 C(CCN)CCN B23039 [1,1,0,0,0,0|1,0,0]=3 708 B6R0.6 C(CCN)CCO H33954 [1,1,0,0,0,0|1,0,0]=3 709 B6R0.6 C(CCN)CCO L01979 [1,1,0,0,0,0|1,0,0]=3 710 B6R0.6 C(CCO)CCCl L12088 [1,1,0,0,0,0|1,0,0]=3 711 B6R0.6 C(CCO)CCO A13998 [1,1,0,0,0,0|1,0,0]=3 712 B6R0.6 C(CCS)CCS B25665 [1,1,0,0,0,0|1,0,0]=3 713 B6R0.6 C(CC[Zn+])CC#N H58897 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.6 C(CCl)NCCCl A13118 [1,1,0,0,0,0|2,0,0]=4 715 B6R0.6 C(CCl)OCCCl A14234 [1,1,0,0,0,0|2,0,0]=4 716 B6R0.6 C(CNCCN)N A11033 [1,1,0,0,0,0|2,0,0]=4 717 B6R0.6 C(CNCCO)N A10833 [1,1,0,0,0,0|2,0,0]=4 718 B6R0.6 C(CO)NCCO A13389 [1,1,0,0,0,0|2,0,0]=4 719 B6R0.6 C(COCCCl)O A13074 [1,1,0,0,0,0|2,0,0]=4 720 B6R0.6 C(COCCN)N 46833 [1,1,0,0,0,0|2,0,0]=4 721 B6R0.6 C(COCCN)N 46903 [1,1,0,0,0,0|2,0,0]=4 722 B6R0.6 C(COCCN)N 46973 [1,1,0,0,0,0|2,0,0]=4 723 B6R0.6 C(COCCO)N L18897 [1,1,0,0,0,0|2,0,0]=4 724 B6R0.6 C(COCCO)O A14728 [1,1,0,0,0,0|2,0,0]=4 725 B6R0.6 C(CSCCS)S B22304 [1,1,0,0,0,0|2,0,0]=4 726 B6R0.6 C=CCCCCBr L12909 [1,1,0,0,0,0|0,0,2]=4 727 B6R0.6 C=CCCCCCl H53396 [1,1,0,0,0,0|0,0,2]=4 728 B6R0.6 C=CCCCCO A15766 [1,1,0,0,0,0|0,0,2]=4 729 B6R0.6 C=CCCCC[Zn+] H58622 [1,1,0,0,0,0|0,0,2]=4 730 B6R0.6 CCCC#CCC H53504 [1,1,0,0,0,0|0,0,1]=3 731 B6R0.6 CCCC#CCO A13339 [1,1,0,0,0,0|0,0,2]=4 732 B6R0.6 CCCCC#CC B21528 [1,1,0,0,0,0|0,0,1]=3 733 B6R0.6 CCCCCC#C A11130 [1,1,0,0,0,0|0,0,1]=3 734 B6R0.6 CCCCCC=C L11487 [1,1,0,0,0,0|0,0,1]=3 735 B6R0.6 CCCCCC=O A16265 [1,1,0,0,0,0|0,0,1]=3 736 B6R0.6 CCCCCCBr A15166 [1,1,0,0,0,0|0,0,0]=2 737 B6R0.6 CCCCCCC 22911 [1,1,0,0,0,0|0,0,0]=2 738 B6R0.6 CCCCCCC 32441 [1,1,0,0,0,0|0,0,0]=2 739 B6R0.6 CCCCCCC 40978 [1,1,0,0,0,0|0,0,0]=2 740 B6R0.6 CCCCCCC 44457 [1,1,0,0,0,0|0,0,0]=2 741 B6R0.6 CCCCCCC 47191 [1,1,0,0,0,0|0,0,0]=2 742 B6R0.6 CCCCCCC A19894 [1,1,0,0,0,0|0,0,0]=2 743 B6R0.6 CCCCCCC H33987 [1,1,0,0,0,0|0,0,0]=2 744 B6R0.6 CCCCCCCl B22379 [1,1,0,0,0,0|0,0,0]=2 745 B6R0.6 CCCCCCI A13784 [1,1,0,0,0,0|0,0,0]=2 746 B6R0.6 CCCCCCN A15663 [1,1,0,0,0,0|0,0,0]=2 747 B6R0.6 CCCCCCO A18232 [1,1,0,0,0,0|0,0,0]=2 748 B6R0.6 CCCCCCS L09659 [1,1,0,0,0,0|0,0,0]=2 749 B6R0.6 CCCCCC[Mg+] H51167 [1,1,0,0,0,0|0,0,0]=2 750 B6R0.6 CCCCCC[Zn+] H58384 [1,1,0,0,0,0|0,0,0]=2 751 B6R0.6 CCCCCNC L04882 [1,1,0,0,0,0|0,0,0]=2 752 B6R0.6 CCCCN=C=O L05664 [1,1,0,0,0,0|1,0,1]=4 753 B6R0.6 CCCCN=C=S A10935 [1,1,0,0,0,0|1,0,1]=4 754 B6R0.6 CCCCNCC B22881 [1,1,0,0,0,0|0,0,0]=2 755 B6R0.6 CCCCOC=C B23673 [1,1,0,0,0,0|0,0,2]=4 756 B6R0.6 CCCCOC=O A13882 [1,1,0,0,0,0|1,0,1]=4 757 B6R0.6 CCCCOCC A17963 [1,1,0,0,0,0|0,0,0]=2 758 B6R0.6 CCCCON=O H56501 [1,1,0,0,0,0|2,0,0]=4 759 B6R0.6 CCCNCCC L15808 [1,1,0,0,0,0|0,0,0]=2 760 B6R0.6 CCCNCCN L03517 [1,1,0,0,0,0|1,0,0]=3 761 B6R0.6 CCCOCCC B21423 [1,1,0,0,0,0|0,0,0]=2 762 B6R0.6 CCCSCCC B23155 [1,1,0,0,0,0|0,0,0]=2 763 B6R0.6 CCCSCCO L12528 [1,1,0,0,0,0|1,0,0]=3 764 B6R0.6 CCC\C=C/CO A13734 [1,1,0,0,0,0|0,0,2]=4 765 B6R0.6 CCC\C=C\CC B25297 [1,1,0,0,0,0|0,0,1]=3 766 B6R0.6 CCC\C=C\CC H53482 [1,1,0,0,0,0|0,0,1]=3 767 B6R0.6 CCC\C=C\CO A13272 [1,1,0,0,0,0|0,0,2]=4 768 B6R0.6 CCOCCC#N A14243 [1,1,0,0,0,0|1,0,1]=4 769 B6R0.6 CCOCCCN B23694 [1,1,0,0,0,0|1,0,0]=3 770 B6R0.6 CCOCCOC B20819 [1,1,0,0,0,0|1,0,0]=3 771 B6R0.6 CCOCOCC B23134 [1,1,0,0,0,0|1,0,0]=3 772 B6R0.6 CCSCCCO B22710 [1,1,0,0,0,0|1,0,0]=3 773 B6R0.6 CC\C=C/CCO A10313 [1,1,0,0,0,0|0,0,2]=4 774 B6R0.6 CC\C=C\CCO L10541 [1,1,0,0,0,0|0,0,2]=4 775 B6R0.6 CC\C=C\OCC H26720 [1,1,0,0,0,0|0,0,2]=4 776 B6R0.6 CNCCCNC A16901 [1,1,0,0,0,0|1,0,0]=3 777 B6R0.6 COCCCCO H50339 [1,1,0,0,0,0|1,0,0]=3 778 B6R0.6 COCCOCCl L01050 [1,1,0,0,0,0|2,0,0]=4 779 B6R0.6 CSCCCCO B22673 [1,1,0,0,0,0|1,0,0]=3 780 B6R0.6 CSCCCSC B22397 [1,1,0,0,0,0|1,0,0]=3 781 B6R0.6 CSCSCSC H26435 [1,1,0,0,0,0|2,0,0]=4 782 B6R0.6 C\C=C/CCCO A19266 [1,1,0,0,0,0|0,0,2]=4 783 B6R0.6 C\C=C\CCCO H54459 [1,1,0,0,0,0|0,0,2]=4 784 B6R0.6 [Li]CCCCCC 47271 [1,1,0,0,0,0|0,0,0]=2 785 B6R0.6 [Li]CCCCCC L15102 [1,1,0,0,0,0|0,0,0]=2 786 B6R0.8 CCC(C)(C)CC 43706 [1,1,0,0,0,0|1,0,0]=3 787 B6R0.8 CCC(C)(C=C)O B20893 [1,1,0,0,0,0|0,0,2]=4 788 B6R0.8 CCP(=O)(CC)Cl H27681 [1,1,0,0,0,0|1,0,1]=4 789 B6R0.8 CC[Ge](CC)(Cl)Cl 34108 [1,1,0,0,0,0|1,1,0]=4 790 B6R0.8 CC[Si](CC)(Cl)Cl L03239 [1,1,0,0,0,0|1,1,0]=4 791 B6R0.9 B(CC)(CC)CC L15109 [1,1,0,0,0,0|2,0,0]=4 792 B6R0.9 B(CC)(CC)OC L15107 [1,1,0,0,0,0|1,0,0]=3 793 B6R0.9 CCC(CC)C=O B23465 [1,1,0,0,0,0|0,0,1]=3 794 B6R0.9 CCC(CC)CBr H26445 [1,1,0,0,0,0|1,0,0]=3 795 B6R0.9 CCC(CC)CN B20855 [1,1,0,0,0,0|1,0,0]=3 796 B6R0.9 CCC(CC)CO B21026 [1,1,0,0,0,0|0,0,0]=2 797 B6R0.9 CCC(CC)C[Zn+] H58054 [1,1,0,0,0,0|1,0,0]=3 798 B6R0.9 CCN(CC)C=O L04503 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.9 CCN(CC)CC 12391 [1,1,0,0,0,0|2,0,0]=4 800 B6R0.9 CCN(CC)CC 42962 [1,1,0,0,0,0|2,0,0]=4 801 B6R0.9 CCN(CC)CC A12646 [1,1,0,0,0,0|2,0,0]=4 802 B6R0.9 CCN(CC)CC A17318 [1,1,0,0,0,0|2,0,0]=4 803 B6R0.9 CCN(CC)CC A17926 [1,1,0,0,0,0|2,0,0]=4 804 B6R0.9 CCN(CC)CC L14417 [1,1,0,0,0,0|2,0,0]=4 805 B6R0.9 CCP(CC)CC 30177 [1,1,0,0,0,0|2,0,0]=4 806 B6R0.9 CCP(CC)CC 39284 [1,1,0,0,0,0|2,0,0]=4 807 B6R0.9 CCP(CC)CC 39823 [1,1,0,0,0,0|2,0,0]=4 808 B6R0.9 CC[Al](CC)CC 43243 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.9 CC[Al](CC)CC 89054 [1,1,0,0,0,0|2,0,0]=4 810 B6R0.9 CC[GeH](CC)CC 43176 [1,1,0,0,0,0|1,1,0]=4 811 B6R0.9 CC[NH+](CC)CC H36155 [1,1,0,0,0,0|2,0,0]=4 812 B6R0.9 CC[O+](CC)CC 42934 [1,1,0,0,0,0|2,0,0]=4 813 B6R0.9 CC[O+](CC)CC A11678 [1,1,0,0,0,0|2,0,0]=4 814 B6R0.9 CC[O+](CC)CC A14420 [1,1,0,0,0,0|2,0,0]=4 815 B6R0.9 CC[S+](CC)CC L00667 [1,1,0,0,0,0|2,0,0]=4 816 B6R0.9 CC[SiH](CC)CC A10320 [1,1,0,0,0,0|1,1,0]=4 817 B6R0.9 CC[Sn+](CC)CC 39601 [1,1,0,0,0,0|2,0,0]=4 818 B6R0.9 CC[Sn+](CC)CC 39622 [1,1,0,0,0,0|2,0,0]=4 819 B6R0.9 CC[Sn+](CC)CC 71135 [1,1,0,0,0,0|2,0,0]=4 820 B6R0.9 COC(CBr)OC A11324 [1,1,0,0,0,0|2,0,0]=4 821 B6R0.9 COC(CCl)OC B25049 [1,1,0,0,0,0|2,0,0]=4 822 B6R0.9 COC(CN)OC A15498 [1,1,0,0,0,0|2,0,0]=4 823 B6R0.9 COC(CO)OC L07099 [1,1,0,0,0,0|2,0,0]=4 824 B6R0.9 COC(OC)OC A13760 [1,1,0,0,0,0|2,0,0]=4 825 B6R0.9 [BH-](CC)(CC)CC 42491 [1,1,0,0,0,0|2,0,0]=4 826 B6R0.9 [BH-](CC)(CC)CC 89144 [1,1,0,0,0,0|2,0,0]=4 827 B8R0.2 CCC(C)C(C)C(C)O B20243 [0,2,0,0,0,0|1,0,0]=3 828 B8R0.5 CCOC(=O)CC(C)C A10292 [0,2,0,0,0,0|0,0,2]=4 829 B8R0.5 CCOC(=O)CC(C)O B21521 [0,2,0,0,0,0|0,0,2]=4 830 B8R0.16 CC(=O)CC(OC)OC A12058 [0,2,0,0,0,0|1,0,1]=4 831 B8R0.19 CCC(=O)CC(=O)CC A18165 [0,2,0,0,0,0|0,0,2]=4 832 B8R0.19 CCC(C)NC(C)CC B25690 [0,2,0,0,0,0|1,0,0]=3 833 B8R0.23 CC(=C)CC(C(=C)C)O B20072 [0,2,0,0,0,0|0,0,2]=4 834 B8R0.23 CC(C)CC(C(=O)O)O H60459 [0,2,0,0,0,0|1,0,1]=4 835 B8R0.23 CC(C)CC(C(C)C)O B20578 [0,2,0,0,0,0|0,0,0]=2 836 B8R0.34 CC(CC(C)(C)OC)O B25078 [0,2,0,0,0,0|2,0,0]=4 837 B8R0.34 CCC(C)(CC(C)C)O B20141 [0,2,0,0,0,0|0,0,0]=2 838 B8R0.1 CCCCC(=O)OCC A14854 [0,2,0,0,0,0|0,0,2]=4 839 B8R0.1 CCCCC(CC=C)O B20707 [0,2,0,0,0,0|0,0,1]=3 840 B8R0.1 CCCCN(C)CCO H50337 [0,2,0,0,0,0|2,0,0]=4 841 B8R0.1 CCOC(=O)CCCBr A13470 [0,2,0,0,0,0|0,0,2]=4 842 B8R0.1 CCOC(=O)CCCCl A11070 [0,2,0,0,0,0|0,0,2]=4 843 B8R0.1 CCOC(=O)CCCN L06863 [0,2,0,0,0,0|0,0,2]=4 844 B8R0.1 CCOC(=O)CCC[Zn+] H58023 [0,2,0,0,0,0|0,0,2]=4 845 B8R0.1 CCOC(=O)CCSC A11742 [0,2,0,0,0,0|0,0,2]=4 846 B8R0.3 C(C=O)[C@@H]([C@@H](CO)O)O A11990 [0,2,0,0,0,0|1,0,1]=4 847 B8R0.3 CCC(C(=O)OCC)Br A12729 [0,2,0,0,0,0|0,0,2]=4 848 B8R0.3 CCC(C)C(=O)OCC L06743 [0,2,0,0,0,0|0,0,2]=4 849 B8R0.3 CCCC(=O)C(CC)Br H32094 [0,2,0,0,0,0|1,0,0]=3 850 B8R0.3 CCCC(C(C)CC)O L09856 [0,2,0,0,0,0|0,0,0]=2 851 B8R0.3 CCCC(C(CO)O)O H27180 [0,2,0,0,0,0|0,0,0]=2 852 B8R0.3 CCCC(C)C(=O)OC A19812 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.3 CCCC(C)C(C#C)O H53372 [0,2,0,0,0,0|0,0,2]=4 854 B8R0.3 CCCC(C)C(CC)O B20357 [0,2,0,0,0,0|0,0,0]=2 855 B8R0.3 CCC[C@@H](C(=O)OC)N H65017 [0,2,0,0,0,0|1,0,1]=4 856 B8R0.3 CC\C=C(/C)\C(CC)O B20658 [0,2,0,0,0,0|0,0,1]=3 857 B8R0.6 C(CCO)CC(CO)O L06032 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.6 CCCCCC(=O)CC A12113 [0,2,0,0,0,0|0,0,2]=4 859 B8R0.6 CCCCCC(C#C)O A13267 [0,2,0,0,0,0|0,0,2]=4 860 B8R0.6 CCCCCC(C=C)O A12079 [0,2,0,0,0,0|0,0,2]=4 861 B8R0.6 CCCCCC(CC)O A14488 [0,2,0,0,0,0|0,0,0]=2 862 B8R0.6 CCCCC[C@@H](C#C)O L19046 [0,2,0,0,0,0|0,0,2]=4 863 B8R0.6 CCCCC[C@H](C#C)O L19045 [0,2,0,0,0,0|0,0,2]=4 864 B8R0.6 CCCCC[C@H](CC)O H66963 [0,2,0,0,0,0|0,0,0]=2 865 B8R0.6 CCCCOC(=O)CC B20125 [0,2,0,0,0,0|0,0,2]=4 866 B8R0.8 CCCCC(C(C)C)O L03492 [0,2,0,0,0,0|0,0,0]=2 867 B8R0.9 CC(=O)OCC(CO)O A14025 [0,2,0,0,0,0|1,0,1]=4 868 B8R0.9 CC(CO)OCC(C)O A18716 [0,2,0,0,0,0|2,0,0]=4 869 B8R0.9 CCC(=O)OCC(C)C H59612 [0,2,0,0,0,0|0,0,2]=4 870 B8R0.11 CCCCC(CC)C=O B23471 [0,2,0,0,0,0|0,0,1]=3 871 B8R0.11 CCCCC(CC)CBr B23532 [0,2,0,0,0,0|1,0,0]=3 872 B8R0.11 CCCCC(CC)CN A10372 [0,2,0,0,0,0|1,0,0]=3 873 B8R0.11 CCCCC(CC)CO A17104 [0,2,0,0,0,0|0,0,0]=2 874 B8R0.11 CCCCC(CC)C[O-] 44678 [0,2,0,0,0,0|0,0,1]=3 875 B8R0.11 CCCCC(CC)C[O-] 77107 [0,2,0,0,0,0|0,0,1]=3 876 B8R0.11 CCCCC(CC)C[Zn+] H58225 [0,2,0,0,0,0|1,0,0]=3 877 B8R0.11 CCCCC(CO)CO B21739 [0,2,0,0,0,0|1,0,0]=3 878 B8R0.11 CCN(CC)CCCN L13888 [0,2,0,0,0,0|2,0,0]=4 879 B8R0.11 COC(CCCN)OC B21072 [0,2,0,0,0,0|1,0,0]=3 880 B8R0.11 COCCC(OC)OC B23448 [0,2,0,0,0,0|1,0,0]=3 881 B8R0.25 CCCCC(C)(CC)O B20959 [0,2,0,0,0,0|0,0,0]=2 882 B8R0.12 CCCC(C)(C(C)C)O B24525 [0,2,0,0,0,0|0,0,0]=2 883 B8R0.14 CCCC(=O)C(C)(C)C B20612 [0,2,0,0,0,0|0,0,2]=4 884 B8R0.14 CCCC(C(C)(C)C)O B20244 [0,2,0,0,0,0|0,0,0]=2 885 B8R0.14 CCOC(C(Cl)(Cl)Cl)O L05064 [0,2,0,0,0,0|2,0,0]=4 886 B8R0.14 CCOC(C(F)(F)F)O L01554 [0,2,0,0,0,0|2,0,0]=4 887 B8R0.22 CCCC(CCC)CO H57954 [0,2,0,0,0,0|0,0,0]=2 888 B8R0.22 CCCC(CCO)SC B21786 [0,2,0,0,0,0|0,1,0]=3 889 B8R0.22 CCCN(CCC)C=O L08854 [0,2,0,0,0,0|1,0,1]=4 890 B8R0.22 CCOC(C#C)OCC L10767 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.22 CCOC(C=C)OCC B24821 [0,2,0,0,0,0|2,0,0]=4 892 B8R0.22 CCOC(CBr)OCC A13276 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.22 CCOC(CCl)OCC L07661 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.22 CCOC(CN)OCC A10427 [0,2,0,0,0,0|2,0,0]=4 895 B8R0.22 CCOC(CO)OCC L06282 [0,2,0,0,0,0|1,0,0]=3 896 B8R0.22 COC(CSC)CSC B24904 [0,2,0,0,0,0|1,0,0]=3 897 B8R0.30 CCCC(C)(CC=C)O B20826 [0,2,0,0,0,0|0,0,1]=3 898 B8R0.30 CCC[Si](CCC)(Cl)Cl L05529 [0,2,0,0,0,0|1,1,0]=4 899 B8R0.20 CCC(CC)C(CC)O A19924 [0,2,0,0,0,0|0,0,0]=2 900 B8R0.31 CCC(CC)(CC=C)O B20422 [0,2,0,0,0,0|0,0,2]=4 901 B8R0.31 CCCC(CC)(CC)O B20859 [0,2,0,0,0,0|0,0,0]=2 902 B6R1.2 C1CC(=O)OC1 A16314 [1,0,0,1,0,0|1,0,1]=4 903 B6R1.2 C1CCC(=O)C1 A14222 [1,0,0,1,0,0|0,0,2]=4 904 B6R1.2 C1CCC(C1)Br A15455 [1,0,0,1,0,0|1,0,0]=3 905 B6R1.2 C1CCC(C1)Cl B25023 [1,0,0,1,0,0|1,0,0]=3 906 B6R1.2 C1CCC(C1)I L01522 [1,0,0,1,0,0|1,0,0]=3 907 B6R1.2 C1CCC(C1)N L01966 [1,0,0,1,0,0|1,0,0]=3 908 B6R1.2 C1CCC(C1)O A15249 [1,0,0,1,0,0|0,0,0]=2 909 B6R1.2 C1CCC(C1)S 39539 [1,0,0,1,0,0|0,1,0]=3 910 B6R1.2 C1CCC(C1)S L03577 [1,0,0,1,0,0|0,1,0]=3 911 B6R1.2 C1CCC(C1)[Mg+] H51166 [1,0,0,1,0,0|1,0,0]=3 912 B6R1.2 C1CCC(C1)[Zn+] H58764 [1,0,0,1,0,0|1,0,0]=3 913 B6R1.2 C1CCS(=O)C1 A17502 [1,0,0,1,0,0|1,0,1]=4 914 B6R1.2 C1CNCC1Br H66833 [1,0,0,1,0,0|2,0,0]=4 915 B6R1.2 C1CNCC1O H64975 [1,0,0,1,0,0|1,0,0]=3 916 B6R1.2 C1CNC[C@@H]1F H26947 [1,0,0,1,0,0|2,0,0]=4 917 B6R1.2 C1CNC[C@@H]1N L11173 [1,0,0,1,0,0|2,0,0]=4 918 B6R1.2 C1CNC[C@@H]1O H52743 [1,0,0,1,0,0|1,0,0]=3 919 B6R1.2 C1CNC[C@@H]1O L19499 [1,0,0,1,0,0|1,0,0]=3 920 B6R1.2 C1CNC[C@H]1F H27536 [1,0,0,1,0,0|2,0,0]=4 921 B6R1.2 C1CNC[C@H]1N L12222 [1,0,0,1,0,0|2,0,0]=4 922 B6R1.2 C1CNC[C@H]1N L19500 [1,0,0,1,0,0|2,0,0]=4 923 B6R1.2 C1CNC[C@H]1O H52815 [1,0,0,1,0,0|1,0,0]=3 924 B6R1.2 C1CNC[C@H]1O L19498 [1,0,0,1,0,0|1,0,0]=3 925 B6R1.2 C1COC[C@@H]1O H56307 [1,0,0,1,0,0|1,0,0]=3 926 B6R1.2 C1COC[C@H]1N H66034 [1,0,0,1,0,0|2,0,0]=4 927 B6R1.2 C1COC[C@H]1O H56476 [1,0,0,1,0,0|1,0,0]=3 928 B6R1.2 CC1=CCCC1 A18816 [1,0,0,1,0,0|1,0,1]=4 929 B6R1.2 CC1=NCCC1 44853 [1,0,0,1,0,0|1,0,1]=4 930 B6R1.2 CC1=NCCO1 B24612 [1,0,0,1,0,0|1,0,1]=4 931 B6R1.2 CC1CCCC1 L03988 [1,0,0,1,0,0|1,0,0]=3 932 B6R1.2 CC1CCCN1 31902 [1,0,0,1,0,0|1,0,0]=3 933 B6R1.2 CC1CCCO1 L07356 [1,0,0,1,0,0|0,0,0]=2 934 B6R1.2 CC1CCCS1 43456 [1,0,0,1,0,0|0,1,0]=3 935 B6R1.2 CC1NCCS1 B22537 [1,0,0,1,0,0|1,1,0]=4 936 B6R1.2 CC1OCCO1 A12824 [1,0,0,1,0,0|1,0,0]=3 937 B6R1.2 CC1SCCS1 B23372 [1,0,0,1,0,0|1,1,0]=4 938 B6R1.2 CN1CCCC1 B23799 [1,0,0,1,0,0|2,0,0]=4 939 B6R1.2 C[C@@H]1CCCN1 H57885 [1,0,0,1,0,0|1,0,0]=3 940 B6R1.3 C1CC1CCO L11080 [1,0,0,1,0,0|2,0,0]=4 941 B6R1.8 CC1CC1CO H27337 [1,0,0,1,0,0|2,0,0]=4 942 B6R1.10 CC1(COC1)C H27370 [1,0,0,1,0,0|2,0,0]=4 943 B6R1.10 CC1(COC1)N H57588 [1,0,0,1,0,0|2,0,0]=4 944 B6R1.11 B(C1CC1)(O)O H26254 [1,0,0,1,0,0|2,0,0]=4 945 B6R1.11 C1CC1C(=O)O A14215 [1,0,0,1,0,0|1,0,1]=4 946 B6R1.11 CC(=O)C1CC1 A13540 [1,0,0,1,0,0|0,0,2]=4 947 B6R1.11 CC(C)C1CO1 L19291 [1,0,0,1,0,0|2,0,0]=4 948 B6R1.11 C[C@@H](C1CC1)N H27499 [1,0,0,1,0,0|1,0,0]=3 949 B6R1.11 C[C@H](C1CC1)N H26902 [1,0,0,1,0,0|1,0,0]=3 950 B6R1.1 C1CCC=CC1 A11359 [1,0,0,1,0,0|0,0,2]=4 951 B6R1.1 C1CCCCC1 22864 [1,0,0,1,0,0|0,0,0]=2 952 B6R1.1 C1CCCCC1 22919 [1,0,0,1,0,0|0,0,0]=2 953 B6R1.1 C1CCCCC1 40975 [1,0,0,1,0,0|0,0,0]=2 954 B6R1.1 C1CCCCC1 A16070 [1,0,0,1,0,0|0,0,0]=2 955 B6R1.1 C1CCCCC1 H26081 [1,0,0,1,0,0|0,0,0]=2 956 B6R1.1 C1CCNCC1 A12442 [1,0,0,1,0,0|1,0,0]=3 957 B6R1.1 C1CCNCC1 A13243 [1,0,0,1,0,0|1,0,0]=3 958 B6R1.1 C1CCOCC1 A13392 [1,0,0,1,0,0|1,0,0]=3 959 B6R1.1 C1CCSCC1 L03063 [1,0,0,1,0,0|1,0,0]=3 960 B6R1.1 C1CNCCN1 A11487 [1,0,0,1,0,0|2,0,0]=4 961 B6R1.1 C1CNCCN1 A15049 [1,0,0,1,0,0|2,0,0]=4 962 B6R1.1 C1CNCCN1 A16050 [1,0,0,1,0,0|2,0,0]=4 963 B6R1.1 C1CNCCN1 A18520 [1,0,0,1,0,0|2,0,0]=4 964 B6R1.1 C1CNCCN1 H37069 [1,0,0,1,0,0|2,0,0]=4 965 B6R1.1 C1CNCCN1 L19359 [1,0,0,1,0,0|2,0,0]=4 966 B6R1.1 C1COCCN1 31984 [1,0,0,1,0,0|2,0,0]=4 967 B6R1.1 C1COCCN1 A10355 [1,0,0,1,0,0|2,0,0]=4 968 B6R1.1 C1COCCN1 L15110 [1,0,0,1,0,0|2,0,0]=4 969 B6R1.1 C1COCCO1 22913 [1,0,0,1,0,0|2,0,0]=4 970 B6R1.1 C1COCCO1 39118 [1,0,0,1,0,0|2,0,0]=4 971 B6R1.1 C1COCCO1 43167 [1,0,0,1,0,0|2,0,0]=4 972 B6R1.1 C1COCCO1 43821 [1,0,0,1,0,0|2,0,0]=4 973 B6R1.1 C1COCCO1 A14188 [1,0,0,1,0,0|2,0,0]=4 974 B6R1.1 C1COCOC1 H54107 [1,0,0,1,0,0|2,0,0]=4 975 B6R1.1 C1CSCCN1 A15958 [1,0,0,1,0,0|2,0,0]=4 976 B6R1.1 C1CSCCN1 L19470 [1,0,0,1,0,0|2,0,0]=4 977 B6R1.1 C1CSCCO1 A18052 [1,0,0,1,0,0|2,0,0]=4 978 B6R1.1 C1CSCSC1 A10505 [1,0,0,1,0,0|2,0,0]=4 979 B6R1.6 C1C(CN1)CO H57801 [1,0,0,1,0,0|2,0,0]=4 980 B6R1.6 C1C(CO1)CN H66510 [1,0,0,1,0,0|2,0,0]=4 981 B6R1.6 C1C(CO1)CO H66333 [1,0,0,1,0,0|2,0,0]=4 982 B6R1.6 C1CC(C1)C#N A10309 [1,0,0,1,0,0|1,0,1]=4 983 B6R1.6 C1CC(C1)CO B21480 [1,0,0,1,0,0|1,0,0]=3 984 B6R1.6 C1COC1CBr H66276 [1,0,0,1,0,0|2,0,0]=4 985 B6R1.6 C1COC1CI H66525 [1,0,0,1,0,0|2,0,0]=4 986 B6R1.6 C1COC1CO H66218 [1,0,0,1,0,0|2,0,0]=4 987 B6R1.6 CNC1COC1 H57425 [1,0,0,1,0,0|2,0,0]=4 988 B6R1.6 COC1CNC1 H57769 [1,0,0,1,0,0|2,0,0]=4 989 B8R1.1 CCC1CCC(=O)C1 B20432 [0,1,0,1,0,0|0,0,2]=4 990 B8R1.1 CCC1CCC(=O)O1 A19642 [0,1,0,1,0,0|0,0,1]=3 991 B8R1.1 CCC1OCC(O1)C H31933 [0,1,0,1,0,0|0,0,0]=2 992 B8R1.1 CCC1OCC(O1)C H32187 [0,1,0,1,0,0|0,0,0]=2 993 B8R1.4 C1CC(CC(C1)O)O L04110 [0,1,0,1,0,0|0,0,0]=2 994 B8R1.4 CC1CC(CNC1)C B23435 [0,1,0,1,0,0|1,0,0]=3 995 B8R1.4 CC1CCCC(=O)O1 A19274 [0,1,0,1,0,0|0,0,2]=4 996 B8R1.4 CC1CCCC(N1)C B24524 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.4 CC1CNCC(O1)C H25954 [0,1,0,1,0,0|2,0,0]=4 998 B8R1.4 CN1CCCC(C1)O L10829 [0,1,0,1,0,0|0,0,0]=2 999 B8R1.4 C[C@@H]1CNC[C@@H](N1)C L15684 [0,1,0,1,0,0|2,0,0]=4 1000 B8R1.4 C[C@@H]1CNC[C@@H](O1)C L13007 [0,1,0,1,0,0|2,0,0]=4 1001 B8R1.4 C[C@H]1CCC[C@H](C1)O B20288 [0,1,0,1,0,0|0,0,0]=2 1002 B8R1.2 C#CC1CCCCC1 H53418 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.2 C1CC(CNC1)CO L04264 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.2 C1CC(OC=C1)CO H56124 [0,1,0,1,0,0|1,0,1]=4 1005 B8R1.2 C1CCC(=NO)CC1 A19820 [0,1,0,1,0,0|0,0,1]=3 1006 B8R1.2 C1CCC(CC1)C=O B23837 [0,1,0,1,0,0|0,0,1]=3 1007 B8R1.2 C1CCC(CC1)CBr L11343 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.2 C1CCC(CC1)CN L06501 [0,1,0,1,0,0|1,0,0]=3 1009 B8R1.2 C1CCC(CC1)CO L06538 [0,1,0,1,0,0|0,0,0]=2 1010 B8R1.2 C1CCC(CC1)C[Zn+] H58186 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.2 C1CCC(CC1)NO L03569 [0,1,0,1,0,0|0,0,0]=2 1012 B8R1.2 C1CCN(CC1)C=O B23452 [0,1,0,1,0,0|1,0,1]=4 1013 B8R1.2 C1CCNC(C1)CN L20122 [0,1,0,1,0,0|2,0,0]=4 1014 B8R1.2 C1CCNC(C1)CO H60178 [0,1,0,1,0,0|1,0,0]=3 1015 B8R1.2 C1CCOC(C1)CCl L07725 [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.2 C1CCOC(C1)CO L17417 [0,1,0,1,0,0|1,0,0]=3 1017 B8R1.2 C1CNCCC1C#N H27722 [0,1,0,1,0,0|2,0,0]=4 1018 B8R1.2 C1CNCCC1CN L11577 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.2 C1CNCCC1CO L17964 [0,1,0,1,0,0|1,0,0]=3 1020 B8R1.2 C1COC(CN1)CO H64154 [0,1,0,1,0,0|1,0,0]=3 1021 B8R1.2 C1COCCC1CO H64568 [0,1,0,1,0,0|1,0,0]=3 1022 B8R1.2 C1CO[C@H](CN1)CO H64003 [0,1,0,1,0,0|1,0,0]=3 1023 B8R1.2 C=CC1CCCCC1 L10756 [0,1,0,1,0,0|1,0,0]=3 1024 B8R1.2 CCN1CCCCC1 A16294 [0,1,0,1,0,0|2,0,0]=4 1025 B8R1.2 CCN1CCNCC1 L15539 [0,1,0,1,0,0|2,0,0]=4 1026 B8R1.2 CCN1CCOCC1 A11905 [0,1,0,1,0,0|2,0,0]=4 1027 B8R1.2 CNC1CCCCC1 L13872 [0,1,0,1,0,0|1,0,0]=3 1028 B8R1.2 COC1CCC=CO1 B24609 [0,1,0,1,0,0|1,0,1]=4 1029 B8R1.2 COC1CCCNC1 H51138 [0,1,0,1,0,0|1,0,0]=3 1030 B8R1.2 CSC1CCCCC1 L03712 [0,1,0,1,0,0|0,1,0]=3 1031 B8R1.3 C1C(SCC(S1)O)O A14620 [0,1,0,1,0,0|2,0,0]=4 1032 B8R1.3 C1CC(CCC1O)O B20446 [0,1,0,1,0,0|0,0,0]=2 1033 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N H66110 [0,1,0,1,0,0|0,0,0]=2 1034 B8R1.3 C1[C@@H](CC[C@H](C1)O)N B22365 [0,1,0,1,0,0|0,0,0]=2 1035 B8R1.3 C1[C@@H](CC[C@H](C1)O)N B25070 [0,1,0,1,0,0|0,0,0]=2 1036 B8R1.3 CC1CCC(=O)CC1 A13186 [0,1,0,1,0,0|0,0,2]=4 1037 B8R1.3 CC1CCC(CC1)Br L02640 [0,1,0,1,0,0|1,0,0]=3 1038 B8R1.3 CC1CCC(CC1)N L06125 [0,1,0,1,0,0|1,0,0]=3 1039 B8R1.3 CC1CCC(CC1)O A16734 [0,1,0,1,0,0|0,0,0]=2 1040 B8R1.3 CN1CCC(=O)CC1 A13352 [0,1,0,1,0,0|0,0,2]=4 1041 B8R1.3 CN1CCC(CC1)Cl L05699 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.3 CN1CCC(CC1)O L06415 [0,1,0,1,0,0|0,0,0]=2 1043 B8R1.3 CN1CCN(CC1)C B24419 [0,1,0,1,0,0|2,0,0]=4 1044 B8R1.3 CN1CCN(CC1)N L19108 [0,1,0,1,0,0|2,0,0]=4 1045 B8R1.3 C[C@@H]1CN[C@H](CN1)C B23150 [0,1,0,1,0,0|2,0,0]=4 1046 B8R1.3 C[C@H]1CC[C@@H](CC1)O B20054 [0,1,0,1,0,0|0,0,0]=2 1047 B8R1.3 C[C@H]1CC[C@H](CC1)O B20792 [0,1,0,1,0,0|0,0,0]=2 1048 B8R1.5 C1CCC(=O)C(C1)Cl A18613 [0,1,0,1,0,0|0,0,2]=4 1049 B8R1.5 C1CCC(=O)C(C1)F H26032 [0,1,0,1,0,0|0,0,2]=4 1050 B8R1.5 C1CCC(C(C1)N)N B24657 [0,1,0,1,0,0|1,0,0]=3 1051 B8R1.5 C1CCC(C(C1)O)O A18572 [0,1,0,1,0,0|0,0,0]=2 1052 B8R1.5 C1CC[C@@H]([C@H](C1)N)N L14072 [0,1,0,1,0,0|1,0,0]=3 1053 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br H53456 [0,1,0,1,0,0|1,0,0]=3 1054 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L06626 [0,1,0,1,0,0|1,0,0]=3 1055 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L14059 [0,1,0,1,0,0|1,0,0]=3 1056 B8R1.5 C1CC[C@H]([C@@H](C1)N)O B22324 [0,1,0,1,0,0|0,0,0]=2 1057 B8R1.5 C1CC[C@H]([C@@H](C1)O)F H26031 [0,1,0,1,0,0|0,0,0]=2 1058 B8R1.5 C1CC[C@H]([C@@H](C1)O)O L07088 [0,1,0,1,0,0|0,0,0]=2 1059 B8R1.5 C1COC(C(O1)O)O L19210 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.5 CC1C(NCCN1)C H26252 [0,1,0,1,0,0|2,0,0]=4 1061 B8R1.5 CC1CCCCC1=O A14741 [0,1,0,1,0,0|0,0,2]=4 1062 B8R1.5 CC1CCCCC1N L02285 [0,1,0,1,0,0|1,0,0]=3 1063 B8R1.5 CC1CCCCC1O A12877 [0,1,0,1,0,0|0,0,0]=2 1064 B8R1.5 C[C@@H]1CCCC[C@@H]1C 31467 [0,1,0,1,0,0|1,0,0]=3 1065 B8R1.22 C1CC(=O)CCNC1 H66355 [0,1,0,1,0,0|0,0,2]=4 1066 B8R1.22 C1CCC(=O)NCC1 L06999 [0,1,0,1,0,0|0,0,2]=4 1067 B8R1.22 C1CCC(=O)OCC1 A10299 [0,1,0,1,0,0|0,0,2]=4 1068 B8R1.22 C1CCC(=O)[N-]CC1 44686 [0,1,0,1,0,0|0,0,2]=4 1069 B8R1.22 C1CCCC(=O)CC1 A13421 [0,1,0,1,0,0|0,0,2]=4 1070 B8R1.22 C1CCCC(CC1)Br B23110 [0,1,0,1,0,0|1,0,0]=3 1071 B8R1.22 C1CCCC(CC1)N L01699 [0,1,0,1,0,0|1,0,0]=3 1072 B8R1.22 CN1CCCNCC1 H55441 [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.50 CC1CCC(C1O)O B20440 [0,1,0,1,0,0|0,0,0]=2 1074 B8R1.52 C#CC1(CCCC1)O B23109 [0,1,0,1,0,0|0,0,2]=4 1075 B8R1.52 CCC1(CCCC1)O H66809 [0,1,0,1,0,0|0,0,0]=2 1076 B8R1.52 CC[N+]1(CCCC1)C H66050 [0,1,0,1,0,0|2,0,0]=4 1077 B8R1.7 C1CC(OC1)C(=O)O B22927 [0,1,0,1,0,0|1,0,1]=4 1078 B8R1.7 C1C[C@@H](OC1)C(=O)O L19410 [0,1,0,1,0,0|1,0,1]=4 1079 B8R1.7 C1C[C@H](OC1)C(=O)O L19411 [0,1,0,1,0,0|1,0,1]=4 1080 B8R1.7 CC(=O)C1CCCC1 H64744 [0,1,0,1,0,0|1,0,1]=4 1081 B8R1.7 CC(C1CCCC1)O L03446 [0,1,0,1,0,0|1,0,0]=3 1082 B8R1.37 CCOC(=O)C1CC1 B24870 [0,1,0,1,0,0|0,0,2]=4 1083 B8R1.8 C#CCC1CCCC1 L11514 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.8 C1CCC(C1)CCO B22344 [0,1,0,1,0,0|1,0,0]=3 1085 B8R1.8 C1CCN(C1)CCCl B22236 [0,1,0,1,0,0|2,0,0]=4 1086 B8R1.8 C1CCN(C1)CCN B24645 [0,1,0,1,0,0|2,0,0]=4 1087 B8R1.8 C1CCN(C1)CCO H60368 [0,1,0,1,0,0|2,0,0]=4 1088 B8R1.8 C1COC(O1)CCBr A11441 [0,1,0,1,0,0|1,0,0]=3 1089 B8R1.8 C1COC(O1)CC[Zn+] H58916 [0,1,0,1,0,0|1,0,0]=3 1090 B8R1.8 C=CCC1CCCC1 B20228 [0,1,0,1,0,0|1,0,1]=4 1091 B8R1.8 COC[C@@H]1CCCN1 L09608 [0,1,0,1,0,0|1,0,0]=3 1092 B8R1.8 COC[C@H]1CCCN1 L19492 [0,1,0,1,0,0|1,0,0]=3 1093 B8R1.11 CCN1CCCC1=O B24548 [0,1,0,1,0,0|0,0,2]=4 1094 B8R1.11 CN1CCC[C@H]1CO H62573 [0,1,0,1,0,0|1,0,0]=3 1095 B8R1.72 C1CC(CNC1)(F)F L19777 [0,1,0,1,0,0|2,0,0]=4 1096 B8R1.72 C1CNCCC1(F)F L19555 [0,1,0,1,0,0|2,0,0]=4 1097 B8R1.72 CC1(CCCCC1)O L00967 [0,1,0,1,0,0|0,0,0]=2 1098 B8R1.72 CC1(CCCNC1)C H25753 [0,1,0,1,0,0|2,0,0]=4 1099 B8R1.60 C1C(CO1)(CO)CBr H57413 [0,1,0,1,0,0|2,0,0]=4 1100 B8R1.60 CCC1(COC1)CO H53497 [0,1,0,1,0,0|1,0,0]=3 1101 B8R2.34 C1CC2CC1C=C2 L11103 [0,0,0,2,0,0|1,0,1]=4 1102 B8R2.34 C1CC2CCC1O2 B22612 [0,0,0,2,0,0|0,0,0]=2 1103 B8R2.34 C1[C@H]2CNC1CN2 L20170 [0,0,0,2,0,0|2,0,0]=4 1104 B8R2.25 C1CCC2C(C1)O2 A13185 [0,0,0,2,0,0|0,0,0]=2 1105 B8R2.42 C1CNC12COC2 H57658 [0,0,0,2,0,0|2,0,0]=4