0 B6R0.6 C#CCCCC#C H102744 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCCCC#N H468765 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCCCCCl C154119 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C#CCCCCI I168988 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C#CCCCCN H586162 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C#CCCCCO H107735 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.6 C#CCOCCI I587547 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C#CCOCCN P404874 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 C#CCOCCO P189135 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 C(CBr)NCCBr B184524 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 C(CBr)OCCBr B122644 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 C(CC#N)CC#N G156831 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C(CC=O)CC=O G105905 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 C(CC=O)CC=O G105906 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.6 C(CC=O)CC=O G105907 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 C(CC=O)CC=O G105908 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 C(CC=O)CC=O G359127 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 C(CC=O)CC=O G598815 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 C(CC=O)CC=O G639768 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 C(CCBr)CC#N B124218 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 C(CCBr)CCBr D106538 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.6 C(CCCl)CC#N C153827 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 C(CCCl)CCBr B109691 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.6 C(CCCl)CCCl D105687 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.6 C(CCF)CCBr B303673 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 C(CCI)CCI D155300 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 C(CCN)CCN D111805 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 C(CCN)CCN D121817 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 C(CCN)CCN D283638 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.6 C(CCN)CCN D421724 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 C(CCN)CCO A107210 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.6 C(CCN)CCO A565375 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.6 C(CCO)CCBr B135090 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.6 C(CCO)CCCl C153897 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.6 C(CCO)CCO P105588 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.6 C(CCS)CCS P102332 [0,0,0,0,0,0|2,1,0]=3 36 B6R0.6 C(CCl)NCCCl B109734 [0,0,0,0,0,0|4,0,0]=4 37 B6R0.6 C(CCl)OCCCl C107457 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.6 C(CN)CN=[N+]=[N-] A151380 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.6 C(CN=C=O)CCl C107897 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.6 C(CN=[N+]=[N-])CO A464136 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.6 C(CNCCN)N D100056 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.6 C(CNCCN)N D100058 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.6 C(CNCCN)N D100059 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.6 C(CNCCN)N D301794 [0,0,0,0,0,0|4,0,0]=4 45 B6R0.6 C(CNCCO)N H100512 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.6 C(CNCCO)N H100513 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.6 C(CO)NCCCl C588449 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.6 C(CO)NCCO D112357 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.6 C(CO)NCCO D112358 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.6 C(CO)NCCO D112360 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 C(CO)NCCO D112361 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.6 C(CO)NCCO D155708 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.6 C(CO)NCCO D301793 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.6 C(COCCBr)O B339979 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.6 C(COCCCl)O C118686 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.6 C(COCCI)O I586943 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.6 C(COCCN)N O159975 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.6 C(COCCN)N O160013 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.6 C(COCCO)N A109910 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.6 C(COCCO)N A301832 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.6 C(COCCO)O D110831 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.6 C(COCCO)O D110832 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.6 C(COCCO)O D110833 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.6 C(COCCO)O D110834 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.6 C(COCCO)O D476199 [0,0,0,0,0,0|3,0,0]=3 66 B6R0.6 C(CON)CON O340897 [0,0,0,0,0,0|3,1,0]=4 67 B6R0.6 C(CS)OCCS B152747 [0,0,0,0,0,0|3,1,0]=4 68 B6R0.6 C(CSCCS)S B152744 [0,0,0,0,0,0|3,1,0]=4 69 B6R0.6 C=CCCCC#N H157042 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.6 C=CCCCC=C H157269 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.6 C=CCCCCBr B122541 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.6 C=CCCCCCl C115790 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.6 C=CCCCCO H113637 [0,0,0,0,0,0|1,0,1]=2 74 B6R0.6 C=CCOCCO A303300 [0,0,0,0,0,0|2,0,1]=3 75 B6R0.6 C=CCOCCO A303301 [0,0,0,0,0,0|2,0,1]=3 76 B6R0.6 C=CCOCCO E156080 [0,0,0,0,0,0|2,0,1]=3 77 B6R0.6 CC=CC=CCO I167855 [0,0,0,0,0,0|1,0,3]=4 78 B6R0.6 CC=CC=CCO T470463 [0,0,0,0,0,0|1,0,3]=4 79 B6R0.6 CC=CCCCO H300983 [0,0,0,0,0,0|1,0,1]=2 80 B6R0.6 CCC#CCCO H157360 [0,0,0,0,0,0|1,0,2]=3 81 B6R0.6 CCC=CCCO C426965 [0,0,0,0,0,0|1,0,2]=3 82 B6R0.6 CCC=CCCO H112690 [0,0,0,0,0,0|1,0,2]=3 83 B6R0.6 CCC=CCCO L106205 [0,0,0,0,0,0|1,0,2]=3 84 B6R0.6 CCCC#CCO H157375 [0,0,0,0,0,0|1,0,2]=3 85 B6R0.6 CCCC=CCO C153482 [0,0,0,0,0,0|1,0,2]=3 86 B6R0.6 CCCC=CCO H102077 [0,0,0,0,0,0|1,0,2]=3 87 B6R0.6 CCCCCC#C H100842 [0,0,0,0,0,0|2,0,1]=3 88 B6R0.6 CCCCCC#N H157040 [0,0,0,0,0,0|2,0,1]=3 89 B6R0.6 CCCCCC=C H110653 [0,0,0,0,0,0|2,0,1]=3 90 B6R0.6 CCCCCC=C H110654 [0,0,0,0,0,0|2,0,1]=3 91 B6R0.6 CCCCCC=C H110655 [0,0,0,0,0,0|2,0,1]=3 92 B6R0.6 CCCCCC=O C109199 [0,0,0,0,0,0|1,0,2]=3 93 B6R0.6 CCCCCC=O C109200 [0,0,0,0,0,0|1,0,2]=3 94 B6R0.6 CCCCCCBr B105244 [0,0,0,0,0,0|2,0,0]=2 95 B6R0.6 CCCCCCBr B471923 [0,0,0,0,0,0|2,0,0]=2 96 B6R0.6 CCCCCCC H108102 [0,0,0,0,0,0|2,0,0]=2 97 B6R0.6 CCCCCCC H108103 [0,0,0,0,0,0|2,0,0]=2 98 B6R0.6 CCCCCCC H108105 [0,0,0,0,0,0|2,0,0]=2 99 B6R0.6 CCCCCCC H108108 [0,0,0,0,0,0|2,0,0]=2 100 B6R0.6 CCCCCCC H108111 [0,0,0,0,0,0|2,0,0]=2 101 B6R0.6 CCCCCCC H108112 [0,0,0,0,0,0|2,0,0]=2 102 B6R0.6 CCCCCCC H118382 [0,0,0,0,0,0|2,0,0]=2 103 B6R0.6 CCCCCCC H119701 [0,0,0,0,0,0|2,0,0]=2 104 B6R0.6 CCCCCCCl C109280 [0,0,0,0,0,0|2,0,0]=2 105 B6R0.6 CCCCCCCl C109281 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.6 CCCCCCI I157578 [0,0,0,0,0,0|2,0,0]=2 107 B6R0.6 CCCCCCN H105333 [0,0,0,0,0,0|2,0,0]=2 108 B6R0.6 CCCCCCN H157035 [0,0,0,0,0,0|2,0,0]=2 109 B6R0.6 CCCCCCN H292813 [0,0,0,0,0,0|2,0,0]=2 110 B6R0.6 CCCCCCN H491868 [0,0,0,0,0,0|2,0,0]=2 111 B6R0.6 CCCCCCO H103420 [0,0,0,0,0,0|1,0,0]=1 112 B6R0.6 CCCCCCO H103421 [0,0,0,0,0,0|1,0,0]=1 113 B6R0.6 CCCCCCO H103422 [0,0,0,0,0,0|1,0,0]=1 114 B6R0.6 CCCCCCO H103423 [0,0,0,0,0,0|1,0,0]=1 115 B6R0.6 CCCCCCO H119678 [0,0,0,0,0,0|1,0,0]=1 116 B6R0.6 CCCCCCS H100786 [0,0,0,0,0,0|1,1,0]=2 117 B6R0.6 CCCCCCS H299109 [0,0,0,0,0,0|1,1,0]=2 118 B6R0.6 CCCCCC[NH3+] H292817 [0,0,0,0,0,0|2,0,0]=2 119 B6R0.6 CCCCCC[NH3+] H492547 [0,0,0,0,0,0|2,0,0]=2 120 B6R0.6 CCCCCC[Si] H357381 [0,0,0,0,0,0|2,0,0]=2 121 B6R0.6 CCCCCNC M124210 [0,0,0,0,0,0|2,0,0]=2 122 B6R0.6 CCCCCSC A151354 [0,0,0,0,0,0|1,0,0]=1 123 B6R0.6 CCCCN=C=S B111865 [0,0,0,0,0,0|2,1,1]=4 124 B6R0.6 CCCCNCC N158928 [0,0,0,0,0,0|3,0,0]=3 125 B6R0.6 CCCCOC=C B123186 [0,0,0,0,0,0|3,0,1]=4 126 B6R0.6 CCCCOC=C B123187 [0,0,0,0,0,0|3,0,1]=4 127 B6R0.6 CCCCOC=O B109260 [0,0,0,0,0,0|2,0,2]=4 128 B6R0.6 CCCCOC=O B109261 [0,0,0,0,0,0|2,0,2]=4 129 B6R0.6 CCCCON=O B134686 [0,0,0,0,0,0|3,0,1]=4 130 B6R0.6 CCCCSCC B152507 [0,0,0,0,0,0|3,0,0]=3 131 B6R0.6 CCCNCCC D100329 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.6 CCCNCCC D100330 [0,0,0,0,0,0|3,0,0]=3 133 B6R0.6 CCCNCCC D154684 [0,0,0,0,0,0|3,0,0]=3 134 B6R0.6 CCCNCCC D404364 [0,0,0,0,0,0|3,0,0]=3 135 B6R0.6 CCCNCCN N336391 [0,0,0,0,0,0|3,0,0]=3 136 B6R0.6 CCCOCCC P160596 [0,0,0,0,0,0|3,0,0]=3 137 B6R0.6 CCCOCCCl C137234 [0,0,0,0,0,0|3,0,0]=3 138 B6R0.6 CCCOCCN P160362 [0,0,0,0,0,0|3,0,0]=3 139 B6R0.6 CCCOCCO P107659 [0,0,0,0,0,0|2,0,0]=2 140 B6R0.6 CCCOCCO P299319 [0,0,0,0,0,0|2,0,0]=2 141 B6R0.6 CCCSCC=C A135608 [0,0,0,0,0,0|3,0,1]=4 142 B6R0.6 CCCSCCC D102909 [0,0,0,0,0,0|3,0,0]=3 143 B6R0.6 CCNCCCO E300231 [0,0,0,0,0,0|2,0,0]=2 144 B6R0.6 CCOCCC#N E132079 [0,0,0,0,0,0|3,0,1]=4 145 B6R0.6 CCOCCCN E156297 [0,0,0,0,0,0|3,0,0]=3 146 B6R0.6 CCOCCCO E108059 [0,0,0,0,0,0|2,0,0]=2 147 B6R0.6 CCOCCOC E331012 [0,0,0,0,0,0|2,1,0]=3 148 B6R0.6 CCOCOCC D109106 [0,0,0,0,0,0|4,0,0]=4 149 B6R0.6 CCOCOCC D139939 [0,0,0,0,0,0|4,0,0]=4 150 B6R0.6 CCSCCCO E300079 [0,0,0,0,0,0|2,0,0]=2 151 B6R0.6 CNCCCCO M193351 [0,0,0,0,0,0|1,0,0]=1 152 B6R0.6 CNCCCNC D124206 [0,0,0,0,0,0|3,0,0]=3 153 B6R0.6 COCCCCBr B152834 [0,0,0,0,0,0|1,1,0]=2 154 B6R0.6 COCCCCO B152046 [0,0,0,0,0,0|0,1,0]=1 155 B6R0.6 COCCN=C=S M300207 [0,0,0,0,0,0|1,2,1]=4 156 B6R0.6 COCCOCCl M113466 [0,0,0,0,0,0|2,1,0]=3 157 B6R0.6 COCOCCBr B165961 [0,0,0,0,0,0|2,1,0]=3 158 B6R0.6 CSCCCCO M468928 [0,0,0,0,0,0|0,0,0]=0 159 B5R0.2 C#CCCCCl C107731 [1,0,0,0,0,0|1,0,2]=4 160 B5R0.2 C#CCCCI I465322 [1,0,0,0,0,0|1,0,2]=4 161 B5R0.2 C#CCCCO P106295 [1,0,0,0,0,0|0,0,2]=3 162 B5R0.2 C(C#CCCl)O C166985 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.2 C(C#CCO)O B103672 [1,0,0,0,0,0|0,1,2]=4 164 B5R0.2 C(C#CCO)O B103673 [1,0,0,0,0,0|0,1,2]=4 165 B5R0.2 C(C#CCO)O B103675 [1,0,0,0,0,0|0,1,2]=4 166 B5R0.2 C(C=CCO)O B107560 [1,0,0,0,0,0|0,1,2]=4 167 B5R0.2 C(C=CCO)O B111227 [1,0,0,0,0,0|0,1,2]=4 168 B5R0.2 C(C=CCO)O T162684 [1,0,0,0,0,0|0,1,2]=4 169 B5R0.2 C(CC#N)CBr B152157 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.2 C(CC#N)CCl C102368 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.2 C(CCBr)CBr D105749 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.2 C(CCBr)CCl B109690 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.2 C(CCBr)CF B122542 [1,0,0,0,0,0|2,0,0]=3 174 B5R0.2 C(CCBr)CN B163034 [1,0,0,0,0,0|2,0,0]=3 175 B5R0.2 C(CCBr)CO B136242 [1,0,0,0,0,0|1,0,0]=2 176 B5R0.2 C(CCCl)CCl D103409 [1,0,0,0,0,0|2,0,0]=3 177 B5R0.2 C(CCCl)CO C118833 [1,0,0,0,0,0|1,0,0]=2 178 B5R0.2 C(CCI)CCl C153542 [1,0,0,0,0,0|2,0,0]=3 179 B5R0.2 C(CCI)CI D155304 [1,0,0,0,0,0|2,0,0]=3 180 B5R0.2 C(CCN)CN B292804 [1,0,0,0,0,0|2,0,0]=3 181 B5R0.2 C(CCN)CN B304967 [1,0,0,0,0,0|2,0,0]=3 182 B5R0.2 C(CCN)CN B492953 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.2 C(CCN)CN D106194 [1,0,0,0,0,0|2,0,0]=3 184 B5R0.2 C(CCN)CN D423441 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.2 C(CCN)CN D472054 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.2 C(CCO)CN A109739 [1,0,0,0,0,0|1,0,0]=2 187 B5R0.2 C(CCO)CO B110391 [1,0,0,0,0,0|0,1,0]=2 188 B5R0.2 C(CCO)CO B110394 [1,0,0,0,0,0|0,1,0]=2 189 B5R0.2 C(CCO)CO B110395 [1,0,0,0,0,0|0,1,0]=2 190 B5R0.2 C(CCS)CO M338696 [1,0,0,0,0,0|0,0,0]=1 191 B5R0.2 C(CCS)CS B152757 [1,0,0,0,0,0|0,1,0]=2 192 B5R0.2 C(CCS)CS B419814 [1,0,0,0,0,0|0,1,0]=2 193 B5R0.2 C(CCl)OCCl C140412 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.2 C(CO)N=[N+]=[N-] A302966 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.2 C=CCCCBr B107734 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.2 C=CCCCO P103073 [1,0,0,0,0,0|0,0,2]=3 197 B5R0.2 C=COCCO E135293 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.2 CC#CCCO P160656 [1,0,0,0,0,0|0,0,2]=3 199 B5R0.2 CCC#CCBr B136107 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.2 CCC#CCC H157357 [1,0,0,0,0,0|1,0,2]=4 201 B5R0.2 CCC#CCO P160655 [1,0,0,0,0,0|0,0,2]=3 202 B5R0.2 CCC=CCC C153487 [1,0,0,0,0,0|1,0,2]=4 203 B5R0.2 CCC=CCC H157267 [1,0,0,0,0,0|1,0,2]=4 204 B5R0.2 CCC=CCC T162372 [1,0,0,0,0,0|1,0,2]=4 205 B5R0.2 CCC=CCO C153493 [1,0,0,0,0,0|0,0,2]=3 206 B5R0.2 CCC=CCO T299958 [1,0,0,0,0,0|0,0,2]=3 207 B5R0.2 CCCC#CC H157356 [1,0,0,0,0,0|1,0,1]=3 208 B5R0.2 CCCC=CC C153486 [1,0,0,0,0,0|1,0,1]=3 209 B5R0.2 CCCC=CC H157262 [1,0,0,0,0,0|1,0,1]=3 210 B5R0.2 CCCC=CC T162371 [1,0,0,0,0,0|1,0,1]=3 211 B5R0.2 CCCC=NO B152406 [1,0,0,0,0,0|1,0,1]=3 212 B5R0.2 CCCCC#C H106703 [1,0,0,0,0,0|1,0,1]=3 213 B5R0.2 CCCCC#N B100431 [1,0,0,0,0,0|1,0,1]=3 214 B5R0.2 CCCCC#N B100432 [1,0,0,0,0,0|1,0,1]=3 215 B5R0.2 CCCCC=C H109530 [1,0,0,0,0,0|1,0,1]=3 216 B5R0.2 CCCCC=C H109531 [1,0,0,0,0,0|1,0,1]=3 217 B5R0.2 CCCCC=C H109532 [1,0,0,0,0,0|1,0,1]=3 218 B5R0.2 CCCCC=C H109533 [1,0,0,0,0,0|1,0,1]=3 219 B5R0.2 CCCCC=O V103717 [1,0,0,0,0,0|0,0,2]=3 220 B5R0.2 CCCCCBr B104782 [1,0,0,0,0,0|1,0,0]=2 221 B5R0.2 CCCCCBr B305762 [1,0,0,0,0,0|1,0,0]=2 222 B5R0.2 CCCCCC H100107 [1,0,0,0,0,0|1,0,0]=2 223 B5R0.2 CCCCCC H109653 [1,0,0,0,0,0|1,0,0]=2 224 B5R0.2 CCCCCC H109654 [1,0,0,0,0,0|1,0,0]=2 225 B5R0.2 CCCCCC H109656 [1,0,0,0,0,0|1,0,0]=2 226 B5R0.2 CCCCCC H109659 [1,0,0,0,0,0|1,0,0]=2 227 B5R0.2 CCCCCC H119662 [1,0,0,0,0,0|1,0,0]=2 228 B5R0.2 CCCCCC H121283 [1,0,0,0,0,0|1,0,0]=2 229 B5R0.2 CCCCCC H140380 [1,0,0,0,0,0|1,0,0]=2 230 B5R0.2 CCCCCC H298923 [1,0,0,0,0,0|1,0,0]=2 231 B5R0.2 CCCCCC N431441 [1,0,0,0,0,0|1,0,0]=2 232 B5R0.2 CCCCCCl C109473 [1,0,0,0,0,0|1,0,0]=2 233 B5R0.2 CCCCCCl C109474 [1,0,0,0,0,0|1,0,0]=2 234 B5R0.2 CCCCCF F171115 [1,0,0,0,0,0|1,0,0]=2 235 B5R0.2 CCCCCI I104798 [1,0,0,0,0,0|1,0,0]=2 236 B5R0.2 CCCCCN A105343 [1,0,0,0,0,0|1,0,0]=2 237 B5R0.2 CCCCCN P292685 [1,0,0,0,0,0|1,0,0]=2 238 B5R0.2 CCCCCN P292697 [1,0,0,0,0,0|1,0,0]=2 239 B5R0.2 CCCCCN P292701 [1,0,0,0,0,0|1,0,0]=2 240 B5R0.2 CCCCCN P494144 [1,0,0,0,0,0|1,0,0]=2 241 B5R0.2 CCCCCO N350217 [1,0,0,0,0,0|0,0,0]=1 242 B5R0.2 CCCCCO P108125 [1,0,0,0,0,0|0,0,0]=1 243 B5R0.2 CCCCCO P108126 [1,0,0,0,0,0|0,0,0]=1 244 B5R0.2 CCCCCO P108127 [1,0,0,0,0,0|0,0,0]=1 245 B5R0.2 CCCCCO P108128 [1,0,0,0,0,0|0,0,0]=1 246 B5R0.2 CCCCCO P108129 [1,0,0,0,0,0|0,0,0]=1 247 B5R0.2 CCCCCO P108130 [1,0,0,0,0,0|0,0,0]=1 248 B5R0.2 CCCCCS A100028 [1,0,0,0,0,0|0,1,0]=2 249 B5R0.2 CCCCOC B152821 [1,0,0,0,0,0|0,1,0]=2 250 B5R0.2 CCCCON O184596 [1,0,0,0,0,0|1,1,0]=3 251 B5R0.2 CCCCSC B152508 [1,0,0,0,0,0|0,0,0]=1 252 B5R0.2 CCCC[Sn]Cl B302420 [1,0,0,0,0,0|2,0,0]=3 253 B5R0.2 CCCN=C=S P140610 [1,0,0,0,0,0|1,1,1]=4 254 B5R0.2 CCCNCC N159096 [1,0,0,0,0,0|2,0,0]=3 255 B5R0.2 CCCOC=C P137362 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.2 CCCOC=O P160055 [1,0,0,0,0,0|1,0,2]=4 257 B5R0.2 CCCOCC E156162 [1,0,0,0,0,0|2,0,0]=3 258 B5R0.2 CCCSCC E134963 [1,0,0,0,0,0|2,0,0]=3 259 B5R0.2 CCCSSC M103114 [1,0,0,0,0,0|1,0,0]=2 260 B5R0.2 CCNCCN N138023 [1,0,0,0,0,0|2,0,0]=3 261 B5R0.2 CCNCCO E156112 [1,0,0,0,0,0|1,0,0]=2 262 B5R0.2 CCNCCO E301665 [1,0,0,0,0,0|1,0,0]=2 263 B5R0.2 CCNNCC D487275 [1,0,0,0,0,0|3,0,0]=4 264 B5R0.2 CCOC=CC E122346 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.2 CCOCC=C A151091 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.2 CCOCCBr B152837 [1,0,0,0,0,0|2,0,0]=3 267 B5R0.2 CCOCCCl C153264 [1,0,0,0,0,0|2,0,0]=3 268 B5R0.2 CCOCCN E156296 [1,0,0,0,0,0|2,0,0]=3 269 B5R0.2 CCOCCO E110821 [1,0,0,0,0,0|1,0,0]=2 270 B5R0.2 CCOCCO E110822 [1,0,0,0,0,0|1,0,0]=2 271 B5R0.2 CCOCCO E118463 [1,0,0,0,0,0|1,0,0]=2 272 B5R0.2 CCSCCCl C102885 [1,0,0,0,0,0|2,0,0]=3 273 B5R0.2 CCSCCN E170901 [1,0,0,0,0,0|2,0,0]=3 274 B5R0.2 CCSCCN E300178 [1,0,0,0,0,0|2,0,0]=3 275 B5R0.2 CCSCCO E156428 [1,0,0,0,0,0|1,0,0]=2 276 B5R0.2 CCSSCC D140646 [1,0,0,0,0,0|3,0,0]=4 277 B5R0.2 CC[Se][Se]CC D155798 [1,0,0,0,0,0|3,0,0]=4 278 B5R0.2 CNCCC#N M104316 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.2 CNCCCN N104493 [1,0,0,0,0,0|2,0,0]=3 280 B5R0.2 CNCCCO M133702 [1,0,0,0,0,0|1,0,0]=2 281 B5R0.2 CNCCNC D106275 [1,0,0,0,0,0|2,0,0]=3 282 B5R0.2 CNCCOC N159090 [1,0,0,0,0,0|1,1,0]=3 283 B5R0.2 COCCC#N M158577 [1,0,0,0,0,0|1,1,1]=4 284 B5R0.2 COCCCBr B136284 [1,0,0,0,0,0|1,1,0]=3 285 B5R0.2 COCCCCl C108061 [1,0,0,0,0,0|1,1,0]=3 286 B5R0.2 COCCCN M134485 [1,0,0,0,0,0|1,1,0]=3 287 B5R0.2 COCCCN M587821 [1,0,0,0,0,0|1,1,0]=3 288 B5R0.2 COCCCO M107732 [1,0,0,0,0,0|0,1,0]=2 289 B5R0.2 COCCOC D299631 [1,0,0,0,0,0|1,1,0]=3 290 B5R0.2 COCCOC E104387 [1,0,0,0,0,0|1,1,0]=3 291 B5R0.2 COCCOC E104388 [1,0,0,0,0,0|1,1,0]=3 292 B5R0.2 COCCOC E104391 [1,0,0,0,0,0|1,1,0]=3 293 B5R0.2 COCCOC E119676 [1,0,0,0,0,0|1,1,0]=3 294 B5R0.2 COCCOC I282413 [1,0,0,0,0,0|1,1,0]=3 295 B5R0.2 COCCOC P107530 [1,0,0,0,0,0|1,1,0]=3 296 B5R0.2 COCCOC P432396 [1,0,0,0,0,0|1,1,0]=3 297 B5R0.2 COCCOC P432397 [1,0,0,0,0,0|1,1,0]=3 298 B5R0.2 COCCOC P432398 [1,0,0,0,0,0|1,1,0]=3 299 B5R0.2 CSCCC=O M109548 [1,0,0,0,0,0|0,0,2]=3 300 B5R0.2 CSCCCN M158420 [1,0,0,0,0,0|1,0,0]=2 301 B5R0.2 CSCCCO M102967 [1,0,0,0,0,0|0,0,0]=1 302 B5R0.2 CSSCC=C M103119 [1,0,0,0,0,0|1,0,2]=4 303 B5R0.2 OCCCCO P487355 [1,0,0,0,0,0|0,1,0]=2 304 B7R0.1 C#CCCCCC#C O110225 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.1 C#CCCCCC#N H157373 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.1 C#CCCCCCO H135241 [0,1,0,0,0,0|1,0,1]=3 307 B7R0.1 C(CCC#N)CC#N A463039 [0,1,0,0,0,0|3,0,0]=4 308 B7R0.1 C(CCC#N)CC#N N104487 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.1 C(CCC#N)CCN A303171 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.1 C(CCC=O)CC=O A302164 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.1 C(CCCBr)CCBr D106541 [0,1,0,0,0,0|2,0,0]=3 312 B7R0.1 C(CCCBr)CCCl B111196 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.1 C(CCCBr)CCF B405383 [0,1,0,0,0,0|2,0,0]=3 314 B7R0.1 C(CCCBr)CCO B138834 [0,1,0,0,0,0|1,0,0]=2 315 B7R0.1 C(CCCBr)CCO S304692 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.1 C(CCCCl)CCCl D110131 [0,1,0,0,0,0|2,0,0]=3 317 B7R0.1 C(CCCCl)CCO C109454 [0,1,0,0,0,0|1,0,0]=2 318 B7R0.1 C(CCCI)CCCl C153665 [0,1,0,0,0,0|2,0,0]=3 319 B7R0.1 C(CCCI)CCI D119377 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.1 C(CCCN)CCN D134228 [0,1,0,0,0,0|2,0,0]=3 321 B7R0.1 C(CCCN)CCN H103908 [0,1,0,0,0,0|2,0,0]=3 322 B7R0.1 C(CCCN)CCN H103909 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.1 C(CCCN)CCN H103910 [0,1,0,0,0,0|2,0,0]=3 324 B7R0.1 C(CCCO)CCN A101232 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.1 C(CCCO)CCO H103707 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.1 C(CCCO)CCO H103708 [0,1,0,0,0,0|1,0,0]=2 327 B7R0.1 C(CCCS)CCN A487010 [0,1,0,0,0,0|1,1,0]=3 328 B7R0.1 C(CCCS)CCO M123042 [0,1,0,0,0,0|1,0,0]=2 329 B7R0.1 C(CCCS)CCO M299208 [0,1,0,0,0,0|1,0,0]=2 330 B7R0.1 C(CCCS)CCS H106695 [0,1,0,0,0,0|1,1,0]=3 331 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [0,1,0,0,0,0|2,0,0]=3 332 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [0,1,0,0,0,0|2,0,0]=3 333 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.1 C(CN)CNCCO N184580 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.1 C(CN)CNCCS A134805 [0,1,0,0,0,0|2,1,0]=4 336 B7R0.1 C(CNCCN)CO N159094 [0,1,0,0,0,0|2,0,0]=3 337 B7R0.1 C(CO)C=CCCO H341806 [0,1,0,0,0,0|1,0,2]=4 338 B7R0.1 C(CSSCCO)O B152479 [0,1,0,0,0,0|3,0,0]=4 339 B7R0.1 C(CSSCCO)O B298701 [0,1,0,0,0,0|3,0,0]=4 340 B7R0.1 C(CSSCCO)O B598951 [0,1,0,0,0,0|3,0,0]=4 341 B7R0.1 C=CCCCCC=C O159998 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.1 C=CCCCCCBr B134159 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.1 C=CCCCCCO H156869 [0,1,0,0,0,0|1,0,1]=3 344 B7R0.1 C=COCCCCO T161688 [0,1,0,0,0,0|0,1,1]=3 345 B7R0.1 C=COCCCCO T299067 [0,1,0,0,0,0|0,1,1]=3 346 B7R0.1 CCC=CCCCO C153484 [0,1,0,0,0,0|1,0,1]=3 347 B7R0.1 CCCC#CCCC O106927 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.1 CCCC#CCCO H157374 [0,1,0,0,0,0|1,0,1]=3 349 B7R0.1 CCCC=CCCC C153585 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.1 CCCC=CCCC T161815 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.1 CCCC=CCCO C332847 [0,1,0,0,0,0|1,0,1]=3 352 B7R0.1 CCCCC=CCC C153584 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.1 CCCCC=CCC T161817 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.1 CCCCC=CCO T161435 [0,1,0,0,0,0|1,0,1]=3 355 B7R0.1 CCCCCC=CC C153583 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.1 CCCCCC=CC O159996 [0,1,0,0,0,0|2,0,0]=3 357 B7R0.1 CCCCCC=CC T161814 [0,1,0,0,0,0|2,0,0]=3 358 B7R0.1 CCCCCCC#C O109633 [0,1,0,0,0,0|2,0,0]=3 359 B7R0.1 CCCCCCC#N H156965 [0,1,0,0,0,0|2,0,0]=3 360 B7R0.1 CCCCCCC=C O108659 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.1 CCCCCCC=C O108660 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.1 CCCCCCC=O H105934 [0,1,0,0,0,0|1,0,1]=3 363 B7R0.1 CCCCCCC=O H105935 [0,1,0,0,0,0|1,0,1]=3 364 B7R0.1 CCCCCCCBr B109258 [0,1,0,0,0,0|2,0,0]=3 365 B7R0.1 CCCCCCCC O100577 [0,1,0,0,0,0|2,0,0]=3 366 B7R0.1 CCCCCCCC O100578 [0,1,0,0,0,0|2,0,0]=3 367 B7R0.1 CCCCCCCC O100580 [0,1,0,0,0,0|2,0,0]=3 368 B7R0.1 CCCCCCCC O100581 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.1 CCCCCCCC O119714 [0,1,0,0,0,0|2,0,0]=3 370 B7R0.1 CCCCCCCCl C153657 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.1 CCCCCCCI I157581 [0,1,0,0,0,0|2,0,0]=3 372 B7R0.1 CCCCCCCN H113175 [0,1,0,0,0,0|2,0,0]=3 373 B7R0.1 CCCCCCCO H108210 [0,1,0,0,0,0|1,0,0]=2 374 B7R0.1 CCCCCCCO H108211 [0,1,0,0,0,0|1,0,0]=2 375 B7R0.1 CCCCCCCO H108212 [0,1,0,0,0,0|1,0,0]=2 376 B7R0.1 CCCCCCCS H102322 [0,1,0,0,0,0|1,1,0]=3 377 B7R0.1 CCCCCCNC N341547 [0,1,0,0,0,0|2,0,0]=3 378 B7R0.1 CCCCCCOC H157292 [0,1,0,0,0,0|1,0,0]=2 379 B7R0.1 CCCCCN=C=O P352487 [0,1,0,0,0,0|1,0,2]=4 380 B7R0.1 CCCCCOC=O A151451 [0,1,0,0,0,0|1,0,2]=4 381 B7R0.1 CCCCCON=O A151126 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.1 CCCCNCCN N159361 [0,1,0,0,0,0|2,0,0]=3 383 B7R0.1 CCCCNCCO B140397 [0,1,0,0,0,0|1,0,0]=2 384 B7R0.1 CCCCNCCO B299088 [0,1,0,0,0,0|1,0,0]=2 385 B7R0.1 CCCCNCCS B469395 [0,1,0,0,0,0|1,1,0]=3 386 B7R0.1 CCCCOCC=C A151096 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.1 CCCCOCCCl B152831 [0,1,0,0,0,0|2,0,0]=3 388 B7R0.1 CCCCOCCN B357161 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.1 CCCCOCCO E110823 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.1 CCCCOCCO E110827 [0,1,0,0,0,0|1,0,0]=2 391 B7R0.1 CCCNCCCN I168897 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.1 CCCNCCOC N158962 [0,1,0,0,0,0|1,1,0]=3 393 B7R0.1 CCCSSCCC D102910 [0,1,0,0,0,0|3,0,0]=4 394 B7R0.1 CCNCCNCC N159359 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.1 CCOCCOCC E103986 [0,1,0,0,0,0|2,1,0]=4 396 B7R0.1 CCOCCOCC E103987 [0,1,0,0,0,0|2,1,0]=4 397 B7R0.1 CCOCCOCC E103989 [0,1,0,0,0,0|2,1,0]=4 398 B7R0.1 COCC#CCOC D155770 [0,1,0,0,0,0|0,1,2]=4 399 B7R0.1 COCCCN=C=S M300049 [0,1,0,0,0,0|0,2,1]=4 400 B7R0.1 COCCOCCBr B152835 [0,1,0,0,0,0|1,1,0]=3 401 B7R0.1 COCCOCCI I586239 [0,1,0,0,0,0|1,1,0]=3 402 B7R0.1 COCCOCCN M122033 [0,1,0,0,0,0|1,1,0]=3 403 B7R0.1 COCCOCCO D104406 [0,1,0,0,0,0|0,1,0]=2 404 B7R0.1 COCCOCCO D104407 [0,1,0,0,0,0|0,1,0]=2 405 B7R0.1 COCCOCCO D104408 [0,1,0,0,0,0|0,1,0]=2 406 B7R0.1 CSCCCN=C=S M133859 [0,1,0,0,0,0|0,1,1]=3 407 B7R0.3 C(CC(=O)NN)CO B301222 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.3 C(CC(CO)O)CO P160114 [0,1,0,0,0,0|2,0,0]=3 409 B7R0.3 CC(CCCN)CN M158599 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.3 CC(CO)OCC#C P579546 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.3 CCC(=O)NCCO N158966 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.3 CCCCC(=C)CC E156236 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.3 CCCCC(=O)CC H103766 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.3 CCCCC(=O)OC M108213 [0,1,0,0,0,0|1,1,1]=4 415 B7R0.3 CCCCC(=O)OC M108214 [0,1,0,0,0,0|1,1,1]=4 416 B7R0.3 CCCCC(C#C)O H115791 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.3 CCCCC(C)CC M113650 [0,1,0,0,0,0|2,0,0]=3 418 B7R0.3 CCCCC(C=C)O H589251 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.3 CCCCC(CC)Br B152441 [0,1,0,0,0,0|2,0,0]=3 420 B7R0.3 CCCCC(CC)O H156872 [0,1,0,0,0,0|2,0,0]=3 421 B7R0.3 CCCCC(CO)N R349958 [0,1,0,0,0,0|1,0,0]=2 422 B7R0.3 CCCCC(CO)O H108067 [0,1,0,0,0,0|1,0,0]=2 423 B7R0.3 CCCNC(C)CC N158968 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.3 CCOCC(CO)O E305267 [0,1,0,0,0,0|2,0,0]=3 425 B7R0.3 COC(=O)CCCBr M158832 [0,1,0,0,0,0|1,1,1]=4 426 B7R0.3 COC(=O)CCCBr M492178 [0,1,0,0,0,0|1,1,1]=4 427 B7R0.3 COC(=O)CCCCl C108118 [0,1,0,0,0,0|1,1,1]=4 428 B7R0.3 COC(=O)CCCI M167258 [0,1,0,0,0,0|1,1,1]=4 429 B7R0.3 COC(=O)CCCN M124081 [0,1,0,0,0,0|1,1,1]=4 430 B7R0.3 COC(=O)CCSC M302466 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.3 CSCCC(CO)N D339853 [0,1,0,0,0,0|0,0,0]=1 432 B7R0.3 CSCCC(CO)N M117138 [0,1,0,0,0,0|0,0,0]=1 433 B7R0.3 CSCCC(CO)N S167794 [0,1,0,0,0,0|0,0,0]=1 434 B7R0.4 B(CCCCC)(O)O N193507 [0,1,0,0,0,0|2,0,0]=3 435 B7R0.4 C#CCCCC(=O)O H111132 [0,1,0,0,0,0|1,0,2]=4 436 B7R0.4 C(CC#N)CC(=O)O C184246 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.4 C(CCBr)CC(=O)Cl B138857 [0,1,0,0,0,0|3,0,0]=4 438 B7R0.4 C(CCBr)CC(=O)O B106966 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.4 C(CCCl)CC(=O)Cl C102473 [0,1,0,0,0,0|3,0,0]=4 440 B7R0.4 C(CCCl)CC(=O)O C153468 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.4 C(CCN)CC(=O)O A107493 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.4 C(CCN)CC(=O)O A151151 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.4 C(CCN)CC(=O)O A151349 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.4 C(CCN)CC(=O)O A491891 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.4 C(CCN)CC(=O)O A491894 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.4 C(CCO)CC(=O)[O-] H184096 [0,1,0,0,0,0|2,0,0]=3 447 B7R0.4 C=CCCCC(=O)O H157078 [0,1,0,0,0,0|1,0,2]=4 448 B7R0.4 CC(=O)CCCC#N K157732 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.4 CC(=O)CCCCCl C108058 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.4 CC(=O)OCCCCl C135233 [0,1,0,0,0,0|3,0,0]=4 451 B7R0.4 CC(=O)SCCCBr B333089 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.4 CC(C)COCCO E156429 [0,1,0,0,0,0|2,0,0]=3 453 B7R0.4 CC(C)CSCCO I157607 [0,1,0,0,0,0|2,0,0]=3 454 B7R0.4 CC(C)NCCCO I157484 [0,1,0,0,0,0|2,0,0]=3 455 B7R0.4 CC(C)NCCOC N158963 [0,1,0,0,0,0|2,1,0]=4 456 B7R0.4 CC(C)OCCCN A133357 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.4 CC(CCCCO)O H474422 [0,1,0,0,0,0|1,0,0]=2 458 B7R0.4 CC(CNCCN)O N159095 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.4 CCCCCC(=C)C M158504 [0,1,0,0,0,0|2,0,0]=3 460 B7R0.4 CCCCCC(=O)C H103803 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.4 CCCCCC(=O)C H103827 [0,1,0,0,0,0|2,0,0]=3 462 B7R0.4 CCCCCC(=O)Cl H102419 [0,1,0,0,0,0|1,0,2]=4 463 B7R0.4 CCCCCC(=O)Cl H130076 [0,1,0,0,0,0|1,0,2]=4 464 B7R0.4 CCCCCC(=O)N H157108 [0,1,0,0,0,0|1,0,2]=4 465 B7R0.4 CCCCCC(=O)O H103630 [0,1,0,0,0,0|1,0,1]=3 466 B7R0.4 CCCCCC(=O)O H103631 [0,1,0,0,0,0|1,0,1]=3 467 B7R0.4 CCCCCC(=O)O H103632 [0,1,0,0,0,0|1,0,1]=3 468 B7R0.4 CCCCCC(=O)O H278778 [0,1,0,0,0,0|1,0,1]=3 469 B7R0.4 CCCCCC(=O)O H432079 [0,1,0,0,0,0|1,0,1]=3 470 B7R0.4 CCCCCC(=O)[O-] S161313 [0,1,0,0,0,0|1,0,2]=4 471 B7R0.4 CCCCCC(C)C M113649 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.4 CCCCCC(C)C M406726 [0,1,0,0,0,0|2,0,0]=3 473 B7R0.4 CCCCCC(C)N A166657 [0,1,0,0,0,0|2,0,0]=3 474 B7R0.4 CCCCCC(C)N A421028 [0,1,0,0,0,0|2,0,0]=3 475 B7R0.4 CCCCCC(C)N S474322 [0,1,0,0,0,0|2,0,0]=3 476 B7R0.4 CCCCCC(C)O H100747 [0,1,0,0,0,0|1,0,0]=2 477 B7R0.4 CCCCCC(C)O I137289 [0,1,0,0,0,0|1,0,0]=2 478 B7R0.4 CCCCOC(=O)C B116224 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.4 CCCCOC(=O)C B116225 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.4 CCCCOC(=O)C B116227 [0,1,0,0,0,0|3,0,0]=4 481 B7R0.4 CCCCOC(=O)C B116228 [0,1,0,0,0,0|3,0,0]=4 482 B7R0.4 CCCCOC(=O)C B119685 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.4 CCCOCC(C)O P160113 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.4 CCNCCN(C)C I166658 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.4 CCOCCC(=O)C E156453 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.4 CCOCCC(=O)O E156172 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.4 CN(C)CCCC#N D154664 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.4 CN(C)CCCCN B301211 [0,1,0,0,0,0|2,0,0]=3 489 B7R0.4 CNCCCC(=O)O M276212 [0,1,0,0,0,0|1,0,1]=3 490 B7R0.4 CNCCCC(=O)O M397624 [0,1,0,0,0,0|1,0,1]=3 491 B7R0.4 CNCCCN(C)C I170434 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.4 COCCCC(=O)O M192558 [0,1,0,0,0,0|0,1,1]=3 493 B7R0.4 [CH]CCCCC(=O)[N] P111447 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.4 [CH]CCCCC(=O)[N] P128923 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.7 CC(CCO)CCO M157872 [0,1,0,0,0,0|2,0,0]=3 496 B7R0.7 CCCC(=O)CCC H103840 [0,1,0,0,0,0|2,0,1]=4 497 B7R0.7 CCCC(=O)CCC H103841 [0,1,0,0,0,0|2,0,1]=4 498 B7R0.7 CCCC(C)CCC M113651 [0,1,0,0,0,0|2,0,0]=3 499 B7R0.7 CCCC(CCC)N H156930 [0,1,0,0,0,0|2,0,0]=3 500 B7R0.7 CCCC(CCC)O H156873 [0,1,0,0,0,0|2,0,0]=3 501 B7R0.7 CCCC(CCO)S M102905 [0,1,0,0,0,0|1,0,0]=2 502 B7R0.7 CCCN(C)CCC I169711 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.7 CCOC(=O)CCO E185621 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.7 CCOC(=O)CSC E156475 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.7 CN(CCO)CCO M105602 [0,1,0,0,0,0|3,0,0]=4 506 B7R0.7 CN(CCO)CCO M105603 [0,1,0,0,0,0|3,0,0]=4 507 B7R0.7 COCC(COC)N D195061 [0,1,0,0,0,0|2,1,0]=4 508 B7R0.7 COCC(COC)O D194254 [0,1,0,0,0,0|2,1,0]=4 509 B7R1.1 C1C=CCC1CO C175895 [0,0,0,1,0,0|1,0,1]=3 510 B7R1.1 C1CC(NC1)CN A121648 [0,0,0,1,0,0|3,0,0]=4 511 B7R1.1 C1CC(NC1)CO P106015 [0,0,0,1,0,0|2,0,0]=3 512 B7R1.1 C1CC(NC1)CO P117145 [0,0,0,1,0,0|2,0,0]=3 513 B7R1.1 C1CC(NC1)CO P133858 [0,0,0,1,0,0|2,0,0]=3 514 B7R1.1 C1CC(OC1)C=O T479472 [0,0,0,1,0,0|2,0,0]=3 515 B7R1.1 C1CC(OC1)CBr T161718 [0,0,0,1,0,0|2,0,0]=3 516 B7R1.1 C1CC(OC1)CCl T109587 [0,0,0,1,0,0|2,0,0]=3 517 B7R1.1 C1CC(OC1)CN T111157 [0,0,0,1,0,0|2,0,0]=3 518 B7R1.1 C1CC(OC1)CN T113724 [0,0,0,1,0,0|2,0,0]=3 519 B7R1.1 C1CC(OC1)CN T119768 [0,0,0,1,0,0|2,0,0]=3 520 B7R1.1 C1CC(OC1)CO T105718 [0,0,0,1,0,0|2,0,0]=3 521 B7R1.1 C1CC(OC1)CO T105720 [0,0,0,1,0,0|2,0,0]=3 522 B7R1.1 C1CCC(=NO)C1 C138083 [0,0,0,1,0,0|2,0,1]=4 523 B7R1.1 C1CCC(C1)C#N C124215 [0,0,0,1,0,0|2,0,1]=4 524 B7R1.1 C1CCC(C1)C=O C122650 [0,0,0,1,0,0|1,0,2]=4 525 B7R1.1 C1CCC(C1)CBr B184164 [0,0,0,1,0,0|2,0,0]=3 526 B7R1.1 C1CCC(C1)CI I169233 [0,0,0,1,0,0|2,0,0]=3 527 B7R1.1 C1CCC(C1)CN C176870 [0,0,0,1,0,0|2,0,0]=3 528 B7R1.1 C1CCC(C1)CO C121238 [0,0,0,1,0,0|1,0,0]=2 529 B7R1.1 C1CCC(C1)NN C168940 [0,0,0,1,0,0|3,0,0]=4 530 B7R1.1 C1CNCC1C#N P172391 [0,0,0,1,0,0|2,0,1]=4 531 B7R1.1 C1CNCC1C#N R172183 [0,0,0,1,0,0|2,0,1]=4 532 B7R1.1 C1CNCC1C#N S172182 [0,0,0,1,0,0|2,0,1]=4 533 B7R1.1 C1COC(O1)CBr B153145 [0,0,0,1,0,0|3,0,0]=4 534 B7R1.1 C1COC(O1)CCl C153298 [0,0,0,1,0,0|3,0,0]=4 535 B7R1.1 C1COC(O1)CN A151048 [0,0,0,1,0,0|3,0,0]=4 536 B7R1.1 C1COC(O1)CO D193991 [0,0,0,1,0,0|3,0,0]=4 537 B7R1.1 C1COCC1C=O T304657 [0,0,0,1,0,0|0,1,2]=4 538 B7R1.1 C1COCC1CBr B174868 [0,0,0,1,0,0|1,1,0]=3 539 B7R1.1 C1COCC1CN A167762 [0,0,0,1,0,0|1,1,0]=3 540 B7R1.1 C1COCC1CN A168112 [0,0,0,1,0,0|1,1,0]=3 541 B7R1.1 C1COCC1CO T136105 [0,0,0,1,0,0|0,1,0]=2 542 B7R1.1 C=CC1OCCO1 V472440 [0,0,0,1,0,0|2,0,1]=4 543 B7R1.1 CCC1=NCCO1 E137961 [0,0,0,1,0,0|2,0,1]=4 544 B7R1.1 CCC1=NCCO1 P303248 [0,0,0,1,0,0|2,0,1]=4 545 B7R1.1 CCC1=NCCO1 P432473 [0,0,0,1,0,0|2,0,1]=4 546 B7R1.1 CCC1=NCCO1 P432474 [0,0,0,1,0,0|2,0,1]=4 547 B7R1.1 CCC1CCCC1 E156243 [0,0,0,1,0,0|2,0,0]=3 548 B7R1.1 CCN1CCCC1 E156259 [0,0,0,1,0,0|3,0,0]=4 549 B7R1.1 CNC1CCNC1 M124586 [0,0,0,1,0,0|3,0,0]=4 550 B7R1.1 COC1CCCC1 C102202 [0,0,0,1,0,0|1,1,0]=3 551 B7R1.1 COC1CCCC1 C119688 [0,0,0,1,0,0|1,1,0]=3 552 B7R1.1 COC1CCCC1 C298967 [0,0,0,1,0,0|1,1,0]=3 553 B7R1.1 COC1CCNC1 R176558 [0,0,0,1,0,0|2,1,0]=4 554 B7R1.1 COC1CCNC1 S177181 [0,0,0,1,0,0|2,1,0]=4 555 B7R1.1 COC1CCNC1 S586566 [0,0,0,1,0,0|2,1,0]=4 556 B7R1.1 COC1OCCO1 M157786 [0,0,0,1,0,0|1,1,0]=3 557 B7R1.1 CSC1=NCCN1 M135977 [0,0,0,1,0,0|2,0,1]=4 558 B7R1.1 CSC1=NCCS1 M123595 [0,0,0,1,0,0|1,1,1]=4 559 B7R1.1 [C-]#[N+]C1CCCC1 C153259 [0,0,0,1,0,0|2,0,1]=4 560 B7R1.3 C1C(COCO1)O G141045 [0,0,0,1,0,0|1,1,0]=3 561 B7R1.3 C1CC(=O)CNC1 P301951 [0,0,0,1,0,0|1,0,2]=4 562 B7R1.3 C1CC(=O)COC1 O175840 [0,0,0,1,0,0|0,1,2]=4 563 B7R1.3 C1CC(CNC1)F F166180 [0,0,0,1,0,0|2,0,0]=3 564 B7R1.3 C1CC(CNC1)N A119349 [0,0,0,1,0,0|2,0,0]=3 565 B7R1.3 C1CC(CNC1)N A121532 [0,0,0,1,0,0|2,0,0]=3 566 B7R1.3 C1CC(CNC1)N A121533 [0,0,0,1,0,0|2,0,0]=3 567 B7R1.3 C1CC(CNC1)N A151173 [0,0,0,1,0,0|2,0,0]=3 568 B7R1.3 C1CC(CNC1)N R586890 [0,0,0,1,0,0|2,0,0]=3 569 B7R1.3 C1CC(CNC1)O H119140 [0,0,0,1,0,0|1,0,0]=2 570 B7R1.3 C1CC(CNC1)O H119141 [0,0,0,1,0,0|1,0,0]=2 571 B7R1.3 C1CC(CNC1)O H123507 [0,0,0,1,0,0|1,0,0]=2 572 B7R1.3 C1CC(CNC1)O H123509 [0,0,0,1,0,0|1,0,0]=2 573 B7R1.3 C1CC(CNC1)O S588362 [0,0,0,1,0,0|1,0,0]=2 574 B7R1.3 C1CC(COC1)N S172896 [0,0,0,1,0,0|1,1,0]=3 575 B7R1.3 C1CC(COC1)O O175461 [0,0,0,1,0,0|0,1,0]=2 576 B7R1.3 C1CC=CC(C1)Br B152008 [0,0,0,1,0,0|2,0,1]=4 577 B7R1.3 C1CC=CC(C1)O C137053 [0,0,0,1,0,0|1,0,1]=3 578 B7R1.3 C1CCC(=O)CC1 C116449 [0,0,0,1,0,0|1,0,2]=4 579 B7R1.3 C1CCC(=O)CC1 C116451 [0,0,0,1,0,0|1,0,2]=4 580 B7R1.3 C1CCC(=O)CC1 C116453 [0,0,0,1,0,0|1,0,2]=4 581 B7R1.3 C1CCC(=O)CC1 C116454 [0,0,0,1,0,0|1,0,2]=4 582 B7R1.3 C1CCC(=O)CC1 C295202 [0,0,0,1,0,0|1,0,2]=4 583 B7R1.3 C1CCC(=O)CC1 C471914 [0,0,0,1,0,0|1,0,2]=4 584 B7R1.3 C1CCC(=O)CC1 C615386 [0,0,0,1,0,0|1,0,2]=4 585 B7R1.3 C1CCC(CC1)Br B109675 [0,0,0,1,0,0|2,0,0]=3 586 B7R1.3 C1CCC(CC1)Cl C106088 [0,0,0,1,0,0|2,0,0]=3 587 B7R1.3 C1CCC(CC1)F F156720 [0,0,0,1,0,0|2,0,0]=3 588 B7R1.3 C1CCC(CC1)I I157579 [0,0,0,1,0,0|2,0,0]=3 589 B7R1.3 C1CCC(CC1)N C103892 [0,0,0,1,0,0|2,0,0]=3 590 B7R1.3 C1CCC(CC1)N C105033 [0,0,0,1,0,0|2,0,0]=3 591 B7R1.3 C1CCC(CC1)N C105034 [0,0,0,1,0,0|2,0,0]=3 592 B7R1.3 C1CCC(CC1)N C105035 [0,0,0,1,0,0|2,0,0]=3 593 B7R1.3 C1CCC(CC1)N C105036 [0,0,0,1,0,0|2,0,0]=3 594 B7R1.3 C1CCC(CC1)N C136515 [0,0,0,1,0,0|2,0,0]=3 595 B7R1.3 C1CCC(CC1)N C405536 [0,0,0,1,0,0|2,0,0]=3 596 B7R1.3 C1CCC(CC1)N C492170 [0,0,0,1,0,0|2,0,0]=3 597 B7R1.3 C1CCC(CC1)N C492176 [0,0,0,1,0,0|2,0,0]=3 598 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,1,0,0|1,0,0]=2 599 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,1,0,0|1,0,0]=2 600 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,1,0,0|1,0,0]=2 601 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,1,0,0|1,0,0]=2 602 B7R1.3 C1CCC(CC1)S C107602 [0,0,0,1,0,0|1,1,0]=3 603 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,0,0,1,0,0|2,0,0]=3 604 B7R1.3 C1CCN(CC1)N A103012 [0,0,0,1,0,0|3,0,0]=4 605 B7R1.3 C1CCN(CC1)N A113934 [0,0,0,1,0,0|3,0,0]=4 606 B7R1.3 C1CCNC(=O)C1 P160613 [0,0,0,1,0,0|3,0,0]=4 607 B7R1.3 C1CCOC(=O)C1 V100560 [0,0,0,1,0,0|2,0,0]=3 608 B7R1.3 C1CNC(=O)OC1 O170792 [0,0,0,1,0,0|3,0,0]=4 609 B7R1.3 C1CNCCC1Br B123508 [0,0,0,1,0,0|3,0,0]=4 610 B7R1.3 C1CNCCC1Cl C153867 [0,0,0,1,0,0|3,0,0]=4 611 B7R1.3 C1CNCCC1Cl C185077 [0,0,0,1,0,0|3,0,0]=4 612 B7R1.3 C1CNCCC1F F171054 [0,0,0,1,0,0|3,0,0]=4 613 B7R1.3 C1CNCCC1F F590177 [0,0,0,1,0,0|3,0,0]=4 614 B7R1.3 C1CNCCC1N A103195 [0,0,0,1,0,0|3,0,0]=4 615 B7R1.3 C1CNCCC1O H106359 [0,0,0,1,0,0|2,0,0]=3 616 B7R1.3 C1CNCCC1O H138960 [0,0,0,1,0,0|2,0,0]=3 617 B7R1.3 C1COC(=O)CO1 D122246 [0,0,0,1,0,0|3,0,0]=4 618 B7R1.3 C1COC(=O)OC1 D155394 [0,0,0,1,0,0|3,0,0]=4 619 B7R1.3 C1COCCC1Br B169075 [0,0,0,1,0,0|3,0,0]=4 620 B7R1.3 C1COCCC1Cl C120070 [0,0,0,1,0,0|3,0,0]=4 621 B7R1.3 C1COCCC1I I175912 [0,0,0,1,0,0|3,0,0]=4 622 B7R1.3 C1COCCC1N A102316 [0,0,0,1,0,0|3,0,0]=4 623 B7R1.3 C1COCCC1N O176150 [0,0,0,1,0,0|3,0,0]=4 624 B7R1.3 C1COCCC1O T119338 [0,0,0,1,0,0|2,0,0]=3 625 B7R1.3 C1COS(=O)OC1 D137600 [0,0,0,1,0,0|2,0,1]=4 626 B7R1.3 C1CSCCC1N T588299 [0,0,0,1,0,0|3,0,0]=4 627 B7R1.3 C1CSCCC1O T161724 [0,0,0,1,0,0|2,0,0]=3 628 B7R1.3 C=C1CCCCC1 M158229 [0,0,0,1,0,0|2,0,1]=4 629 B7R1.3 CC1=CCCCC1 M158209 [0,0,0,1,0,0|2,0,0]=3 630 B7R1.3 CC1=CCNCC1 M178460 [0,0,0,1,0,0|3,0,0]=4 631 B7R1.3 CC1CCCC=C1 M158227 [0,0,0,1,0,0|2,0,1]=4 632 B7R1.3 CC1CCCCC1 M103329 [0,0,0,1,0,0|2,0,0]=3 633 B7R1.3 CC1CCCCC1 M103330 [0,0,0,1,0,0|2,0,0]=3 634 B7R1.3 CC1CCCCC1 M103331 [0,0,0,1,0,0|2,0,0]=3 635 B7R1.3 CC1CCCCC1 M118385 [0,0,0,1,0,0|2,0,0]=3 636 B7R1.3 CC1CCCCC1 M119670 [0,0,0,1,0,0|2,0,0]=3 637 B7R1.3 CC1CCCCN1 I169537 [0,0,0,1,0,0|2,0,0]=3 638 B7R1.3 CC1CCCCN1 M106737 [0,0,0,1,0,0|2,0,0]=3 639 B7R1.3 CC1CCCNC1 M158771 [0,0,0,1,0,0|2,0,0]=3 640 B7R1.3 CC1CCCNC1 R588230 [0,0,0,1,0,0|2,0,0]=3 641 B7R1.3 CC1CCCNC1 S191141 [0,0,0,1,0,0|2,0,0]=3 642 B7R1.3 CC1CCNCC1 M158650 [0,0,0,1,0,0|3,0,0]=4 643 B7R1.3 CC1CCOCO1 M158047 [0,0,0,1,0,0|2,0,0]=3 644 B7R1.3 CC1CNCCN1 M103218 [0,0,0,1,0,0|3,0,0]=4 645 B7R1.3 CC1CNCCN1 M120020 [0,0,0,1,0,0|3,0,0]=4 646 B7R1.3 CC1CNCCN1 R160832 [0,0,0,1,0,0|3,0,0]=4 647 B7R1.3 CC1CNCCO1 M588524 [0,0,0,1,0,0|2,0,0]=3 648 B7R1.3 CC1CNCCO1 R174894 [0,0,0,1,0,0|2,0,0]=3 649 B7R1.3 CC1CNCCO1 S172145 [0,0,0,1,0,0|2,0,0]=3 650 B7R1.3 CC1COCCN1 M193354 [0,0,0,1,0,0|2,1,0]=4 651 B7R1.3 CC1COCCN1 R160948 [0,0,0,1,0,0|2,1,0]=4 652 B7R1.3 CC1COCCN1 R177343 [0,0,0,1,0,0|2,1,0]=4 653 B7R1.3 CC1COCCN1 S176218 [0,0,0,1,0,0|2,1,0]=4 654 B7R1.3 CC1COCCN1 S189368 [0,0,0,1,0,0|2,1,0]=4 655 B7R1.3 CC1SCCCS1 M171134 [0,0,0,1,0,0|2,1,0]=4 656 B7R1.3 CN1CCCCC1 M106736 [0,0,0,1,0,0|2,0,0]=3 657 B7R1.3 CN1CCNCC1 M108683 [0,0,0,1,0,0|3,0,0]=4 658 B7R1.3 CN1CCNCC1 M108684 [0,0,0,1,0,0|3,0,0]=4 659 B7R1.3 CN1CCNCC1 M136564 [0,0,0,1,0,0|3,0,0]=4 660 B7R1.3 CN1CCOCC1 M104641 [0,0,0,1,0,0|3,0,0]=4 661 B7R1.3 CN1CCOCC1 M104642 [0,0,0,1,0,0|3,0,0]=4 662 B7R1.3 CN1CCOCC1 M104643 [0,0,0,1,0,0|3,0,0]=4 663 B7R1.3 CN1CCOCC1 M104644 [0,0,0,1,0,0|3,0,0]=4 664 B7R1.3 CN1CCOCC1 M588891 [0,0,0,1,0,0|3,0,0]=4 665 B7R1.3 C[Si]1CCCCO1 P107083 [0,0,0,1,0,0|1,0,0]=2 666 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,0,0,1,0,0|2,0,0]=3 667 B7R1.4 C1C(C(CN1)O)O C175295 [0,0,0,1,0,0|3,0,0]=4 668 B7R1.4 C1C(C(CN1)O)O P108071 [0,0,0,1,0,0|3,0,0]=4 669 B7R1.4 C1C(C(CN1)O)O P108072 [0,0,0,1,0,0|3,0,0]=4 670 B7R1.4 C1C(C(CN1)O)O P108073 [0,0,0,1,0,0|3,0,0]=4 671 B7R1.4 C1C(C(CN1)O)O S178122 [0,0,0,1,0,0|3,0,0]=4 672 B7R1.4 C1C(C(CO1)O)N A587267 [0,0,0,1,0,0|3,0,0]=4 673 B7R1.4 C1C(C(CO1)O)O A151297 [0,0,0,1,0,0|3,0,0]=4 674 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,0,0,1,0,0|3,0,0]=4 675 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,0,0,1,0,0|3,0,0]=4 676 B7R1.4 C1CC(C(C1)Br)Br T332825 [0,0,0,1,0,0|3,0,0]=4 677 B7R1.4 C1CC(C(C1)N)N C588671 [0,0,0,1,0,0|3,0,0]=4 678 B7R1.4 C1CC(C(C1)O)N A101741 [0,0,0,1,0,0|2,0,0]=3 679 B7R1.4 C1CC(C(C1)O)N A101751 [0,0,0,1,0,0|2,0,0]=3 680 B7R1.4 C1CC(C(C1)O)N A187867 [0,0,0,1,0,0|2,0,0]=3 681 B7R1.4 C1CC(C(C1)O)N C348612 [0,0,0,1,0,0|2,0,0]=3 682 B7R1.4 C1CC(C(C1)O)N I168764 [0,0,0,1,0,0|2,0,0]=3 683 B7R1.4 C1CC(C(C1)O)N R465237 [0,0,0,1,0,0|2,0,0]=3 684 B7R1.4 C1CC(C(C1)O)O I170645 [0,0,0,1,0,0|2,0,0]=3 685 B7R1.4 C1CC(C(C1)O)O T471195 [0,0,0,1,0,0|2,0,0]=3 686 B7R1.4 C1CNC(=O)C1O H486731 [0,0,0,1,0,0|3,0,0]=4 687 B7R1.4 C1COC(=O)C1O H113417 [0,0,0,1,0,0|3,0,0]=4 688 B7R1.4 C1COC(=O)C1O R591020 [0,0,0,1,0,0|3,0,0]=4 689 B7R1.4 C1COC(=O)C1O S161076 [0,0,0,1,0,0|3,0,0]=4 690 B7R1.4 CC1C(CCO1)S M102916 [0,0,0,1,0,0|2,1,0]=4 691 B7R1.4 CC1CCCC1=O M138029 [0,0,0,1,0,0|1,0,2]=4 692 B7R1.4 CC1CCCC1O B300625 [0,0,0,1,0,0|1,0,0]=2 693 B7R1.4 CN1CCCC1=O M100588 [0,0,0,1,0,0|1,0,2]=4 694 B7R1.4 CN1CCCC1=O M100589 [0,0,0,1,0,0|1,0,2]=4 695 B7R1.4 CN1CCCC1=O M100590 [0,0,0,1,0,0|1,0,2]=4 696 B7R1.4 CN1CCCC1=O M103246 [0,0,0,1,0,0|1,0,2]=4 697 B7R1.4 CN1CCCC1=O M103247 [0,0,0,1,0,0|1,0,2]=4 698 B7R1.4 CN1CCCC1=O M103248 [0,0,0,1,0,0|1,0,2]=4 699 B7R1.4 CN1CCCC1=O M103250 [0,0,0,1,0,0|1,0,2]=4 700 B7R1.4 CN1CCCC1=O M119668 [0,0,0,1,0,0|1,0,2]=4 701 B7R1.4 CN1CCCC1=O M434296 [0,0,0,1,0,0|1,0,2]=4 702 B7R1.4 CN1CCCC1=S M140448 [0,0,0,1,0,0|1,1,1]=4 703 B7R1.6 C1C(CN1)CCO A174496 [0,0,0,1,0,0|1,0,0]=2 704 B7R1.6 C1C(CO1)CCO O175897 [0,0,0,1,0,0|0,1,0]=2 705 B7R1.6 C1CN(C1)CCO A194559 [0,0,0,1,0,0|2,0,0]=3 706 B7R1.7 C=CCCC1CO1 E156386 [0,0,0,1,0,0|1,0,1]=3 707 B7R1.7 CCCCC1CO1 E156398 [0,0,0,1,0,0|1,0,0]=2 708 B7R1.7 CCOCC1CO1 E156388 [0,0,0,1,0,0|2,0,0]=3 709 B7R1.24 C1CCC=CCC1 C153473 [0,0,0,1,0,0|2,0,1]=4 710 B7R1.24 C1CCCCCC1 C110929 [0,0,0,1,0,0|2,0,0]=3 711 B7R1.24 C1CCCNCC1 H157403 [0,0,0,1,0,0|2,0,0]=3 712 B7R1.24 C1CCCOCC1 H157291 [0,0,0,1,0,0|1,0,0]=2 713 B7R1.24 C1CNCCNC1 H106298 [0,0,0,1,0,0|3,0,0]=4 714 B7R1.24 C1CNCCOC1 O587706 [0,0,0,1,0,0|2,0,0]=3 715 B4R0.2 C#CCCO B106249 [2,0,0,0,0,0|0,0,2]=4 716 B4R0.2 C(CBr)CBr D104777 [2,0,0,0,0,0|2,0,0]=4 717 B4R0.2 C(CBr)CBr D104778 [2,0,0,0,0,0|2,0,0]=4 718 B4R0.2 C(CCl)CBr B105780 [2,0,0,0,0,0|2,0,0]=4 719 B4R0.2 C(CCl)CCl D109184 [2,0,0,0,0,0|2,0,0]=4 720 B4R0.2 C(CCl)CCl D109185 [2,0,0,0,0,0|2,0,0]=4 721 B4R0.2 C(CCl)CCl D113099 [2,0,0,0,0,0|2,0,0]=4 722 B4R0.2 C(CCl)CCl D128142 [2,0,0,0,0,0|2,0,0]=4 723 B4R0.2 C(CCl)CCl D140761 [2,0,0,0,0,0|2,0,0]=4 724 B4R0.2 C(CCl)CI C153543 [2,0,0,0,0,0|2,0,0]=4 725 B4R0.2 C(CF)CBr B303518 [2,0,0,0,0,0|2,0,0]=4 726 B4R0.2 C(CF)CI I184641 [2,0,0,0,0,0|2,0,0]=4 727 B4R0.2 C(CI)CI D139104 [2,0,0,0,0,0|2,0,0]=4 728 B4R0.2 C(CN)CBr B106915 [2,0,0,0,0,0|2,0,0]=4 729 B4R0.2 C(CN)CCl C102474 [2,0,0,0,0,0|2,0,0]=4 730 B4R0.2 C(CN)CN B151838 [2,0,0,0,0,0|2,0,0]=4 731 B4R0.2 C(CN)CN D154662 [2,0,0,0,0,0|2,0,0]=4 732 B4R0.2 C(CN)CN D155613 [2,0,0,0,0,0|2,0,0]=4 733 B4R0.2 C(CN)CN D155681 [2,0,0,0,0,0|2,0,0]=4 734 B4R0.2 C(CN)CN P103898 [2,0,0,0,0,0|2,0,0]=4 735 B4R0.2 C(CN)CN P492915 [2,0,0,0,0,0|2,0,0]=4 736 B4R0.2 C(CN)CN P494086 [2,0,0,0,0,0|2,0,0]=4 737 B4R0.2 C(CN)CO A106068 [2,0,0,0,0,0|1,0,0]=3 738 B4R0.2 C(CN)CO A106069 [2,0,0,0,0,0|1,0,0]=3 739 B4R0.2 C(CN)CO A151629 [2,0,0,0,0,0|1,0,0]=3 740 B4R0.2 C(CN)CO A299064 [2,0,0,0,0,0|1,0,0]=3 741 B4R0.2 C(CN)CS A476835 [2,0,0,0,0,0|1,0,0]=3 742 B4R0.2 C(CO)C#N H109415 [2,0,0,0,0,0|1,0,1]=4 743 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|0,1,1]=4 744 B4R0.2 C(CO)CBr B108055 [2,0,0,0,0,0|1,0,0]=3 745 B4R0.2 C(CO)CBr B140136 [2,0,0,0,0,0|1,0,0]=3 746 B4R0.2 C(CO)CCl C109471 [2,0,0,0,0,0|1,0,0]=3 747 B4R0.2 C(CO)CF F404475 [2,0,0,0,0,0|1,0,0]=3 748 B4R0.2 C(CO)CI I139105 [2,0,0,0,0,0|1,0,0]=3 749 B4R0.2 C(CO)CO P108206 [2,0,0,0,0,0|0,1,0]=3 750 B4R0.2 C(CO)CO P108207 [2,0,0,0,0,0|0,1,0]=3 751 B4R0.2 C(CO)CO P108208 [2,0,0,0,0,0|0,1,0]=3 752 B4R0.2 C(CO)CO P432773 [2,0,0,0,0,0|0,1,0]=3 753 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|0,0,0]=2 754 B4R0.2 C(CO)NN H113414 [2,0,0,0,0,0|2,0,0]=4 755 B4R0.2 C(CS)C#N M302020 [2,0,0,0,0,0|1,0,1]=4 756 B4R0.2 C(CS)CS P100845 [2,0,0,0,0,0|0,1,0]=3 757 B4R0.2 C=CCCO B120318 [2,0,0,0,0,0|0,0,2]=4 758 B4R0.2 CC#CCO B111064 [2,0,0,0,0,0|0,0,2]=4 759 B4R0.2 CC=CCO C106252 [2,0,0,0,0,0|0,0,2]=4 760 B4R0.2 CCC#CC P160658 [2,0,0,0,0,0|0,0,2]=4 761 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|0,0,2]=4 762 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|0,0,2]=4 763 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|0,0,2]=4 764 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,0]=3 765 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,0]=3 766 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,0]=3 767 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,0]=3 768 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,0]=3 769 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,0]=3 770 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,0]=3 771 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,0]=3 772 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,0]=3 773 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,0]=3 774 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|1,0,0]=3 775 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|1,0,0]=3 776 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|1,0,0]=3 777 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|1,0,0]=3 778 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|1,0,0]=3 779 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|1,0,0]=3 780 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|1,0,0]=3 781 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|1,0,0]=3 782 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|1,0,0]=3 783 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|1,0,0]=3 784 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|1,0,0]=3 785 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|1,0,0]=3 786 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|0,0,0]=2 787 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|0,0,0]=2 788 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|0,0,0]=2 789 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|0,0,0]=2 790 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|0,0,0]=2 791 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|0,0,0]=2 792 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|0,0,0]=2 793 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|0,0,0]=2 794 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|0,0,0]=2 795 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|0,0,0]=2 796 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|0,0,0]=2 797 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|0,0,0]=2 798 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|0,0,0]=2 799 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|0,0,0]=2 800 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|0,0,0]=2 801 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|0,0,0]=2 802 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|0,0,1]=3 803 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|0,0,1]=3 804 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|0,0,1]=3 805 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|0,0,1]=3 806 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|0,0,1]=3 807 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|0,0,1]=3 808 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|0,0,1]=3 809 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|0,0,1]=3 810 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|1,0,0]=3 811 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|0,0,0]=2 812 B4R0.2 CCNCC D110465 [2,0,0,0,0,0|1,0,0]=3 813 B4R0.2 CCNCC D110466 [2,0,0,0,0,0|1,0,0]=3 814 B4R0.2 CCNCC D110469 [2,0,0,0,0,0|1,0,0]=3 815 B4R0.2 CCNCC D110470 [2,0,0,0,0,0|1,0,0]=3 816 B4R0.2 CCNCC D154676 [2,0,0,0,0,0|1,0,0]=3 817 B4R0.2 CCNCC D155612 [2,0,0,0,0,0|1,0,0]=3 818 B4R0.2 CCNCC E102892 [2,0,0,0,0,0|1,0,0]=3 819 B4R0.2 CCNCC E102893 [2,0,0,0,0,0|1,0,0]=3 820 B4R0.2 CCOCC B104430 [2,0,0,0,0,0|1,0,0]=3 821 B4R0.2 CCOCC B104431 [2,0,0,0,0,0|1,0,0]=3 822 B4R0.2 CCOCC B299094 [2,0,0,0,0,0|1,0,0]=3 823 B4R0.2 CCOCC B431395 [2,0,0,0,0,0|1,0,0]=3 824 B4R0.2 CCOCC M345280 [2,0,0,0,0,0|1,0,0]=3 825 B4R0.2 CCOCC T189182 [2,0,0,0,0,0|1,0,0]=3 826 B4R0.2 CCOCC T498340 [2,0,0,0,0,0|1,0,0]=3 827 B4R0.2 CCOCCl C137178 [2,0,0,0,0,0|2,0,0]=4 828 B4R0.2 CCSCC C130098 [2,0,0,0,0,0|1,0,0]=3 829 B4R0.2 CCSCC D105796 [2,0,0,0,0,0|1,0,0]=3 830 B4R0.2 CC[N-]CC L283253 [2,0,0,0,0,0|1,0,0]=3 831 B4R0.2 CC[Si]CC D331180 [2,0,0,0,0,0|0,1,0]=3 832 B4R0.2 CNCCBr B589001 [2,0,0,0,0,0|2,0,0]=4 833 B4R0.2 CNCCCl M303747 [2,0,0,0,0,0|2,0,0]=4 834 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|2,0,0]=4 835 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|1,0,0]=3 836 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|1,0,0]=3 837 B4R0.2 COCCBr B139139 [2,0,0,0,0,0|1,1,0]=4 838 B4R0.2 COCCCl C108060 [2,0,0,0,0,0|1,1,0]=4 839 B4R0.2 COCCN M138018 [2,0,0,0,0,0|1,1,0]=4 840 B4R0.2 COCCN M404735 [2,0,0,0,0,0|1,1,0]=4 841 B4R0.2 COCCN M493557 [2,0,0,0,0,0|1,1,0]=4 842 B4R0.2 COCCO M102852 [2,0,0,0,0,0|0,1,0]=3 843 B4R0.2 COCCO M102853 [2,0,0,0,0,0|0,1,0]=3 844 B4R0.2 COCCO M102854 [2,0,0,0,0,0|0,1,0]=3 845 B4R0.2 COCCO M102855 [2,0,0,0,0,0|0,1,0]=3 846 B4R0.2 COCCO M102856 [2,0,0,0,0,0|0,1,0]=3 847 B4R0.2 COCCO M102857 [2,0,0,0,0,0|0,1,0]=3 848 B4R0.2 COCCO M102858 [2,0,0,0,0,0|0,1,0]=3 849 B4R0.2 COCCO M119725 [2,0,0,0,0,0|0,1,0]=3 850 B4R0.2 COCOC D101433 [2,0,0,0,0,0|1,1,0]=4 851 B4R0.2 COCOC D101436 [2,0,0,0,0,0|1,1,0]=4 852 B4R0.2 COCOC F431409 [2,0,0,0,0,0|1,1,0]=4 853 B4R0.2 CSCC#N M158307 [2,0,0,0,0,0|1,0,1]=4 854 B4R0.2 CSCC=C A101060 [2,0,0,0,0,0|0,0,2]=4 855 B4R0.2 CSCCCl C153648 [2,0,0,0,0,0|1,0,0]=3 856 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|1,0,0]=3 857 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|1,0,0]=3 858 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|0,0,0]=2 859 B4R0.2 CSCSC B140648 [2,0,0,0,0,0|1,0,0]=3 860 B4R0.2 CSSSC D103087 [2,0,0,0,0,0|2,0,0]=4 861 B6R0.1 C(CO)C(CO)O B105549 [1,1,0,0,0,0|0,1,0]=3 862 B6R0.1 C(CO)C(CO)O B118474 [1,1,0,0,0,0|0,1,0]=3 863 B6R0.1 C(CO)C(CO)O R472595 [1,1,0,0,0,0|0,1,0]=3 864 B6R0.1 C(CO)C(CO)O S102777 [1,1,0,0,0,0|0,1,0]=3 865 B6R0.1 CC(CC=O)SC M102934 [1,1,0,0,0,0|0,0,2]=4 866 B6R0.1 CC(CCO)OC M102190 [1,1,0,0,0,0|0,1,0]=3 867 B6R0.1 CC(COC)OC D155537 [1,1,0,0,0,0|1,1,0]=4 868 B6R0.1 CCC(C)OCC S161060 [1,1,0,0,0,0|2,0,0]=4 869 B6R0.1 CCC(CC#C)O H157361 [1,1,0,0,0,0|1,0,1]=4 870 B6R0.1 CCC(CCN)N D155073 [1,1,0,0,0,0|1,0,0]=3 871 B6R0.1 CCC(COC)N A151357 [1,1,0,0,0,0|0,1,0]=3 872 B6R0.1 CCC(COC)O M158749 [1,1,0,0,0,0|0,1,0]=3 873 B6R0.1 CCCC(=O)CC H106710 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.1 CCCC(=O)OC M100038 [1,1,0,0,0,0|0,1,1]=4 875 B6R0.1 CCCC(=O)OC M100039 [1,1,0,0,0,0|0,1,1]=4 876 B6R0.1 CCCC(=O)OC M100040 [1,1,0,0,0,0|0,1,1]=4 877 B6R0.1 CCCC(=O)SC M102997 [1,1,0,0,0,0|0,0,1]=3 878 B6R0.1 CCCC(C#C)O H101580 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.1 CCCC(C)C=O M158691 [1,1,0,0,0,0|0,0,2]=4 880 B6R0.1 CCCC(C)CC M158521 [1,1,0,0,0,0|1,0,0]=3 881 B6R0.1 CCCC(C)CO M113625 [1,1,0,0,0,0|0,0,0]=2 882 B6R0.1 CCCC(C=C)O H157268 [1,1,0,0,0,0|1,0,1]=4 883 B6R0.1 CCCC(CC)Br B152444 [1,1,0,0,0,0|1,0,0]=3 884 B6R0.1 CCCC(CC)Cl C153662 [1,1,0,0,0,0|1,0,0]=3 885 B6R0.1 CCCC(CC)O H133955 [1,1,0,0,0,0|1,0,0]=3 886 B6R0.1 CCCC(CO)N D333561 [1,1,0,0,0,0|0,0,0]=2 887 B6R0.1 CCCC(CO)N I168777 [1,1,0,0,0,0|0,0,0]=2 888 B6R0.1 CCCC(CO)O P108068 [1,1,0,0,0,0|0,0,0]=2 889 B6R0.1 CCOC(=O)CO E101730 [1,1,0,0,0,0|1,0,1]=4 890 B6R0.1 CNCC(CO)O M157918 [1,1,0,0,0,0|1,0,0]=3 891 B6R0.1 COC(=O)CCO D304149 [1,1,0,0,0,0|0,1,1]=4 892 B6R0.1 COC(=O)CSC M120419 [1,1,0,0,0,0|1,0,1]=4 893 B6R0.1 COCC(CCl)O C153895 [1,1,0,0,0,0|1,1,0]=4 894 B6R0.1 COCC(CN)O A479789 [1,1,0,0,0,0|1,1,0]=4 895 B6R0.1 COCC(CO)O M135227 [1,1,0,0,0,0|0,1,0]=3 896 B6R0.4 B(CCCC)(O)O B101013 [1,1,0,0,0,0|1,0,0]=3 897 B6R0.4 C(CC(=O)O)CBr B106907 [1,1,0,0,0,0|1,0,1]=4 898 B6R0.4 C(CC(=O)O)CCl C134513 [1,1,0,0,0,0|1,0,1]=4 899 B6R0.4 C(CC(=O)O)CN A104200 [1,1,0,0,0,0|1,0,1]=4 900 B6R0.4 C(CC(=O)O)CN A293557 [1,1,0,0,0,0|1,0,1]=4 901 B6R0.4 C(CC(=O)O)CN A424756 [1,1,0,0,0,0|1,0,1]=4 902 B6R0.4 C(CC(=O)O)CN A468499 [1,1,0,0,0,0|1,0,1]=4 903 B6R0.4 C(CC(=O)O)CN A472038 [1,1,0,0,0,0|1,0,1]=4 904 B6R0.4 C(CC(=O)O)CN G276591 [1,1,0,0,0,0|1,0,1]=4 905 B6R0.4 C(CN)C[P+](=O)O A275461 [1,1,0,0,0,0|2,0,0]=4 906 B6R0.4 C(C[N+](=O)[O-])CO N164462 [1,1,0,0,0,0|1,1,0]=4 907 B6R0.4 CC(=O)CCCBr B345087 [1,1,0,0,0,0|1,0,1]=4 908 B6R0.4 CC(=O)CCCCl C108070 [1,1,0,0,0,0|1,0,1]=4 909 B6R0.4 CC(=O)CCSC M135087 [1,1,0,0,0,0|0,0,1]=3 910 B6R0.4 CC(=O)NCCO A112970 [1,1,0,0,0,0|1,0,1]=4 911 B6R0.4 CC(=O)NCCO A112971 [1,1,0,0,0,0|1,0,1]=4 912 B6R0.4 CC(=O)OCCO H156959 [1,1,0,0,0,0|1,0,1]=4 913 B6R0.4 CC(C)CCC#N I157667 [1,1,0,0,0,0|1,0,1]=4 914 B6R0.4 CC(C)CCC=O M586390 [1,1,0,0,0,0|0,0,2]=4 915 B6R0.4 CC(C)CCCBr B152440 [1,1,0,0,0,0|1,0,0]=3 916 B6R0.4 CC(C)CCCO I136441 [1,1,0,0,0,0|0,0,0]=2 917 B6R0.4 CC(C)NCCN N159348 [1,1,0,0,0,0|2,0,0]=4 918 B6R0.4 CC(C)NCCO I157482 [1,1,0,0,0,0|1,0,0]=3 919 B6R0.4 CC(C)NCCO I431393 [1,1,0,0,0,0|1,0,0]=3 920 B6R0.4 CC(C)OCCO I106814 [1,1,0,0,0,0|1,0,0]=3 921 B6R0.4 CC(CCCBr)Br D155307 [1,1,0,0,0,0|1,0,0]=3 922 B6R0.4 CC(CCCO)O P171240 [1,1,0,0,0,0|0,0,0]=2 923 B6R0.4 CCCCC(=N)N D305243 [1,1,0,0,0,0|1,0,1]=4 924 B6R0.4 CCCCC(=O)Br V162931 [1,1,0,0,0,0|0,0,2]=4 925 B6R0.4 CCCCC(=O)C H105743 [1,1,0,0,0,0|1,0,0]=3 926 B6R0.4 CCCCC(=O)C H105744 [1,1,0,0,0,0|1,0,0]=3 927 B6R0.4 CCCCC(=O)C H111491 [1,1,0,0,0,0|1,0,0]=3 928 B6R0.4 CCCCC(=O)C H141140 [1,1,0,0,0,0|1,0,0]=3 929 B6R0.4 CCCCC(=O)Cl V107241 [1,1,0,0,0,0|0,0,2]=4 930 B6R0.4 CCCCC(=O)N V162967 [1,1,0,0,0,0|0,0,2]=4 931 B6R0.4 CCCCC(=O)O V108269 [1,1,0,0,0,0|0,0,1]=3 932 B6R0.4 CCCCC(=O)O V108270 [1,1,0,0,0,0|0,0,1]=3 933 B6R0.4 CCCCC(=O)O V108271 [1,1,0,0,0,0|0,0,1]=3 934 B6R0.4 CCCCC(=O)O V108272 [1,1,0,0,0,0|0,0,1]=3 935 B6R0.4 CCCCC(=O)O V302252 [1,1,0,0,0,0|0,0,1]=3 936 B6R0.4 CCCCC(=O)[O-] S194180 [1,1,0,0,0,0|0,0,2]=4 937 B6R0.4 CCCCC(C)C M158516 [1,1,0,0,0,0|1,0,0]=3 938 B6R0.4 CCCCC(C)Cl C153661 [1,1,0,0,0,0|1,0,0]=3 939 B6R0.4 CCCCC(C)N B301374 [1,1,0,0,0,0|1,0,0]=3 940 B6R0.4 CCCCC(C)O H105565 [1,1,0,0,0,0|0,0,0]=2 941 B6R0.4 CCCCC(C)O I170762 [1,1,0,0,0,0|0,0,0]=2 942 B6R0.4 CCCCC(C)O R588494 [1,1,0,0,0,0|0,0,0]=2 943 B6R0.4 CCCCN(C)C D108036 [1,1,0,0,0,0|1,0,0]=3 944 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,1,0,0,0,0|1,0,1]=4 945 B6R0.4 CCCC[Sn](=O)O M107696 [1,1,0,0,0,0|1,0,0]=3 946 B6R0.4 CCCOC(=O)C P103882 [1,1,0,0,0,0|2,0,0]=4 947 B6R0.4 CCCOC(=O)C P103883 [1,1,0,0,0,0|2,0,0]=4 948 B6R0.4 CCCSC(=O)C S161333 [1,1,0,0,0,0|2,0,0]=4 949 B6R0.4 CCCSC(C)C I157608 [1,1,0,0,0,0|2,0,0]=4 950 B6R0.4 CCNCC(=O)O N159193 [1,1,0,0,0,0|1,0,1]=4 951 B6R0.4 CCOCC(=O)O E156174 [1,1,0,0,0,0|1,0,1]=4 952 B6R0.4 CCOCC(C)O E110143 [1,1,0,0,0,0|1,0,0]=3 953 B6R0.4 CCSCC(=O)O E300419 [1,1,0,0,0,0|1,0,1]=4 954 B6R0.4 CN(C)CCCBr B194072 [1,1,0,0,0,0|2,0,0]=4 955 B6R0.4 CN(C)CCCCl C353600 [1,1,0,0,0,0|2,0,0]=4 956 B6R0.4 CN(C)CCCCl D154697 [1,1,0,0,0,0|2,0,0]=4 957 B6R0.4 CN(C)CCCN D110909 [1,1,0,0,0,0|2,0,0]=4 958 B6R0.4 CN(C)CCCN N493682 [1,1,0,0,0,0|2,0,0]=4 959 B6R0.4 CN(C)CCCN N494190 [1,1,0,0,0,0|2,0,0]=4 960 B6R0.4 CN(C)CCCO D106344 [1,1,0,0,0,0|1,0,0]=3 961 B6R0.4 CNCCC(=O)O M183299 [1,1,0,0,0,0|1,0,1]=4 962 B6R0.4 CNCCN(C)C N159374 [1,1,0,0,0,0|2,0,0]=4 963 B6R0.4 CNCCN(C)C N192745 [1,1,0,0,0,0|2,0,0]=4 964 B6R0.4 COCCC(=O)O M169065 [1,1,0,0,0,0|0,1,1]=4 965 B6R0.4 CSCCC(=O)Cl M158416 [1,1,0,0,0,0|0,0,2]=4 966 B6R0.4 CSCCC(=O)O M158072 [1,1,0,0,0,0|0,0,1]=3 967 B8R0.1 CCCCC(=O)CCC O160045 [0,2,0,0,0,0|2,0,0]=4 968 B8R0.1 CCCCC(CCC)O O159906 [0,2,0,0,0,0|2,0,0]=4 969 B8R0.1 CCOC(=O)CCSC E107629 [0,2,0,0,0,0|1,0,1]=4 970 B8R0.4 C#CCCCCCCBr B590235 [0,2,0,0,0,0|2,0,0]=4 971 B8R0.4 C#CCCCCCCN O587273 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.4 C#CCCCCCCO O136501 [0,2,0,0,0,0|1,0,0]=3 973 B8R0.4 C(CCCBr)CCC#N B354089 [0,2,0,0,0,0|2,0,0]=4 974 B8R0.4 C(CCCBr)CCCBr D106496 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.4 C(CCCN)CCCN D111099 [0,2,0,0,0,0|2,0,0]=4 976 B8R0.4 C(CCCN)CCCO A493194 [0,2,0,0,0,0|1,0,0]=3 977 B8R0.4 C(CCCO)CCCBr B132089 [0,2,0,0,0,0|1,0,0]=3 978 B8R0.4 C(CCCO)CCCO H136447 [0,2,0,0,0,0|1,0,0]=3 979 B8R0.4 C(CN)CNCCCN D155042 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.4 C(CNCCCO)CO H302815 [0,2,0,0,0,0|1,0,0]=3 981 B8R0.4 C(CO)COCCCO O588346 [0,2,0,0,0,0|1,0,0]=3 982 B8R0.4 C(CO)CSCCCO T472193 [0,2,0,0,0,0|1,0,0]=3 983 B8R0.4 C(COCCCCl)CCl B194288 [0,2,0,0,0,0|2,0,0]=4 984 B8R0.4 C(COCCO)N=[N+]=[N-] A339876 [0,2,0,0,0,0|2,0,0]=4 985 B8R0.4 C=CCCCC=CCO O159909 [0,2,0,0,0,0|1,0,1]=4 986 B8R0.4 C=CCCCCCCBr B134900 [0,2,0,0,0,0|2,0,0]=4 987 B8R0.4 C=CCCCCCCO O159908 [0,2,0,0,0,0|1,0,0]=3 988 B8R0.4 C=COCCOCCO D155145 [0,2,0,0,0,0|0,1,1]=4 989 B8R0.4 CCC=CCCCCO C153379 [0,2,0,0,0,0|1,0,0]=3 990 B8R0.4 CCCCC#CCCO O159921 [0,2,0,0,0,0|1,0,0]=3 991 B8R0.4 CCCCC=CCCO C153378 [0,2,0,0,0,0|1,0,0]=3 992 B8R0.4 CCCCCC#CCC N159650 [0,2,0,0,0,0|2,0,0]=4 993 B8R0.4 CCCCCC#CCCl C154112 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.4 CCCCCC=CCO T161811 [0,2,0,0,0,0|1,0,0]=3 995 B8R0.4 CCCCCCCC#C N100831 [0,2,0,0,0,0|2,0,0]=4 996 B8R0.4 CCCCCCCC=C N109555 [0,2,0,0,0,0|2,0,0]=4 997 B8R0.4 CCCCCCCC=C N110481 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.4 CCCCCCCC=O O106930 [0,2,0,0,0,0|1,0,1]=4 999 B8R0.4 CCCCCCCC=O O106931 [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.4 CCCCCCCC=O O345608 [0,2,0,0,0,0|1,0,1]=4 1001 B8R0.4 CCCCCCCCBr B105260 [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.4 CCCCCCCCC N103391 [0,2,0,0,0,0|2,0,0]=4 1003 B8R0.4 CCCCCCCCC N103392 [0,2,0,0,0,0|2,0,0]=4 1004 B8R0.4 CCCCCCCCC N103393 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.4 CCCCCCCCC N119711 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.4 CCCCCCCCCl C111401 [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.4 CCCCCCCCCl C111402 [0,2,0,0,0,0|2,0,0]=4 1008 B8R0.4 CCCCCCCCF F170468 [0,2,0,0,0,0|2,0,0]=4 1009 B8R0.4 CCCCCCCCI I157580 [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.4 CCCCCCCCN N159007 [0,2,0,0,0,0|2,0,0]=4 1011 B8R0.4 CCCCCCCCN N159690 [0,2,0,0,0,0|2,0,0]=4 1012 B8R0.4 CCCCCCCCN O110545 [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.4 CCCCCCCCN O110546 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.4 CCCCCCCCN O491873 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.4 CCCCCCCCN O492190 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.4 CCCCCCCCO O103324 [0,2,0,0,0,0|1,0,0]=3 1017 B8R0.4 CCCCCCCCO O103325 [0,2,0,0,0,0|1,0,0]=3 1018 B8R0.4 CCCCCCCCO O103326 [0,2,0,0,0,0|1,0,0]=3 1019 B8R0.4 CCCCCCCCO O119018 [0,2,0,0,0,0|1,0,0]=3 1020 B8R0.4 CCCCCCCCO O119679 [0,2,0,0,0,0|1,0,0]=3 1021 B8R0.4 CCCCCCCCO O491594 [0,2,0,0,0,0|1,0,0]=3 1022 B8R0.4 CCCCCCCCS O105587 [0,2,0,0,0,0|1,1,0]=4 1023 B8R0.4 CCCCCCCC[CH2-] N332405 [0,2,0,0,0,0|2,0,0]=4 1024 B8R0.4 CCCCCCCC[NH3+] N290338 [0,2,0,0,0,0|2,0,0]=4 1025 B8R0.4 CCCCCCCSC H157103 [0,2,0,0,0,0|1,0,0]=3 1026 B8R0.4 CCCCCCN=C=O H157416 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.4 CCCCCCN=C=S H140517 [0,2,0,0,0,0|1,1,0]=4 1028 B8R0.4 CCCCCCOC=O H113684 [0,2,0,0,0,0|1,0,0]=3 1029 B8R0.4 CCCCCCON=O H157340 [0,2,0,0,0,0|1,0,0]=3 1030 B8R0.4 CCCCNCCCC D111219 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.4 CCCCNCCCC D189175 [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.4 CCCCNCCCC D345139 [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.4 CCCCNCCCC D404365 [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.4 CCCCNCCCC D404367 [0,2,0,0,0,0|2,0,0]=4 1035 B8R0.4 CCCCNCCCC D431482 [0,2,0,0,0,0|2,0,0]=4 1036 B8R0.4 CCCCNCCCC D494160 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.4 CCCCOCCC#N B152448 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.4 CCCCOCCCC B110451 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.4 CCCCOCCCC B110452 [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.4 CCCCOCCCC B110453 [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.4 CCCCOCCCC B119693 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.4 CCCCOCCCC B194104 [0,2,0,0,0,0|2,0,0]=4 1043 B8R0.4 CCCCOCCCN B152034 [0,2,0,0,0,0|2,0,0]=4 1044 B8R0.4 CCCCSCCCC B136661 [0,2,0,0,0,0|2,0,0]=4 1045 B8R0.4 CCNCCCNCC D124208 [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.4 CCOCCOCCO D104410 [0,2,0,0,0,0|0,1,0]=3 1047 B8R0.4 CCOCCOCCO D104411 [0,2,0,0,0,0|0,1,0]=3 1048 B8R0.4 CCOCCOCCO D104412 [0,2,0,0,0,0|0,1,0]=3 1049 B8R0.4 COCCCCCOC D155548 [0,2,0,0,0,0|0,1,0]=3 1050 B8R0.4 COCCNCCOC B152060 [0,2,0,0,0,0|0,1,0]=3 1051 B8R0.4 COCCOCCCBr M158050 [0,2,0,0,0,0|1,1,0]=4 1052 B8R0.4 COCCOCCOC M104413 [0,2,0,0,0,0|0,1,0]=3 1053 B8R0.4 COCCOCCOC M104414 [0,2,0,0,0,0|0,1,0]=3 1054 B8R0.4 COCCOCCOC M104417 [0,2,0,0,0,0|0,1,0]=3 1055 B8R0.4 COCCOCCOC M104418 [0,2,0,0,0,0|0,1,0]=3 1056 B8R0.4 COCCOCCOC M104420 [0,2,0,0,0,0|0,1,0]=3 1057 B8R0.4 COCCOCCOC M104422 [0,2,0,0,0,0|0,1,0]=3 1058 B8R0.4 COCCOCCOC M615388 [0,2,0,0,0,0|0,1,0]=3 1059 B8R0.6 C(CCO)CC(CO)O H105564 [0,2,0,0,0,0|1,0,0]=3 1060 B8R0.6 C=CCOCC(CO)O A151103 [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.6 CCCCCC(=O)CC O106928 [0,2,0,0,0,0|2,0,0]=4 1062 B8R0.6 CCCCCC(=O)CC O106929 [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.6 CCCCCC(=O)OC M112312 [0,2,0,0,0,0|1,0,1]=4 1064 B8R0.6 CCCCCC(=O)OC M112313 [0,2,0,0,0,0|1,0,1]=4 1065 B8R0.6 CCCCCC(=O)OC M112314 [0,2,0,0,0,0|1,0,1]=4 1066 B8R0.6 CCCCCC(C#C)O O113758 [0,2,0,0,0,0|1,0,0]=3 1067 B8R0.6 CCCCCC(C)CC M158522 [0,2,0,0,0,0|2,0,0]=4 1068 B8R0.6 CCCCCC(C=C)O O102968 [0,2,0,0,0,0|1,0,0]=3 1069 B8R0.6 CCCCCC(C=C)O S463982 [0,2,0,0,0,0|1,0,0]=3 1070 B8R0.6 CCCCCC(CC)O O159907 [0,2,0,0,0,0|1,0,0]=3 1071 B8R0.6 CCCCCN(C)N=O N347915 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.6 CCCCOC(=O)CO B134012 [0,2,0,0,0,0|1,0,1]=4 1073 B8R0.6 CCCCOC(=O)CO B493056 [0,2,0,0,0,0|1,0,1]=4 1074 B8R0.6 CCCOCC(CO)O O353306 [0,2,0,0,0,0|1,0,0]=3 1075 B8R0.6 COC(=O)CCCCBr M157983 [0,2,0,0,0,0|1,1,0]=4 1076 B8R0.6 COC(=O)CCCCCl M167259 [0,2,0,0,0,0|1,1,0]=4 1077 B8R0.7 B(CCCCCC)(O)O H299977 [0,2,0,0,0,0|1,0,0]=3 1078 B8R0.7 C#CCCCCC(=O)O H107741 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,2,0,0,0,0|1,0,1]=4 1080 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,2,0,0,0,0|1,0,1]=4 1081 B8R0.7 C(CCC(=O)O)CCN A306000 [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.7 C(CCC(=O)O)CCN A433060 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.7 C(CCC(=O)O)CCO H302536 [0,2,0,0,0,0|1,0,1]=4 1084 B8R0.7 C(CCC(=O)O)CCS M292991 [0,2,0,0,0,0|1,0,1]=4 1085 B8R0.7 C(CCC(=O)O)CCS M345400 [0,2,0,0,0,0|1,0,1]=4 1086 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,2,0,0,0,0|1,0,1]=4 1087 B8R0.7 CC(=O)NCCCCN I168071 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.7 CC(=O)NCCCCN N159176 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.7 CC(=O)OCCCCBr B136623 [0,2,0,0,0,0|1,1,0]=4 1090 B8R0.7 CC(=O)OCCCCCl C133987 [0,2,0,0,0,0|1,1,0]=4 1091 B8R0.7 CC(=O)OCCCCI I476998 [0,2,0,0,0,0|1,1,0]=4 1092 B8R0.7 CC(=O)OCCCSC M157982 [0,2,0,0,0,0|0,0,2]=4 1093 B8R0.7 CC(C)NCCCCO I157483 [0,2,0,0,0,0|1,0,0]=3 1094 B8R0.7 CCCCCCC(=O)C O111186 [0,2,0,0,0,0|1,0,1]=4 1095 B8R0.7 CCCCCCC(=O)C O111187 [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.7 CCCCCCC(=O)Cl H102418 [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.7 CCCCCCC(=O)O H103518 [0,2,0,0,0,0|1,0,0]=3 1098 B8R0.7 CCCCCCC(=O)O H103519 [0,2,0,0,0,0|1,0,0]=3 1099 B8R0.7 CCCCCCC(=O)O H103520 [0,2,0,0,0,0|1,0,0]=3 1100 B8R0.7 CCCCCCC(=O)O H431469 [0,2,0,0,0,0|1,0,0]=3 1101 B8R0.7 CCCCCCC(=O)[O-] S161315 [0,2,0,0,0,0|1,0,1]=4 1102 B8R0.7 CCCCCCC(C)Br B152446 [0,2,0,0,0,0|2,0,0]=4 1103 B8R0.7 CCCCCCC(C)C M158524 [0,2,0,0,0,0|2,0,0]=4 1104 B8R0.7 CCCCCCC(C)N A151716 [0,2,0,0,0,0|2,0,0]=4 1105 B8R0.7 CCCCCCC(C)N I169738 [0,2,0,0,0,0|2,0,0]=4 1106 B8R0.7 CCCCCCC(C)O O111525 [0,2,0,0,0,0|1,0,0]=3 1107 B8R0.7 CCCCCCC(C)O O111526 [0,2,0,0,0,0|1,0,0]=3 1108 B8R0.7 CCCCCCC(C)O O111527 [0,2,0,0,0,0|1,0,0]=3 1109 B8R0.7 CCCCCCC(C)O O111528 [0,2,0,0,0,0|1,0,0]=3 1110 B8R0.7 CCCCCCC(C)O R160889 [0,2,0,0,0,0|1,0,0]=3 1111 B8R0.7 CCCCCCC(C)O S161171 [0,2,0,0,0,0|1,0,0]=3 1112 B8R0.7 CCCCCCN(C)C N303722 [0,2,0,0,0,0|2,0,0]=4 1113 B8R0.7 CCCCCOC(=O)C A103450 [0,2,0,0,0,0|1,1,0]=4 1114 B8R0.7 CCCCCOC(=O)C A103451 [0,2,0,0,0,0|1,1,0]=4 1115 B8R0.7 CCCCCOC(=O)C A103452 [0,2,0,0,0,0|1,1,0]=4 1116 B8R0.7 CCCCOCC(=O)O B152317 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.7 CCCCOCC(C)O B151801 [0,2,0,0,0,0|1,0,0]=3 1118 B8R0.7 CN(C)CCOCCO D124510 [0,2,0,0,0,0|1,0,0]=3 1119 B8R0.7 COCCOCC(=O)O M138320 [0,2,0,0,0,0|0,1,1]=4 1120 B8R0.3 C(C=O)C(C(CO)O)O D104784 [0,2,0,0,0,0|2,0,0]=4 1121 B8R0.3 C(C=O)C(C(CO)O)O D118253 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.3 C(C=O)C(C(CO)O)O D424566 [0,2,0,0,0,0|2,0,0]=4 1123 B8R0.3 C(C=O)C(C(CO)O)O D485294 [0,2,0,0,0,0|2,0,0]=4 1124 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,2,0,0,0,0|1,0,1]=4 1125 B8R0.8 CCCCC(C(=O)O)N L485252 [0,2,0,0,0,0|1,0,1]=4 1126 B8R0.8 CCCCC(C(=O)O)N N105991 [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.8 CCCCC(C(=O)O)N N109230 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.8 CCCCC(C(=O)O)N S136235 [0,2,0,0,0,0|1,0,1]=4 1129 B8R0.8 CCCCC(C(=O)O)O H300379 [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.8 CCCCC(C(=O)O)O H425022 [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.8 CCCCC(C)C(=O)O M158388 [0,2,0,0,0,0|1,0,1]=4 1132 B8R0.8 CCCCC(C)C(=O)O M424064 [0,2,0,0,0,0|1,0,1]=4 1133 B8R0.8 CCCCC(C)C(C)C D155224 [0,2,0,0,0,0|2,0,0]=4 1134 B8R0.8 CSCCC(C(=O)N)N S587494 [0,2,0,0,0,0|0,0,2]=4 1135 B8R0.8 CSCCC(C(=O)O)N D423548 [0,2,0,0,0,0|0,0,1]=3 1136 B8R0.8 CSCCC(C(=O)O)N D424961 [0,2,0,0,0,0|0,0,1]=3 1137 B8R0.8 CSCCC(C(=O)O)N L133003 [0,2,0,0,0,0|0,0,1]=3 1138 B8R0.8 CSCCC(C(=O)O)N L425234 [0,2,0,0,0,0|0,0,1]=3 1139 B8R0.8 CSCCC(C(=O)O)N M101130 [0,2,0,0,0,0|0,0,1]=3 1140 B8R0.8 CSCCC(C(=O)O)N M101131 [0,2,0,0,0,0|0,0,1]=3 1141 B8R0.8 CSCCC(C(=O)O)N M104886 [0,2,0,0,0,0|0,0,1]=3 1142 B8R0.8 CSCCC(C(=O)O)N M109223 [0,2,0,0,0,0|0,0,1]=3 1143 B8R0.8 CSCCC(C(=O)O)O H194065 [0,2,0,0,0,0|0,0,1]=3 1144 B8R0.8 CSCCC(C(=O)[O-])O C133719 [0,2,0,0,0,0|0,0,2]=4 1145 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [0,2,0,0,0,0|0,1,1]=4 1146 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [0,2,0,0,0,0|0,1,1]=4 1147 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [0,2,0,0,0,0|0,1,1]=4 1148 B8R0.9 CC(=O)OCC(CO)O M158754 [0,2,0,0,0,0|2,0,0]=4 1149 B8R0.9 CC(C)NCC(CO)O I304271 [0,2,0,0,0,0|2,0,0]=4 1150 B8R0.9 CC(CO)OCC(C)O P103208 [0,2,0,0,0,0|2,0,0]=4 1151 B8R0.9 CC(CO)OCC(C)O P103209 [0,2,0,0,0,0|2,0,0]=4 1152 B8R0.9 CC(CO)OCC(C)O P103210 [0,2,0,0,0,0|2,0,0]=4 1153 B8R0.9 CC(CO)OCC(C)O P103211 [0,2,0,0,0,0|2,0,0]=4 1154 B8R0.9 CC(CO)OCC(C)O P103212 [0,2,0,0,0,0|2,0,0]=4 1155 B8R0.9 CC(CO)OCC(C)O P639154 [0,2,0,0,0,0|2,0,0]=4 1156 B8R0.9 CCC(C)CCC(=O)O M138303 [0,2,0,0,0,0|1,0,1]=4 1157 B8R0.9 CCC(C)CCC(C)C D155227 [0,2,0,0,0,0|2,0,0]=4 1158 B8R0.11 CCCCC(CC)C=O E156034 [0,2,0,0,0,0|2,0,0]=4 1159 B8R0.11 CCCCC(CC)CBr E110127 [0,2,0,0,0,0|2,0,0]=4 1160 B8R0.11 CCCCC(CC)CCl C102335 [0,2,0,0,0,0|2,0,0]=4 1161 B8R0.11 CCCCC(CC)CN E108992 [0,2,0,0,0,0|2,0,0]=4 1162 B8R0.11 CCCCC(CC)CN E133205 [0,2,0,0,0,0|2,0,0]=4 1163 B8R0.11 CCCCC(CC)CN E301663 [0,2,0,0,0,0|2,0,0]=4 1164 B8R0.11 CCCCC(CC)CO E101075 [0,2,0,0,0,0|1,0,0]=3 1165 B8R0.11 CCCCC(CC)CO E101076 [0,2,0,0,0,0|1,0,0]=3 1166 B8R0.11 CCCCC(CC)CO E101078 [0,2,0,0,0,0|1,0,0]=3 1167 B8R0.11 CCCCC(CC)CO E101080 [0,2,0,0,0,0|1,0,0]=3 1168 B8R0.11 CCCCC(CC)CS E102329 [0,2,0,0,0,0|1,1,0]=4 1169 B8R0.11 CCCCC(CC)C[O-] T189573 [0,2,0,0,0,0|1,0,1]=4 1170 B8R0.11 CCN(CC)CCCO D135866 [0,2,0,0,0,0|2,0,0]=4 1171 B8R0.11 COC(CCCCl)OC C133630 [0,2,0,0,0,0|1,1,0]=4 1172 B8R0.11 COC(CCCN)OC A132534 [0,2,0,0,0,0|1,1,0]=4 1173 B8R0.25 CCCCC(C)(CC)O M303984 [0,2,0,0,0,0|2,0,0]=4 1174 B8R0.5 CCCC(C)CC(=C)C D155264 [0,2,0,0,0,0|2,0,0]=4 1175 B8R0.5 CCCC(C)CC(C)C D155226 [0,2,0,0,0,0|2,0,0]=4 1176 B8R0.5 CCCC(C)CC(C)C D414618 [0,2,0,0,0,0|2,0,0]=4 1177 B8R0.21 C[Si](C)(C)CCCCO T303337 [0,2,0,0,0,0|1,0,0]=3 1178 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,2,0,0,0,0|1,0,1]=4 1179 B8R0.28 CC(C)CCCC(=C)C D155274 [0,2,0,0,0,0|2,0,0]=4 1180 B8R0.28 CC(C)CCCC(=O)C M158865 [0,2,0,0,0,0|2,0,0]=4 1181 B8R0.28 CC(C)CCCC(=O)O M158389 [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.28 CC(C)CCCC(C)N D299499 [0,2,0,0,0,0|2,0,0]=4 1183 B8R0.28 CC(C)CCCC(C)N D424637 [0,2,0,0,0,0|2,0,0]=4 1184 B8R0.28 CC(C)CCCC(C)O M157902 [0,2,0,0,0,0|1,0,0]=3 1185 B8R0.28 CC(CNCC(C)O)O D106370 [0,2,0,0,0,0|2,0,0]=4 1186 B8R0.28 CN(C)CCCC(=O)O D589906 [0,2,0,0,0,0|1,0,1]=4 1187 B8R0.28 CN(C)CCCC(=O)O W133561 [0,2,0,0,0,0|1,0,1]=4 1188 B8R0.22 CCCC(CC)CCC E156246 [0,2,0,0,0,0|2,0,0]=4 1189 B8R0.22 CCCC(CCC)C#N P492425 [0,2,0,0,0,0|2,0,0]=4 1190 B8R0.22 CCCC(CCC)CO P337911 [0,2,0,0,0,0|2,0,0]=4 1191 B8R0.22 CCCC(CCO)SC M102904 [0,2,0,0,0,0|1,0,0]=3 1192 B8R0.30 CCCC(C)(CCC)O M157913 [0,2,0,0,0,0|2,0,0]=4 1193 B6R1.1 C1CC=COC1 D106433 [1,0,0,1,0,0|0,0,2]=4 1194 B6R1.1 C1CCC=CC1 C112737 [1,0,0,1,0,0|1,0,1]=4 1195 B6R1.1 C1CCC=CC1 C112738 [1,0,0,1,0,0|1,0,1]=4 1196 B6R1.1 C1CCC=CC1 C118621 [1,0,0,1,0,0|1,0,1]=4 1197 B6R1.1 C1CCCCC1 C100583 [1,0,0,1,0,0|1,0,0]=3 1198 B6R1.1 C1CCCCC1 C100584 [1,0,0,1,0,0|1,0,0]=3 1199 B6R1.1 C1CCCCC1 C100585 [1,0,0,1,0,0|1,0,0]=3 1200 B6R1.1 C1CCCCC1 C100586 [1,0,0,1,0,0|1,0,0]=3 1201 B6R1.1 C1CCCCC1 C100587 [1,0,0,1,0,0|1,0,0]=3 1202 B6R1.1 C1CCCCC1 C119462 [1,0,0,1,0,0|1,0,0]=3 1203 B6R1.1 C1CCCCC1 C305176 [1,0,0,1,0,0|1,0,0]=3 1204 B6R1.1 C1CCCCC1 C431457 [1,0,0,1,0,0|1,0,0]=3 1205 B6R1.1 C1CCNCC1 P194173 [1,0,0,1,0,0|1,0,0]=3 1206 B6R1.1 C1CCNCC1 P492785 [1,0,0,1,0,0|1,0,0]=3 1207 B6R1.1 C1CCOCC1 T100998 [1,0,0,1,0,0|0,0,0]=2 1208 B6R1.1 C1CCOCC1 T298966 [1,0,0,1,0,0|0,0,0]=2 1209 B6R1.1 C1CC[NH2+]CC1 P193473 [1,0,0,1,0,0|1,0,0]=3 1210 B6R1.1 C1CNCCN1 P105274 [1,0,0,1,0,0|2,0,0]=4 1211 B6R1.1 C1CNCCN1 P105279 [1,0,0,1,0,0|2,0,0]=4 1212 B6R1.1 C1CNCCN1 P105280 [1,0,0,1,0,0|2,0,0]=4 1213 B6R1.1 C1CNCCN1 P160640 [1,0,0,1,0,0|2,0,0]=4 1214 B6R1.1 C1CNCCN1 P160723 [1,0,0,1,0,0|2,0,0]=4 1215 B6R1.1 C1CNCCN1 P160724 [1,0,0,1,0,0|2,0,0]=4 1216 B6R1.1 C1CNCCN1 P189055 [1,0,0,1,0,0|2,0,0]=4 1217 B6R1.1 C1CNCCN1 P494142 [1,0,0,1,0,0|2,0,0]=4 1218 B6R1.1 C1COCCN1 B135840 [1,0,0,1,0,0|1,0,0]=3 1219 B6R1.1 C1COCCN1 M109058 [1,0,0,1,0,0|1,0,0]=3 1220 B6R1.1 C1COCCN1 M109059 [1,0,0,1,0,0|1,0,0]=3 1221 B6R1.1 C1COCCN1 M109060 [1,0,0,1,0,0|1,0,0]=3 1222 B6R1.1 C1COCCN1 M109061 [1,0,0,1,0,0|1,0,0]=3 1223 B6R1.1 C1COCCN1 M109062 [1,0,0,1,0,0|1,0,0]=3 1224 B6R1.1 C1COCCN1 M109063 [1,0,0,1,0,0|1,0,0]=3 1225 B6R1.1 C1COCCN1 M404758 [1,0,0,1,0,0|1,0,0]=3 1226 B6R1.1 C1COCCN1 M405755 [1,0,0,1,0,0|1,0,0]=3 1227 B6R1.1 C1COCCN1 M493696 [1,0,0,1,0,0|1,0,0]=3 1228 B6R1.1 C1COCCN1 M493905 [1,0,0,1,0,0|1,0,0]=3 1229 B6R1.1 C1COCCO1 D116156 [1,0,0,1,0,0|1,0,0]=3 1230 B6R1.1 C1COCCO1 D116157 [1,0,0,1,0,0|1,0,0]=3 1231 B6R1.1 C1COCCO1 D116158 [1,0,0,1,0,0|1,0,0]=3 1232 B6R1.1 C1COCCO1 D116159 [1,0,0,1,0,0|1,0,0]=3 1233 B6R1.1 C1COCCO1 D116160 [1,0,0,1,0,0|1,0,0]=3 1234 B6R1.1 C1COCCO1 D116161 [1,0,0,1,0,0|1,0,0]=3 1235 B6R1.1 C1COCCO1 D116162 [1,0,0,1,0,0|1,0,0]=3 1236 B6R1.1 C1COCCO1 D116163 [1,0,0,1,0,0|1,0,0]=3 1237 B6R1.1 C1COCCO1 D118381 [1,0,0,1,0,0|1,0,0]=3 1238 B6R1.1 C1COCCO1 D431641 [1,0,0,1,0,0|1,0,0]=3 1239 B6R1.1 C1COCOC1 D155920 [1,0,0,1,0,0|0,1,0]=3 1240 B6R1.1 C1CSCCN1 T111124 [1,0,0,1,0,0|1,0,0]=3 1241 B6R1.1 C1CSCCO1 T161635 [1,0,0,1,0,0|1,0,0]=3 1242 B6R1.1 C1CSCCS1 D140294 [1,0,0,1,0,0|1,0,0]=3 1243 B6R1.1 C1CSCSC1 D124194 [1,0,0,1,0,0|0,1,0]=3 1244 B6R1.1 C1SCSCS1 T162310 [1,0,0,1,0,0|1,1,0]=4 1245 B6R1.2 C1C=CCC1O C141167 [1,0,0,1,0,0|0,0,2]=4 1246 B6R1.2 C1CC(=N)SC1 I106793 [1,0,0,1,0,0|1,0,1]=4 1247 B6R1.2 C1CC(=N)SC1 I492458 [1,0,0,1,0,0|1,0,1]=4 1248 B6R1.2 C1CC(=O)SC1 T472178 [1,0,0,1,0,0|0,0,2]=4 1249 B6R1.2 C1CC(OC1)O H355199 [1,0,0,1,0,0|0,1,0]=3 1250 B6R1.2 C1CCC(=O)C1 C108566 [1,0,0,1,0,0|0,0,2]=4 1251 B6R1.2 C1CCC(=O)C1 C108567 [1,0,0,1,0,0|0,0,2]=4 1252 B6R1.2 C1CCC(=O)C1 C108568 [1,0,0,1,0,0|0,0,2]=4 1253 B6R1.2 C1CCC(=O)C1 C108569 [1,0,0,1,0,0|0,0,2]=4 1254 B6R1.2 C1CCC(C1)Br C105791 [1,0,0,1,0,0|1,0,0]=3 1255 B6R1.2 C1CCC(C1)Cl C153546 [1,0,0,1,0,0|1,0,0]=3 1256 B6R1.2 C1CCC(C1)F F156721 [1,0,0,1,0,0|1,0,0]=3 1257 B6R1.2 C1CCC(C1)I I167554 [1,0,0,1,0,0|1,0,0]=3 1258 B6R1.2 C1CCC(C1)N C111427 [1,0,0,1,0,0|1,0,0]=3 1259 B6R1.2 C1CCC(C1)O C110398 [1,0,0,1,0,0|0,0,0]=2 1260 B6R1.2 C1CCC(C1)S C106982 [1,0,0,1,0,0|0,1,0]=3 1261 B6R1.2 C1CCS(=O)C1 T162808 [1,0,0,1,0,0|1,0,1]=4 1262 B6R1.2 C1CNCC1Br B166798 [1,0,0,1,0,0|2,0,0]=4 1263 B6R1.2 C1CNCC1F I167099 [1,0,0,1,0,0|2,0,0]=4 1264 B6R1.2 C1CNCC1F I167100 [1,0,0,1,0,0|2,0,0]=4 1265 B6R1.2 C1CNCC1N A128215 [1,0,0,1,0,0|2,0,0]=4 1266 B6R1.2 C1CNCC1N R115472 [1,0,0,1,0,0|2,0,0]=4 1267 B6R1.2 C1CNCC1N S115473 [1,0,0,1,0,0|2,0,0]=4 1268 B6R1.2 C1CNCC1O H115463 [1,0,0,1,0,0|1,0,0]=3 1269 B6R1.2 C1CNCC1O H187203 [1,0,0,1,0,0|1,0,0]=3 1270 B6R1.2 C1CNCC1O P121669 [1,0,0,1,0,0|1,0,0]=3 1271 B6R1.2 C1CNCC1O P128587 [1,0,0,1,0,0|1,0,0]=3 1272 B6R1.2 C1CNCC1O S115471 [1,0,0,1,0,0|1,0,0]=3 1273 B6R1.2 C1CNCC1O S161346 [1,0,0,1,0,0|1,0,0]=3 1274 B6R1.2 C1COCC1Br B175379 [1,0,0,1,0,0|1,1,0]=4 1275 B6R1.2 C1COCC1I I172597 [1,0,0,1,0,0|1,1,0]=4 1276 B6R1.2 C1COCC1N A120073 [1,0,0,1,0,0|1,1,0]=4 1277 B6R1.2 C1COCC1N I165729 [1,0,0,1,0,0|1,1,0]=4 1278 B6R1.2 C1COCC1N S135580 [1,0,0,1,0,0|1,1,0]=4 1279 B6R1.2 C1COCC1N T123495 [1,0,0,1,0,0|1,1,0]=4 1280 B6R1.2 C1COCC1O H107942 [1,0,0,1,0,0|0,1,0]=3 1281 B6R1.2 C1COCC1O H110275 [1,0,0,1,0,0|0,1,0]=3 1282 B6R1.2 C1COCC1O H119958 [1,0,0,1,0,0|0,1,0]=3 1283 B6R1.2 C1CSCC1=O D106839 [1,0,0,1,0,0|0,0,2]=4 1284 B6R1.2 C=C1CCCC1 M158228 [1,0,0,1,0,0|1,0,1]=4 1285 B6R1.2 CC1=CCCC1 M158230 [1,0,0,1,0,0|1,0,1]=4 1286 B6R1.2 CC1=NCCC1 M187405 [1,0,0,1,0,0|1,0,1]=4 1287 B6R1.2 CC1=NCCO1 M158497 [1,0,0,1,0,0|1,0,1]=4 1288 B6R1.2 CC1CCCC1 M101586 [1,0,0,1,0,0|1,0,0]=3 1289 B6R1.2 CC1CCCC1 M101587 [1,0,0,1,0,0|1,0,0]=3 1290 B6R1.2 CC1CCCC1 M101588 [1,0,0,1,0,0|1,0,0]=3 1291 B6R1.2 CC1CCCN1 M121645 [1,0,0,1,0,0|1,0,0]=3 1292 B6R1.2 CC1CCCN1 M341863 [1,0,0,1,0,0|1,0,0]=3 1293 B6R1.2 CC1CCCN1 R173510 [1,0,0,1,0,0|1,0,0]=3 1294 B6R1.2 CC1CCCN1 S589595 [1,0,0,1,0,0|1,0,0]=3 1295 B6R1.2 CC1CCCO1 M106688 [1,0,0,1,0,0|0,0,0]=2 1296 B6R1.2 CC1CCCO1 M106689 [1,0,0,1,0,0|0,0,0]=2 1297 B6R1.2 CC1CCCO1 M119683 [1,0,0,1,0,0|0,0,0]=2 1298 B6R1.2 CC1CCCO1 M298963 [1,0,0,1,0,0|0,0,0]=2 1299 B6R1.2 CC1CCCS1 M138391 [1,0,0,1,0,0|0,1,0]=3 1300 B6R1.2 CC1CCNC1 S175305 [1,0,0,1,0,0|1,0,0]=3 1301 B6R1.2 CC1CCOC1 M302425 [1,0,0,1,0,0|0,1,0]=3 1302 B6R1.2 CC1COCO1 M158513 [1,0,0,1,0,0|1,0,0]=3 1303 B6R1.2 CC1OCCO1 M157785 [1,0,0,1,0,0|1,0,0]=3 1304 B6R1.2 CN1CCCC1 M109523 [1,0,0,1,0,0|1,0,0]=3 1305 B6R1.2 [CH2-]C1OCCO1 D465905 [1,0,0,1,0,0|1,0,1]=4 1306 B6R1.3 C1C(O1)CCBr D302399 [1,0,0,1,0,0|1,0,0]=3 1307 B6R1.3 C1CC1CC#N C339744 [1,0,0,1,0,0|1,0,1]=4 1308 B6R1.3 C1CC1CCI I176162 [1,0,0,1,0,0|1,0,0]=3 1309 B6R1.3 C1CC1CON O194839 [1,0,0,1,0,0|1,1,0]=4 1310 B6R1.3 C1CN1CCO H157166 [1,0,0,1,0,0|1,0,0]=3 1311 B6R1.3 CCCC1CO1 E156390 [1,0,0,1,0,0|0,0,0]=2 1312 B6R1.3 COCC1CO1 G156840 [1,0,0,1,0,0|0,1,0]=3 1313 B6R1.3 COCC1CO1 R160880 [1,0,0,1,0,0|0,1,0]=3 1314 B6R1.3 COCC1CO1 S139136 [1,0,0,1,0,0|0,1,0]=3 1315 B6R1.6 C1C(CN1)CO A124078 [1,0,0,1,0,0|1,0,0]=3 1316 B6R1.6 C1C(CO1)CN A171234 [1,0,0,1,0,0|1,1,0]=4 1317 B6R1.6 C1C(CO1)CO O176971 [1,0,0,1,0,0|0,1,0]=3 1318 B6R1.6 C1CC(C1)C#N C479085 [1,0,0,1,0,0|1,0,1]=4 1319 B6R1.6 C1CC(C1)CBr B119331 [1,0,0,1,0,0|1,0,0]=3 1320 B6R1.6 C1CC(C1)CN C176494 [1,0,0,1,0,0|1,0,0]=3 1321 B6R1.6 C1CC(C1)CN C176749 [1,0,0,1,0,0|1,0,0]=3 1322 B6R1.6 C1CC(C1)CO C120878 [1,0,0,1,0,0|0,0,0]=2 1323 B6R1.6 C1COC1CN S588071 [1,0,0,1,0,0|1,0,0]=3 1324 B6R1.6 C1COC1CO H157030 [1,0,0,1,0,0|0,1,0]=3 1325 B6R1.6 CNC1COC1 N178478 [1,0,0,1,0,0|1,1,0]=4 1326 B6R1.6 COC1CNC1 M123270 [1,0,0,1,0,0|1,1,0]=4 1327 B8R1.2 C#CC1CCCCC1 C334521 [0,1,0,1,0,0|2,0,0]=4 1328 B8R1.2 C1CC(CC=C1)CO C131788 [0,1,0,1,0,0|1,0,0]=3 1329 B8R1.2 C1CC(CNC1)CN A151610 [0,1,0,1,0,0|2,0,0]=4 1330 B8R1.2 C1CC(CNC1)CO P160105 [0,1,0,1,0,0|1,0,0]=3 1331 B8R1.2 C1CC(CNC1)CO S586410 [0,1,0,1,0,0|1,0,0]=3 1332 B8R1.2 C1CC(CNC1)CO S587257 [0,1,0,1,0,0|1,0,0]=3 1333 B8R1.2 C1CC(COC1)CO O174328 [0,1,0,1,0,0|0,1,0]=3 1334 B8R1.2 C1CC(OC=C1)CO D117672 [0,1,0,1,0,0|1,0,1]=4 1335 B8R1.2 C1CCC(=NO)CC1 C109682 [0,1,0,1,0,0|1,0,1]=4 1336 B8R1.2 C1CCC(CC1)C#N C194969 [0,1,0,1,0,0|2,0,0]=4 1337 B8R1.2 C1CCC(CC1)C=O C109681 [0,1,0,1,0,0|1,0,1]=4 1338 B8R1.2 C1CCC(CC1)CBr B121199 [0,1,0,1,0,0|2,0,0]=4 1339 B8R1.2 C1CCC(CC1)CN C138894 [0,1,0,1,0,0|2,0,0]=4 1340 B8R1.2 C1CCC(CC1)CN C303051 [0,1,0,1,0,0|2,0,0]=4 1341 B8R1.2 C1CCC(CC1)CN C493236 [0,1,0,1,0,0|2,0,0]=4 1342 B8R1.2 C1CCC(CC1)CO C106975 [0,1,0,1,0,0|1,0,0]=3 1343 B8R1.2 C1CCC(CC1)NN C135804 [0,1,0,1,0,0|2,0,0]=4 1344 B8R1.2 C1CCC(CC1)NO I169027 [0,1,0,1,0,0|1,0,0]=3 1345 B8R1.2 C1CCNC(C1)CN P132846 [0,1,0,1,0,0|2,0,0]=4 1346 B8R1.2 C1CCNC(C1)CO P124723 [0,1,0,1,0,0|1,0,0]=3 1347 B8R1.2 C1CCOC(C1)CBr B169755 [0,1,0,1,0,0|1,0,0]=3 1348 B8R1.2 C1CCOC(C1)CO T161846 [0,1,0,1,0,0|1,0,0]=3 1349 B8R1.2 C1CCOC(C1)ON T102439 [0,1,0,1,0,0|1,1,0]=4 1350 B8R1.2 C1CNCCC1CN A136022 [0,1,0,1,0,0|2,0,0]=4 1351 B8R1.2 C1CNCCC1CO P113833 [0,1,0,1,0,0|1,0,0]=3 1352 B8R1.2 C1COC(CN1)CN A481712 [0,1,0,1,0,0|2,0,0]=4 1353 B8R1.2 C1COC(CN1)CO M586197 [0,1,0,1,0,0|1,0,0]=3 1354 B8R1.2 C1COC(CO1)CN D586521 [0,1,0,1,0,0|1,1,0]=4 1355 B8R1.2 C1COC(CO1)CN R174405 [0,1,0,1,0,0|1,1,0]=4 1356 B8R1.2 C1COC(CO1)CN S174408 [0,1,0,1,0,0|1,1,0]=4 1357 B8R1.2 C1COC(CO1)CO S193283 [0,1,0,1,0,0|0,1,0]=3 1358 B8R1.2 C1COCC(N1)CO H179128 [0,1,0,1,0,0|0,1,0]=3 1359 B8R1.2 C1COCC(N1)CO M178522 [0,1,0,1,0,0|0,1,0]=3 1360 B8R1.2 C1COCCC1CBr B172996 [0,1,0,1,0,0|1,1,0]=4 1361 B8R1.2 C1COCCC1CN A151618 [0,1,0,1,0,0|1,1,0]=4 1362 B8R1.2 C1COCCC1CN A184237 [0,1,0,1,0,0|1,1,0]=4 1363 B8R1.2 C1COCCC1CO T161848 [0,1,0,1,0,0|0,1,0]=3 1364 B8R1.2 C1CSCCC1C#N T175435 [0,1,0,1,0,0|1,0,1]=4 1365 B8R1.2 C=CC1CCCCC1 V162939 [0,1,0,1,0,0|2,0,0]=4 1366 B8R1.2 CCC1CCCCC1 E108913 [0,1,0,1,0,0|2,0,0]=4 1367 B8R1.2 CCC1CCCCC1 E108914 [0,1,0,1,0,0|2,0,0]=4 1368 B8R1.2 CCC1CCCCN1 E156420 [0,1,0,1,0,0|2,0,0]=4 1369 B8R1.2 CCC1CCCCN1 S467334 [0,1,0,1,0,0|2,0,0]=4 1370 B8R1.2 CCC1CCNCC1 E169556 [0,1,0,1,0,0|2,0,0]=4 1371 B8R1.2 CCC1COCCN1 R186382 [0,1,0,1,0,0|1,1,0]=4 1372 B8R1.2 CCN1CCCCC1 E110307 [0,1,0,1,0,0|2,0,0]=4 1373 B8R1.2 CNC1CCCCC1 M124516 [0,1,0,1,0,0|2,0,0]=4 1374 B8R1.2 CNC1CCCNC1 M124375 [0,1,0,1,0,0|2,0,0]=4 1375 B8R1.2 COC1CCC=CO1 D189144 [0,1,0,1,0,0|0,1,1]=4 1376 B8R1.2 COC1CCCCC1 M158042 [0,1,0,1,0,0|1,0,0]=3 1377 B8R1.2 COC1CCCCO1 W196195 [0,1,0,1,0,0|0,1,0]=3 1378 B8R1.2 COC1CCNCC1 M176409 [0,1,0,1,0,0|1,1,0]=4 1379 B8R1.2 COC1CCNCC1 M176410 [0,1,0,1,0,0|1,1,0]=4 1380 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [0,1,0,1,0,0|2,0,0]=4 1381 B8R1.5 C1C(C(CSS1)O)O T330725 [0,1,0,1,0,0|1,0,0]=3 1382 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,1,0,0|1,0,1]=4 1383 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,1,0,0|1,0,1]=4 1384 B8R1.5 C1CCC(C(C1)Cl)Cl T161921 [0,1,0,1,0,0|2,0,0]=4 1385 B8R1.5 C1CCC(C(C1)F)Br B152772 [0,1,0,1,0,0|2,0,0]=4 1386 B8R1.5 C1CCC(C(C1)N)N C106462 [0,1,0,1,0,0|2,0,0]=4 1387 B8R1.5 C1CCC(C(C1)N)N C106970 [0,1,0,1,0,0|2,0,0]=4 1388 B8R1.5 C1CCC(C(C1)N)N C153337 [0,1,0,1,0,0|2,0,0]=4 1389 B8R1.5 C1CCC(C(C1)N)N D102251 [0,1,0,1,0,0|2,0,0]=4 1390 B8R1.5 C1CCC(C(C1)N)N D102252 [0,1,0,1,0,0|2,0,0]=4 1391 B8R1.5 C1CCC(C(C1)N)N D299616 [0,1,0,1,0,0|2,0,0]=4 1392 B8R1.5 C1CCC(C(C1)N)N D579480 [0,1,0,1,0,0|2,0,0]=4 1393 B8R1.5 C1CCC(C(C1)N)N P299653 [0,1,0,1,0,0|2,0,0]=4 1394 B8R1.5 C1CCC(C(C1)N)O A135671 [0,1,0,1,0,0|1,0,0]=3 1395 B8R1.5 C1CCC(C(C1)N)O C135782 [0,1,0,1,0,0|1,0,0]=3 1396 B8R1.5 C1CCC(C(C1)N)O I167007 [0,1,0,1,0,0|1,0,0]=3 1397 B8R1.5 C1CCC(C(C1)N)O R195900 [0,1,0,1,0,0|1,0,0]=3 1398 B8R1.5 C1CCC(C(C1)N)O S138163 [0,1,0,1,0,0|1,0,0]=3 1399 B8R1.5 C1CCC(C(C1)N)O S304528 [0,1,0,1,0,0|1,0,0]=3 1400 B8R1.5 C1CCC(C(C1)N)O S587981 [0,1,0,1,0,0|1,0,0]=3 1401 B8R1.5 C1CCC(C(C1)N)O T474337 [0,1,0,1,0,0|1,0,0]=3 1402 B8R1.5 C1CCC(C(C1)O)Cl C133236 [0,1,0,1,0,0|1,0,0]=3 1403 B8R1.5 C1CCC(C(C1)O)F F156603 [0,1,0,1,0,0|1,0,0]=3 1404 B8R1.5 C1CCC(C(C1)O)O C101651 [0,1,0,1,0,0|1,0,0]=3 1405 B8R1.5 C1CCC(C(C1)O)O C101652 [0,1,0,1,0,0|1,0,0]=3 1406 B8R1.5 C1CCC(C(C1)O)O C153336 [0,1,0,1,0,0|1,0,0]=3 1407 B8R1.5 C1CCC(C(C1)O)O C153338 [0,1,0,1,0,0|1,0,0]=3 1408 B8R1.5 C1CCC(C(C1)O)O I171071 [0,1,0,1,0,0|1,0,0]=3 1409 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O124003 [0,1,0,1,0,0|2,0,0]=4 1410 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O425120 [0,1,0,1,0,0|2,0,0]=4 1411 B8R1.5 C1COC(C(O1)O)O D154497 [0,1,0,1,0,0|1,1,0]=4 1412 B8R1.5 C1COCC(C1N)O S587531 [0,1,0,1,0,0|0,1,0]=3 1413 B8R1.5 CC1CCCCC1=O M100791 [0,1,0,1,0,0|1,0,1]=4 1414 B8R1.5 CC1CCCCC1C D155823 [0,1,0,1,0,0|2,0,0]=4 1415 B8R1.5 CC1CCCCC1N M102224 [0,1,0,1,0,0|2,0,0]=4 1416 B8R1.5 CC1CCCCC1O C153331 [0,1,0,1,0,0|1,0,0]=3 1417 B8R1.5 CC1CCCCC1O M157932 [0,1,0,1,0,0|1,0,0]=3 1418 B8R1.5 CC1CNCCN1C R176969 [0,1,0,1,0,0|2,0,0]=4 1419 B8R1.5 CN1CCCCC1=O N335945 [0,1,0,1,0,0|1,0,1]=4 1420 B8R1.8 C1CC(OC1)CC#N T161719 [0,1,0,1,0,0|1,0,1]=4 1421 B8R1.8 C1CCC(C1)CCO C154115 [0,1,0,1,0,0|1,0,0]=3 1422 B8R1.8 C1CCN(C1)CCCl C139223 [0,1,0,1,0,0|2,0,0]=4 1423 B8R1.8 C1CCN(C1)CCN A121650 [0,1,0,1,0,0|2,0,0]=4 1424 B8R1.8 C1CCN(C1)CCN P405662 [0,1,0,1,0,0|2,0,0]=4 1425 B8R1.8 C1CCN(C1)CCO H140439 [0,1,0,1,0,0|1,0,0]=3 1426 B8R1.8 C1COC(O1)CCBr B153144 [0,1,0,1,0,0|2,0,0]=4 1427 B8R1.8 C1COC(O1)CCN A151047 [0,1,0,1,0,0|2,0,0]=4 1428 B8R1.8 C=CCC1CCCC1 A332839 [0,1,0,1,0,0|2,0,0]=4 1429 B8R1.8 CCCC1=NCCO1 P160311 [0,1,0,1,0,0|1,0,1]=4 1430 B8R1.8 CCNC1CCNC1 R160848 [0,1,0,1,0,0|2,0,0]=4 1431 B8R1.8 CNCC1OCCO1 M349963 [0,1,0,1,0,0|1,0,0]=3 1432 B8R1.8 COCC1CCCN1 M121135 [0,1,0,1,0,0|1,1,0]=4 1433 B8R1.8 COCC1CCCN1 M121139 [0,1,0,1,0,0|1,1,0]=4 1434 B8R1.11 CN1CCCC1CO M303525 [0,1,0,1,0,0|1,0,0]=3 1435 B8R1.11 CN1CCCC1CO S303491 [0,1,0,1,0,0|1,0,0]=3 1436 B8R1.22 C1CCC(=O)OCC1 C109521 [0,1,0,1,0,0|1,0,1]=4 1437 B8R1.22 C1CCC(=O)OCC1 C398060 [0,1,0,1,0,0|1,0,1]=4 1438 B8R1.22 C1CCC(=O)OCC1 P299385 [0,1,0,1,0,0|1,0,1]=4 1439 B8R1.22 C1CCC(=O)OCC1 P398622 [0,1,0,1,0,0|1,0,1]=4 1440 B8R1.22 C1CCC(=O)OCC1 P478241 [0,1,0,1,0,0|1,0,1]=4 1441 B8R1.22 C1CCC(=O)OCC1 P485972 [0,1,0,1,0,0|1,0,1]=4 1442 B8R1.22 C1CCC(=O)OCC1 P579406 [0,1,0,1,0,0|1,0,1]=4 1443 B8R1.22 C1CCCC(=O)CC1 C111127 [0,1,0,1,0,0|1,0,1]=4 1444 B8R1.22 C1CCCC(CC1)Br B152451 [0,1,0,1,0,0|2,0,0]=4 1445 B8R1.22 C1CCCC(CC1)Cl C153659 [0,1,0,1,0,0|2,0,0]=4 1446 B8R1.22 C1CCCC(CC1)N C153902 [0,1,0,1,0,0|2,0,0]=4 1447 B8R1.22 C1CCCC(CC1)O C105241 [0,1,0,1,0,0|1,0,0]=3 1448 B8R1.22 C=C1OCCCCO1 M194650 [0,1,0,1,0,0|0,1,1]=4 1449 B8R1.22 CN1CCCNCC1 M138837 [0,1,0,1,0,0|2,0,0]=4 1450 B8R1.36 C#CCOCC1CO1 G133258 [0,1,0,1,0,0|1,0,1]=4 1451 B8R1.36 C=CCOCC1CO1 A106314 [0,1,0,1,0,0|1,0,1]=4 1452 B8R1.36 CCCCCC1CO1 E156381 [0,1,0,1,0,0|1,0,0]=3 1453 B8R1.36 CCCNCC1CC1 N300667 [0,1,0,1,0,0|2,0,0]=4 1454 B8R1.49 C1CCCC=CCC1 C100852 [0,1,0,1,0,0|2,0,0]=4 1455 B8R1.49 C1CCCC=CCC1 C118535 [0,1,0,1,0,0|2,0,0]=4 1456 B8R1.49 C1CCCC=CCC1 C129192 [0,1,0,1,0,0|2,0,0]=4 1457 B8R1.49 C1CCCC=CCC1 C189232 [0,1,0,1,0,0|2,0,0]=4 1458 B8R1.49 C1CCCC=CCC1 C294026 [0,1,0,1,0,0|2,0,0]=4 1459 B8R1.49 C1CCCCCCC1 C153590 [0,1,0,1,0,0|2,0,0]=4 1460 B8R1.49 C1CCCNCCC1 H157012 [0,1,0,1,0,0|2,0,0]=4 1461 B8R1.1 C1C(CNC1CO)O R176579 [0,1,0,1,0,0|2,0,0]=4 1462 B8R1.1 C1C(CNC1CO)O S586151 [0,1,0,1,0,0|2,0,0]=4 1463 B8R1.1 C1CC(=O)NC1CO H103185 [0,1,0,1,0,0|2,0,0]=4 1464 B8R1.1 C1CC(=O)NC1CO H103186 [0,1,0,1,0,0|2,0,0]=4 1465 B8R1.1 CC1CCC(O1)CO T346390 [0,1,0,1,0,0|1,0,0]=3 1466 B8R1.1 CCC1CCC(=O)O1 C111339 [0,1,0,1,0,0|1,0,1]=4 1467 B8R1.1 CN1CCC(C1)CN M173258 [0,1,0,1,0,0|2,0,0]=4 1468 B8R1.1 CN1CCC(C1)CO R172594 [0,1,0,1,0,0|1,0,0]=3 1469 B8R1.3 C1C(OCC(O1)O)O G168832 [0,1,0,1,0,0|1,1,0]=4 1470 B8R1.3 C1C(SCC(S1)O)O D103137 [0,1,0,1,0,0|1,0,0]=3 1471 B8R1.3 C1CC(=O)CCC1O H190648 [0,1,0,1,0,0|1,0,1]=4 1472 B8R1.3 C1CC(=O)NCC1O H191838 [0,1,0,1,0,0|1,0,1]=4 1473 B8R1.3 C1CC(CCC1Cl)Cl T161920 [0,1,0,1,0,0|2,0,0]=4 1474 B8R1.3 C1CC(CCC1N)N C153639 [0,1,0,1,0,0|2,0,0]=4 1475 B8R1.3 C1CC(CCC1N)N C153643 [0,1,0,1,0,0|2,0,0]=4 1476 B8R1.3 C1CC(CCC1N)N C405486 [0,1,0,1,0,0|2,0,0]=4 1477 B8R1.3 C1CC(CCC1N)N T138578 [0,1,0,1,0,0|2,0,0]=4 1478 B8R1.3 C1CC(CCC1N)O A589874 [0,1,0,1,0,0|1,0,0]=3 1479 B8R1.3 C1CC(CCC1N)O A590121 [0,1,0,1,0,0|1,0,0]=3 1480 B8R1.3 C1CC(CCC1N)O C176801 [0,1,0,1,0,0|1,0,0]=3 1481 B8R1.3 C1CC(CCC1N)O C589031 [0,1,0,1,0,0|1,0,0]=3 1482 B8R1.3 C1CC(CCC1N)O T161619 [0,1,0,1,0,0|1,0,0]=3 1483 B8R1.3 C1CC(CCC1N)O T349966 [0,1,0,1,0,0|1,0,0]=3 1484 B8R1.3 C1CC(CCC1O)O C109099 [0,1,0,1,0,0|1,0,0]=3 1485 B8R1.3 CC1CCC(CC1)Br B301345 [0,1,0,1,0,0|2,0,0]=4 1486 B8R1.3 CC1CCC(CC1)C C153597 [0,1,0,1,0,0|2,0,0]=4 1487 B8R1.3 CC1CCC(CC1)C D155234 [0,1,0,1,0,0|2,0,0]=4 1488 B8R1.3 CC1CCC(CC1)C T161837 [0,1,0,1,0,0|2,0,0]=4 1489 B8R1.3 CC1CCC(CC1)N C348902 [0,1,0,1,0,0|2,0,0]=4 1490 B8R1.3 CC1CCC(CC1)N C404679 [0,1,0,1,0,0|2,0,0]=4 1491 B8R1.3 CC1CCC(CC1)N I132581 [0,1,0,1,0,0|2,0,0]=4 1492 B8R1.3 CC1CCC(CC1)N M158849 [0,1,0,1,0,0|2,0,0]=4 1493 B8R1.3 CC1CCC(CC1)N M158850 [0,1,0,1,0,0|2,0,0]=4 1494 B8R1.3 CC1CCC(CC1)O C153285 [0,1,0,1,0,0|1,0,0]=3 1495 B8R1.3 CC1CCC(CC1)O M157776 [0,1,0,1,0,0|1,0,0]=3 1496 B8R1.3 CC1CCC(CC1)O T162592 [0,1,0,1,0,0|1,0,0]=3 1497 B8R1.3 CN1CCC(CC1)Br B194964 [0,1,0,1,0,0|2,0,0]=4 1498 B8R1.3 CN1CCC(CC1)Cl C140163 [0,1,0,1,0,0|2,0,0]=4 1499 B8R1.3 CN1CCC(CC1)Cl N133495 [0,1,0,1,0,0|2,0,0]=4 1500 B8R1.3 CN1CCC(CC1)N A123220 [0,1,0,1,0,0|2,0,0]=4 1501 B8R1.3 CN1CCC(CC1)O H156974 [0,1,0,1,0,0|2,0,0]=4 1502 B8R1.50 CN1C(CCC1=O)O H351403 [0,1,0,1,0,0|1,0,1]=4 1503 B8R1.52 C1CCC(C1)(CO)N A165541 [0,1,0,1,0,0|1,0,0]=3 1504 B8R1.52 CCC1(CCCC1)O E134299 [0,1,0,1,0,0|2,0,0]=4 1505 B8R1.52 CCC1(OCCO1)C E156042 [0,1,0,1,0,0|2,0,0]=4 1506 B8R1.4 C1CC(CC(C1)N)N C153345 [0,1,0,1,0,0|2,0,0]=4 1507 B8R1.4 C1CC(CC(C1)N)N C153347 [0,1,0,1,0,0|2,0,0]=4 1508 B8R1.4 C1CC(CC(C1)O)N A401771 [0,1,0,1,0,0|1,0,0]=3 1509 B8R1.4 C1CC(CC(C1)O)O C113215 [0,1,0,1,0,0|1,0,0]=3 1510 B8R1.4 C1CNC(=O)CC1O H193522 [0,1,0,1,0,0|2,0,0]=4 1511 B8R1.4 CC1=CC(CCC1)O M168575 [0,1,0,1,0,0|1,0,0]=3 1512 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,1,0,0|1,0,1]=4 1513 B8R1.4 CC1CC(CNC1)C D137845 [0,1,0,1,0,0|2,0,0]=4 1514 B8R1.4 CC1CC(CNC1)C R587256 [0,1,0,1,0,0|2,0,0]=4 1515 B8R1.4 CC1CCCC(=O)C1 M117710 [0,1,0,1,0,0|2,0,0]=4 1516 B8R1.4 CC1CCCC(=O)C1 R472235 [0,1,0,1,0,0|2,0,0]=4 1517 B8R1.4 CC1CCCC(=O)O1 D155361 [0,1,0,1,0,0|1,0,1]=4 1518 B8R1.4 CC1CCCC(C1)C C153348 [0,1,0,1,0,0|2,0,0]=4 1519 B8R1.4 CC1CCCC(C1)C D155810 [0,1,0,1,0,0|2,0,0]=4 1520 B8R1.4 CC1CCCC(C1)N M139174 [0,1,0,1,0,0|2,0,0]=4 1521 B8R1.4 CC1CCCC(C1)O M106721 [0,1,0,1,0,0|1,0,0]=3 1522 B8R1.4 CC1CCCC(N1)C C153870 [0,1,0,1,0,0|2,0,0]=4 1523 B8R1.4 CC1CCCC(N1)C D184826 [0,1,0,1,0,0|2,0,0]=4 1524 B8R1.4 CC1CCOC(O1)C D155542 [0,1,0,1,0,0|2,0,0]=4 1525 B8R1.4 CC1CNCC(O1)C C133540 [0,1,0,1,0,0|2,0,0]=4 1526 B8R1.4 CC1CNCC(O1)C D189017 [0,1,0,1,0,0|2,0,0]=4 1527 B8R1.4 CC1CNCC(O1)C D490263 [0,1,0,1,0,0|2,0,0]=4 1528 B8R1.4 CN1CCCC(C1)N M178062 [0,1,0,1,0,0|2,0,0]=4 1529 B8R1.4 CN1CCCC(C1)N R172190 [0,1,0,1,0,0|2,0,0]=4 1530 B8R1.4 CN1CCCC(C1)N S590641 [0,1,0,1,0,0|2,0,0]=4 1531 B8R1.7 B(C1CCCC1)(O)O C171252 [0,1,0,1,0,0|2,0,0]=4 1532 B8R1.7 C1C(NCS1)C(=O)O T137734 [0,1,0,1,0,0|1,0,1]=4 1533 B8R1.7 C1C(NCS1)C(=O)O T303731 [0,1,0,1,0,0|1,0,1]=4 1534 B8R1.7 C1C(NCS1)C(=O)O T424020 [0,1,0,1,0,0|1,0,1]=4 1535 B8R1.7 C1CC(OC1)C(=O)N S469270 [0,1,0,1,0,0|2,0,0]=4 1536 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,1,0,1,0,0|2,0,0]=4 1537 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,1,0,1,0,0|2,0,0]=4 1538 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,1,0,1,0,0|2,0,0]=4 1539 B8R1.7 C1CCC(C1)C(=O)O C104489 [0,1,0,1,0,0|1,0,1]=4 1540 B8R1.7 C1CNCC1C(=O)O P176886 [0,1,0,1,0,0|1,0,1]=4 1541 B8R1.7 C1CNCC1C(=O)O P196048 [0,1,0,1,0,0|1,0,1]=4 1542 B8R1.7 C1CNCC1C(=O)O S134732 [0,1,0,1,0,0|1,0,1]=4 1543 B8R1.7 C1CNCC1C(=O)O S137345 [0,1,0,1,0,0|1,0,1]=4 1544 B8R1.7 C1COCC1C(=O)O R194491 [0,1,0,1,0,0|0,1,1]=4 1545 B8R1.7 C1COCC1C(=O)O T135700 [0,1,0,1,0,0|0,1,1]=4 1546 B8R1.7 CC(=O)C1CCCC1 C194132 [0,1,0,1,0,0|2,0,0]=4 1547 B8R1.7 CC(C1CCCC1)O C349965 [0,1,0,1,0,0|1,0,0]=3 1548 B8R1.35 CC(C)OCC1CO1 G156843 [0,1,0,1,0,0|2,0,0]=4 1549 B8R1.72 C1CC(CNC1)(F)F W136180 [0,1,0,1,0,0|2,0,0]=4 1550 B8R1.72 C1CCC(CC1)(F)F D404374 [0,1,0,1,0,0|2,0,0]=4 1551 B8R1.72 C1CCS(=O)(=O)OC1 B152091 [0,1,0,1,0,0|1,0,1]=4 1552 B8R1.72 CC1(CCCCC1)O M102063 [0,1,0,1,0,0|1,0,0]=3 1553 B8R1.72 CC1(CCCNC1)O M176551 [0,1,0,1,0,0|1,0,0]=3 1554 B8R1.72 CC1(CCCNC1)O M492417 [0,1,0,1,0,0|1,0,0]=3 1555 B8R1.72 CC1(CCNCC1)O M176376 [0,1,0,1,0,0|2,0,0]=4 1556 B8R1.72 C[N+]1(CCCCC1)C M114650 [0,1,0,1,0,0|2,0,0]=4 1557 B8R1.72 C[N+]1(CCCCC1)C M118597 [0,1,0,1,0,0|2,0,0]=4 1558 B8R1.66 C1C(CO1)(CCO)N A174483 [0,1,0,1,0,0|0,1,0]=3 1559 B8R2.11 C1C2C(C2N)CO1 O304413 [0,0,0,2,0,0|1,1,0]=4 1560 B8R2.34 C1C2CNC1CO2 R176907 [0,0,0,2,0,0|2,0,0]=4 1561 B8R2.34 C1CC2CC1CN2 A483103 [0,0,0,2,0,0|2,0,0]=4 1562 B8R2.34 C1CC2CCC1C2 N159203 [0,0,0,2,0,0|2,0,0]=4 1563 B8R2.34 C1CC2CCC1N2 A175977 [0,0,0,2,0,0|2,0,0]=4 1564 B8R2.2 CC12CCCC1O2 M299636 [0,0,0,2,0,0|1,0,0]=3 1565 B8R2.25 C1CCC2C(C1)O2 C113792 [0,0,0,2,0,0|1,0,0]=3 1566 B8R2.25 C1CCC2C(C1)S2 C347814 [0,0,0,2,0,0|1,0,0]=3 1567 B8R2.25 C1COC2CC2N1 O587064 [0,0,0,2,0,0|2,0,0]=4