0 B6R0.6 C#CCCCCO H107735 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 C#CCOCCO P189135 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C(CBr)NCCBr B184524 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C(CBr)OCCBr B122644 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C(CCBr)CCBr D106538 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 C(CCCl)CCBr B109691 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C(CCCl)CCCl D105687 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C(CCF)CCBr B303673 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C(CCI)CCI D155300 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C(CCN)CCN D111805 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 C(CCN)CCN D121817 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 C(CCN)CCN D283638 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.6 C(CCN)CCN D421724 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 C(CCN)CCO A107210 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.6 C(CCN)CCO A565375 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.6 C(CCO)CCBr B135090 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.6 C(CCO)CCCl C153897 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.6 C(CCO)CCO P105588 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.6 C(CCS)CCS P102332 [0,0,0,0,0,0|1,1,2]=4 19 B6R0.6 C(CCl)NCCCl B109734 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C(CCl)OCCCl C107457 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 C(CNCCN)N D100056 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.6 C(CNCCN)N D100058 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 C(CNCCN)N D100059 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 C(CNCCN)N D301794 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.6 C(CNCCO)N H100512 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 C(CNCCO)N H100513 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.6 C(CO)NCCCl C588449 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.6 C(CO)NCCO D112357 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.6 C(CO)NCCO D112358 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.6 C(CO)NCCO D112360 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.6 C(CO)NCCO D112361 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.6 C(CO)NCCO D155708 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 C(CO)NCCO D301793 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.6 C(COCCBr)O B339979 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.6 C(COCCCl)O C118686 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.6 C(COCCI)O I586943 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.6 C(COCCN)N O159975 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 C(COCCN)N O160013 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 C(COCCO)N A109910 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.6 C(COCCO)N A301832 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.6 C(COCCO)O D110831 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.6 C(COCCO)O D110832 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.6 C(COCCO)O D110833 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.6 C(COCCO)O D110834 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.6 C(COCCO)O D476199 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.6 C(CS)OCCS B152747 [0,0,0,0,0,0|2,1,1]=4 47 B6R0.6 C(CSCCS)S B152744 [0,0,0,0,0,0|2,1,1]=4 48 B6R0.6 C=CCCCCO H113637 [0,0,0,0,0,0|0,0,4]=4 49 B6R0.6 C=CCOCCO A303300 [0,0,0,0,0,0|1,0,3]=4 50 B6R0.6 C=CCOCCO A303301 [0,0,0,0,0,0|1,0,3]=4 51 B6R0.6 C=CCOCCO E156080 [0,0,0,0,0,0|1,0,3]=4 52 B6R0.6 CC=CC=CC=O H156882 [0,0,0,0,0,0|0,0,4]=4 53 B6R0.6 CC=CC=CCO I167855 [0,0,0,0,0,0|0,0,2]=2 54 B6R0.6 CC=CC=CCO T470463 [0,0,0,0,0,0|0,0,2]=2 55 B6R0.6 CC=CCCCO H300983 [0,0,0,0,0,0|0,0,4]=4 56 B6R0.6 CCC#CCCO H157360 [0,0,0,0,0,0|0,0,3]=3 57 B6R0.6 CCC=CCCO C426965 [0,0,0,0,0,0|0,0,2]=2 58 B6R0.6 CCC=CCCO H112690 [0,0,0,0,0,0|0,0,2]=2 59 B6R0.6 CCC=CCCO L106205 [0,0,0,0,0,0|0,0,2]=2 60 B6R0.6 CCCC#CCO H157375 [0,0,0,0,0,0|0,0,2]=2 61 B6R0.6 CCCC=CC=O H107633 [0,0,0,0,0,0|0,0,2]=2 62 B6R0.6 CCCC=CC=O T425385 [0,0,0,0,0,0|0,0,2]=2 63 B6R0.6 CCCC=CCO C153482 [0,0,0,0,0,0|0,0,0]=0 64 B6R0.6 CCCC=CCO H102077 [0,0,0,0,0,0|0,0,0]=0 65 B6R0.6 CCCCCC#C H100842 [0,0,0,0,0,0|1,0,3]=4 66 B6R0.6 CCCCCC#N H157040 [0,0,0,0,0,0|1,0,3]=4 67 B6R0.6 CCCCCC=C H110653 [0,0,0,0,0,0|1,0,3]=4 68 B6R0.6 CCCCCC=C H110654 [0,0,0,0,0,0|1,0,3]=4 69 B6R0.6 CCCCCC=C H110655 [0,0,0,0,0,0|1,0,3]=4 70 B6R0.6 CCCCCC=O C109199 [0,0,0,0,0,0|0,0,4]=4 71 B6R0.6 CCCCCC=O C109200 [0,0,0,0,0,0|0,0,4]=4 72 B6R0.6 CCCCCCBr B105244 [0,0,0,0,0,0|1,0,2]=3 73 B6R0.6 CCCCCCBr B471923 [0,0,0,0,0,0|1,0,2]=3 74 B6R0.6 CCCCCCC H108102 [0,0,0,0,0,0|1,0,2]=3 75 B6R0.6 CCCCCCC H108103 [0,0,0,0,0,0|1,0,2]=3 76 B6R0.6 CCCCCCC H108105 [0,0,0,0,0,0|1,0,2]=3 77 B6R0.6 CCCCCCC H108108 [0,0,0,0,0,0|1,0,2]=3 78 B6R0.6 CCCCCCC H108111 [0,0,0,0,0,0|1,0,2]=3 79 B6R0.6 CCCCCCC H108112 [0,0,0,0,0,0|1,0,2]=3 80 B6R0.6 CCCCCCC H118382 [0,0,0,0,0,0|1,0,2]=3 81 B6R0.6 CCCCCCC H119701 [0,0,0,0,0,0|1,0,2]=3 82 B6R0.6 CCCCCCCl C109280 [0,0,0,0,0,0|1,0,2]=3 83 B6R0.6 CCCCCCCl C109281 [0,0,0,0,0,0|1,0,2]=3 84 B6R0.6 CCCCCCI I157578 [0,0,0,0,0,0|1,0,2]=3 85 B6R0.6 CCCCCCN H105333 [0,0,0,0,0,0|1,0,2]=3 86 B6R0.6 CCCCCCN H157035 [0,0,0,0,0,0|1,0,2]=3 87 B6R0.6 CCCCCCN H292813 [0,0,0,0,0,0|1,0,2]=3 88 B6R0.6 CCCCCCN H491868 [0,0,0,0,0,0|1,0,2]=3 89 B6R0.6 CCCCCCO H103420 [0,0,0,0,0,0|0,0,2]=2 90 B6R0.6 CCCCCCO H103421 [0,0,0,0,0,0|0,0,2]=2 91 B6R0.6 CCCCCCO H103422 [0,0,0,0,0,0|0,0,2]=2 92 B6R0.6 CCCCCCO H103423 [0,0,0,0,0,0|0,0,2]=2 93 B6R0.6 CCCCCCO H119678 [0,0,0,0,0,0|0,0,2]=2 94 B6R0.6 CCCCCCS H100786 [0,0,0,0,0,0|0,1,2]=3 95 B6R0.6 CCCCCCS H299109 [0,0,0,0,0,0|0,1,2]=3 96 B6R0.6 CCCCCC[NH3+] H292817 [0,0,0,0,0,0|1,0,2]=3 97 B6R0.6 CCCCCC[NH3+] H492547 [0,0,0,0,0,0|1,0,2]=3 98 B6R0.6 CCCCCC[Si] H357381 [0,0,0,0,0,0|1,0,2]=3 99 B6R0.6 CCCCCNC M124210 [0,0,0,0,0,0|2,0,2]=4 100 B6R0.6 CCCCCSC A151354 [0,0,0,0,0,0|2,0,2]=4 101 B6R0.6 CCCCN=C=S B111865 [0,0,0,0,0,0|1,1,2]=4 102 B6R0.6 CCCCNCC N158928 [0,0,0,0,0,0|2,0,1]=3 103 B6R0.6 CCCCOC=C B123186 [0,0,0,0,0,0|2,0,2]=4 104 B6R0.6 CCCCOC=C B123187 [0,0,0,0,0,0|2,0,2]=4 105 B6R0.6 CCCCOC=O B109260 [0,0,0,0,0,0|1,0,3]=4 106 B6R0.6 CCCCOC=O B109261 [0,0,0,0,0,0|1,0,3]=4 107 B6R0.6 CCCCON=O B134686 [0,0,0,0,0,0|2,0,2]=4 108 B6R0.6 CCCCSCC B152507 [0,0,0,0,0,0|2,0,1]=3 109 B6R0.6 CCCNCCC D100329 [0,0,0,0,0,0|2,0,1]=3 110 B6R0.6 CCCNCCC D100330 [0,0,0,0,0,0|2,0,1]=3 111 B6R0.6 CCCNCCC D154684 [0,0,0,0,0,0|2,0,1]=3 112 B6R0.6 CCCNCCC D404364 [0,0,0,0,0,0|2,0,1]=3 113 B6R0.6 CCCNCCN N336391 [0,0,0,0,0,0|2,0,1]=3 114 B6R0.6 CCCOCCC P160596 [0,0,0,0,0,0|2,0,1]=3 115 B6R0.6 CCCOCCCl C137234 [0,0,0,0,0,0|2,0,1]=3 116 B6R0.6 CCCOCCN P160362 [0,0,0,0,0,0|2,0,1]=3 117 B6R0.6 CCCOCCO P107659 [0,0,0,0,0,0|1,0,1]=2 118 B6R0.6 CCCOCCO P299319 [0,0,0,0,0,0|1,0,1]=2 119 B6R0.6 CCCSCC=C A135608 [0,0,0,0,0,0|2,0,2]=4 120 B6R0.6 CCCSCCC D102909 [0,0,0,0,0,0|2,0,1]=3 121 B6R0.6 CCNCCCO E300231 [0,0,0,0,0,0|1,0,2]=3 122 B6R0.6 CCOC=CC#N E156406 [0,0,0,0,0,0|2,0,1]=3 123 B6R0.6 CCOCCCN E156297 [0,0,0,0,0,0|2,0,2]=4 124 B6R0.6 CCOCCCO E108059 [0,0,0,0,0,0|1,0,2]=3 125 B6R0.6 CCOCCOC E331012 [0,0,0,0,0,0|3,0,1]=4 126 B6R0.6 CCOCOCC D109106 [0,0,0,0,0,0|3,0,1]=4 127 B6R0.6 CCOCOCC D139939 [0,0,0,0,0,0|3,0,1]=4 128 B6R0.6 CCO[Sn]OCC T282972 [0,0,0,0,0,0|4,0,0]=4 129 B6R0.6 CCSCCCO E300079 [0,0,0,0,0,0|1,0,2]=3 130 B6R0.6 CCSSSCC D405733 [0,0,0,0,0,0|4,0,0]=4 131 B6R0.6 CNCCCCO M193351 [0,0,0,0,0,0|1,0,2]=3 132 B6R0.6 COCCCCBr B152834 [0,0,0,0,0,0|2,0,2]=4 133 B6R0.6 COCCCCO B152046 [0,0,0,0,0,0|1,0,2]=3 134 B6R0.6 COCCOCCl M113466 [0,0,0,0,0,0|3,0,1]=4 135 B6R0.6 COCOCCBr B165961 [0,0,0,0,0,0|3,0,1]=4 136 B6R0.6 CSCCCCO M468928 [0,0,0,0,0,0|1,0,2]=3 137 B5R0.2 C#CCCCO P106295 [1,0,0,0,0,0|0,0,3]=4 138 B5R0.2 C(=NO)C=NO G340799 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.2 C(C#CCCl)O C166985 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.2 C(C#CCO)O B103672 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.2 C(C#CCO)O B103673 [1,0,0,0,0,0|1,0,2]=4 142 B5R0.2 C(C#CCO)O B103675 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.2 C(C=CCBr)Br T121197 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.2 C(C=CCCl)Cl C141162 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.2 C(C=CCCl)Cl D102461 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.2 C(C=CCCl)Cl D102462 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.2 C(C=CCCl)Cl D155430 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.2 C(C=CCO)O B107560 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.2 C(C=CCO)O B111227 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.2 C(C=CCO)O T162684 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.2 C(CCBr)CBr D105749 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.2 C(CCBr)CCl B109690 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.2 C(CCBr)CF B122542 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.2 C(CCBr)CN B163034 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 C(CCBr)CO B136242 [1,0,0,0,0,0|1,0,1]=3 156 B5R0.2 C(CCCl)CCl D103409 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.2 C(CCCl)CO C118833 [1,0,0,0,0,0|1,0,1]=3 158 B5R0.2 C(CCI)CCl C153542 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.2 C(CCI)CI D155304 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.2 C(CCN)CN B292804 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.2 C(CCN)CN B304967 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.2 C(CCN)CN B492953 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.2 C(CCN)CN D106194 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.2 C(CCN)CN D423441 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.2 C(CCN)CN D472054 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.2 C(CCO)CN A109739 [1,0,0,0,0,0|1,0,1]=3 167 B5R0.2 C(CCO)CO B110391 [1,0,0,0,0,0|1,0,1]=3 168 B5R0.2 C(CCO)CO B110394 [1,0,0,0,0,0|1,0,1]=3 169 B5R0.2 C(CCO)CO B110395 [1,0,0,0,0,0|1,0,1]=3 170 B5R0.2 C(CCS)CO M338696 [1,0,0,0,0,0|1,0,1]=3 171 B5R0.2 C(CCS)CS B152757 [1,0,0,0,0,0|1,1,1]=4 172 B5R0.2 C(CCS)CS B419814 [1,0,0,0,0,0|1,1,1]=4 173 B5R0.2 C(CCl)OCCl C140412 [1,0,0,0,0,0|3,0,0]=4 174 B5R0.2 C=CCCCBr B107734 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.2 C=CCCCO P103073 [1,0,0,0,0,0|0,0,3]=4 176 B5R0.2 C=COCCO E135293 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.2 CC#CCCO P160656 [1,0,0,0,0,0|0,0,3]=4 178 B5R0.2 CC=CC=CC H113628 [1,0,0,0,0,0|0,0,2]=3 179 B5R0.2 CC=CCC#N P338284 [1,0,0,0,0,0|1,0,1]=3 180 B5R0.2 CC=CCC=C H157263 [1,0,0,0,0,0|0,0,2]=3 181 B5R0.2 CC=CCC=C T162375 [1,0,0,0,0,0|0,0,2]=3 182 B5R0.2 CCC#CCBr B136107 [1,0,0,0,0,0|1,0,2]=4 183 B5R0.2 CCC#CCC H157357 [1,0,0,0,0,0|0,0,3]=4 184 B5R0.2 CCC#CCO P160655 [1,0,0,0,0,0|0,0,2]=3 185 B5R0.2 CCC=CC#N P160478 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.2 CCC=CC=O T161487 [1,0,0,0,0,0|0,0,2]=3 187 B5R0.2 CCC=CCC C153487 [1,0,0,0,0,0|1,0,0]=2 188 B5R0.2 CCC=CCC H157267 [1,0,0,0,0,0|1,0,0]=2 189 B5R0.2 CCC=CCC T162372 [1,0,0,0,0,0|1,0,0]=2 190 B5R0.2 CCC=CCO C153493 [1,0,0,0,0,0|0,0,0]=1 191 B5R0.2 CCC=CCO T299958 [1,0,0,0,0,0|0,0,0]=1 192 B5R0.2 CCCC#CC H157356 [1,0,0,0,0,0|0,0,2]=3 193 B5R0.2 CCCC=CC C153486 [1,0,0,0,0,0|0,0,0]=1 194 B5R0.2 CCCC=CC H157262 [1,0,0,0,0,0|0,0,0]=1 195 B5R0.2 CCCC=CC T162371 [1,0,0,0,0,0|0,0,0]=1 196 B5R0.2 CCCC=NO B152406 [1,0,0,0,0,0|1,0,0]=2 197 B5R0.2 CCCCC#C H106703 [1,0,0,0,0,0|0,0,3]=4 198 B5R0.2 CCCCC#N B100431 [1,0,0,0,0,0|1,0,2]=4 199 B5R0.2 CCCCC#N B100432 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.2 CCCCC=C H109530 [1,0,0,0,0,0|0,0,2]=3 201 B5R0.2 CCCCC=C H109531 [1,0,0,0,0,0|0,0,2]=3 202 B5R0.2 CCCCC=C H109532 [1,0,0,0,0,0|0,0,2]=3 203 B5R0.2 CCCCC=C H109533 [1,0,0,0,0,0|0,0,2]=3 204 B5R0.2 CCCCC=O V103717 [1,0,0,0,0,0|0,0,2]=3 205 B5R0.2 CCCCCBr B104782 [1,0,0,0,0,0|1,0,1]=3 206 B5R0.2 CCCCCBr B305762 [1,0,0,0,0,0|1,0,1]=3 207 B5R0.2 CCCCCC H100107 [1,0,0,0,0,0|0,0,2]=3 208 B5R0.2 CCCCCC H109653 [1,0,0,0,0,0|0,0,2]=3 209 B5R0.2 CCCCCC H109654 [1,0,0,0,0,0|0,0,2]=3 210 B5R0.2 CCCCCC H109656 [1,0,0,0,0,0|0,0,2]=3 211 B5R0.2 CCCCCC H109659 [1,0,0,0,0,0|0,0,2]=3 212 B5R0.2 CCCCCC H119662 [1,0,0,0,0,0|0,0,2]=3 213 B5R0.2 CCCCCC H121283 [1,0,0,0,0,0|0,0,2]=3 214 B5R0.2 CCCCCC H140380 [1,0,0,0,0,0|0,0,2]=3 215 B5R0.2 CCCCCC H298923 [1,0,0,0,0,0|0,0,2]=3 216 B5R0.2 CCCCCC N431441 [1,0,0,0,0,0|0,0,2]=3 217 B5R0.2 CCCCCCl C109473 [1,0,0,0,0,0|1,0,1]=3 218 B5R0.2 CCCCCCl C109474 [1,0,0,0,0,0|1,0,1]=3 219 B5R0.2 CCCCCF F171115 [1,0,0,0,0,0|1,0,1]=3 220 B5R0.2 CCCCCI I104798 [1,0,0,0,0,0|1,0,1]=3 221 B5R0.2 CCCCCN A105343 [1,0,0,0,0,0|1,0,1]=3 222 B5R0.2 CCCCCN P292685 [1,0,0,0,0,0|1,0,1]=3 223 B5R0.2 CCCCCN P292697 [1,0,0,0,0,0|1,0,1]=3 224 B5R0.2 CCCCCN P292701 [1,0,0,0,0,0|1,0,1]=3 225 B5R0.2 CCCCCN P494144 [1,0,0,0,0,0|1,0,1]=3 226 B5R0.2 CCCCCO N350217 [1,0,0,0,0,0|0,0,1]=2 227 B5R0.2 CCCCCO P108125 [1,0,0,0,0,0|0,0,1]=2 228 B5R0.2 CCCCCO P108126 [1,0,0,0,0,0|0,0,1]=2 229 B5R0.2 CCCCCO P108127 [1,0,0,0,0,0|0,0,1]=2 230 B5R0.2 CCCCCO P108128 [1,0,0,0,0,0|0,0,1]=2 231 B5R0.2 CCCCCO P108129 [1,0,0,0,0,0|0,0,1]=2 232 B5R0.2 CCCCCO P108130 [1,0,0,0,0,0|0,0,1]=2 233 B5R0.2 CCCCCS A100028 [1,0,0,0,0,0|0,1,1]=3 234 B5R0.2 CCCCOC B152821 [1,0,0,0,0,0|1,0,1]=3 235 B5R0.2 CCCCON O184596 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.2 CCCCSC B152508 [1,0,0,0,0,0|1,0,1]=3 237 B5R0.2 CCCC[Sn]Cl B302420 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.2 CCCN=C=S P140610 [1,0,0,0,0,0|1,1,1]=4 239 B5R0.2 CCCNCC N159096 [1,0,0,0,0,0|1,0,1]=3 240 B5R0.2 CCCOC=C P137362 [1,0,0,0,0,0|1,0,1]=3 241 B5R0.2 CCCOC=O P160055 [1,0,0,0,0,0|1,0,1]=3 242 B5R0.2 CCCOCC E156162 [1,0,0,0,0,0|1,0,1]=3 243 B5R0.2 CCCSCC E134963 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.2 CCCSSC M103114 [1,0,0,0,0,0|2,0,0]=3 245 B5R0.2 CCNCCN N138023 [1,0,0,0,0,0|2,0,1]=4 246 B5R0.2 CCNCCO E156112 [1,0,0,0,0,0|1,0,1]=3 247 B5R0.2 CCNCCO E301665 [1,0,0,0,0,0|1,0,1]=3 248 B5R0.2 CCNNCC D487275 [1,0,0,0,0,0|2,0,1]=4 249 B5R0.2 CCOC=CC E122346 [1,0,0,0,0,0|1,0,0]=2 250 B5R0.2 CCOCC=C A151091 [1,0,0,0,0,0|1,0,2]=4 251 B5R0.2 CCOCCBr B152837 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.2 CCOCCCl C153264 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.2 CCOCCN E156296 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.2 CCOCCO E110821 [1,0,0,0,0,0|1,0,1]=3 255 B5R0.2 CCOCCO E110822 [1,0,0,0,0,0|1,0,1]=3 256 B5R0.2 CCOCCO E118463 [1,0,0,0,0,0|1,0,1]=3 257 B5R0.2 CCSCCCl C102885 [1,0,0,0,0,0|2,0,1]=4 258 B5R0.2 CCSCCN E170901 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.2 CCSCCN E300178 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.2 CCSCCO E156428 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.2 CCSSCC D140646 [1,0,0,0,0,0|2,0,1]=4 262 B5R0.2 CC[Se][Se]CC D155798 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.2 CNCCCN N104493 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.2 CNCCCO M133702 [1,0,0,0,0,0|1,0,1]=3 265 B5R0.2 CNCCNC D106275 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.2 CNCCOC N159090 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.2 COCCCBr B136284 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.2 COCCCCl C108061 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.2 COCCCN M134485 [1,0,0,0,0,0|2,0,1]=4 270 B5R0.2 COCCCN M587821 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.2 COCCCO M107732 [1,0,0,0,0,0|1,0,1]=3 272 B5R0.2 COCCOC D299631 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.2 COCCOC E104387 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.2 COCCOC E104388 [1,0,0,0,0,0|2,0,1]=4 275 B5R0.2 COCCOC E104391 [1,0,0,0,0,0|2,0,1]=4 276 B5R0.2 COCCOC E119676 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.2 COCCOC I282413 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.2 COCCOC P107530 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.2 COCCOC P432396 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.2 COCCOC P432397 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.2 COCCOC P432398 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.2 CSCCC=O M109548 [1,0,0,0,0,0|1,0,2]=4 283 B5R0.2 CSCCCN M158420 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.2 CSCCCO M102967 [1,0,0,0,0,0|1,0,1]=3 285 B5R0.2 ClCCOC=C V141139 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.2 OCCCCO P487355 [1,0,0,0,0,0|1,0,1]=3 287 B7R0.1 C#CCCCCCO H135241 [0,1,0,0,0,0|0,0,3]=4 288 B7R0.1 C(C=CCC#N)C#N H157041 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.1 C(CCCBr)CCBr D106541 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.1 C(CCCBr)CCCl B111196 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.1 C(CCCBr)CCF B405383 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.1 C(CCCBr)CCO B138834 [0,1,0,0,0,0|0,0,2]=3 293 B7R0.1 C(CCCBr)CCO S304692 [0,1,0,0,0,0|0,0,2]=3 294 B7R0.1 C(CCCCl)CCCl D110131 [0,1,0,0,0,0|1,0,2]=4 295 B7R0.1 C(CCCCl)CCO C109454 [0,1,0,0,0,0|0,0,2]=3 296 B7R0.1 C(CCCI)CCCl C153665 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.1 C(CCCI)CCI D119377 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.1 C(CCCN)CCN D134228 [0,1,0,0,0,0|1,0,2]=4 299 B7R0.1 C(CCCN)CCN H103908 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.1 C(CCCN)CCN H103909 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.1 C(CCCN)CCN H103910 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.1 C(CCCO)CCN A101232 [0,1,0,0,0,0|0,0,2]=3 303 B7R0.1 C(CCCO)CCO H103707 [0,1,0,0,0,0|0,0,2]=3 304 B7R0.1 C(CCCO)CCO H103708 [0,1,0,0,0,0|0,0,2]=3 305 B7R0.1 C(CCCS)CCN A487010 [0,1,0,0,0,0|0,1,2]=4 306 B7R0.1 C(CCCS)CCO M123042 [0,1,0,0,0,0|0,0,2]=3 307 B7R0.1 C(CCCS)CCO M299208 [0,1,0,0,0,0|0,0,2]=3 308 B7R0.1 C(CCCS)CCS H106695 [0,1,0,0,0,0|0,1,2]=4 309 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [0,1,0,0,0,0|1,0,2]=4 310 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.1 C(CN)CNCCO N184580 [0,1,0,0,0,0|1,0,1]=3 313 B7R0.1 C(CN)CNCCS A134805 [0,1,0,0,0,0|1,1,1]=4 314 B7R0.1 C(CNCCN)CO N159094 [0,1,0,0,0,0|1,0,2]=4 315 B7R0.1 C(CO)C=CCCO H341806 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.1 C(CSSCCO)O B152479 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.1 C(CSSCCO)O B298701 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.1 C(CSSCCO)O B598951 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.1 C=CCCCCCO H156869 [0,1,0,0,0,0|0,0,3]=4 320 B7R0.1 CCC=CC=CC=O H102914 [0,1,0,0,0,0|0,0,3]=4 321 B7R0.1 CCC=CCCC=O C154040 [0,1,0,0,0,0|1,0,1]=3 322 B7R0.1 CCC=CCCCO C153484 [0,1,0,0,0,0|1,0,0]=2 323 B7R0.1 CCCC#CCCC O106927 [0,1,0,0,0,0|1,0,2]=4 324 B7R0.1 CCCC#CCCO H157374 [0,1,0,0,0,0|0,0,2]=3 325 B7R0.1 CCCC=CCCC C153585 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.1 CCCC=CCCC T161815 [0,1,0,0,0,0|1,0,0]=2 327 B7R0.1 CCCC=CCCO C332847 [0,1,0,0,0,0|0,0,0]=1 328 B7R0.1 CCCCC=CC=O T161484 [0,1,0,0,0,0|0,0,2]=3 329 B7R0.1 CCCCC=CCC C153584 [0,1,0,0,0,0|1,0,0]=2 330 B7R0.1 CCCCC=CCC T161817 [0,1,0,0,0,0|1,0,0]=2 331 B7R0.1 CCCCC=CCO T161435 [0,1,0,0,0,0|0,0,0]=1 332 B7R0.1 CCCCCC=CC C153583 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.1 CCCCCC=CC O159996 [0,1,0,0,0,0|1,0,2]=4 334 B7R0.1 CCCCCC=CC T161814 [0,1,0,0,0,0|1,0,2]=4 335 B7R0.1 CCCCCCC#C O109633 [0,1,0,0,0,0|1,0,2]=4 336 B7R0.1 CCCCCCC#N H156965 [0,1,0,0,0,0|1,0,2]=4 337 B7R0.1 CCCCCCC=C O108659 [0,1,0,0,0,0|1,0,2]=4 338 B7R0.1 CCCCCCC=C O108660 [0,1,0,0,0,0|1,0,2]=4 339 B7R0.1 CCCCCCC=O H105934 [0,1,0,0,0,0|0,0,3]=4 340 B7R0.1 CCCCCCC=O H105935 [0,1,0,0,0,0|0,0,3]=4 341 B7R0.1 CCCCCCCBr B109258 [0,1,0,0,0,0|1,0,2]=4 342 B7R0.1 CCCCCCCC O100577 [0,1,0,0,0,0|1,0,2]=4 343 B7R0.1 CCCCCCCC O100578 [0,1,0,0,0,0|1,0,2]=4 344 B7R0.1 CCCCCCCC O100580 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.1 CCCCCCCC O100581 [0,1,0,0,0,0|1,0,2]=4 346 B7R0.1 CCCCCCCC O119714 [0,1,0,0,0,0|1,0,2]=4 347 B7R0.1 CCCCCCCCl C153657 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.1 CCCCCCCI I157581 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.1 CCCCCCCN H113175 [0,1,0,0,0,0|1,0,2]=4 350 B7R0.1 CCCCCCCO H108210 [0,1,0,0,0,0|0,0,2]=3 351 B7R0.1 CCCCCCCO H108211 [0,1,0,0,0,0|0,0,2]=3 352 B7R0.1 CCCCCCCO H108212 [0,1,0,0,0,0|0,0,2]=3 353 B7R0.1 CCCCCCCS H102322 [0,1,0,0,0,0|0,1,2]=4 354 B7R0.1 CCCCCCNC N341547 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.1 CCCCCCOC H157292 [0,1,0,0,0,0|0,0,2]=3 356 B7R0.1 CCCCNCCN N159361 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.1 CCCCNCCO B140397 [0,1,0,0,0,0|0,0,2]=3 358 B7R0.1 CCCCNCCO B299088 [0,1,0,0,0,0|0,0,2]=3 359 B7R0.1 CCCCNCCS B469395 [0,1,0,0,0,0|0,1,2]=4 360 B7R0.1 CCCCOCC=C A151096 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.1 CCCCOCCCl B152831 [0,1,0,0,0,0|1,0,2]=4 362 B7R0.1 CCCCOCCN B357161 [0,1,0,0,0,0|1,0,2]=4 363 B7R0.1 CCCCOCCO E110823 [0,1,0,0,0,0|0,0,2]=3 364 B7R0.1 CCCCOCCO E110827 [0,1,0,0,0,0|0,0,2]=3 365 B7R0.1 CCCNCCCN I168897 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.1 CCCNCCOC N158962 [0,1,0,0,0,0|1,0,1]=3 367 B7R0.1 CCCSSCC=C A103096 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.1 CCCSSCCC D102910 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.1 CCNCCNCC N159359 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.1 CCOCCOCC E103986 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.1 CCOCCOCC E103987 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.1 CCOCCOCC E103989 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.1 COCC#CCOC D155770 [0,1,0,0,0,0|1,0,2]=4 374 B7R0.1 COCCOCCBr B152835 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.1 COCCOCCI I586239 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.1 COCCOCCN M122033 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.1 COCCOCCO D104406 [0,1,0,0,0,0|1,0,1]=3 378 B7R0.1 COCCOCCO D104407 [0,1,0,0,0,0|1,0,1]=3 379 B7R0.1 COCCOCCO D104408 [0,1,0,0,0,0|1,0,1]=3 380 B7R0.3 C(CC(CO)O)CO P160114 [0,1,0,0,0,0|1,0,2]=4 381 B7R0.3 CCC(=O)NCCO N158966 [0,1,0,0,0,0|1,0,2]=4 382 B7R0.3 CCC(C=CC=O)O E347259 [0,1,0,0,0,0|0,0,2]=3 383 B7R0.3 CCCCC(=C)CC E156236 [0,1,0,0,0,0|1,0,1]=3 384 B7R0.3 CCCCC(=O)CC H103766 [0,1,0,0,0,0|1,0,1]=3 385 B7R0.3 CCCCC(=O)NN P135113 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.3 CCCCC(=O)OC M108213 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.3 CCCCC(=O)OC M108214 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.3 CCCCC(C)CC M113650 [0,1,0,0,0,0|1,0,2]=4 389 B7R0.3 CCCCC(CC)Br B152441 [0,1,0,0,0,0|1,0,2]=4 390 B7R0.3 CCCCC(CC)O H156872 [0,1,0,0,0,0|1,0,2]=4 391 B7R0.3 CCCCC(CO)N R349958 [0,1,0,0,0,0|0,0,2]=3 392 B7R0.3 CCCCC(CO)O H108067 [0,1,0,0,0,0|0,0,2]=3 393 B7R0.3 CCCNC(=O)C=C N404954 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.3 CCCNC(C)CC N158968 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.3 CCCOC(=O)CC P111531 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.3 CCCOC(=O)CC P111532 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.3 CCOCC(CO)O E305267 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.3 COC(=O)C=CCBr M137638 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.3 COC(=O)C=CCBr M158855 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.3 COCOC(=C)CCl C153297 [0,1,0,0,0,0|3,0,0]=4 401 B7R0.3 CSCCC(CO)N D339853 [0,1,0,0,0,0|1,0,2]=4 402 B7R0.3 CSCCC(CO)N M117138 [0,1,0,0,0,0|1,0,2]=4 403 B7R0.3 CSCCC(CO)N S167794 [0,1,0,0,0,0|1,0,2]=4 404 B7R0.4 B(CCCCC)(O)O N193507 [0,1,0,0,0,0|1,0,2]=4 405 B7R0.4 CC(C)COCCO E156429 [0,1,0,0,0,0|1,0,1]=3 406 B7R0.4 CC(C)CSCCO I157607 [0,1,0,0,0,0|1,0,1]=3 407 B7R0.4 CC(C)NCCCO I157484 [0,1,0,0,0,0|1,0,2]=4 408 B7R0.4 CC(CCCCO)O H474422 [0,1,0,0,0,0|0,0,2]=3 409 B7R0.4 CC(CNCCN)O N159095 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.4 CC=CC=CC(=O)O H431430 [0,1,0,0,0,0|0,0,3]=4 411 B7R0.4 CC=CC=CC(=O)O S101106 [0,1,0,0,0,0|0,0,3]=4 412 B7R0.4 CC=CC=CC(=O)O S101108 [0,1,0,0,0,0|0,0,3]=4 413 B7R0.4 CC=CC=CC(=O)O S101109 [0,1,0,0,0,0|0,0,3]=4 414 B7R0.4 CC=CC=CC(=O)O S101111 [0,1,0,0,0,0|0,0,3]=4 415 B7R0.4 CC=CC=CC(=O)O S420601 [0,1,0,0,0,0|0,0,3]=4 416 B7R0.4 CCC=CCC(=O)O H101494 [0,1,0,0,0,0|0,0,3]=4 417 B7R0.4 CCCC=CC(=O)C H156932 [0,1,0,0,0,0|0,0,2]=3 418 B7R0.4 CCCC=CC(=O)O H107513 [0,1,0,0,0,0|0,0,1]=2 419 B7R0.4 CCCC=CC(=O)O H400070 [0,1,0,0,0,0|0,0,1]=2 420 B7R0.4 CCCCCC(=O)O H103630 [0,1,0,0,0,0|0,0,3]=4 421 B7R0.4 CCCCCC(=O)O H103631 [0,1,0,0,0,0|0,0,3]=4 422 B7R0.4 CCCCCC(=O)O H103632 [0,1,0,0,0,0|0,0,3]=4 423 B7R0.4 CCCCCC(=O)O H278778 [0,1,0,0,0,0|0,0,3]=4 424 B7R0.4 CCCCCC(=O)O H432079 [0,1,0,0,0,0|0,0,3]=4 425 B7R0.4 CCCCCC(C)C M113649 [0,1,0,0,0,0|1,0,2]=4 426 B7R0.4 CCCCCC(C)C M406726 [0,1,0,0,0,0|1,0,2]=4 427 B7R0.4 CCCCCC(C)N A166657 [0,1,0,0,0,0|1,0,2]=4 428 B7R0.4 CCCCCC(C)N A421028 [0,1,0,0,0,0|1,0,2]=4 429 B7R0.4 CCCCCC(C)N S474322 [0,1,0,0,0,0|1,0,2]=4 430 B7R0.4 CCCCCC(C)O H100747 [0,1,0,0,0,0|0,0,2]=3 431 B7R0.4 CCCCCC(C)O I137289 [0,1,0,0,0,0|0,0,2]=3 432 B7R0.4 CCCOCC(C)O P160113 [0,1,0,0,0,0|1,0,1]=3 433 B7R0.4 CCOC=CC(=O)O E185593 [0,1,0,0,0,0|1,0,1]=3 434 B7R0.4 COCC=CC(=O)O E589767 [0,1,0,0,0,0|1,0,1]=3 435 B7R0.7 C(NC(=O)NCO)O B152713 [0,1,0,0,0,0|3,0,0]=4 436 B7R0.7 CC(CCO)CCO M157872 [0,1,0,0,0,0|1,0,2]=4 437 B7R0.7 CCCC(=O)CCC H103840 [0,1,0,0,0,0|1,0,1]=3 438 B7R0.7 CCCC(=O)CCC H103841 [0,1,0,0,0,0|1,0,1]=3 439 B7R0.7 CCCC(=O)OC=C V162944 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.7 CCCC(=O)OCC E101116 [0,1,0,0,0,0|2,0,0]=3 441 B7R0.7 CCCC(=O)OCC E101117 [0,1,0,0,0,0|2,0,0]=3 442 B7R0.7 CCCC(=O)OCC E101119 [0,1,0,0,0,0|2,0,0]=3 443 B7R0.7 CCCC(=O)OCCl C153957 [0,1,0,0,0,0|2,0,0]=3 444 B7R0.7 CCCC(C)CCC M113651 [0,1,0,0,0,0|1,0,2]=4 445 B7R0.7 CCCC(CCC)N H156930 [0,1,0,0,0,0|1,0,2]=4 446 B7R0.7 CCCC(CCC)O H156873 [0,1,0,0,0,0|1,0,2]=4 447 B7R0.7 CCCC(CCO)S M102905 [0,1,0,0,0,0|0,0,2]=3 448 B7R0.7 CCCN(C)CCC I169711 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.7 CCNC(=O)NCC D108032 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.7 CCNC(=S)NCC D154883 [0,1,0,0,0,0|3,0,0]=4 451 B7R0.7 CCOC(=O)C=CC E156252 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.7 CCOC(=O)C=C[O-] E176875 [0,1,0,0,0,0|1,0,2]=4 453 B7R0.7 CCOC(=O)C=[N+]=[N-] E100922 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.7 CCOC(=O)CCBr E106956 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.7 CCOC(=O)CCCl E100652 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.7 CCOC(=O)CCI E185756 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.7 CCOC(=O)CCN A100434 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.7 CCOC(=O)CCO E185621 [0,1,0,0,0,0|1,0,1]=3 459 B7R0.7 CCOC(=O)CCS E119585 [0,1,0,0,0,0|1,1,1]=4 460 B7R0.7 CCOC(=O)CC[CH2-] E465885 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.7 CCOC(=O)CNC E115901 [0,1,0,0,0,0|3,0,0]=4 462 B7R0.7 CCOC(=O)COC E136304 [0,1,0,0,0,0|3,0,0]=4 463 B7R0.7 CCOC(=O)CSC E156475 [0,1,0,0,0,0|3,0,0]=4 464 B7R0.7 CCOC(=O)OCC D103040 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.7 CCOC(=O)OCCl C192930 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.7 CN(CCO)CCO M105602 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.7 CN(CCO)CCO M105603 [0,1,0,0,0,0|2,0,1]=4 468 B7R1.1 C1=C(C=NN1)CO H175899 [0,0,0,1,0,0|2,0,1]=4 469 B7R1.1 C1=C(NC=N1)CO H113059 [0,0,0,1,0,0|2,0,1]=4 470 B7R1.1 C1=C(NC=N1)CO I137052 [0,0,0,1,0,0|2,0,1]=4 471 B7R1.1 C1=C(SC=N1)CO T119309 [0,0,0,1,0,0|2,0,1]=4 472 B7R1.1 C1=COC(=C1)CN F111778 [0,0,0,1,0,0|1,0,2]=4 473 B7R1.1 C1=COC(=C1)CN F493732 [0,0,0,1,0,0|1,0,2]=4 474 B7R1.1 C1=COC(=C1)CO F110603 [0,0,0,1,0,0|1,0,2]=4 475 B7R1.1 C1=COC(=C1)CO F110604 [0,0,0,1,0,0|1,0,2]=4 476 B7R1.1 C1=COC(=C1)CS F102900 [0,0,0,1,0,0|1,0,2]=4 477 B7R1.1 C1=COC=C1CO F122642 [0,0,0,1,0,0|1,0,2]=4 478 B7R1.1 C1=CSC(=C1)CO T162809 [0,0,0,1,0,0|1,0,2]=4 479 B7R1.1 C1=CSC=C1CO T115329 [0,0,0,1,0,0|1,0,2]=4 480 B7R1.1 C1CC(NC1)CN A121648 [0,0,0,1,0,0|2,0,1]=4 481 B7R1.1 C1CC(NC1)CO P106015 [0,0,0,1,0,0|1,0,1]=3 482 B7R1.1 C1CC(NC1)CO P117145 [0,0,0,1,0,0|1,0,1]=3 483 B7R1.1 C1CC(NC1)CO P133858 [0,0,0,1,0,0|1,0,1]=3 484 B7R1.1 C1CC(OC1)CBr T161718 [0,0,0,1,0,0|1,0,2]=4 485 B7R1.1 C1CC(OC1)CCl T109587 [0,0,0,1,0,0|1,0,2]=4 486 B7R1.1 C1CC(OC1)CN T111157 [0,0,0,1,0,0|1,0,2]=4 487 B7R1.1 C1CC(OC1)CN T113724 [0,0,0,1,0,0|1,0,2]=4 488 B7R1.1 C1CC(OC1)CN T119768 [0,0,0,1,0,0|1,0,2]=4 489 B7R1.1 C1CC(OC1)CO T105718 [0,0,0,1,0,0|1,0,1]=3 490 B7R1.1 C1CC(OC1)CO T105720 [0,0,0,1,0,0|1,0,1]=3 491 B7R1.1 C1CC=C(C1)C=O C304145 [0,0,0,1,0,0|0,0,2]=3 492 B7R1.1 C1CCC(=NO)C1 C138083 [0,0,0,1,0,0|1,0,1]=3 493 B7R1.1 C1CCC(C1)CBr B184164 [0,0,0,1,0,0|1,0,2]=4 494 B7R1.1 C1CCC(C1)CI I169233 [0,0,0,1,0,0|1,0,2]=4 495 B7R1.1 C1CCC(C1)CN C176870 [0,0,0,1,0,0|1,0,2]=4 496 B7R1.1 C1CCC(C1)CO C121238 [0,0,0,1,0,0|0,0,2]=3 497 B7R1.1 C1CN=C(N1)CCl C190593 [0,0,0,1,0,0|3,0,0]=4 498 B7R1.1 C1COC(O1)CBr B153145 [0,0,0,1,0,0|2,0,1]=4 499 B7R1.1 C1COC(O1)CCl C153298 [0,0,0,1,0,0|2,0,1]=4 500 B7R1.1 C1COC(O1)CN A151048 [0,0,0,1,0,0|2,0,1]=4 501 B7R1.1 C1COC(O1)CO D193991 [0,0,0,1,0,0|2,0,1]=4 502 B7R1.1 C1COCC1CO T136105 [0,0,0,1,0,0|1,0,2]=4 503 B7R1.1 CCC1=CC=CN1 E156214 [0,0,0,1,0,0|1,0,2]=4 504 B7R1.1 CCC1=CC=CO1 E102538 [0,0,0,1,0,0|0,0,2]=3 505 B7R1.1 CCC1=CC=CO1 E141264 [0,0,0,1,0,0|0,0,2]=3 506 B7R1.1 CCC1=CC=CS1 E101589 [0,0,0,1,0,0|0,1,2]=4 507 B7R1.1 CCC1=CC=C[CH-]1 D166828 [0,0,0,1,0,0|1,0,2]=4 508 B7R1.1 CCC1=CSC=C1 E156073 [0,0,0,1,0,0|2,0,1]=4 509 B7R1.1 CCC1=NCCN1 E156339 [0,0,0,1,0,0|3,0,0]=4 510 B7R1.1 CCC1=NCCO1 E137961 [0,0,0,1,0,0|1,0,2]=4 511 B7R1.1 CCC1=NCCO1 P303248 [0,0,0,1,0,0|1,0,2]=4 512 B7R1.1 CCC1=NCCO1 P432473 [0,0,0,1,0,0|1,0,2]=4 513 B7R1.1 CCC1=NCCO1 P432474 [0,0,0,1,0,0|1,0,2]=4 514 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,0,0,1,0,0|1,0,1]=3 515 B7R1.1 CCC1CCCC1 E156243 [0,0,0,1,0,0|1,0,2]=4 516 B7R1.1 CCN1C=CC=C1 E156213 [0,0,0,1,0,0|2,0,1]=4 517 B7R1.1 CCN1C=CC=N1 E156393 [0,0,0,1,0,0|2,0,1]=4 518 B7R1.1 CCN1C=CN=C1 E139207 [0,0,0,1,0,0|3,0,0]=4 519 B7R1.1 CCN1CCCC1 E156259 [0,0,0,1,0,0|2,0,1]=4 520 B7R1.1 COC1=CC=CO1 M158540 [0,0,0,1,0,0|1,0,2]=4 521 B7R1.1 COC1OCCO1 M157786 [0,0,0,1,0,0|2,0,1]=4 522 B7R1.3 C1C(COCO1)O G141045 [0,0,0,1,0,0|2,0,1]=4 523 B7R1.3 C1CC(CNC1)F F166180 [0,0,0,1,0,0|2,0,1]=4 524 B7R1.3 C1CC(CNC1)N A119349 [0,0,0,1,0,0|2,0,1]=4 525 B7R1.3 C1CC(CNC1)N A121532 [0,0,0,1,0,0|2,0,1]=4 526 B7R1.3 C1CC(CNC1)N A121533 [0,0,0,1,0,0|2,0,1]=4 527 B7R1.3 C1CC(CNC1)N A151173 [0,0,0,1,0,0|2,0,1]=4 528 B7R1.3 C1CC(CNC1)N R586890 [0,0,0,1,0,0|2,0,1]=4 529 B7R1.3 C1CC(CNC1)O H119140 [0,0,0,1,0,0|1,0,1]=3 530 B7R1.3 C1CC(CNC1)O H119141 [0,0,0,1,0,0|1,0,1]=3 531 B7R1.3 C1CC(CNC1)O H123507 [0,0,0,1,0,0|1,0,1]=3 532 B7R1.3 C1CC(CNC1)O H123509 [0,0,0,1,0,0|1,0,1]=3 533 B7R1.3 C1CC(CNC1)O S588362 [0,0,0,1,0,0|1,0,1]=3 534 B7R1.3 C1CC(COC1)N S172896 [0,0,0,1,0,0|2,0,1]=4 535 B7R1.3 C1CC(COC1)O O175461 [0,0,0,1,0,0|1,0,1]=3 536 B7R1.3 C1CC=CC(C1)Br B152008 [0,0,0,1,0,0|1,0,0]=2 537 B7R1.3 C1CC=CC(C1)O C137053 [0,0,0,1,0,0|0,0,0]=1 538 B7R1.3 C1CCC(CC1)Br B109675 [0,0,0,1,0,0|1,0,2]=4 539 B7R1.3 C1CCC(CC1)Cl C106088 [0,0,0,1,0,0|1,0,2]=4 540 B7R1.3 C1CCC(CC1)F F156720 [0,0,0,1,0,0|1,0,2]=4 541 B7R1.3 C1CCC(CC1)I I157579 [0,0,0,1,0,0|1,0,2]=4 542 B7R1.3 C1CCC(CC1)N C103892 [0,0,0,1,0,0|1,0,2]=4 543 B7R1.3 C1CCC(CC1)N C105033 [0,0,0,1,0,0|1,0,2]=4 544 B7R1.3 C1CCC(CC1)N C105034 [0,0,0,1,0,0|1,0,2]=4 545 B7R1.3 C1CCC(CC1)N C105035 [0,0,0,1,0,0|1,0,2]=4 546 B7R1.3 C1CCC(CC1)N C105036 [0,0,0,1,0,0|1,0,2]=4 547 B7R1.3 C1CCC(CC1)N C136515 [0,0,0,1,0,0|1,0,2]=4 548 B7R1.3 C1CCC(CC1)N C405536 [0,0,0,1,0,0|1,0,2]=4 549 B7R1.3 C1CCC(CC1)N C492170 [0,0,0,1,0,0|1,0,2]=4 550 B7R1.3 C1CCC(CC1)N C492176 [0,0,0,1,0,0|1,0,2]=4 551 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,1,0,0|0,0,2]=3 552 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,1,0,0|0,0,2]=3 553 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,1,0,0|0,0,2]=3 554 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,1,0,0|0,0,2]=3 555 B7R1.3 C1CCC(CC1)S C107602 [0,0,0,1,0,0|0,1,2]=4 556 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,0,0,1,0,0|1,0,2]=4 557 B7R1.3 C1CNCCC1O H106359 [0,0,0,1,0,0|1,0,2]=4 558 B7R1.3 C1CNCCC1O H138960 [0,0,0,1,0,0|1,0,2]=4 559 B7R1.3 C1COC(=O)C=C1 D155403 [0,0,0,1,0,0|1,0,2]=4 560 B7R1.3 C1COCCC1O T119338 [0,0,0,1,0,0|1,0,2]=4 561 B7R1.3 C1CSCCC1O T161724 [0,0,0,1,0,0|1,0,2]=4 562 B7R1.3 CC1=CCC=CC1 M113652 [0,0,0,1,0,0|1,0,1]=3 563 B7R1.3 CC1=CCCCC1 M158209 [0,0,0,1,0,0|1,0,2]=4 564 B7R1.3 CC1CCCC=C1 M158227 [0,0,0,1,0,0|1,0,0]=2 565 B7R1.3 CC1CCCCC1 M103329 [0,0,0,1,0,0|1,0,2]=4 566 B7R1.3 CC1CCCCC1 M103330 [0,0,0,1,0,0|1,0,2]=4 567 B7R1.3 CC1CCCCC1 M103331 [0,0,0,1,0,0|1,0,2]=4 568 B7R1.3 CC1CCCCC1 M118385 [0,0,0,1,0,0|1,0,2]=4 569 B7R1.3 CC1CCCCC1 M119670 [0,0,0,1,0,0|1,0,2]=4 570 B7R1.3 CC1CCCCN1 I169537 [0,0,0,1,0,0|1,0,2]=4 571 B7R1.3 CC1CCCCN1 M106737 [0,0,0,1,0,0|1,0,2]=4 572 B7R1.3 CC1CCCNC1 M158771 [0,0,0,1,0,0|2,0,1]=4 573 B7R1.3 CC1CCCNC1 R588230 [0,0,0,1,0,0|2,0,1]=4 574 B7R1.3 CC1CCCNC1 S191141 [0,0,0,1,0,0|2,0,1]=4 575 B7R1.3 CC1CCNCC1 M158650 [0,0,0,1,0,0|2,0,1]=4 576 B7R1.3 CC1CCOCO1 M158047 [0,0,0,1,0,0|1,0,1]=3 577 B7R1.3 CC1CNCCN1 M103218 [0,0,0,1,0,0|2,0,1]=4 578 B7R1.3 CC1CNCCN1 M120020 [0,0,0,1,0,0|2,0,1]=4 579 B7R1.3 CC1CNCCN1 R160832 [0,0,0,1,0,0|2,0,1]=4 580 B7R1.3 CC1CNCCO1 M588524 [0,0,0,1,0,0|1,0,1]=3 581 B7R1.3 CC1CNCCO1 R174894 [0,0,0,1,0,0|1,0,1]=3 582 B7R1.3 CC1CNCCO1 S172145 [0,0,0,1,0,0|1,0,1]=3 583 B7R1.3 CC1COCCN1 M193354 [0,0,0,1,0,0|2,0,1]=4 584 B7R1.3 CC1COCCN1 R160948 [0,0,0,1,0,0|2,0,1]=4 585 B7R1.3 CC1COCCN1 R177343 [0,0,0,1,0,0|2,0,1]=4 586 B7R1.3 CC1COCCN1 S176218 [0,0,0,1,0,0|2,0,1]=4 587 B7R1.3 CC1COCCN1 S189368 [0,0,0,1,0,0|2,0,1]=4 588 B7R1.3 C[Si]1CCCCO1 P107083 [0,0,0,1,0,0|0,1,2]=4 589 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,0,0,1,0,0|1,0,2]=4 590 B7R1.4 C1C(C(CN1)O)O C175295 [0,0,0,1,0,0|2,0,1]=4 591 B7R1.4 C1C(C(CN1)O)O P108071 [0,0,0,1,0,0|2,0,1]=4 592 B7R1.4 C1C(C(CN1)O)O P108072 [0,0,0,1,0,0|2,0,1]=4 593 B7R1.4 C1C(C(CN1)O)O P108073 [0,0,0,1,0,0|2,0,1]=4 594 B7R1.4 C1C(C(CN1)O)O S178122 [0,0,0,1,0,0|2,0,1]=4 595 B7R1.4 C1C(C(CO1)O)N A587267 [0,0,0,1,0,0|2,0,1]=4 596 B7R1.4 C1C(C(CO1)O)O A151297 [0,0,0,1,0,0|2,0,1]=4 597 B7R1.4 C1CC(C(C1)O)N A101741 [0,0,0,1,0,0|1,0,2]=4 598 B7R1.4 C1CC(C(C1)O)N A101751 [0,0,0,1,0,0|1,0,2]=4 599 B7R1.4 C1CC(C(C1)O)N A187867 [0,0,0,1,0,0|1,0,2]=4 600 B7R1.4 C1CC(C(C1)O)N C348612 [0,0,0,1,0,0|1,0,2]=4 601 B7R1.4 C1CC(C(C1)O)N I168764 [0,0,0,1,0,0|1,0,2]=4 602 B7R1.4 C1CC(C(C1)O)N R465237 [0,0,0,1,0,0|1,0,2]=4 603 B7R1.4 C1CC(C(C1)O)O I170645 [0,0,0,1,0,0|1,0,2]=4 604 B7R1.4 C1CC(C(C1)O)O T471195 [0,0,0,1,0,0|1,0,2]=4 605 B7R1.4 CC1CCCC1O B300625 [0,0,0,1,0,0|0,0,2]=3 606 B7R1.6 C1C(=CC#N)CO1 O165959 [0,0,0,1,0,0|2,0,1]=4 607 B7R1.6 C1C(CN1)CCO A174496 [0,0,0,1,0,0|1,0,2]=4 608 B7R1.6 C1C(CO1)CCO O175897 [0,0,0,1,0,0|1,0,2]=4 609 B7R1.6 C1CN(C1)CCO A194559 [0,0,0,1,0,0|1,0,1]=3 610 B7R1.7 CCCCC1CO1 E156398 [0,0,0,1,0,0|0,0,2]=3 611 B7R1.7 CCOCC1CO1 E156388 [0,0,0,1,0,0|1,0,2]=4 612 B7R1.24 C1CCC=CCC1 C153473 [0,0,0,1,0,0|1,0,0]=2 613 B7R1.24 C1CCCCCC1 C110929 [0,0,0,1,0,0|1,0,2]=4 614 B7R1.24 C1CCCNCC1 H157403 [0,0,0,1,0,0|1,0,2]=4 615 B7R1.24 C1CCCOCC1 H157291 [0,0,0,1,0,0|0,0,2]=3 616 B7R1.24 C1CNCCNC1 H106298 [0,0,0,1,0,0|2,0,1]=4 617 B7R1.24 C1CNCCOC1 O587706 [0,0,0,1,0,0|1,0,1]=3 618 B4R0.2 C#CCCO B106249 [2,0,0,0,0,0|0,0,2]=4 619 B4R0.2 C(C=CCl)Cl C470045 [2,0,0,0,0,0|2,0,0]=4 620 B4R0.2 C(C=CCl)Cl D114577 [2,0,0,0,0,0|2,0,0]=4 621 B4R0.2 C(C=CCl)Cl D115814 [2,0,0,0,0,0|2,0,0]=4 622 B4R0.2 C(C=CCl)Cl D119391 [2,0,0,0,0,0|2,0,0]=4 623 B4R0.2 C(C=CCl)Cl D128134 [2,0,0,0,0,0|2,0,0]=4 624 B4R0.2 C(C=CO)Cl R303195 [2,0,0,0,0,0|1,0,0]=3 625 B4R0.2 C(CBr)CBr D104777 [2,0,0,0,0,0|2,0,0]=4 626 B4R0.2 C(CBr)CBr D104778 [2,0,0,0,0,0|2,0,0]=4 627 B4R0.2 C(CCl)CBr B105780 [2,0,0,0,0,0|2,0,0]=4 628 B4R0.2 C(CCl)CCl D109184 [2,0,0,0,0,0|2,0,0]=4 629 B4R0.2 C(CCl)CCl D109185 [2,0,0,0,0,0|2,0,0]=4 630 B4R0.2 C(CCl)CCl D113099 [2,0,0,0,0,0|2,0,0]=4 631 B4R0.2 C(CCl)CCl D128142 [2,0,0,0,0,0|2,0,0]=4 632 B4R0.2 C(CCl)CCl D140761 [2,0,0,0,0,0|2,0,0]=4 633 B4R0.2 C(CCl)CI C153543 [2,0,0,0,0,0|2,0,0]=4 634 B4R0.2 C(CF)CBr B303518 [2,0,0,0,0,0|2,0,0]=4 635 B4R0.2 C(CF)CI I184641 [2,0,0,0,0,0|2,0,0]=4 636 B4R0.2 C(CI)CI D139104 [2,0,0,0,0,0|2,0,0]=4 637 B4R0.2 C(CN)CBr B106915 [2,0,0,0,0,0|2,0,0]=4 638 B4R0.2 C(CN)CCl C102474 [2,0,0,0,0,0|2,0,0]=4 639 B4R0.2 C(CN)CN B151838 [2,0,0,0,0,0|2,0,0]=4 640 B4R0.2 C(CN)CN D154662 [2,0,0,0,0,0|2,0,0]=4 641 B4R0.2 C(CN)CN D155613 [2,0,0,0,0,0|2,0,0]=4 642 B4R0.2 C(CN)CN D155681 [2,0,0,0,0,0|2,0,0]=4 643 B4R0.2 C(CN)CN P103898 [2,0,0,0,0,0|2,0,0]=4 644 B4R0.2 C(CN)CN P492915 [2,0,0,0,0,0|2,0,0]=4 645 B4R0.2 C(CN)CN P494086 [2,0,0,0,0,0|2,0,0]=4 646 B4R0.2 C(CN)CO A106068 [2,0,0,0,0,0|1,0,0]=3 647 B4R0.2 C(CN)CO A106069 [2,0,0,0,0,0|1,0,0]=3 648 B4R0.2 C(CN)CO A151629 [2,0,0,0,0,0|1,0,0]=3 649 B4R0.2 C(CN)CO A299064 [2,0,0,0,0,0|1,0,0]=3 650 B4R0.2 C(CN)CS A476835 [2,0,0,0,0,0|1,1,0]=4 651 B4R0.2 C(CO)C#N H109415 [2,0,0,0,0,0|1,0,1]=4 652 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|1,0,1]=4 653 B4R0.2 C(CO)CBr B108055 [2,0,0,0,0,0|1,0,0]=3 654 B4R0.2 C(CO)CBr B140136 [2,0,0,0,0,0|1,0,0]=3 655 B4R0.2 C(CO)CCl C109471 [2,0,0,0,0,0|1,0,0]=3 656 B4R0.2 C(CO)CF F404475 [2,0,0,0,0,0|1,0,0]=3 657 B4R0.2 C(CO)CI I139105 [2,0,0,0,0,0|1,0,0]=3 658 B4R0.2 C(CO)CO P108206 [2,0,0,0,0,0|1,0,0]=3 659 B4R0.2 C(CO)CO P108207 [2,0,0,0,0,0|1,0,0]=3 660 B4R0.2 C(CO)CO P108208 [2,0,0,0,0,0|1,0,0]=3 661 B4R0.2 C(CO)CO P432773 [2,0,0,0,0,0|1,0,0]=3 662 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|1,0,0]=3 663 B4R0.2 C(CO)NN H113414 [2,0,0,0,0,0|2,0,0]=4 664 B4R0.2 C(CS)CS P100845 [2,0,0,0,0,0|1,1,0]=4 665 B4R0.2 C=CCC#N A124212 [2,0,0,0,0,0|1,0,1]=4 666 B4R0.2 C=CCCBr B106906 [2,0,0,0,0,0|1,0,0]=3 667 B4R0.2 C=CCCCl C405543 [2,0,0,0,0,0|1,0,0]=3 668 B4R0.2 C=CCCN B167997 [2,0,0,0,0,0|1,0,0]=3 669 B4R0.2 C=CCCO B120318 [2,0,0,0,0,0|1,0,0]=3 670 B4R0.2 C=CCON O159949 [2,0,0,0,0,0|2,0,0]=4 671 B4R0.2 CC#CCO B111064 [2,0,0,0,0,0|0,0,2]=4 672 B4R0.2 CC=CC#N B111228 [2,0,0,0,0,0|1,0,1]=4 673 B4R0.2 CC=CCCl C153477 [2,0,0,0,0,0|1,0,0]=3 674 B4R0.2 CC=CCCl C153917 [2,0,0,0,0,0|1,0,0]=3 675 B4R0.2 CC=CCO C106252 [2,0,0,0,0,0|0,0,0]=2 676 B4R0.2 CCC#CC P160658 [2,0,0,0,0,0|0,0,2]=4 677 B4R0.2 CCC=C=C P160269 [2,0,0,0,0,0|0,0,2]=4 678 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|0,0,1]=3 679 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|0,0,1]=3 680 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|0,0,1]=3 681 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,0]=3 682 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,0]=3 683 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,0]=3 684 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,0]=3 685 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,0]=3 686 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,0]=3 687 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,0]=3 688 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,0]=3 689 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,0]=3 690 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,0]=3 691 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|1,0,0]=3 692 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|1,0,0]=3 693 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|1,0,0]=3 694 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|1,0,0]=3 695 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|1,0,0]=3 696 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|1,0,0]=3 697 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|1,0,0]=3 698 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|1,0,0]=3 699 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|1,0,0]=3 700 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|1,0,0]=3 701 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|1,0,0]=3 702 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|1,0,0]=3 703 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|0,0,0]=2 704 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|0,0,0]=2 705 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|0,0,0]=2 706 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|0,0,0]=2 707 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|0,0,0]=2 708 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|0,0,0]=2 709 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|0,0,0]=2 710 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|0,0,0]=2 711 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|0,0,0]=2 712 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|0,0,0]=2 713 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|0,0,0]=2 714 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|0,0,0]=2 715 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|0,0,0]=2 716 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|0,0,0]=2 717 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|0,1,0]=3 718 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|0,1,0]=3 719 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|1,0,0]=3 720 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|1,0,0]=3 721 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|0,0,1]=3 722 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|0,0,1]=3 723 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|0,0,1]=3 724 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|0,0,1]=3 725 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|0,0,1]=3 726 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|0,0,1]=3 727 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|1,0,0]=3 728 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|1,0,0]=3 729 B4R0.2 CCNC=O N159329 [2,0,0,0,0,0|1,0,1]=4 730 B4R0.2 CCNCC D110465 [2,0,0,0,0,0|1,0,1]=4 731 B4R0.2 CCNCC D110466 [2,0,0,0,0,0|1,0,1]=4 732 B4R0.2 CCNCC D110469 [2,0,0,0,0,0|1,0,1]=4 733 B4R0.2 CCNCC D110470 [2,0,0,0,0,0|1,0,1]=4 734 B4R0.2 CCNCC D154676 [2,0,0,0,0,0|1,0,1]=4 735 B4R0.2 CCNCC D155612 [2,0,0,0,0,0|1,0,1]=4 736 B4R0.2 CCNCC E102892 [2,0,0,0,0,0|1,0,1]=4 737 B4R0.2 CCNCC E102893 [2,0,0,0,0,0|1,0,1]=4 738 B4R0.2 CCOC=C P475896 [2,0,0,0,0,0|1,0,0]=3 739 B4R0.2 CCOC=O E110412 [2,0,0,0,0,0|1,0,1]=4 740 B4R0.2 CCOC=O E110414 [2,0,0,0,0,0|1,0,1]=4 741 B4R0.2 CCOC=O E110415 [2,0,0,0,0,0|1,0,1]=4 742 B4R0.2 CCOC=O E110417 [2,0,0,0,0,0|1,0,1]=4 743 B4R0.2 CCOC=O E139940 [2,0,0,0,0,0|1,0,1]=4 744 B4R0.2 CCOCC B104430 [2,0,0,0,0,0|1,0,1]=4 745 B4R0.2 CCOCC B104431 [2,0,0,0,0,0|1,0,1]=4 746 B4R0.2 CCOCC B299094 [2,0,0,0,0,0|1,0,1]=4 747 B4R0.2 CCOCC B431395 [2,0,0,0,0,0|1,0,1]=4 748 B4R0.2 CCOCC M345280 [2,0,0,0,0,0|1,0,1]=4 749 B4R0.2 CCOCC T189182 [2,0,0,0,0,0|1,0,1]=4 750 B4R0.2 CCOCC T498340 [2,0,0,0,0,0|1,0,1]=4 751 B4R0.2 CCOCCl C137178 [2,0,0,0,0,0|2,0,0]=4 752 B4R0.2 CCSC=C E156347 [2,0,0,0,0,0|1,0,0]=3 753 B4R0.2 CCSCC C130098 [2,0,0,0,0,0|1,0,1]=4 754 B4R0.2 CCSCC D105796 [2,0,0,0,0,0|1,0,1]=4 755 B4R0.2 CC[N-]CC L283253 [2,0,0,0,0,0|1,0,1]=4 756 B4R0.2 CC[Si]CC D331180 [2,0,0,0,0,0|0,1,1]=4 757 B4R0.2 CNCC=C I136680 [2,0,0,0,0,0|1,0,0]=3 758 B4R0.2 CNCCBr B589001 [2,0,0,0,0,0|2,0,0]=4 759 B4R0.2 CNCCCl M303747 [2,0,0,0,0,0|2,0,0]=4 760 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|2,0,0]=4 761 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|1,0,0]=3 762 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|1,0,0]=3 763 B4R0.2 COCC=C A135232 [2,0,0,0,0,0|1,0,0]=3 764 B4R0.2 COCCBr B139139 [2,0,0,0,0,0|2,0,0]=4 765 B4R0.2 COCCCl C108060 [2,0,0,0,0,0|2,0,0]=4 766 B4R0.2 COCCN M138018 [2,0,0,0,0,0|2,0,0]=4 767 B4R0.2 COCCN M404735 [2,0,0,0,0,0|2,0,0]=4 768 B4R0.2 COCCN M493557 [2,0,0,0,0,0|2,0,0]=4 769 B4R0.2 COCCO M102852 [2,0,0,0,0,0|1,0,0]=3 770 B4R0.2 COCCO M102853 [2,0,0,0,0,0|1,0,0]=3 771 B4R0.2 COCCO M102854 [2,0,0,0,0,0|1,0,0]=3 772 B4R0.2 COCCO M102855 [2,0,0,0,0,0|1,0,0]=3 773 B4R0.2 COCCO M102856 [2,0,0,0,0,0|1,0,0]=3 774 B4R0.2 COCCO M102857 [2,0,0,0,0,0|1,0,0]=3 775 B4R0.2 COCCO M102858 [2,0,0,0,0,0|1,0,0]=3 776 B4R0.2 COCCO M119725 [2,0,0,0,0,0|1,0,0]=3 777 B4R0.2 COCOC D101433 [2,0,0,0,0,0|2,0,0]=4 778 B4R0.2 COCOC D101436 [2,0,0,0,0,0|2,0,0]=4 779 B4R0.2 COCOC F431409 [2,0,0,0,0,0|2,0,0]=4 780 B4R0.2 CSCC=C A101060 [2,0,0,0,0,0|1,0,0]=3 781 B4R0.2 CSCCCl C153648 [2,0,0,0,0,0|2,0,0]=4 782 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|2,0,0]=4 783 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|2,0,0]=4 784 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|1,0,0]=3 785 B4R0.2 CSCSC B140648 [2,0,0,0,0,0|2,0,0]=4 786 B6R0.1 C(C(=O)NCO)Cl C169257 [1,1,0,0,0,0|2,0,0]=4 787 B6R0.1 C(CO)C(CO)O B105549 [1,1,0,0,0,0|1,0,1]=4 788 B6R0.1 C(CO)C(CO)O B118474 [1,1,0,0,0,0|1,0,1]=4 789 B6R0.1 C(CO)C(CO)O R472595 [1,1,0,0,0,0|1,0,1]=4 790 B6R0.1 C(CO)C(CO)O S102777 [1,1,0,0,0,0|1,0,1]=4 791 B6R0.1 CC(CCO)OC M102190 [1,1,0,0,0,0|1,0,1]=4 792 B6R0.1 CC=CC(=O)OC M109486 [1,1,0,0,0,0|1,0,1]=4 793 B6R0.1 CCC(=O)C=CC E404567 [1,1,0,0,0,0|0,0,1]=3 794 B6R0.1 CCC(=O)C=CC H111425 [1,1,0,0,0,0|0,0,1]=3 795 B6R0.1 CCC(=O)OCC E103457 [1,1,0,0,0,0|1,0,1]=4 796 B6R0.1 CCC(=O)OCC E103458 [1,1,0,0,0,0|1,0,1]=4 797 B6R0.1 CCC(=O)OCC E103459 [1,1,0,0,0,0|1,0,1]=4 798 B6R0.1 CCC(=O)OCC E103460 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.1 CCC(=O)OCC E278958 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.1 CCC(=O)SCC S133123 [1,1,0,0,0,0|1,0,1]=4 801 B6R0.1 CCC(C)OCC S161060 [1,1,0,0,0,0|1,0,1]=4 802 B6R0.1 CCC(CCN)N D155073 [1,1,0,0,0,0|1,0,1]=4 803 B6R0.1 CCC(COC)N A151357 [1,1,0,0,0,0|1,0,1]=4 804 B6R0.1 CCC(COC)O M158749 [1,1,0,0,0,0|1,0,1]=4 805 B6R0.1 CCC=C(C)C=O M102187 [1,1,0,0,0,0|0,0,2]=4 806 B6R0.1 CCCC(=O)CC H106710 [1,1,0,0,0,0|0,0,1]=3 807 B6R0.1 CCCC(=O)NN B183968 [1,1,0,0,0,0|2,0,0]=4 808 B6R0.1 CCCC(=O)OC M100038 [1,1,0,0,0,0|1,0,0]=3 809 B6R0.1 CCCC(=O)OC M100039 [1,1,0,0,0,0|1,0,0]=3 810 B6R0.1 CCCC(=O)OC M100040 [1,1,0,0,0,0|1,0,0]=3 811 B6R0.1 CCCC(=O)SC M102997 [1,1,0,0,0,0|1,0,0]=3 812 B6R0.1 CCCC(C)C=O M158691 [1,1,0,0,0,0|0,0,2]=4 813 B6R0.1 CCCC(C)CC M158521 [1,1,0,0,0,0|0,0,2]=4 814 B6R0.1 CCCC(C)CO M113625 [1,1,0,0,0,0|0,0,1]=3 815 B6R0.1 CCCC(C=C)O H157268 [1,1,0,0,0,0|0,0,2]=4 816 B6R0.1 CCCC(CC)Br B152444 [1,1,0,0,0,0|0,0,2]=4 817 B6R0.1 CCCC(CC)Cl C153662 [1,1,0,0,0,0|0,0,2]=4 818 B6R0.1 CCCC(CC)O H133955 [1,1,0,0,0,0|0,0,2]=4 819 B6R0.1 CCCC(CO)N D333561 [1,1,0,0,0,0|0,0,1]=3 820 B6R0.1 CCCC(CO)N I168777 [1,1,0,0,0,0|0,0,1]=3 821 B6R0.1 CCCC(CO)O P108068 [1,1,0,0,0,0|0,0,1]=3 822 B6R0.1 CCNC(=O)C=C N136947 [1,1,0,0,0,0|1,0,1]=4 823 B6R0.1 CCOC(=NO)C E124202 [1,1,0,0,0,0|2,0,0]=4 824 B6R0.1 CCOC(=O)C=C E112943 [1,1,0,0,0,0|1,0,1]=4 825 B6R0.1 CCOC(=O)C=C E112944 [1,1,0,0,0,0|1,0,1]=4 826 B6R0.1 CCOC(=O)C=C E112945 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.1 CCOC(=O)C=C E465763 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.1 CCOC(=O)C=O E106246 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.1 CCOC(=O)CBr E106090 [1,1,0,0,0,0|2,0,0]=4 830 B6R0.1 CCOC(=O)CCl E105166 [1,1,0,0,0,0|2,0,0]=4 831 B6R0.1 CCOC(=O)CCl E105167 [1,1,0,0,0,0|2,0,0]=4 832 B6R0.1 CCOC(=O)CF E107563 [1,1,0,0,0,0|2,0,0]=4 833 B6R0.1 CCOC(=O)CN G105477 [1,1,0,0,0,0|2,0,0]=4 834 B6R0.1 CCOC(=O)CO E101730 [1,1,0,0,0,0|1,0,0]=3 835 B6R0.1 CCOC(=O)CS E109439 [1,1,0,0,0,0|1,1,0]=4 836 B6R0.1 CCOC(=O)OC E110111 [1,1,0,0,0,0|2,0,0]=4 837 B6R0.1 CCOC(=O)OC E433135 [1,1,0,0,0,0|2,0,0]=4 838 B6R0.1 CNCC(CO)O M157918 [1,1,0,0,0,0|1,0,1]=4 839 B6R0.1 COC(=O)CCBr M158830 [1,1,0,0,0,0|2,0,0]=4 840 B6R0.1 COC(=O)CCN A104532 [1,1,0,0,0,0|2,0,0]=4 841 B6R0.1 COC(=O)CCO D304149 [1,1,0,0,0,0|1,0,1]=4 842 B6R0.1 COC(=O)CCS M107600 [1,1,0,0,0,0|2,0,0]=4 843 B6R0.1 COC(=O)CSC M120419 [1,1,0,0,0,0|2,0,0]=4 844 B6R0.1 COCC(=O)OC M106398 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.1 COCC(CO)O M135227 [1,1,0,0,0,0|1,0,1]=4 846 B6R0.4 B(C=CCCl)(O)O I168619 [1,1,0,0,0,0|2,0,0]=4 847 B6R0.4 B(CCCC)(O)O B101013 [1,1,0,0,0,0|1,0,1]=4 848 B6R0.4 C(C=CC(=O)O)Br B152770 [1,1,0,0,0,0|1,0,1]=4 849 B6R0.4 C(C=CC(=O)O)O T341890 [1,1,0,0,0,0|1,0,1]=4 850 B6R0.4 C(CC(=O)O)CBr B106907 [1,1,0,0,0,0|1,0,1]=4 851 B6R0.4 C(CC(=O)O)CCl C134513 [1,1,0,0,0,0|1,0,1]=4 852 B6R0.4 C(CC(=O)O)CN A104200 [1,1,0,0,0,0|1,0,1]=4 853 B6R0.4 C(CC(=O)O)CN A293557 [1,1,0,0,0,0|1,0,1]=4 854 B6R0.4 C(CC(=O)O)CN A424756 [1,1,0,0,0,0|1,0,1]=4 855 B6R0.4 C(CC(=O)O)CN A468499 [1,1,0,0,0,0|1,0,1]=4 856 B6R0.4 C(CC(=O)O)CN A472038 [1,1,0,0,0,0|1,0,1]=4 857 B6R0.4 C(CC(=O)O)CN G276591 [1,1,0,0,0,0|1,0,1]=4 858 B6R0.4 CC(=CCCBr)C B470663 [1,1,0,0,0,0|1,0,0]=3 859 B6R0.4 CC(=O)C=COC M113467 [1,1,0,0,0,0|1,0,1]=4 860 B6R0.4 CC(=O)C=COC M434875 [1,1,0,0,0,0|1,0,1]=4 861 B6R0.4 CC(=O)CCCBr B345087 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.4 CC(=O)CCCCl C108070 [1,1,0,0,0,0|1,0,1]=4 863 B6R0.4 CC(=O)CCSC M135087 [1,1,0,0,0,0|1,0,1]=4 864 B6R0.4 CC(=O)NCCN A117219 [1,1,0,0,0,0|2,0,0]=4 865 B6R0.4 CC(=O)NCCO A112970 [1,1,0,0,0,0|2,0,0]=4 866 B6R0.4 CC(=O)NCCO A112971 [1,1,0,0,0,0|2,0,0]=4 867 B6R0.4 CC(=O)NCCS N347842 [1,1,0,0,0,0|2,0,0]=4 868 B6R0.4 CC(=O)OCCBr B102635 [1,1,0,0,0,0|2,0,0]=4 869 B6R0.4 CC(=O)OCCCl A140396 [1,1,0,0,0,0|2,0,0]=4 870 B6R0.4 CC(=O)OCCN A588049 [1,1,0,0,0,0|2,0,0]=4 871 B6R0.4 CC(=O)OCCO H156959 [1,1,0,0,0,0|2,0,0]=4 872 B6R0.4 CC(=O)SCCN T340735 [1,1,0,0,0,0|2,0,0]=4 873 B6R0.4 CC(C)CCC=O M586390 [1,1,0,0,0,0|0,0,2]=4 874 B6R0.4 CC(C)CCCBr B152440 [1,1,0,0,0,0|1,0,1]=4 875 B6R0.4 CC(C)CCCO I136441 [1,1,0,0,0,0|0,0,1]=3 876 B6R0.4 CC(C)COC=C I109049 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.4 CC(C)COC=C I109050 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.4 CC(C)COC=O I141415 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.4 CC(C)COC=O I432878 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.4 CC(C)NCCO I157482 [1,1,0,0,0,0|1,0,1]=4 881 B6R0.4 CC(C)NCCO I431393 [1,1,0,0,0,0|1,0,1]=4 882 B6R0.4 CC(C)OCCO I106814 [1,1,0,0,0,0|1,0,1]=4 883 B6R0.4 CC(CCCBr)Br D155307 [1,1,0,0,0,0|1,0,1]=4 884 B6R0.4 CC(CCCO)O P171240 [1,1,0,0,0,0|0,0,1]=3 885 B6R0.4 CC=CCC(=O)O P165142 [1,1,0,0,0,0|1,0,1]=4 886 B6R0.4 CCC#CC(=O)O P137286 [1,1,0,0,0,0|0,0,2]=4 887 B6R0.4 CCC=CC(=O)O T162309 [1,1,0,0,0,0|0,0,1]=3 888 B6R0.4 CCCCC(=N)N D305243 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.4 CCCCC(=O)Br V162931 [1,1,0,0,0,0|0,0,2]=4 890 B6R0.4 CCCCC(=O)C H105743 [1,1,0,0,0,0|0,0,1]=3 891 B6R0.4 CCCCC(=O)C H105744 [1,1,0,0,0,0|0,0,1]=3 892 B6R0.4 CCCCC(=O)C H111491 [1,1,0,0,0,0|0,0,1]=3 893 B6R0.4 CCCCC(=O)C H141140 [1,1,0,0,0,0|0,0,1]=3 894 B6R0.4 CCCCC(=O)Cl V107241 [1,1,0,0,0,0|0,0,2]=4 895 B6R0.4 CCCCC(=O)N V162967 [1,1,0,0,0,0|0,0,2]=4 896 B6R0.4 CCCCC(=O)O V108269 [1,1,0,0,0,0|0,0,1]=3 897 B6R0.4 CCCCC(=O)O V108270 [1,1,0,0,0,0|0,0,1]=3 898 B6R0.4 CCCCC(=O)O V108271 [1,1,0,0,0,0|0,0,1]=3 899 B6R0.4 CCCCC(=O)O V108272 [1,1,0,0,0,0|0,0,1]=3 900 B6R0.4 CCCCC(=O)O V302252 [1,1,0,0,0,0|0,0,1]=3 901 B6R0.4 CCCCC(=O)[O-] S194180 [1,1,0,0,0,0|0,0,2]=4 902 B6R0.4 CCCCC(C)C M158516 [1,1,0,0,0,0|0,0,2]=4 903 B6R0.4 CCCCC(C)Cl C153661 [1,1,0,0,0,0|0,0,2]=4 904 B6R0.4 CCCCC(C)N B301374 [1,1,0,0,0,0|0,0,2]=4 905 B6R0.4 CCCCC(C)O H105565 [1,1,0,0,0,0|0,0,1]=3 906 B6R0.4 CCCCC(C)O I170762 [1,1,0,0,0,0|0,0,1]=3 907 B6R0.4 CCCCC(C)O R588494 [1,1,0,0,0,0|0,0,1]=3 908 B6R0.4 CCCCN(C)C D108036 [1,1,0,0,0,0|1,0,1]=4 909 B6R0.4 CCCC[Sn](=O)O M107696 [1,1,0,0,0,0|1,0,1]=4 910 B6R0.4 CCCNC(=O)N P589707 [1,1,0,0,0,0|1,0,1]=4 911 B6R0.4 CCCNC(=S)N P356262 [1,1,0,0,0,0|1,1,0]=4 912 B6R0.4 CCCOC(=O)C P103882 [1,1,0,0,0,0|1,0,0]=3 913 B6R0.4 CCCOC(=O)C P103883 [1,1,0,0,0,0|1,0,0]=3 914 B6R0.4 CCCOC(=O)N P194271 [1,1,0,0,0,0|1,0,1]=4 915 B6R0.4 CCCSC(=O)C S161333 [1,1,0,0,0,0|1,0,0]=3 916 B6R0.4 CCCSC(C)C I157608 [1,1,0,0,0,0|1,0,1]=4 917 B6R0.4 CCNCC(=O)O N159193 [1,1,0,0,0,0|1,0,1]=4 918 B6R0.4 CCOCC(=O)O E156174 [1,1,0,0,0,0|1,0,1]=4 919 B6R0.4 CCOCC(C)O E110143 [1,1,0,0,0,0|1,0,1]=4 920 B6R0.4 CCSCC(=O)O E300419 [1,1,0,0,0,0|1,0,1]=4 921 B6R0.4 CN(C)CCCO D106344 [1,1,0,0,0,0|1,0,1]=4 922 B6R0.4 CNCCC(=O)O M183299 [1,1,0,0,0,0|1,0,1]=4 923 B6R0.4 COCCC(=O)O M169065 [1,1,0,0,0,0|1,0,1]=4 924 B6R0.4 CSCCC(=O)O M158072 [1,1,0,0,0,0|1,0,1]=4 925 B8R0.1 CCCC(=O)OCCC P100043 [0,2,0,0,0,0|1,0,1]=4 926 B8R0.1 CCCC(=O)OCCC P100044 [0,2,0,0,0,0|1,0,1]=4 927 B8R0.1 CCCCC(=O)C=CC O160046 [0,2,0,0,0,0|1,0,1]=4 928 B8R0.1 CCCCC(=O)CCC O160045 [0,2,0,0,0,0|1,0,1]=4 929 B8R0.1 CCCCC(=O)OCC E105293 [0,2,0,0,0,0|1,0,1]=4 930 B8R0.1 CCCCC(=O)OCC E105294 [0,2,0,0,0,0|1,0,1]=4 931 B8R0.1 CCCCC(=O)OCC E118465 [0,2,0,0,0,0|1,0,1]=4 932 B8R0.1 CCCOC(=O)CC#N P160480 [0,2,0,0,0,0|2,0,0]=4 933 B8R0.1 CCOC(=O)C=CCBr E113754 [0,2,0,0,0,0|1,0,1]=4 934 B8R0.1 CCOC(=O)C=CCBr E589630 [0,2,0,0,0,0|1,0,1]=4 935 B8R0.1 CCOC(=O)CCCBr E106908 [0,2,0,0,0,0|2,0,0]=4 936 B8R0.1 CCOC(=O)CCCBr E639064 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.1 CCOC(=O)CCCCl E135072 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.1 CCOC(=O)CCCCl E493598 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.1 CCOC(=O)CCCN E122453 [0,2,0,0,0,0|2,0,0]=4 940 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,2,0,0,0,0|2,0,0]=4 941 B8R0.1 CCOC(=O)CCSC E107629 [0,2,0,0,0,0|2,0,0]=4 942 B8R0.1 CCOCC(=O)OCC E195171 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.4 C#CCCCCCCO O136501 [0,2,0,0,0,0|0,0,2]=4 944 B8R0.4 C(CCCN)CCCO A493194 [0,2,0,0,0,0|0,0,2]=4 945 B8R0.4 C(CCCO)CCCBr B132089 [0,2,0,0,0,0|0,0,2]=4 946 B8R0.4 C(CCCO)CCCO H136447 [0,2,0,0,0,0|0,0,2]=4 947 B8R0.4 C(CNCCCO)CO H302815 [0,2,0,0,0,0|0,0,2]=4 948 B8R0.4 C(CO)COCCCO O588346 [0,2,0,0,0,0|0,0,2]=4 949 B8R0.4 C(CO)CSCCCO T472193 [0,2,0,0,0,0|0,0,2]=4 950 B8R0.4 C=CCCCC=CCO O159909 [0,2,0,0,0,0|0,0,0]=2 951 B8R0.4 C=CCCCCCCO O159908 [0,2,0,0,0,0|0,0,2]=4 952 B8R0.4 CCC=CCCCCO C153379 [0,2,0,0,0,0|1,0,0]=3 953 B8R0.4 CCC=CCCOC=O H117494 [0,2,0,0,0,0|0,0,2]=4 954 B8R0.4 CCCCC#CCCO O159921 [0,2,0,0,0,0|0,0,2]=4 955 B8R0.4 CCCCC=CCCO C153378 [0,2,0,0,0,0|0,0,0]=2 956 B8R0.4 CCCCCC=CC=O O105936 [0,2,0,0,0,0|0,0,2]=4 957 B8R0.4 CCCCCC=CC=O O303154 [0,2,0,0,0,0|0,0,2]=4 958 B8R0.4 CCCCCC=CCO T161811 [0,2,0,0,0,0|0,0,0]=2 959 B8R0.4 CCCCCCCCO O103324 [0,2,0,0,0,0|0,0,2]=4 960 B8R0.4 CCCCCCCCO O103325 [0,2,0,0,0,0|0,0,2]=4 961 B8R0.4 CCCCCCCCO O103326 [0,2,0,0,0,0|0,0,2]=4 962 B8R0.4 CCCCCCCCO O119018 [0,2,0,0,0,0|0,0,2]=4 963 B8R0.4 CCCCCCCCO O119679 [0,2,0,0,0,0|0,0,2]=4 964 B8R0.4 CCCCCCCCO O491594 [0,2,0,0,0,0|0,0,2]=4 965 B8R0.4 CCCCCCOC=O H113684 [0,2,0,0,0,0|0,0,2]=4 966 B8R0.4 CCCCCCON=O H157340 [0,2,0,0,0,0|0,0,2]=4 967 B8R0.4 CCOCCOCCO D104410 [0,2,0,0,0,0|0,0,2]=4 968 B8R0.4 CCOCCOCCO D104411 [0,2,0,0,0,0|0,0,2]=4 969 B8R0.4 CCOCCOCCO D104412 [0,2,0,0,0,0|0,0,2]=4 970 B8R0.4 COCCCCCOC D155548 [0,2,0,0,0,0|0,0,2]=4 971 B8R0.4 COCCNCCOC B152060 [0,2,0,0,0,0|1,0,1]=4 972 B8R0.4 COCCOCCCBr M158050 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.4 COCCOCCOC M104413 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.4 COCCOCCOC M104414 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.4 COCCOCCOC M104417 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.4 COCCOCCOC M104418 [0,2,0,0,0,0|1,0,1]=4 977 B8R0.4 COCCOCCOC M104420 [0,2,0,0,0,0|1,0,1]=4 978 B8R0.4 COCCOCCOC M104422 [0,2,0,0,0,0|1,0,1]=4 979 B8R0.4 COCCOCCOC M615388 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.6 C(CCO)CC(CO)O H105564 [0,2,0,0,0,0|0,0,2]=4 981 B8R0.6 CCCC=CC(=O)OC M134288 [0,2,0,0,0,0|0,0,1]=3 982 B8R0.6 CCCCCC(=O)CC O106928 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.6 CCCCCC(=O)CC O106929 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.6 CCCCCC(C#C)O O113758 [0,2,0,0,0,0|0,0,2]=4 985 B8R0.6 CCCCCC(C=C)O O102968 [0,2,0,0,0,0|0,0,2]=4 986 B8R0.6 CCCCCC(C=C)O S463982 [0,2,0,0,0,0|0,0,2]=4 987 B8R0.6 CCCCCC(CC)O O159907 [0,2,0,0,0,0|0,0,2]=4 988 B8R0.6 CCCCNC(=O)CCl N193799 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.6 CCCCOC(=O)CC B152863 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.6 CCCCOC(=O)CCl B152888 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.6 CCCCOC(=O)CO B134012 [0,2,0,0,0,0|0,0,1]=3 992 B8R0.6 CCCCOC(=O)CO B493056 [0,2,0,0,0,0|0,0,1]=3 993 B8R0.6 CCCCOC(=O)CS B152740 [0,2,0,0,0,0|0,1,1]=4 994 B8R0.6 CCCOCC(CO)O O353306 [0,2,0,0,0,0|0,0,2]=4 995 B8R0.7 B(CCCCCC)(O)O H299977 [0,2,0,0,0,0|0,0,2]=4 996 B8R0.7 CC(C)NCCCCO I157483 [0,2,0,0,0,0|0,0,2]=4 997 B8R0.7 CCCC=CCC(=O)O H303362 [0,2,0,0,0,0|0,0,0]=2 998 B8R0.7 CCCCC=CC(=O)C O100829 [0,2,0,0,0,0|0,0,2]=4 999 B8R0.7 CCCCC=CC(=O)O H305279 [0,2,0,0,0,0|0,0,1]=3 1000 B8R0.7 CCCCCCC(=O)O H103518 [0,2,0,0,0,0|0,0,2]=4 1001 B8R0.7 CCCCCCC(=O)O H103519 [0,2,0,0,0,0|0,0,2]=4 1002 B8R0.7 CCCCCCC(=O)O H103520 [0,2,0,0,0,0|0,0,2]=4 1003 B8R0.7 CCCCCCC(=O)O H431469 [0,2,0,0,0,0|0,0,2]=4 1004 B8R0.7 CCCCCCC(C)O O111525 [0,2,0,0,0,0|0,0,2]=4 1005 B8R0.7 CCCCCCC(C)O O111526 [0,2,0,0,0,0|0,0,2]=4 1006 B8R0.7 CCCCCCC(C)O O111527 [0,2,0,0,0,0|0,0,2]=4 1007 B8R0.7 CCCCCCC(C)O O111528 [0,2,0,0,0,0|0,0,2]=4 1008 B8R0.7 CCCCCCC(C)O R160889 [0,2,0,0,0,0|0,0,2]=4 1009 B8R0.7 CCCCCCC(C)O S161171 [0,2,0,0,0,0|0,0,2]=4 1010 B8R0.7 CCCCOCC(=O)O B152317 [0,2,0,0,0,0|1,0,1]=4 1011 B8R0.7 CCCCOCC(C)O B151801 [0,2,0,0,0,0|0,0,2]=4 1012 B8R0.7 CN(C)CCOCCO D124510 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.3 CCC(C(=O)OCC)Br E110204 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.3 CCC(C(=O)OCC)N E185185 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.3 CCC(C(=O)OCC)O E156260 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.3 CCC(C)C(=O)C=CC W136042 [0,2,0,0,0,0|1,0,1]=4 1017 B8R0.3 CCC(C)C(=O)OCC E117676 [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.3 CCCC(=O)C(C)CC M158867 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.3 CCCC(C(=O)NO)N B300173 [0,2,0,0,0,0|1,0,1]=4 1020 B8R0.3 CCOC(=O)C(=C)CBr E124201 [0,2,0,0,0,0|2,0,0]=4 1021 B8R0.3 CCOC(=O)C(=C)CO E156133 [0,2,0,0,0,0|1,0,0]=3 1022 B8R0.3 CCOC(=O)C(=NO)Cl E156474 [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.3 CCOC(=O)C(=NO)N E165647 [0,2,0,0,0,0|2,0,0]=4 1024 B8R0.3 CCOC(=O)C(=O)CBr E111180 [0,2,0,0,0,0|2,0,0]=4 1025 B8R0.3 CCOC(=O)C(CO)N D188981 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.3 CCOC(=O)C(CO)N S105478 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.8 CC(C(=O)NCCO)O N158965 [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.8 CCCCC(=O)C(C)C M158862 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.8 CCCOC(=O)C(C)C P133971 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.8 CCCOC(=O)C(C)O P160122 [0,2,0,0,0,0|1,0,0]=3 1031 B8R0.9 CC(CO)OCC(C)O P103208 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.9 CC(CO)OCC(C)O P103209 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.9 CC(CO)OCC(C)O P103210 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.9 CC(CO)OCC(C)O P103211 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.9 CC(CO)OCC(C)O P103212 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.9 CC(CO)OCC(C)O P639154 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.9 CCC(=O)OCC(C)C I157498 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.11 CCCC=C(CC)C=O E156033 [0,2,0,0,0,0|1,0,0]=3 1039 B8R0.11 CCCCC(CC)CO E101075 [0,2,0,0,0,0|0,0,2]=4 1040 B8R0.11 CCCCC(CC)CO E101076 [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.11 CCCCC(CC)CO E101078 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.11 CCCCC(CC)CO E101080 [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.19 CCC(C)CC(=O)CC M158857 [0,2,0,0,0,0|1,0,1]=4 1044 B8R0.5 CCCC(=O)CC(C)C M158863 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.5 CCCC(=O)OC(C)C I157502 [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.5 CCOC(=O)CC(C)C E108583 [0,2,0,0,0,0|2,0,0]=4 1047 B8R0.5 CCOC(=O)CC(C)C E108585 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.5 CCOC(=O)CC(C)N E170814 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.5 CCOC(=O)CC(C)O E101452 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.5 CCOC(=O)CC(C)O E118391 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.5 CCOC(=O)CC(C)O E156467 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.21 CCCC=CC(C)(C)C T161772 [0,2,0,0,0,0|1,0,0]=3 1053 B8R0.28 CC(C)CCCC(C)O M157902 [0,2,0,0,0,0|0,0,2]=4 1054 B8R0.28 CC(CNCC(C)O)O D106370 [0,2,0,0,0,0|1,0,1]=4 1055 B8R0.28 CN(C)CC=CC(=O)O E177613 [0,2,0,0,0,0|1,0,1]=4 1056 B8R0.22 CCCC(CCO)SC M102904 [0,2,0,0,0,0|0,0,2]=4 1057 B6R1.1 C1C=CCC=C1 C109678 [1,0,0,1,0,0|0,0,2]=4 1058 B6R1.1 C1CC=CC=C1 C189164 [1,0,0,1,0,0|0,0,2]=4 1059 B6R1.1 C1CC=COC1 D106433 [1,0,0,1,0,0|0,0,0]=2 1060 B6R1.1 C1CCC=CC1 C112737 [1,0,0,1,0,0|0,0,0]=2 1061 B6R1.1 C1CCC=CC1 C112738 [1,0,0,1,0,0|0,0,0]=2 1062 B6R1.1 C1CCC=CC1 C118621 [1,0,0,1,0,0|0,0,0]=2 1063 B6R1.1 C1CCCCC1 C100583 [1,0,0,1,0,0|0,0,2]=4 1064 B6R1.1 C1CCCCC1 C100584 [1,0,0,1,0,0|0,0,2]=4 1065 B6R1.1 C1CCCCC1 C100585 [1,0,0,1,0,0|0,0,2]=4 1066 B6R1.1 C1CCCCC1 C100586 [1,0,0,1,0,0|0,0,2]=4 1067 B6R1.1 C1CCCCC1 C100587 [1,0,0,1,0,0|0,0,2]=4 1068 B6R1.1 C1CCCCC1 C119462 [1,0,0,1,0,0|0,0,2]=4 1069 B6R1.1 C1CCCCC1 C305176 [1,0,0,1,0,0|0,0,2]=4 1070 B6R1.1 C1CCCCC1 C431457 [1,0,0,1,0,0|0,0,2]=4 1071 B6R1.1 C1CCNCC1 P194173 [1,0,0,1,0,0|1,0,1]=4 1072 B6R1.1 C1CCNCC1 P492785 [1,0,0,1,0,0|1,0,1]=4 1073 B6R1.1 C1CCOCC1 T100998 [1,0,0,1,0,0|0,0,1]=3 1074 B6R1.1 C1CCOCC1 T298966 [1,0,0,1,0,0|0,0,1]=3 1075 B6R1.1 C1CC[NH2+]CC1 P193473 [1,0,0,1,0,0|1,0,1]=4 1076 B6R1.1 C1CNC=NC1 T132007 [1,0,0,1,0,0|2,0,0]=4 1077 B6R1.1 C1CNCC=C1 T168116 [1,0,0,1,0,0|1,0,0]=3 1078 B6R1.1 C1COC=CO1 D138969 [1,0,0,1,0,0|1,0,0]=3 1079 B6R1.1 C1COCCN1 B135840 [1,0,0,1,0,0|1,0,1]=4 1080 B6R1.1 C1COCCN1 M109058 [1,0,0,1,0,0|1,0,1]=4 1081 B6R1.1 C1COCCN1 M109059 [1,0,0,1,0,0|1,0,1]=4 1082 B6R1.1 C1COCCN1 M109060 [1,0,0,1,0,0|1,0,1]=4 1083 B6R1.1 C1COCCN1 M109061 [1,0,0,1,0,0|1,0,1]=4 1084 B6R1.1 C1COCCN1 M109062 [1,0,0,1,0,0|1,0,1]=4 1085 B6R1.1 C1COCCN1 M109063 [1,0,0,1,0,0|1,0,1]=4 1086 B6R1.1 C1COCCN1 M404758 [1,0,0,1,0,0|1,0,1]=4 1087 B6R1.1 C1COCCN1 M405755 [1,0,0,1,0,0|1,0,1]=4 1088 B6R1.1 C1COCCN1 M493696 [1,0,0,1,0,0|1,0,1]=4 1089 B6R1.1 C1COCCN1 M493905 [1,0,0,1,0,0|1,0,1]=4 1090 B6R1.1 C1COCCO1 D116156 [1,0,0,1,0,0|1,0,1]=4 1091 B6R1.1 C1COCCO1 D116157 [1,0,0,1,0,0|1,0,1]=4 1092 B6R1.1 C1COCCO1 D116158 [1,0,0,1,0,0|1,0,1]=4 1093 B6R1.1 C1COCCO1 D116159 [1,0,0,1,0,0|1,0,1]=4 1094 B6R1.1 C1COCCO1 D116160 [1,0,0,1,0,0|1,0,1]=4 1095 B6R1.1 C1COCCO1 D116161 [1,0,0,1,0,0|1,0,1]=4 1096 B6R1.1 C1COCCO1 D116162 [1,0,0,1,0,0|1,0,1]=4 1097 B6R1.1 C1COCCO1 D116163 [1,0,0,1,0,0|1,0,1]=4 1098 B6R1.1 C1COCCO1 D118381 [1,0,0,1,0,0|1,0,1]=4 1099 B6R1.1 C1COCCO1 D431641 [1,0,0,1,0,0|1,0,1]=4 1100 B6R1.1 C1COCOC1 D155920 [1,0,0,1,0,0|1,0,0]=3 1101 B6R1.1 C1CSCCO1 T161635 [1,0,0,1,0,0|1,0,1]=4 1102 B6R1.1 C1CSCSC1 D124194 [1,0,0,1,0,0|1,1,0]=4 1103 B6R1.2 C1C=CC(=O)O1 F107943 [1,0,0,1,0,0|1,0,1]=4 1104 B6R1.2 C1C=CCC1O C141167 [1,0,0,1,0,0|1,0,0]=3 1105 B6R1.2 C1CC(=N)SC1 I106793 [1,0,0,1,0,0|2,0,0]=4 1106 B6R1.2 C1CC(=N)SC1 I492458 [1,0,0,1,0,0|2,0,0]=4 1107 B6R1.2 C1CC(=NC1)N A151483 [1,0,0,1,0,0|2,0,0]=4 1108 B6R1.2 C1CC(=O)C=C1 C139450 [1,0,0,1,0,0|0,0,2]=4 1109 B6R1.2 C1CC(=O)NC1 P112692 [1,0,0,1,0,0|1,0,1]=4 1110 B6R1.2 C1CC(=O)NC1 P468968 [1,0,0,1,0,0|1,0,1]=4 1111 B6R1.2 C1CC(=O)SC1 T472178 [1,0,0,1,0,0|1,0,1]=4 1112 B6R1.2 C1CC(OC1)O H355199 [1,0,0,1,0,0|1,0,0]=3 1113 B6R1.2 C1CCC(=O)C1 C108566 [1,0,0,1,0,0|0,0,2]=4 1114 B6R1.2 C1CCC(=O)C1 C108567 [1,0,0,1,0,0|0,0,2]=4 1115 B6R1.2 C1CCC(=O)C1 C108568 [1,0,0,1,0,0|0,0,2]=4 1116 B6R1.2 C1CCC(=O)C1 C108569 [1,0,0,1,0,0|0,0,2]=4 1117 B6R1.2 C1CCC(C1)Br C105791 [1,0,0,1,0,0|1,0,1]=4 1118 B6R1.2 C1CCC(C1)Cl C153546 [1,0,0,1,0,0|1,0,1]=4 1119 B6R1.2 C1CCC(C1)F F156721 [1,0,0,1,0,0|1,0,1]=4 1120 B6R1.2 C1CCC(C1)I I167554 [1,0,0,1,0,0|1,0,1]=4 1121 B6R1.2 C1CCC(C1)N C111427 [1,0,0,1,0,0|1,0,1]=4 1122 B6R1.2 C1CCC(C1)O C110398 [1,0,0,1,0,0|0,0,1]=3 1123 B6R1.2 C1CCC(C1)S C106982 [1,0,0,1,0,0|0,1,1]=4 1124 B6R1.2 C1CNCC1O H115463 [1,0,0,1,0,0|1,0,1]=4 1125 B6R1.2 C1CNCC1O H187203 [1,0,0,1,0,0|1,0,1]=4 1126 B6R1.2 C1CNCC1O P121669 [1,0,0,1,0,0|1,0,1]=4 1127 B6R1.2 C1CNCC1O P128587 [1,0,0,1,0,0|1,0,1]=4 1128 B6R1.2 C1CNCC1O S115471 [1,0,0,1,0,0|1,0,1]=4 1129 B6R1.2 C1CNCC1O S161346 [1,0,0,1,0,0|1,0,1]=4 1130 B6R1.2 C1COCC1O H107942 [1,0,0,1,0,0|1,0,1]=4 1131 B6R1.2 C1COCC1O H110275 [1,0,0,1,0,0|1,0,1]=4 1132 B6R1.2 C1COCC1O H119958 [1,0,0,1,0,0|1,0,1]=4 1133 B6R1.2 C=C1CCCC1 M158228 [1,0,0,1,0,0|0,0,2]=4 1134 B6R1.2 CC1=CC=CO1 M110932 [1,0,0,1,0,0|0,0,2]=4 1135 B6R1.2 CC1=CC=NO1 M158646 [1,0,0,1,0,0|1,0,1]=4 1136 B6R1.2 CC1=CCCC1 M158230 [1,0,0,1,0,0|0,0,0]=2 1137 B6R1.2 CC1=NCCC1 M187405 [1,0,0,1,0,0|1,0,0]=3 1138 B6R1.2 CC1=NCCN1 M158525 [1,0,0,1,0,0|2,0,0]=4 1139 B6R1.2 CC1=NCCO1 M158497 [1,0,0,1,0,0|2,0,0]=4 1140 B6R1.2 CC1=NCCS1 M103076 [1,0,0,1,0,0|2,0,0]=4 1141 B6R1.2 CC1CCCC1 M101586 [1,0,0,1,0,0|0,0,2]=4 1142 B6R1.2 CC1CCCC1 M101587 [1,0,0,1,0,0|0,0,2]=4 1143 B6R1.2 CC1CCCC1 M101588 [1,0,0,1,0,0|0,0,2]=4 1144 B6R1.2 CC1CCCN1 M121645 [1,0,0,1,0,0|1,0,1]=4 1145 B6R1.2 CC1CCCN1 M341863 [1,0,0,1,0,0|1,0,1]=4 1146 B6R1.2 CC1CCCN1 R173510 [1,0,0,1,0,0|1,0,1]=4 1147 B6R1.2 CC1CCCN1 S589595 [1,0,0,1,0,0|1,0,1]=4 1148 B6R1.2 CC1CCCO1 M106688 [1,0,0,1,0,0|0,0,1]=3 1149 B6R1.2 CC1CCCO1 M106689 [1,0,0,1,0,0|0,0,1]=3 1150 B6R1.2 CC1CCCO1 M119683 [1,0,0,1,0,0|0,0,1]=3 1151 B6R1.2 CC1CCCO1 M298963 [1,0,0,1,0,0|0,0,1]=3 1152 B6R1.2 CC1CCCS1 M138391 [1,0,0,1,0,0|0,1,1]=4 1153 B6R1.2 CC1CCNC1 S175305 [1,0,0,1,0,0|1,0,1]=4 1154 B6R1.2 CC1CCOC1 M302425 [1,0,0,1,0,0|1,0,1]=4 1155 B6R1.2 CC1COCO1 M158513 [1,0,0,1,0,0|1,0,0]=3 1156 B6R1.2 CC1OCCO1 M157785 [1,0,0,1,0,0|1,0,1]=4 1157 B6R1.2 CN1CCCC1 M109523 [1,0,0,1,0,0|1,0,1]=4 1158 B6R1.3 C1C(O1)CCBr D302399 [1,0,0,1,0,0|1,0,1]=4 1159 B6R1.3 C1CC1CCI I176162 [1,0,0,1,0,0|1,0,1]=4 1160 B6R1.3 C1CN1CCO H157166 [1,0,0,1,0,0|1,0,1]=4 1161 B6R1.3 CCCC1CO1 E156390 [1,0,0,1,0,0|0,0,1]=3 1162 B6R1.3 COCC1CO1 G156840 [1,0,0,1,0,0|1,0,1]=4 1163 B6R1.3 COCC1CO1 R160880 [1,0,0,1,0,0|1,0,1]=4 1164 B6R1.3 COCC1CO1 S139136 [1,0,0,1,0,0|1,0,1]=4 1165 B6R1.6 C1C(CN1)CO A124078 [1,0,0,1,0,0|1,0,1]=4 1166 B6R1.6 C1C(CO1)CO O176971 [1,0,0,1,0,0|1,0,1]=4 1167 B6R1.6 C1CC(C1)CBr B119331 [1,0,0,1,0,0|1,0,1]=4 1168 B6R1.6 C1CC(C1)CN C176494 [1,0,0,1,0,0|1,0,1]=4 1169 B6R1.6 C1CC(C1)CN C176749 [1,0,0,1,0,0|1,0,1]=4 1170 B6R1.6 C1CC(C1)CO C120878 [1,0,0,1,0,0|0,0,1]=3 1171 B6R1.6 C1COC1CN S588071 [1,0,0,1,0,0|1,0,1]=4 1172 B6R1.6 C1COC1CO H157030 [1,0,0,1,0,0|1,0,1]=4 1173 B8R1.2 C#CC1=CCCCC1 E156239 [0,1,0,1,0,0|1,0,1]=4 1174 B8R1.2 C1CC(CC=C1)C#N C137925 [0,1,0,1,0,0|1,0,1]=4 1175 B8R1.2 C1CC(CC=C1)C=O C154037 [0,1,0,1,0,0|1,0,1]=4 1176 B8R1.2 C1CC(CC=C1)CO C131788 [0,1,0,1,0,0|1,0,0]=3 1177 B8R1.2 C1CC(CNC1)CO P160105 [0,1,0,1,0,0|0,0,2]=4 1178 B8R1.2 C1CC(CNC1)CO S586410 [0,1,0,1,0,0|0,0,2]=4 1179 B8R1.2 C1CC(CNC1)CO S587257 [0,1,0,1,0,0|0,0,2]=4 1180 B8R1.2 C1CC(COC1)CO O174328 [0,1,0,1,0,0|0,0,2]=4 1181 B8R1.2 C1CC(OC=C1)CO D117672 [0,1,0,1,0,0|0,0,2]=4 1182 B8R1.2 C1CCC(=CC1)C#N C153472 [0,1,0,1,0,0|1,0,1]=4 1183 B8R1.2 C1CCC(=CC1)C=O C468613 [0,1,0,1,0,0|0,0,2]=4 1184 B8R1.2 C1CCC(=NO)CC1 C109682 [0,1,0,1,0,0|1,0,1]=4 1185 B8R1.2 C1CCC(CC1)CO C106975 [0,1,0,1,0,0|0,0,2]=4 1186 B8R1.2 C1CCC(CC1)NO I169027 [0,1,0,1,0,0|0,0,2]=4 1187 B8R1.2 C1CCNC(C1)CO P124723 [0,1,0,1,0,0|0,0,2]=4 1188 B8R1.2 C1CCOC(C1)CBr B169755 [0,1,0,1,0,0|0,0,2]=4 1189 B8R1.2 C1CCOC(C1)CO T161846 [0,1,0,1,0,0|0,0,2]=4 1190 B8R1.2 C1CCOC(C1)ON T102439 [0,1,0,1,0,0|1,0,1]=4 1191 B8R1.2 C1CNCCC1CO P113833 [0,1,0,1,0,0|0,0,2]=4 1192 B8R1.2 C1COC(CN1)CN A481712 [0,1,0,1,0,0|1,0,1]=4 1193 B8R1.2 C1COC(CN1)CO M586197 [0,1,0,1,0,0|1,0,1]=4 1194 B8R1.2 C1COC(CO1)CN D586521 [0,1,0,1,0,0|1,0,1]=4 1195 B8R1.2 C1COC(CO1)CN R174405 [0,1,0,1,0,0|1,0,1]=4 1196 B8R1.2 C1COC(CO1)CN S174408 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.2 C1COC(CO1)CO S193283 [0,1,0,1,0,0|1,0,1]=4 1198 B8R1.2 C1COCC(N1)CO H179128 [0,1,0,1,0,0|1,0,1]=4 1199 B8R1.2 C1COCC(N1)CO M178522 [0,1,0,1,0,0|1,0,1]=4 1200 B8R1.2 C1COCCC1CO T161848 [0,1,0,1,0,0|0,0,2]=4 1201 B8R1.2 C=CC1CCC=CC1 V106228 [0,1,0,1,0,0|1,0,1]=4 1202 B8R1.2 CCC1COCCN1 R186382 [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.2 COC1CCC=CO1 D189144 [0,1,0,1,0,0|0,0,2]=4 1204 B8R1.2 COC1CCCCC1 M158042 [0,1,0,1,0,0|0,0,2]=4 1205 B8R1.2 COC1CCCCO1 W196195 [0,1,0,1,0,0|0,0,2]=4 1206 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,1,0,1,0,0|2,0,0]=4 1207 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,1,0,1,0,0|2,0,0]=4 1208 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,1,0,1,0,0|2,0,0]=4 1209 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,1,0,1,0,0|2,0,0]=4 1210 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,1,0,1,0,0|2,0,0]=4 1211 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,1,0,1,0,0|1,0,1]=4 1213 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,1,0,1,0,0|1,0,1]=4 1214 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,1,0,0|0,0,1]=3 1215 B8R1.5 C1CCC(C(C1)N)O A135671 [0,1,0,1,0,0|0,0,2]=4 1216 B8R1.5 C1CCC(C(C1)N)O C135782 [0,1,0,1,0,0|0,0,2]=4 1217 B8R1.5 C1CCC(C(C1)N)O I167007 [0,1,0,1,0,0|0,0,2]=4 1218 B8R1.5 C1CCC(C(C1)N)O R195900 [0,1,0,1,0,0|0,0,2]=4 1219 B8R1.5 C1CCC(C(C1)N)O S138163 [0,1,0,1,0,0|0,0,2]=4 1220 B8R1.5 C1CCC(C(C1)N)O S304528 [0,1,0,1,0,0|0,0,2]=4 1221 B8R1.5 C1CCC(C(C1)N)O S587981 [0,1,0,1,0,0|0,0,2]=4 1222 B8R1.5 C1CCC(C(C1)N)O T474337 [0,1,0,1,0,0|0,0,2]=4 1223 B8R1.5 C1CCC(C(C1)O)Cl C133236 [0,1,0,1,0,0|0,0,2]=4 1224 B8R1.5 C1CCC(C(C1)O)F F156603 [0,1,0,1,0,0|0,0,2]=4 1225 B8R1.5 C1CCC(C(C1)O)O C101651 [0,1,0,1,0,0|0,0,2]=4 1226 B8R1.5 C1CCC(C(C1)O)O C101652 [0,1,0,1,0,0|0,0,2]=4 1227 B8R1.5 C1CCC(C(C1)O)O C153336 [0,1,0,1,0,0|0,0,2]=4 1228 B8R1.5 C1CCC(C(C1)O)O C153338 [0,1,0,1,0,0|0,0,2]=4 1229 B8R1.5 C1CCC(C(C1)O)O I171071 [0,1,0,1,0,0|0,0,2]=4 1230 B8R1.5 C1COCC(C1N)O S587531 [0,1,0,1,0,0|1,0,1]=4 1231 B8R1.5 CC1CCCCC1=O M100791 [0,1,0,1,0,0|1,0,1]=4 1232 B8R1.5 CC1CCCCC1O C153331 [0,1,0,1,0,0|0,0,2]=4 1233 B8R1.5 CC1CCCCC1O M157932 [0,1,0,1,0,0|0,0,2]=4 1234 B8R1.8 C1CCC(C1)CCO C154115 [0,1,0,1,0,0|0,0,2]=4 1235 B8R1.8 C1CCN(C1)CCO H140439 [0,1,0,1,0,0|0,0,2]=4 1236 B8R1.8 C1COC(O1)CCBr B153144 [0,1,0,1,0,0|1,0,1]=4 1237 B8R1.8 C1COC(O1)CCN A151047 [0,1,0,1,0,0|1,0,1]=4 1238 B8R1.8 CCCC1=CC=CO1 P160277 [0,1,0,1,0,0|0,0,1]=3 1239 B8R1.8 CCCC1=CC=CS1 P167542 [0,1,0,1,0,0|0,1,1]=4 1240 B8R1.8 CCCC1=CSC=C1 P160669 [0,1,0,1,0,0|0,1,1]=4 1241 B8R1.8 CCCC1=NC=CN1 P135164 [0,1,0,1,0,0|1,0,1]=4 1242 B8R1.8 CCCC1=NC=CS1 P160319 [0,1,0,1,0,0|0,1,1]=4 1243 B8R1.8 CCCC1=NCCN1 P302987 [0,1,0,1,0,0|1,0,1]=4 1244 B8R1.8 CCCC1=NCCO1 P160311 [0,1,0,1,0,0|0,0,1]=3 1245 B8R1.8 CCCN1C=CN=C1 P135093 [0,1,0,1,0,0|2,0,0]=4 1246 B8R1.8 CNCC1=CC=CO1 I170508 [0,1,0,1,0,0|0,0,2]=4 1247 B8R1.8 CNCC1OCCO1 M349963 [0,1,0,1,0,0|1,0,1]=4 1248 B8R1.8 COCC1CCCN1 M121135 [0,1,0,1,0,0|1,0,1]=4 1249 B8R1.8 COCC1CCCN1 M121139 [0,1,0,1,0,0|1,0,1]=4 1250 B8R1.8 CSCC1=CC=CO1 F102908 [0,1,0,1,0,0|0,0,2]=4 1251 B8R1.11 C1CC(=C(C1)N)C#N A183484 [0,1,0,1,0,0|1,0,1]=4 1252 B8R1.11 CC1=C(N=CN1)CO H136151 [0,1,0,1,0,0|1,0,1]=4 1253 B8R1.11 CC1=C(N=CN1)CO H157127 [0,1,0,1,0,0|1,0,1]=4 1254 B8R1.11 CCN1CCCC1=O E101635 [0,1,0,1,0,0|2,0,0]=4 1255 B8R1.11 CN1C=CN=C1CO H157128 [0,1,0,1,0,0|1,0,1]=4 1256 B8R1.11 CN1CCCC1CO M303525 [0,1,0,1,0,0|0,0,2]=4 1257 B8R1.11 CN1CCCC1CO S303491 [0,1,0,1,0,0|0,0,2]=4 1258 B8R1.22 C1CC(=O)CCNC1 H121983 [0,1,0,1,0,0|1,0,1]=4 1259 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,1,0,1,0,0|0,0,2]=4 1260 B8R1.22 C1CCC(=O)NCC1 C111698 [0,1,0,1,0,0|2,0,0]=4 1261 B8R1.22 C1CCC(=O)NCC1 C111700 [0,1,0,1,0,0|2,0,0]=4 1262 B8R1.22 C1CCC(=O)OCC1 C109521 [0,1,0,1,0,0|2,0,0]=4 1263 B8R1.22 C1CCC(=O)OCC1 C398060 [0,1,0,1,0,0|2,0,0]=4 1264 B8R1.22 C1CCC(=O)OCC1 P299385 [0,1,0,1,0,0|2,0,0]=4 1265 B8R1.22 C1CCC(=O)OCC1 P398622 [0,1,0,1,0,0|2,0,0]=4 1266 B8R1.22 C1CCC(=O)OCC1 P478241 [0,1,0,1,0,0|2,0,0]=4 1267 B8R1.22 C1CCC(=O)OCC1 P485972 [0,1,0,1,0,0|2,0,0]=4 1268 B8R1.22 C1CCC(=O)OCC1 P579406 [0,1,0,1,0,0|2,0,0]=4 1269 B8R1.22 C1CCC(=S)NCC1 T140461 [0,1,0,1,0,0|2,0,0]=4 1270 B8R1.22 C1CCCC(=O)CC1 C111127 [0,1,0,1,0,0|1,0,1]=4 1271 B8R1.22 C1CCCC(CC1)O C105241 [0,1,0,1,0,0|0,0,2]=4 1272 B8R1.22 C1COCCNC1=O O189427 [0,1,0,1,0,0|1,0,1]=4 1273 B8R1.36 CCCCCC1CO1 E156381 [0,1,0,1,0,0|0,0,2]=4 1274 B8R1.49 C1CC=CCCC=C1 A118524 [0,1,0,1,0,0|1,0,1]=4 1275 B8R1.49 C1CC=CCCC=C1 B115561 [0,1,0,1,0,0|1,0,1]=4 1276 B8R1.49 C1CC=CCCC=C1 B124100 [0,1,0,1,0,0|1,0,1]=4 1277 B8R1.49 C1CC=CCCC=C1 B140876 [0,1,0,1,0,0|1,0,1]=4 1278 B8R1.49 C1CC=CCCC=C1 B169584 [0,1,0,1,0,0|1,0,1]=4 1279 B8R1.49 C1CC=CCCC=C1 B468674 [0,1,0,1,0,0|1,0,1]=4 1280 B8R1.49 C1CC=CCCC=C1 C103217 [0,1,0,1,0,0|1,0,1]=4 1281 B8R1.49 C1CC=CCCC=C1 C113573 [0,1,0,1,0,0|1,0,1]=4 1282 B8R1.49 C1CC=CCCC=C1 C119030 [0,1,0,1,0,0|1,0,1]=4 1283 B8R1.49 C1CC=CCCC=C1 C123134 [0,1,0,1,0,0|1,0,1]=4 1284 B8R1.49 C1CC=CCCC=C1 C124086 [0,1,0,1,0,0|1,0,1]=4 1285 B8R1.49 C1CC=CCCC=C1 D107564 [0,1,0,1,0,0|1,0,1]=4 1286 B8R1.49 C1CC=CCCC=C1 D107649 [0,1,0,1,0,0|1,0,1]=4 1287 B8R1.49 C1CC=CCCC=C1 D118506 [0,1,0,1,0,0|1,0,1]=4 1288 B8R1.49 C1CC=CCCC=C1 D130071 [0,1,0,1,0,0|1,0,1]=4 1289 B8R1.49 C1CC=CCCC=C1 D130073 [0,1,0,1,0,0|1,0,1]=4 1290 B8R1.49 C1CC=CCCC=C1 D299608 [0,1,0,1,0,0|1,0,1]=4 1291 B8R1.49 C1CCC=CC=CC1 C153570 [0,1,0,1,0,0|1,0,1]=4 1292 B8R1.49 C1CCC=CC=CC1 C333998 [0,1,0,1,0,0|1,0,1]=4 1293 B8R1.49 C1CCCC=CCC1 C100852 [0,1,0,1,0,0|1,0,0]=3 1294 B8R1.49 C1CCCC=CCC1 C118535 [0,1,0,1,0,0|1,0,0]=3 1295 B8R1.49 C1CCCC=CCC1 C129192 [0,1,0,1,0,0|1,0,0]=3 1296 B8R1.49 C1CCCC=CCC1 C189232 [0,1,0,1,0,0|1,0,0]=3 1297 B8R1.49 C1CCCC=CCC1 C294026 [0,1,0,1,0,0|1,0,0]=3 1298 B8R1.1 C1C(CNC1CO)O R176579 [0,1,0,1,0,0|1,0,1]=4 1299 B8R1.1 C1C(CNC1CO)O S586151 [0,1,0,1,0,0|1,0,1]=4 1300 B8R1.1 CC1=CC=C(O1)CO M189133 [0,1,0,1,0,0|0,0,2]=4 1301 B8R1.1 CC1CCC(O1)CO T346390 [0,1,0,1,0,0|0,0,2]=4 1302 B8R1.1 CCC1CCC(=O)O1 C111339 [0,1,0,1,0,0|2,0,0]=4 1303 B8R1.1 CN1C=C(C=N1)CO M172072 [0,1,0,1,0,0|2,0,0]=4 1304 B8R1.1 CN1C=CC(=N1)CO M177588 [0,1,0,1,0,0|1,0,1]=4 1305 B8R1.3 C1C(=O)C=CC(O1)O H192951 [0,1,0,1,0,0|1,0,1]=4 1306 B8R1.3 C1CC(CCC1N)O A589874 [0,1,0,1,0,0|0,0,2]=4 1307 B8R1.3 C1CC(CCC1N)O A590121 [0,1,0,1,0,0|0,0,2]=4 1308 B8R1.3 C1CC(CCC1N)O C176801 [0,1,0,1,0,0|0,0,2]=4 1309 B8R1.3 C1CC(CCC1N)O C589031 [0,1,0,1,0,0|0,0,2]=4 1310 B8R1.3 C1CC(CCC1N)O T161619 [0,1,0,1,0,0|0,0,2]=4 1311 B8R1.3 C1CC(CCC1N)O T349966 [0,1,0,1,0,0|0,0,2]=4 1312 B8R1.3 C1CC(CCC1O)O C109099 [0,1,0,1,0,0|0,0,2]=4 1313 B8R1.3 CC1CCC(=O)CC1 M106719 [0,1,0,1,0,0|1,0,1]=4 1314 B8R1.3 CC1CCC(=O)CC1 M113653 [0,1,0,1,0,0|1,0,1]=4 1315 B8R1.3 CC1CCC(CC1)O C153285 [0,1,0,1,0,0|0,0,2]=4 1316 B8R1.3 CC1CCC(CC1)O M157776 [0,1,0,1,0,0|0,0,2]=4 1317 B8R1.3 CC1CCC(CC1)O T162592 [0,1,0,1,0,0|0,0,2]=4 1318 B8R1.40 C1CC1NC(=O)CCl C587871 [0,1,0,1,0,0|2,0,0]=4 1319 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,1,0,1,0,0|2,0,0]=4 1320 B8R1.52 C1CCC(C1)(CO)N A165541 [0,1,0,1,0,0|0,0,2]=4 1321 B8R1.52 CCC1(OCCO1)C E156042 [0,1,0,1,0,0|1,0,1]=4 1322 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,1,0,1,0,0|0,0,2]=4 1323 B8R1.4 C1CC(CC(C1)O)N A401771 [0,1,0,1,0,0|0,0,2]=4 1324 B8R1.4 C1CC(CC(C1)O)O C113215 [0,1,0,1,0,0|0,0,2]=4 1325 B8R1.4 C1CNC(=O)CC1O H193522 [0,1,0,1,0,0|1,0,1]=4 1326 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,1,0,1,0,0|0,0,2]=4 1327 B8R1.4 CC1=CC(CCC1)O M168575 [0,1,0,1,0,0|0,0,0]=2 1328 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,1,0,0|0,0,1]=3 1329 B8R1.4 CC1CCCC(=O)C1 M117710 [0,1,0,1,0,0|1,0,1]=4 1330 B8R1.4 CC1CCCC(=O)C1 R472235 [0,1,0,1,0,0|1,0,1]=4 1331 B8R1.4 CC1CCCC(=O)O1 D155361 [0,1,0,1,0,0|2,0,0]=4 1332 B8R1.4 CC1CCCC(C1)O M106721 [0,1,0,1,0,0|0,0,2]=4 1333 B8R1.4 CC1CCOC(O1)C D155542 [0,1,0,1,0,0|1,0,1]=4 1334 B8R1.4 CC1CNCC(O1)C C133540 [0,1,0,1,0,0|1,0,1]=4 1335 B8R1.4 CC1CNCC(O1)C D189017 [0,1,0,1,0,0|1,0,1]=4 1336 B8R1.4 CC1CNCC(O1)C D490263 [0,1,0,1,0,0|1,0,1]=4 1337 B8R1.7 B(C1=CCCC1)(O)O C136489 [0,1,0,1,0,0|1,0,0]=3 1338 B8R1.7 C1CC=C(C1)C(=O)O C153747 [0,1,0,1,0,0|0,0,1]=3 1339 B8R1.7 CC(C)C1=[C-]CC=C1 B283047 [0,1,0,1,0,0|1,0,1]=4 1340 B8R1.7 CC(C1=CC=CO1)O R588542 [0,1,0,1,0,0|0,0,2]=4 1341 B8R1.7 CC(C1=CC=CO1)O x170274 [0,1,0,1,0,0|0,0,2]=4 1342 B8R1.7 CC(C1CCCC1)O C349965 [0,1,0,1,0,0|0,0,2]=4 1343 B8R1.35 C1CC1C=CC(=O)O C176819 [0,1,0,1,0,0|0,0,1]=3 1344 B8R1.72 CC1(CCCCC1)O M102063 [0,1,0,1,0,0|0,0,2]=4 1345 B8R1.72 CC1(CCCNC1)O M176551 [0,1,0,1,0,0|1,0,1]=4 1346 B8R1.72 CC1(CCCNC1)O M492417 [0,1,0,1,0,0|1,0,1]=4 1347 B8R1.37 CCOC(=O)C1CC1 E156138 [0,1,0,1,0,0|2,0,0]=4 1348 B8R1.37 CCOC(=O)C1CO1 E138878 [0,1,0,1,0,0|1,0,1]=4 1349 B8R2.34 C1C2CNC1CO2 R176907 [0,0,0,2,0,0|1,0,1]=4 1350 B8R2.34 C1CC2CC1C=C2 B109700 [0,0,0,2,0,0|1,0,0]=3 1351 B8R2.2 CC12CCCC1O2 M299636 [0,0,0,2,0,0|0,0,2]=4 1352 B8R2.25 C1CCC2C(C1)O2 C113792 [0,0,0,2,0,0|0,0,2]=4 1353 B8R2.25 C1COC2CC2N1 O587064 [0,0,0,2,0,0|1,0,1]=4