0 B6R0.6 C#CCCCCCl C154119 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCI I168988 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCN H586162 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCCCCO H107735 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C#CCNCC#C D139181 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 C#CCOCCI I587547 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C#CCOCCN P404874 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C#CCOCCO P189135 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C(C#N)NCC#N I111353 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C(CBr)NCCBr B184524 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 C(CBr)OCCBr B122644 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 C(CCBr)CC#N B124218 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C(CCBr)CCBr D106538 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 C(CCCl)CC#N C153827 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C(CCCl)CCBr B109691 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 C(CCCl)CCCl D105687 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 C(CCF)CCBr B303673 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 C(CCI)CCI D155300 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 C(CCN)CCN D111805 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 C(CCN)CCN D121817 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 C(CCN)CCN D283638 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.6 C(CCN)CCN D421724 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 C(CCN)CCO A107210 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.6 C(CCN)CCO A565375 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.6 C(CCO)CCBr B135090 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.6 C(CCO)CCCl C153897 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.6 C(CCO)CCO P105588 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.6 C(CCS)CCS P102332 [0,0,0,0,0,0|1,2,0]=3 28 B6R0.6 C(CCl)NCCCl B109734 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 C(CCl)OCCCl C107457 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 C(CN=[N+]=[N-])CO A464136 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.6 C(CNCCN)N D100056 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.6 C(CNCCN)N D100058 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.6 C(CNCCN)N D100059 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.6 C(CNCCN)N D301794 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.6 C(CNCCO)N H100512 [0,0,0,0,0,0|1,0,0]=1 36 B6R0.6 C(CNCCO)N H100513 [0,0,0,0,0,0|1,0,0]=1 37 B6R0.6 C(CO)NCCCl C588449 [0,0,0,0,0,0|1,0,0]=1 38 B6R0.6 C(CO)NCCO D112357 [0,0,0,0,0,0|0,0,0]=0 39 B6R0.6 C(CO)NCCO D112358 [0,0,0,0,0,0|0,0,0]=0 40 B6R0.6 C(CO)NCCO D112360 [0,0,0,0,0,0|0,0,0]=0 41 B6R0.6 C(CO)NCCO D112361 [0,0,0,0,0,0|0,0,0]=0 42 B6R0.6 C(CO)NCCO D155708 [0,0,0,0,0,0|0,0,0]=0 43 B6R0.6 C(CO)NCCO D301793 [0,0,0,0,0,0|0,0,0]=0 44 B6R0.6 C(COCCBr)O B339979 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.6 C(COCCCl)O C118686 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.6 C(COCCI)O I586943 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.6 C(COCCN)N O159975 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.6 C(COCCN)N O160013 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.6 C(COCCO)N A109910 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.6 C(COCCO)N A301832 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.6 C(COCCO)O D110831 [0,0,0,0,0,0|1,0,0]=1 52 B6R0.6 C(COCCO)O D110832 [0,0,0,0,0,0|1,0,0]=1 53 B6R0.6 C(COCCO)O D110833 [0,0,0,0,0,0|1,0,0]=1 54 B6R0.6 C(COCCO)O D110834 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.6 C(COCCO)O D476199 [0,0,0,0,0,0|1,0,0]=1 56 B6R0.6 C(CS)OCCS B152747 [0,0,0,0,0,0|1,2,0]=3 57 B6R0.6 C(CSCCS)S B152744 [0,0,0,0,0,0|1,2,0]=3 58 B6R0.6 C=CCCCCBr B122541 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.6 C=CCCCCCl C115790 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.6 C=CCCCCO H113637 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.6 C=CCNCC=C D106260 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.6 C=CCNCC=C D123284 [0,0,0,0,0,0|2,0,2]=4 63 B6R0.6 C=CCOCCO A303300 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.6 C=CCOCCO A303301 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.6 C=CCOCCO E156080 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.6 CC=CCCCO H300983 [0,0,0,0,0,0|2,0,2]=4 67 B6R0.6 CCC#CCCO H157360 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.6 CCC=CCCO C426965 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.6 CCC=CCCO H112690 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.6 CCC=CCCO L106205 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.6 CCCC#CCO H157375 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.6 CCCC=CCO C153482 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.6 CCCC=CCO H102077 [0,0,0,0,0,0|2,0,1]=3 74 B6R0.6 CCCCCC#C H100842 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.6 CCCCCC#N H157040 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.6 CCCCCC=C H110653 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.6 CCCCCC=C H110654 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.6 CCCCCC=C H110655 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.6 CCCCCC=O C109199 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.6 CCCCCC=O C109200 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.6 CCCCCCBr B105244 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.6 CCCCCCBr B471923 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.6 CCCCCCC H108102 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.6 CCCCCCC H108103 [0,0,0,0,0,0|3,0,0]=3 85 B6R0.6 CCCCCCC H108105 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.6 CCCCCCC H108108 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.6 CCCCCCC H108111 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.6 CCCCCCC H108112 [0,0,0,0,0,0|3,0,0]=3 89 B6R0.6 CCCCCCC H118382 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.6 CCCCCCC H119701 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.6 CCCCCCCl C109280 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.6 CCCCCCCl C109281 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.6 CCCCCCI I157578 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.6 CCCCCCN H105333 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.6 CCCCCCN H157035 [0,0,0,0,0,0|3,0,0]=3 96 B6R0.6 CCCCCCN H292813 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.6 CCCCCCN H491868 [0,0,0,0,0,0|3,0,0]=3 98 B6R0.6 CCCCCCO H103420 [0,0,0,0,0,0|2,0,0]=2 99 B6R0.6 CCCCCCO H103421 [0,0,0,0,0,0|2,0,0]=2 100 B6R0.6 CCCCCCO H103422 [0,0,0,0,0,0|2,0,0]=2 101 B6R0.6 CCCCCCO H103423 [0,0,0,0,0,0|2,0,0]=2 102 B6R0.6 CCCCCCO H119678 [0,0,0,0,0,0|2,0,0]=2 103 B6R0.6 CCCCCCS H100786 [0,0,0,0,0,0|2,1,0]=3 104 B6R0.6 CCCCCCS H299109 [0,0,0,0,0,0|2,1,0]=3 105 B6R0.6 CCCCCC[NH3+] H292817 [0,0,0,0,0,0|3,0,0]=3 106 B6R0.6 CCCCCC[NH3+] H492547 [0,0,0,0,0,0|3,0,0]=3 107 B6R0.6 CCCCCC[Si] H357381 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.6 CCCCCNC M124210 [0,0,0,0,0,0|4,0,0]=4 109 B6R0.6 CCCCCSC A151354 [0,0,0,0,0,0|4,0,0]=4 110 B6R0.6 CCCCNCC N158928 [0,0,0,0,0,0|4,0,0]=4 111 B6R0.6 CCCCSCC B152507 [0,0,0,0,0,0|4,0,0]=4 112 B6R0.6 CCCNCCC D100329 [0,0,0,0,0,0|2,0,0]=2 113 B6R0.6 CCCNCCC D100330 [0,0,0,0,0,0|2,0,0]=2 114 B6R0.6 CCCNCCC D154684 [0,0,0,0,0,0|2,0,0]=2 115 B6R0.6 CCCNCCC D404364 [0,0,0,0,0,0|2,0,0]=2 116 B6R0.6 CCCNCCN N336391 [0,0,0,0,0,0|2,0,0]=2 117 B6R0.6 CCCOCCC P160596 [0,0,0,0,0,0|3,0,0]=3 118 B6R0.6 CCCOCCCl C137234 [0,0,0,0,0,0|3,0,0]=3 119 B6R0.6 CCCOCCN P160362 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.6 CCCOCCO P107659 [0,0,0,0,0,0|2,0,0]=2 121 B6R0.6 CCCOCCO P299319 [0,0,0,0,0,0|2,0,0]=2 122 B6R0.6 CCCSCC=C A135608 [0,0,0,0,0,0|3,0,1]=4 123 B6R0.6 CCCSCCC D102909 [0,0,0,0,0,0|3,0,0]=3 124 B6R0.6 CCNCCCO E300231 [0,0,0,0,0,0|3,0,0]=3 125 B6R0.6 CCOCCCN E156297 [0,0,0,0,0,0|4,0,0]=4 126 B6R0.6 CCOCCCO E108059 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.6 CCSCCCO E300079 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.6 CNCCCCO M193351 [0,0,0,0,0,0|3,0,0]=3 129 B6R0.6 COCCCCBr B152834 [0,0,0,0,0,0|4,0,0]=4 130 B6R0.6 COCCCCO B152046 [0,0,0,0,0,0|3,0,0]=3 131 B6R0.6 COCOCCBr B165961 [0,0,0,0,0,0|4,0,0]=4 132 B6R0.6 CSCCCCO M468928 [0,0,0,0,0,0|3,0,0]=3 133 B5R0.2 C#CCCCCl C107731 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 C#CCCCI I465322 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.2 C#CCCCO P106295 [1,0,0,0,0,0|1,0,1]=3 136 B5R0.2 C(C#CCCl)O C166985 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.2 C(C#CCO)O B103672 [1,0,0,0,0,0|0,0,2]=3 138 B5R0.2 C(C#CCO)O B103673 [1,0,0,0,0,0|0,0,2]=3 139 B5R0.2 C(C#CCO)O B103675 [1,0,0,0,0,0|0,0,2]=3 140 B5R0.2 C(C=CCO)O B107560 [1,0,0,0,0,0|0,0,2]=3 141 B5R0.2 C(C=CCO)O B111227 [1,0,0,0,0,0|0,0,2]=3 142 B5R0.2 C(C=CCO)O T162684 [1,0,0,0,0,0|0,0,2]=3 143 B5R0.2 C(CC#N)CBr B152157 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.2 C(CC#N)CCl C102368 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.2 C(CCBr)CBr D105749 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.2 C(CCBr)CCl B109690 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.2 C(CCBr)CF B122542 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.2 C(CCBr)CN B163034 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.2 C(CCBr)CO B136242 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.2 C(CCCl)CCl D103409 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.2 C(CCCl)CO C118833 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.2 C(CCI)CCl C153542 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.2 C(CCI)CI D155304 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.2 C(CCN)CN B292804 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.2 C(CCN)CN B304967 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.2 C(CCN)CN B492953 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.2 C(CCN)CN D106194 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.2 C(CCN)CN D423441 [1,0,0,0,0,0|2,0,0]=3 159 B5R0.2 C(CCN)CN D472054 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.2 C(CCO)CN A109739 [1,0,0,0,0,0|1,0,0]=2 161 B5R0.2 C(CCO)CO B110391 [1,0,0,0,0,0|0,0,0]=1 162 B5R0.2 C(CCO)CO B110394 [1,0,0,0,0,0|0,0,0]=1 163 B5R0.2 C(CCO)CO B110395 [1,0,0,0,0,0|0,0,0]=1 164 B5R0.2 C(CCS)CO M338696 [1,0,0,0,0,0|0,1,0]=2 165 B5R0.2 C(CCS)CS B152757 [1,0,0,0,0,0|0,2,0]=3 166 B5R0.2 C(CCS)CS B419814 [1,0,0,0,0,0|0,2,0]=3 167 B5R0.2 C(CCl)OCCl C140412 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.2 C(CO)N=[N+]=[N-] A302966 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.2 C=CCCCBr B107734 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.2 C=CCCCO P103073 [1,0,0,0,0,0|1,0,1]=3 171 B5R0.2 C=COCCO E135293 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.2 CC#CCCO P160656 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.2 CCC#CCBr B136107 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.2 CCC#CCC H157357 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.2 CCC#CCO P160655 [1,0,0,0,0,0|1,0,1]=3 176 B5R0.2 CCC=CCC C153487 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.2 CCC=CCC H157267 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.2 CCC=CCC T162372 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.2 CCC=CCO C153493 [1,0,0,0,0,0|1,0,1]=3 180 B5R0.2 CCC=CCO T299958 [1,0,0,0,0,0|1,0,1]=3 181 B5R0.2 CCCC#CC H157356 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.2 CCCC=CC C153486 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.2 CCCC=CC H157262 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.2 CCCC=CC T162371 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.2 CCCC=NO B152406 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.2 CCCCC#C H106703 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.2 CCCCC#N B100431 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.2 CCCCC#N B100432 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.2 CCCCC=C H109530 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.2 CCCCC=C H109531 [1,0,0,0,0,0|2,0,1]=4 191 B5R0.2 CCCCC=C H109532 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.2 CCCCC=C H109533 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.2 CCCCC=O V103717 [1,0,0,0,0,0|1,0,2]=4 194 B5R0.2 CCCCCBr B104782 [1,0,0,0,0,0|2,0,0]=3 195 B5R0.2 CCCCCBr B305762 [1,0,0,0,0,0|2,0,0]=3 196 B5R0.2 CCCCCC H100107 [1,0,0,0,0,0|2,0,0]=3 197 B5R0.2 CCCCCC H109653 [1,0,0,0,0,0|2,0,0]=3 198 B5R0.2 CCCCCC H109654 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.2 CCCCCC H109656 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.2 CCCCCC H109659 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.2 CCCCCC H119662 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.2 CCCCCC H121283 [1,0,0,0,0,0|2,0,0]=3 203 B5R0.2 CCCCCC H140380 [1,0,0,0,0,0|2,0,0]=3 204 B5R0.2 CCCCCC H298923 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.2 CCCCCC N431441 [1,0,0,0,0,0|2,0,0]=3 206 B5R0.2 CCCCCCl C109473 [1,0,0,0,0,0|2,0,0]=3 207 B5R0.2 CCCCCCl C109474 [1,0,0,0,0,0|2,0,0]=3 208 B5R0.2 CCCCCF F171115 [1,0,0,0,0,0|2,0,0]=3 209 B5R0.2 CCCCCI I104798 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.2 CCCCCN A105343 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.2 CCCCCN P292685 [1,0,0,0,0,0|2,0,0]=3 212 B5R0.2 CCCCCN P292697 [1,0,0,0,0,0|2,0,0]=3 213 B5R0.2 CCCCCN P292701 [1,0,0,0,0,0|2,0,0]=3 214 B5R0.2 CCCCCN P494144 [1,0,0,0,0,0|2,0,0]=3 215 B5R0.2 CCCCCO N350217 [1,0,0,0,0,0|1,0,0]=2 216 B5R0.2 CCCCCO P108125 [1,0,0,0,0,0|1,0,0]=2 217 B5R0.2 CCCCCO P108126 [1,0,0,0,0,0|1,0,0]=2 218 B5R0.2 CCCCCO P108127 [1,0,0,0,0,0|1,0,0]=2 219 B5R0.2 CCCCCO P108128 [1,0,0,0,0,0|1,0,0]=2 220 B5R0.2 CCCCCO P108129 [1,0,0,0,0,0|1,0,0]=2 221 B5R0.2 CCCCCO P108130 [1,0,0,0,0,0|1,0,0]=2 222 B5R0.2 CCCCCS A100028 [1,0,0,0,0,0|1,1,0]=3 223 B5R0.2 CCCCOC B152821 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.2 CCCCON O184596 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.2 CCCCSC B152508 [1,0,0,0,0,0|3,0,0]=4 226 B5R0.2 CCCC[Sn]Cl B302420 [1,0,0,0,0,0|3,0,0]=4 227 B5R0.2 CCCNCC N159096 [1,0,0,0,0,0|1,0,0]=2 228 B5R0.2 CCCOCC E156162 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.2 CCCSCC E134963 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.2 CCCSSC M103114 [1,0,0,0,0,0|3,0,0]=4 231 B5R0.2 CCNCCN N138023 [1,0,0,0,0,0|1,0,0]=2 232 B5R0.2 CCNCCO E156112 [1,0,0,0,0,0|0,0,0]=1 233 B5R0.2 CCNCCO E301665 [1,0,0,0,0,0|0,0,0]=1 234 B5R0.2 CCNNCC D487275 [1,0,0,0,0,0|2,0,0]=3 235 B5R0.2 CCOCC=C A151091 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.2 CCOCCBr B152837 [1,0,0,0,0,0|2,0,0]=3 237 B5R0.2 CCOCCCl C153264 [1,0,0,0,0,0|2,0,0]=3 238 B5R0.2 CCOCCN E156296 [1,0,0,0,0,0|2,0,0]=3 239 B5R0.2 CCOCCO E110821 [1,0,0,0,0,0|1,0,0]=2 240 B5R0.2 CCOCCO E110822 [1,0,0,0,0,0|1,0,0]=2 241 B5R0.2 CCOCCO E118463 [1,0,0,0,0,0|1,0,0]=2 242 B5R0.2 CCSCCCl C102885 [1,0,0,0,0,0|2,0,0]=3 243 B5R0.2 CCSCCN E170901 [1,0,0,0,0,0|2,0,0]=3 244 B5R0.2 CCSCCN E300178 [1,0,0,0,0,0|2,0,0]=3 245 B5R0.2 CCSCCO E156428 [1,0,0,0,0,0|1,0,0]=2 246 B5R0.2 CCSSCC D140646 [1,0,0,0,0,0|3,0,0]=4 247 B5R0.2 CC[Se][Se]CC D155798 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.2 CNCCCN N104493 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.2 CNCCCO M133702 [1,0,0,0,0,0|2,0,0]=3 250 B5R0.2 COCCCBr B136284 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.2 COCCCCl C108061 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.2 COCCCN M134485 [1,0,0,0,0,0|3,0,0]=4 253 B5R0.2 COCCCN M587821 [1,0,0,0,0,0|3,0,0]=4 254 B5R0.2 COCCCO M107732 [1,0,0,0,0,0|2,0,0]=3 255 B5R0.2 CSCCCN M158420 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.2 CSCCCO M102967 [1,0,0,0,0,0|2,0,0]=3 257 B5R0.2 OCCCCO P487355 [1,0,0,0,0,0|0,0,0]=1 258 B7R0.1 C#CCCCCCO H135241 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.1 C(C#CC#CCO)O H156864 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.1 C(CCC#N)CCN A303171 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.1 C(CCCBr)CCBr D106541 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.1 C(CCCBr)CCCl B111196 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.1 C(CCCBr)CCF B405383 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.1 C(CCCBr)CCO B138834 [0,1,0,0,0,0|2,0,0]=3 265 B7R0.1 C(CCCBr)CCO S304692 [0,1,0,0,0,0|2,0,0]=3 266 B7R0.1 C(CCCCl)CCCl D110131 [0,1,0,0,0,0|3,0,0]=4 267 B7R0.1 C(CCCCl)CCO C109454 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.1 C(CCCI)CCCl C153665 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.1 C(CCCI)CCI D119377 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.1 C(CCCN)CCN D134228 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.1 C(CCCN)CCN H103908 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.1 C(CCCN)CCN H103909 [0,1,0,0,0,0|3,0,0]=4 273 B7R0.1 C(CCCN)CCN H103910 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.1 C(CCCO)CCN A101232 [0,1,0,0,0,0|2,0,0]=3 275 B7R0.1 C(CCCO)CCO H103707 [0,1,0,0,0,0|1,0,0]=2 276 B7R0.1 C(CCCO)CCO H103708 [0,1,0,0,0,0|1,0,0]=2 277 B7R0.1 C(CCCS)CCN A487010 [0,1,0,0,0,0|2,1,0]=4 278 B7R0.1 C(CCCS)CCO M123042 [0,1,0,0,0,0|1,1,0]=3 279 B7R0.1 C(CCCS)CCO M299208 [0,1,0,0,0,0|1,1,0]=3 280 B7R0.1 C(CCCS)CCS H106695 [0,1,0,0,0,0|1,2,0]=4 281 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.1 C(CN)CNCCO N184580 [0,1,0,0,0,0|1,0,0]=2 285 B7R0.1 C(CN)CNCCS A134805 [0,1,0,0,0,0|1,1,0]=3 286 B7R0.1 C(CNCCN)CO N159094 [0,1,0,0,0,0|1,0,0]=2 287 B7R0.1 C(CO)C=CCCO H341806 [0,1,0,0,0,0|1,0,0]=2 288 B7R0.1 C(CSSCCN)N C153647 [0,1,0,0,0,0|3,0,0]=4 289 B7R0.1 C(CSSCCN)N C424758 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.1 C(CSSCCN)N C597659 [0,1,0,0,0,0|3,0,0]=4 291 B7R0.1 C(CSSCCN)N D589340 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.1 C(CSSCCO)O B152479 [0,1,0,0,0,0|1,0,0]=2 293 B7R0.1 C(CSSCCO)O B298701 [0,1,0,0,0,0|1,0,0]=2 294 B7R0.1 C(CSSCCO)O B598951 [0,1,0,0,0,0|1,0,0]=2 295 B7R0.1 C(C[Se][Se]CCN)N D303521 [0,1,0,0,0,0|3,0,0]=4 296 B7R0.1 C=CCCCCCBr B134159 [0,1,0,0,0,0|3,0,0]=4 297 B7R0.1 C=CCCCCCO H156869 [0,1,0,0,0,0|2,0,0]=3 298 B7R0.1 C=COCCCCO T161688 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.1 C=COCCCCO T299067 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.1 CCC=CCCCO C153484 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.1 CCCC#CCCC O106927 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.1 CCCC#CCCO H157374 [0,1,0,0,0,0|2,0,0]=3 303 B7R0.1 CCCC=CCCC C153585 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.1 CCCC=CCCC T161815 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.1 CCCC=CCCO C332847 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.1 CCCCC=CCO T161435 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.1 CCCCCCC#C O109633 [0,1,0,0,0,0|3,0,0]=4 308 B7R0.1 CCCCCCC#N H156965 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.1 CCCCCCC=C O108659 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.1 CCCCCCC=C O108660 [0,1,0,0,0,0|3,0,0]=4 311 B7R0.1 CCCCCCC=O H105934 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.1 CCCCCCC=O H105935 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.1 CCCCCCCBr B109258 [0,1,0,0,0,0|3,0,0]=4 314 B7R0.1 CCCCCCCC O100577 [0,1,0,0,0,0|3,0,0]=4 315 B7R0.1 CCCCCCCC O100578 [0,1,0,0,0,0|3,0,0]=4 316 B7R0.1 CCCCCCCC O100580 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.1 CCCCCCCC O100581 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.1 CCCCCCCC O119714 [0,1,0,0,0,0|3,0,0]=4 319 B7R0.1 CCCCCCCCl C153657 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.1 CCCCCCCI I157581 [0,1,0,0,0,0|3,0,0]=4 321 B7R0.1 CCCCCCCN H113175 [0,1,0,0,0,0|3,0,0]=4 322 B7R0.1 CCCCCCCO H108210 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.1 CCCCCCCO H108211 [0,1,0,0,0,0|2,0,0]=3 324 B7R0.1 CCCCCCCO H108212 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.1 CCCCCCCS H102322 [0,1,0,0,0,0|2,1,0]=4 326 B7R0.1 CCCCCCNC N341547 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.1 CCCCCCOC H157292 [0,1,0,0,0,0|2,0,0]=3 328 B7R0.1 CCCCNCCN N159361 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.1 CCCCNCCO B140397 [0,1,0,0,0,0|1,0,0]=2 330 B7R0.1 CCCCNCCO B299088 [0,1,0,0,0,0|1,0,0]=2 331 B7R0.1 CCCCNCCS B469395 [0,1,0,0,0,0|1,1,0]=3 332 B7R0.1 CCCCOCCCl B152831 [0,1,0,0,0,0|3,0,0]=4 333 B7R0.1 CCCCOCCN B357161 [0,1,0,0,0,0|3,0,0]=4 334 B7R0.1 CCCCOCCO E110823 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.1 CCCCOCCO E110827 [0,1,0,0,0,0|2,0,0]=3 336 B7R0.1 CCCNCCCN I168897 [0,1,0,0,0,0|2,0,0]=3 337 B7R0.1 CCCNCCOC N158962 [0,1,0,0,0,0|1,0,0]=2 338 B7R0.1 CCCSSCCC D102910 [0,1,0,0,0,0|3,0,0]=4 339 B7R0.1 COCCOCCBr B152835 [0,1,0,0,0,0|2,0,0]=3 340 B7R0.1 COCCOCCI I586239 [0,1,0,0,0,0|2,0,0]=3 341 B7R0.1 COCCOCCN M122033 [0,1,0,0,0,0|2,0,0]=3 342 B7R0.1 COCCOCCO D104406 [0,1,0,0,0,0|1,0,0]=2 343 B7R0.1 COCCOCCO D104407 [0,1,0,0,0,0|1,0,0]=2 344 B7R0.1 COCCOCCO D104408 [0,1,0,0,0,0|1,0,0]=2 345 B7R0.3 C(CC(CO)O)CO P160114 [0,1,0,0,0,0|1,0,0]=2 346 B7R0.3 C=CC(=O)NCCO N159040 [0,1,0,0,0,0|1,0,2]=4 347 B7R0.3 CC(CCCN)CN M158599 [0,1,0,0,0,0|3,0,0]=4 348 B7R0.3 CC(CO)OCC#C P579546 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.3 CCC(=O)NCCO N158966 [0,1,0,0,0,0|1,0,1]=3 350 B7R0.3 CCCCC(C)CC M113650 [0,1,0,0,0,0|3,0,0]=4 351 B7R0.3 CCCCC(CC)Br B152441 [0,1,0,0,0,0|3,0,0]=4 352 B7R0.3 CCCCC(CC)O H156872 [0,1,0,0,0,0|3,0,0]=4 353 B7R0.3 CCCCC(CO)N R349958 [0,1,0,0,0,0|2,0,0]=3 354 B7R0.3 CCCCC(CO)O H108067 [0,1,0,0,0,0|2,0,0]=3 355 B7R0.3 CCCNC(C)CC N158968 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.3 CCOCC(CO)O E305267 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.3 CSCCC(CO)N D339853 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.3 CSCCC(CO)N M117138 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.3 CSCCC(CO)N S167794 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.4 B(CCCCC)(O)O N193507 [0,1,0,0,0,0|3,0,0]=4 361 B7R0.4 C(CCBr)CC(=O)O B106966 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.4 C(CCCl)CC(=O)O C153468 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.4 C(CCN)CC(=O)O A107493 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.4 C(CCN)CC(=O)O A151151 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.4 C(CCN)CC(=O)O A151349 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.4 C(CCN)CC(=O)O A491891 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.4 C(CCN)CC(=O)O A491894 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.4 C(CCO)CC(=O)[O-] H184096 [0,1,0,0,0,0|1,0,2]=4 369 B7R0.4 C(CNCC(=O)O)N A124646 [0,1,0,0,0,0|1,0,1]=3 370 B7R0.4 CC(C)COCCO E156429 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.4 CC(C)CSCCO I157607 [0,1,0,0,0,0|2,0,0]=3 372 B7R0.4 CC(C)NCCCO I157484 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.4 CC(CCCCO)O H474422 [0,1,0,0,0,0|1,0,0]=2 374 B7R0.4 CC(CNCCN)O N159095 [0,1,0,0,0,0|1,0,0]=2 375 B7R0.4 CCCCCC(=O)O H103630 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.4 CCCCCC(=O)O H103631 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.4 CCCCCC(=O)O H103632 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.4 CCCCCC(=O)O H278778 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.4 CCCCCC(=O)O H432079 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.4 CCCCCC(C)C M113649 [0,1,0,0,0,0|3,0,0]=4 381 B7R0.4 CCCCCC(C)C M406726 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.4 CCCCCC(C)N A166657 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.4 CCCCCC(C)N A421028 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.4 CCCCCC(C)N S474322 [0,1,0,0,0,0|3,0,0]=4 385 B7R0.4 CCCCCC(C)O H100747 [0,1,0,0,0,0|2,0,0]=3 386 B7R0.4 CCCCCC(C)O I137289 [0,1,0,0,0,0|2,0,0]=3 387 B7R0.4 CCCOCC(C)O P160113 [0,1,0,0,0,0|2,0,0]=3 388 B7R0.7 C(NC(=O)NCO)O B152713 [0,1,0,0,0,0|3,0,0]=4 389 B7R0.7 CC(CCO)CCO M157872 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.7 CCCC(=O)CCC H103840 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.7 CCCC(=O)CCC H103841 [0,1,0,0,0,0|3,0,0]=4 392 B7R0.7 CCCC(C)CCC M113651 [0,1,0,0,0,0|3,0,0]=4 393 B7R0.7 CCCC(CCC)N H156930 [0,1,0,0,0,0|3,0,0]=4 394 B7R0.7 CCCC(CCC)O H156873 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.7 CCCC(CCO)S M102905 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.7 CCCN(C)CCC I169711 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.7 CCOC(=O)CCO E185621 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.7 CN(CCCl)CCCl M113888 [0,1,0,0,0,0|2,0,0]=3 399 B7R0.7 CN(CCCl)CCCl M424747 [0,1,0,0,0,0|2,0,0]=3 400 B7R0.7 CN(CCN)CCN D155080 [0,1,0,0,0,0|2,0,0]=3 401 B7R0.7 CN(CCO)CCO M105602 [0,1,0,0,0,0|0,0,0]=1 402 B7R0.7 CN(CCO)CCO M105603 [0,1,0,0,0,0|0,0,0]=1 403 B7R1.1 C1CC(NC1)CN A121648 [0,0,0,1,0,0|2,0,0]=3 404 B7R1.1 C1CC(NC1)CO P106015 [0,0,0,1,0,0|1,0,0]=2 405 B7R1.1 C1CC(NC1)CO P117145 [0,0,0,1,0,0|1,0,0]=2 406 B7R1.1 C1CC(NC1)CO P133858 [0,0,0,1,0,0|1,0,0]=2 407 B7R1.1 C1CC(OC1)C=O T479472 [0,0,0,1,0,0|1,0,2]=4 408 B7R1.1 C1CC(OC1)CBr T161718 [0,0,0,1,0,0|2,0,0]=3 409 B7R1.1 C1CC(OC1)CCl T109587 [0,0,0,1,0,0|2,0,0]=3 410 B7R1.1 C1CC(OC1)CN T111157 [0,0,0,1,0,0|2,0,0]=3 411 B7R1.1 C1CC(OC1)CN T113724 [0,0,0,1,0,0|2,0,0]=3 412 B7R1.1 C1CC(OC1)CN T119768 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.1 C1CC(OC1)CO T105718 [0,0,0,1,0,0|1,0,0]=2 414 B7R1.1 C1CC(OC1)CO T105720 [0,0,0,1,0,0|1,0,0]=2 415 B7R1.1 C1CCC(C1)CBr B184164 [0,0,0,1,0,0|3,0,0]=4 416 B7R1.1 C1CCC(C1)CI I169233 [0,0,0,1,0,0|3,0,0]=4 417 B7R1.1 C1CCC(C1)CN C176870 [0,0,0,1,0,0|3,0,0]=4 418 B7R1.1 C1CCC(C1)CO C121238 [0,0,0,1,0,0|2,0,0]=3 419 B7R1.1 C1CN=C(N1)CCl C190593 [0,0,0,1,0,0|2,0,1]=4 420 B7R1.1 C1COC(O1)CBr B153145 [0,0,0,1,0,0|2,0,0]=3 421 B7R1.1 C1COC(O1)CCl C153298 [0,0,0,1,0,0|2,0,0]=3 422 B7R1.1 C1COC(O1)CN A151048 [0,0,0,1,0,0|2,0,0]=3 423 B7R1.1 C1COC(O1)CO D193991 [0,0,0,1,0,0|1,0,0]=2 424 B7R1.1 C1COCC1CO T136105 [0,0,0,1,0,0|3,0,0]=4 425 B7R1.1 C=CC1OCCO1 V472440 [0,0,0,1,0,0|2,0,1]=4 426 B7R1.1 CCC1=NCCN1 E156339 [0,0,0,1,0,0|2,0,1]=4 427 B7R1.1 CCC1=NCCO1 E137961 [0,0,0,1,0,0|1,0,2]=4 428 B7R1.1 CCC1=NCCO1 P303248 [0,0,0,1,0,0|1,0,2]=4 429 B7R1.1 CCC1=NCCO1 P432473 [0,0,0,1,0,0|1,0,2]=4 430 B7R1.1 CCC1=NCCO1 P432474 [0,0,0,1,0,0|1,0,2]=4 431 B7R1.1 CCC1CCCC1 E156243 [0,0,0,1,0,0|3,0,0]=4 432 B7R1.1 COC1OCCO1 M157786 [0,0,0,1,0,0|3,0,0]=4 433 B7R1.3 C1C(COCO1)O G141045 [0,0,0,1,0,0|3,0,0]=4 434 B7R1.3 C1CC(=O)CNC1 P301951 [0,0,0,1,0,0|1,0,2]=4 435 B7R1.3 C1CC(CNC1)F F166180 [0,0,0,1,0,0|2,0,0]=3 436 B7R1.3 C1CC(CNC1)N A119349 [0,0,0,1,0,0|2,0,0]=3 437 B7R1.3 C1CC(CNC1)N A121532 [0,0,0,1,0,0|2,0,0]=3 438 B7R1.3 C1CC(CNC1)N A121533 [0,0,0,1,0,0|2,0,0]=3 439 B7R1.3 C1CC(CNC1)N A151173 [0,0,0,1,0,0|2,0,0]=3 440 B7R1.3 C1CC(CNC1)N R586890 [0,0,0,1,0,0|2,0,0]=3 441 B7R1.3 C1CC(CNC1)O H119140 [0,0,0,1,0,0|1,0,0]=2 442 B7R1.3 C1CC(CNC1)O H119141 [0,0,0,1,0,0|1,0,0]=2 443 B7R1.3 C1CC(CNC1)O H123507 [0,0,0,1,0,0|1,0,0]=2 444 B7R1.3 C1CC(CNC1)O H123509 [0,0,0,1,0,0|1,0,0]=2 445 B7R1.3 C1CC(CNC1)O S588362 [0,0,0,1,0,0|1,0,0]=2 446 B7R1.3 C1CC(COC1)N S172896 [0,0,0,1,0,0|3,0,0]=4 447 B7R1.3 C1CC(COC1)O O175461 [0,0,0,1,0,0|2,0,0]=3 448 B7R1.3 C1CC=CC(C1)O C137053 [0,0,0,1,0,0|2,0,1]=4 449 B7R1.3 C1CCC(CC1)Br B109675 [0,0,0,1,0,0|3,0,0]=4 450 B7R1.3 C1CCC(CC1)Cl C106088 [0,0,0,1,0,0|3,0,0]=4 451 B7R1.3 C1CCC(CC1)F F156720 [0,0,0,1,0,0|3,0,0]=4 452 B7R1.3 C1CCC(CC1)I I157579 [0,0,0,1,0,0|3,0,0]=4 453 B7R1.3 C1CCC(CC1)N C103892 [0,0,0,1,0,0|3,0,0]=4 454 B7R1.3 C1CCC(CC1)N C105033 [0,0,0,1,0,0|3,0,0]=4 455 B7R1.3 C1CCC(CC1)N C105034 [0,0,0,1,0,0|3,0,0]=4 456 B7R1.3 C1CCC(CC1)N C105035 [0,0,0,1,0,0|3,0,0]=4 457 B7R1.3 C1CCC(CC1)N C105036 [0,0,0,1,0,0|3,0,0]=4 458 B7R1.3 C1CCC(CC1)N C136515 [0,0,0,1,0,0|3,0,0]=4 459 B7R1.3 C1CCC(CC1)N C405536 [0,0,0,1,0,0|3,0,0]=4 460 B7R1.3 C1CCC(CC1)N C492170 [0,0,0,1,0,0|3,0,0]=4 461 B7R1.3 C1CCC(CC1)N C492176 [0,0,0,1,0,0|3,0,0]=4 462 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,1,0,0|2,0,0]=3 463 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,1,0,0|2,0,0]=3 464 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,1,0,0|2,0,0]=3 465 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,1,0,0|2,0,0]=3 466 B7R1.3 C1CCC(CC1)S C107602 [0,0,0,1,0,0|2,1,0]=4 467 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,0,0,1,0,0|3,0,0]=4 468 B7R1.3 C1CCOC(=O)C1 V100560 [0,0,0,1,0,0|1,0,2]=4 469 B7R1.3 C1CNC(=O)CN1 P135012 [0,0,0,1,0,0|1,0,2]=4 470 B7R1.3 C1CNCCC1O H106359 [0,0,0,1,0,0|3,0,0]=4 471 B7R1.3 C1CNCCC1O H138960 [0,0,0,1,0,0|3,0,0]=4 472 B7R1.3 C1COC(=O)CO1 D122246 [0,0,0,1,0,0|1,0,2]=4 473 B7R1.3 C1COCCC1O T119338 [0,0,0,1,0,0|3,0,0]=4 474 B7R1.3 C1CSCCC1O T161724 [0,0,0,1,0,0|3,0,0]=4 475 B7R1.3 CC1CCCCC1 M103329 [0,0,0,1,0,0|3,0,0]=4 476 B7R1.3 CC1CCCCC1 M103330 [0,0,0,1,0,0|3,0,0]=4 477 B7R1.3 CC1CCCCC1 M103331 [0,0,0,1,0,0|3,0,0]=4 478 B7R1.3 CC1CCCCC1 M118385 [0,0,0,1,0,0|3,0,0]=4 479 B7R1.3 CC1CCCCC1 M119670 [0,0,0,1,0,0|3,0,0]=4 480 B7R1.3 CC1CCCCN1 I169537 [0,0,0,1,0,0|3,0,0]=4 481 B7R1.3 CC1CCCCN1 M106737 [0,0,0,1,0,0|3,0,0]=4 482 B7R1.3 CC1CCCNC1 M158771 [0,0,0,1,0,0|2,0,0]=3 483 B7R1.3 CC1CCCNC1 R588230 [0,0,0,1,0,0|2,0,0]=3 484 B7R1.3 CC1CCCNC1 S191141 [0,0,0,1,0,0|2,0,0]=3 485 B7R1.3 CC1CCOCO1 M158047 [0,0,0,1,0,0|3,0,0]=4 486 B7R1.3 CC1CNCCN1 M103218 [0,0,0,1,0,0|2,0,0]=3 487 B7R1.3 CC1CNCCN1 M120020 [0,0,0,1,0,0|2,0,0]=3 488 B7R1.3 CC1CNCCN1 R160832 [0,0,0,1,0,0|2,0,0]=3 489 B7R1.3 CC1CNCCO1 M588524 [0,0,0,1,0,0|1,0,0]=2 490 B7R1.3 CC1CNCCO1 R174894 [0,0,0,1,0,0|1,0,0]=2 491 B7R1.3 CC1CNCCO1 S172145 [0,0,0,1,0,0|1,0,0]=2 492 B7R1.3 CC1COCCN1 M193354 [0,0,0,1,0,0|3,0,0]=4 493 B7R1.3 CC1COCCN1 R160948 [0,0,0,1,0,0|3,0,0]=4 494 B7R1.3 CC1COCCN1 R177343 [0,0,0,1,0,0|3,0,0]=4 495 B7R1.3 CC1COCCN1 S176218 [0,0,0,1,0,0|3,0,0]=4 496 B7R1.3 CC1COCCN1 S189368 [0,0,0,1,0,0|3,0,0]=4 497 B7R1.3 C[Si]1CCCCO1 P107083 [0,0,0,1,0,0|2,1,0]=4 498 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,0,0,1,0,0|3,0,0]=4 499 B7R1.4 C1C(C(CN1)F)F C177782 [0,0,0,1,0,0|2,0,0]=3 500 B7R1.4 C1C(C(CN1)O)O C175295 [0,0,0,1,0,0|0,0,0]=1 501 B7R1.4 C1C(C(CN1)O)O P108071 [0,0,0,1,0,0|0,0,0]=1 502 B7R1.4 C1C(C(CN1)O)O P108072 [0,0,0,1,0,0|0,0,0]=1 503 B7R1.4 C1C(C(CN1)O)O P108073 [0,0,0,1,0,0|0,0,0]=1 504 B7R1.4 C1C(C(CN1)O)O S178122 [0,0,0,1,0,0|0,0,0]=1 505 B7R1.4 C1C(C(CO1)O)N A587267 [0,0,0,1,0,0|2,0,0]=3 506 B7R1.4 C1C(C(CO1)O)O A151297 [0,0,0,1,0,0|1,0,0]=2 507 B7R1.4 C1CC(C(C1)Br)Br T332825 [0,0,0,1,0,0|3,0,0]=4 508 B7R1.4 C1CC(C(C1)N)N C588671 [0,0,0,1,0,0|3,0,0]=4 509 B7R1.4 C1CC(C(C1)O)N A101741 [0,0,0,1,0,0|2,0,0]=3 510 B7R1.4 C1CC(C(C1)O)N A101751 [0,0,0,1,0,0|2,0,0]=3 511 B7R1.4 C1CC(C(C1)O)N A187867 [0,0,0,1,0,0|2,0,0]=3 512 B7R1.4 C1CC(C(C1)O)N C348612 [0,0,0,1,0,0|2,0,0]=3 513 B7R1.4 C1CC(C(C1)O)N I168764 [0,0,0,1,0,0|2,0,0]=3 514 B7R1.4 C1CC(C(C1)O)N R465237 [0,0,0,1,0,0|2,0,0]=3 515 B7R1.4 C1CC(C(C1)O)O I170645 [0,0,0,1,0,0|1,0,0]=2 516 B7R1.4 C1CC(C(C1)O)O T471195 [0,0,0,1,0,0|1,0,0]=2 517 B7R1.4 CC1CCCC1O B300625 [0,0,0,1,0,0|2,0,0]=3 518 B7R1.6 C1C(CN1)CCO A174496 [0,0,0,1,0,0|3,0,0]=4 519 B7R1.6 C1C(CO1)CCO O175897 [0,0,0,1,0,0|3,0,0]=4 520 B7R1.6 C1CN(C1)CCO A194559 [0,0,0,1,0,0|1,0,0]=2 521 B7R1.7 C=CCCC1CO1 E156386 [0,0,0,1,0,0|2,0,1]=4 522 B7R1.7 CCCCC1CO1 E156398 [0,0,0,1,0,0|2,0,0]=3 523 B7R1.7 CCOCC1CO1 E156388 [0,0,0,1,0,0|3,0,0]=4 524 B7R1.24 C1CCC=CCC1 C153473 [0,0,0,1,0,0|3,0,0]=4 525 B7R1.24 C1CCCCCC1 C110929 [0,0,0,1,0,0|3,0,0]=4 526 B7R1.24 C1CCCNCC1 H157403 [0,0,0,1,0,0|2,0,0]=3 527 B7R1.24 C1CCCOCC1 H157291 [0,0,0,1,0,0|2,0,0]=3 528 B7R1.24 C1CNCCNC1 H106298 [0,0,0,1,0,0|2,0,0]=3 529 B7R1.24 C1CNCCOC1 O587706 [0,0,0,1,0,0|1,0,0]=2 530 B4R0.2 C#CCCO B106249 [2,0,0,0,0,0|0,0,2]=4 531 B4R0.2 C(CBr)CBr D104777 [2,0,0,0,0,0|2,0,0]=4 532 B4R0.2 C(CBr)CBr D104778 [2,0,0,0,0,0|2,0,0]=4 533 B4R0.2 C(CCl)CBr B105780 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.2 C(CCl)CCl D109184 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.2 C(CCl)CCl D109185 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.2 C(CCl)CCl D113099 [2,0,0,0,0,0|2,0,0]=4 537 B4R0.2 C(CCl)CCl D128142 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.2 C(CCl)CCl D140761 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.2 C(CCl)CI C153543 [2,0,0,0,0,0|2,0,0]=4 540 B4R0.2 C(CF)CBr B303518 [2,0,0,0,0,0|2,0,0]=4 541 B4R0.2 C(CF)CI I184641 [2,0,0,0,0,0|2,0,0]=4 542 B4R0.2 C(CI)CI D139104 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.2 C(CN)CBr B106915 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.2 C(CN)CCl C102474 [2,0,0,0,0,0|2,0,0]=4 545 B4R0.2 C(CN)CN B151838 [2,0,0,0,0,0|2,0,0]=4 546 B4R0.2 C(CN)CN D154662 [2,0,0,0,0,0|2,0,0]=4 547 B4R0.2 C(CN)CN D155613 [2,0,0,0,0,0|2,0,0]=4 548 B4R0.2 C(CN)CN D155681 [2,0,0,0,0,0|2,0,0]=4 549 B4R0.2 C(CN)CN P103898 [2,0,0,0,0,0|2,0,0]=4 550 B4R0.2 C(CN)CN P492915 [2,0,0,0,0,0|2,0,0]=4 551 B4R0.2 C(CN)CN P494086 [2,0,0,0,0,0|2,0,0]=4 552 B4R0.2 C(CN)CO A106068 [2,0,0,0,0,0|1,0,0]=3 553 B4R0.2 C(CN)CO A106069 [2,0,0,0,0,0|1,0,0]=3 554 B4R0.2 C(CN)CO A151629 [2,0,0,0,0,0|1,0,0]=3 555 B4R0.2 C(CN)CO A299064 [2,0,0,0,0,0|1,0,0]=3 556 B4R0.2 C(CN)CS A476835 [2,0,0,0,0,0|1,1,0]=4 557 B4R0.2 C(CO)C#N H109415 [2,0,0,0,0,0|1,0,1]=4 558 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|0,0,2]=4 559 B4R0.2 C(CO)CBr B108055 [2,0,0,0,0,0|1,0,0]=3 560 B4R0.2 C(CO)CBr B140136 [2,0,0,0,0,0|1,0,0]=3 561 B4R0.2 C(CO)CCl C109471 [2,0,0,0,0,0|1,0,0]=3 562 B4R0.2 C(CO)CF F404475 [2,0,0,0,0,0|1,0,0]=3 563 B4R0.2 C(CO)CI I139105 [2,0,0,0,0,0|1,0,0]=3 564 B4R0.2 C(CO)CO P108206 [2,0,0,0,0,0|0,0,0]=2 565 B4R0.2 C(CO)CO P108207 [2,0,0,0,0,0|0,0,0]=2 566 B4R0.2 C(CO)CO P108208 [2,0,0,0,0,0|0,0,0]=2 567 B4R0.2 C(CO)CO P432773 [2,0,0,0,0,0|0,0,0]=2 568 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|0,1,0]=3 569 B4R0.2 C(CO)NN H113414 [2,0,0,0,0,0|1,0,0]=3 570 B4R0.2 C(CS)CS P100845 [2,0,0,0,0,0|0,2,0]=4 571 B4R0.2 C=CCCO B120318 [2,0,0,0,0,0|0,0,2]=4 572 B4R0.2 CC#CCO B111064 [2,0,0,0,0,0|0,0,2]=4 573 B4R0.2 CC=CCO C106252 [2,0,0,0,0,0|0,0,2]=4 574 B4R0.2 CCC#CC P160658 [2,0,0,0,0,0|1,0,1]=4 575 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|0,0,2]=4 576 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|0,0,2]=4 577 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|0,0,2]=4 578 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,0]=3 579 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,0]=3 580 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,0]=3 581 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,0]=3 582 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,0]=3 583 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,0]=3 584 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,0]=3 585 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,0]=3 586 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,0]=3 587 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,0]=3 588 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|1,0,0]=3 589 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|1,0,0]=3 590 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|1,0,0]=3 591 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|1,0,0]=3 592 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|1,0,0]=3 593 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|1,0,0]=3 594 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|1,0,0]=3 595 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|1,0,0]=3 596 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|1,0,0]=3 597 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|1,0,0]=3 598 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|1,0,0]=3 599 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|1,0,0]=3 600 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|0,0,0]=2 601 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|0,0,0]=2 602 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|0,0,0]=2 603 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|0,0,0]=2 604 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|0,0,0]=2 605 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|0,0,0]=2 606 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|0,0,0]=2 607 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|0,0,0]=2 608 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|0,0,0]=2 609 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|0,0,0]=2 610 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|0,0,0]=2 611 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|0,0,0]=2 612 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|0,0,0]=2 613 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|0,0,0]=2 614 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|0,1,0]=3 615 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|0,1,0]=3 616 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|1,0,0]=3 617 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|1,0,0]=3 618 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|0,0,1]=3 619 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|0,0,1]=3 620 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|0,0,1]=3 621 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|0,0,1]=3 622 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|0,0,1]=3 623 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|0,0,1]=3 624 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|1,0,0]=3 625 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|2,0,0]=4 626 B4R0.2 CCNC=O N159329 [2,0,0,0,0,0|0,0,2]=4 627 B4R0.2 CCNCC D110465 [2,0,0,0,0,0|0,0,0]=2 628 B4R0.2 CCNCC D110466 [2,0,0,0,0,0|0,0,0]=2 629 B4R0.2 CCNCC D110469 [2,0,0,0,0,0|0,0,0]=2 630 B4R0.2 CCNCC D110470 [2,0,0,0,0,0|0,0,0]=2 631 B4R0.2 CCNCC D154676 [2,0,0,0,0,0|0,0,0]=2 632 B4R0.2 CCNCC D155612 [2,0,0,0,0,0|0,0,0]=2 633 B4R0.2 CCNCC E102892 [2,0,0,0,0,0|0,0,0]=2 634 B4R0.2 CCNCC E102893 [2,0,0,0,0,0|0,0,0]=2 635 B4R0.2 CCOCC B104430 [2,0,0,0,0,0|1,0,0]=3 636 B4R0.2 CCOCC B104431 [2,0,0,0,0,0|1,0,0]=3 637 B4R0.2 CCOCC B299094 [2,0,0,0,0,0|1,0,0]=3 638 B4R0.2 CCOCC B431395 [2,0,0,0,0,0|1,0,0]=3 639 B4R0.2 CCOCC M345280 [2,0,0,0,0,0|1,0,0]=3 640 B4R0.2 CCOCC T189182 [2,0,0,0,0,0|1,0,0]=3 641 B4R0.2 CCOCC T498340 [2,0,0,0,0,0|1,0,0]=3 642 B4R0.2 CCOCCl C137178 [2,0,0,0,0,0|2,0,0]=4 643 B4R0.2 CCSCC C130098 [2,0,0,0,0,0|1,0,0]=3 644 B4R0.2 CCSCC D105796 [2,0,0,0,0,0|1,0,0]=3 645 B4R0.2 CC[N-]CC L283253 [2,0,0,0,0,0|0,0,1]=3 646 B4R0.2 CC[Si]CC D331180 [2,0,0,0,0,0|1,0,0]=3 647 B4R0.2 CNCC#C N467806 [2,0,0,0,0,0|1,0,1]=4 648 B4R0.2 CNCC#N M102241 [2,0,0,0,0,0|1,0,1]=4 649 B4R0.2 CNCC#N M158300 [2,0,0,0,0,0|1,0,1]=4 650 B4R0.2 CNCC=C I136680 [2,0,0,0,0,0|1,0,1]=4 651 B4R0.2 CNCCBr B589001 [2,0,0,0,0,0|1,0,0]=3 652 B4R0.2 CNCCCl M303747 [2,0,0,0,0,0|1,0,0]=3 653 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|1,0,0]=3 654 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|0,0,0]=2 655 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|0,0,0]=2 656 B4R0.2 COCCBr B139139 [2,0,0,0,0,0|2,0,0]=4 657 B4R0.2 COCCCl C108060 [2,0,0,0,0,0|2,0,0]=4 658 B4R0.2 COCCN M138018 [2,0,0,0,0,0|2,0,0]=4 659 B4R0.2 COCCN M404735 [2,0,0,0,0,0|2,0,0]=4 660 B4R0.2 COCCN M493557 [2,0,0,0,0,0|2,0,0]=4 661 B4R0.2 COCCO M102852 [2,0,0,0,0,0|1,0,0]=3 662 B4R0.2 COCCO M102853 [2,0,0,0,0,0|1,0,0]=3 663 B4R0.2 COCCO M102854 [2,0,0,0,0,0|1,0,0]=3 664 B4R0.2 COCCO M102855 [2,0,0,0,0,0|1,0,0]=3 665 B4R0.2 COCCO M102856 [2,0,0,0,0,0|1,0,0]=3 666 B4R0.2 COCCO M102857 [2,0,0,0,0,0|1,0,0]=3 667 B4R0.2 COCCO M102858 [2,0,0,0,0,0|1,0,0]=3 668 B4R0.2 COCCO M119725 [2,0,0,0,0,0|1,0,0]=3 669 B4R0.2 CSCCCl C153648 [2,0,0,0,0,0|2,0,0]=4 670 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|2,0,0]=4 671 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|2,0,0]=4 672 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|1,0,0]=3 673 B6R0.1 C(C(=O)NCO)Cl C169257 [1,1,0,0,0,0|1,0,1]=4 674 B6R0.1 C(CO)C(CO)O B105549 [1,1,0,0,0,0|0,0,0]=2 675 B6R0.1 C(CO)C(CO)O B118474 [1,1,0,0,0,0|0,0,0]=2 676 B6R0.1 C(CO)C(CO)O R472595 [1,1,0,0,0,0|0,0,0]=2 677 B6R0.1 C(CO)C(CO)O S102777 [1,1,0,0,0,0|0,0,0]=2 678 B6R0.1 CC(CCO)OC M102190 [1,1,0,0,0,0|2,0,0]=4 679 B6R0.1 CCC(C)OCC S161060 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.1 CCC(CCN)N D155073 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.1 CCCC(=O)CC H106710 [1,1,0,0,0,0|2,0,0]=4 682 B6R0.1 CCCC(C)CC M158521 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.1 CCCC(C)CO M113625 [1,1,0,0,0,0|1,0,0]=3 684 B6R0.1 CCCC(CC)Br B152444 [1,1,0,0,0,0|2,0,0]=4 685 B6R0.1 CCCC(CC)Cl C153662 [1,1,0,0,0,0|2,0,0]=4 686 B6R0.1 CCCC(CC)O H133955 [1,1,0,0,0,0|2,0,0]=4 687 B6R0.1 CCCC(CO)N D333561 [1,1,0,0,0,0|1,0,0]=3 688 B6R0.1 CCCC(CO)N I168777 [1,1,0,0,0,0|1,0,0]=3 689 B6R0.1 CCCC(CO)O P108068 [1,1,0,0,0,0|1,0,0]=3 690 B6R0.1 CCOC(=O)CO E101730 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.1 CNCC(CO)O M157918 [1,1,0,0,0,0|2,0,0]=4 692 B6R0.1 COC(=O)CCO D304149 [1,1,0,0,0,0|2,0,0]=4 693 B6R0.1 COCC(CO)O M135227 [1,1,0,0,0,0|2,0,0]=4 694 B6R0.4 B(CCCC)(O)O B101013 [1,1,0,0,0,0|2,0,0]=4 695 B6R0.4 C(CC(=O)O)CBr B106907 [1,1,0,0,0,0|1,0,1]=4 696 B6R0.4 C(CC(=O)O)CCl C134513 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.4 C(CC(=O)O)CN A104200 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.4 C(CC(=O)O)CN A293557 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.4 C(CC(=O)O)CN A424756 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.4 C(CC(=O)O)CN A468499 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.4 C(CC(=O)O)CN A472038 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.4 C(CC(=O)O)CN G276591 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.4 C(CN)C[P+](=O)O A275461 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.4 C(CO)NC(=O)N H136122 [1,1,0,0,0,0|0,0,2]=4 705 B6R0.4 C(C[N+](=O)[O-])CO N164462 [1,1,0,0,0,0|1,0,1]=4 706 B6R0.4 CC(=O)NCCN A117219 [1,1,0,0,0,0|1,0,1]=4 707 B6R0.4 CC(=O)NCCO A112970 [1,1,0,0,0,0|0,0,1]=3 708 B6R0.4 CC(=O)NCCO A112971 [1,1,0,0,0,0|0,0,1]=3 709 B6R0.4 CC(=O)NCCS N347842 [1,1,0,0,0,0|0,1,1]=4 710 B6R0.4 CC(=O)OCCO H156959 [1,1,0,0,0,0|1,0,1]=4 711 B6R0.4 CC(C)CCCBr B152440 [1,1,0,0,0,0|2,0,0]=4 712 B6R0.4 CC(C)CCCO I136441 [1,1,0,0,0,0|1,0,0]=3 713 B6R0.4 CC(C)NCC=C N339371 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.4 CC(C)NCCN N159348 [1,1,0,0,0,0|1,0,0]=3 715 B6R0.4 CC(C)NCCO I157482 [1,1,0,0,0,0|0,0,0]=2 716 B6R0.4 CC(C)NCCO I431393 [1,1,0,0,0,0|0,0,0]=2 717 B6R0.4 CC(C)OCCO I106814 [1,1,0,0,0,0|1,0,0]=3 718 B6R0.4 CC(CCCBr)Br D155307 [1,1,0,0,0,0|2,0,0]=4 719 B6R0.4 CC(CCCO)O P171240 [1,1,0,0,0,0|0,0,0]=2 720 B6R0.4 CCCCC(=O)O V108269 [1,1,0,0,0,0|1,0,1]=4 721 B6R0.4 CCCCC(=O)O V108270 [1,1,0,0,0,0|1,0,1]=4 722 B6R0.4 CCCCC(=O)O V108271 [1,1,0,0,0,0|1,0,1]=4 723 B6R0.4 CCCCC(=O)O V108272 [1,1,0,0,0,0|1,0,1]=4 724 B6R0.4 CCCCC(=O)O V302252 [1,1,0,0,0,0|1,0,1]=4 725 B6R0.4 CCCCC(C)C M158516 [1,1,0,0,0,0|2,0,0]=4 726 B6R0.4 CCCCC(C)Cl C153661 [1,1,0,0,0,0|2,0,0]=4 727 B6R0.4 CCCCC(C)N B301374 [1,1,0,0,0,0|2,0,0]=4 728 B6R0.4 CCCCC(C)O H105565 [1,1,0,0,0,0|1,0,0]=3 729 B6R0.4 CCCCC(C)O I170762 [1,1,0,0,0,0|1,0,0]=3 730 B6R0.4 CCCCC(C)O R588494 [1,1,0,0,0,0|1,0,0]=3 731 B6R0.4 CCCC[Sn](=O)O M107696 [1,1,0,0,0,0|2,0,0]=4 732 B6R0.4 CCCSC(C)C I157608 [1,1,0,0,0,0|2,0,0]=4 733 B6R0.4 CCNCC(=O)O N159193 [1,1,0,0,0,0|0,0,1]=3 734 B6R0.4 CCOCC(=O)O E156174 [1,1,0,0,0,0|1,0,1]=4 735 B6R0.4 CCOCC(C)O E110143 [1,1,0,0,0,0|1,0,0]=3 736 B6R0.4 CCSCC(=O)O E300419 [1,1,0,0,0,0|1,0,1]=4 737 B6R0.4 CN(C)CCCO D106344 [1,1,0,0,0,0|2,0,0]=4 738 B8R0.4 C#CCCCCCCO O136501 [0,2,0,0,0,0|2,0,0]=4 739 B8R0.4 C(CCCN)CCCO A493194 [0,2,0,0,0,0|2,0,0]=4 740 B8R0.4 C(CCCO)CCCBr B132089 [0,2,0,0,0,0|2,0,0]=4 741 B8R0.4 C(CCCO)CCCO H136447 [0,2,0,0,0,0|1,0,0]=3 742 B8R0.4 C(CN)CNCCCN D155042 [0,2,0,0,0,0|2,0,0]=4 743 B8R0.4 C(CNCCC#N)C#N I419708 [0,2,0,0,0,0|2,0,0]=4 744 B8R0.4 C(CNCCCO)CO H302815 [0,2,0,0,0,0|0,0,0]=2 745 B8R0.4 C(CO)COCCCO O588346 [0,2,0,0,0,0|1,0,0]=3 746 B8R0.4 C(CO)CSCCCO T472193 [0,2,0,0,0,0|1,0,0]=3 747 B8R0.4 C(COCCO)N=[N+]=[N-] A339876 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.4 C=CCCCCCCO O159908 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.4 C=COCCOCCO D155145 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.4 CCC=CCCCCO C153379 [0,2,0,0,0,0|2,0,0]=4 751 B8R0.4 CCCCC#CCCO O159921 [0,2,0,0,0,0|2,0,0]=4 752 B8R0.4 CCCCC=CCCO C153378 [0,2,0,0,0,0|2,0,0]=4 753 B8R0.4 CCCCCC=CCO T161811 [0,2,0,0,0,0|2,0,0]=4 754 B8R0.4 CCCCCCCCO O103324 [0,2,0,0,0,0|2,0,0]=4 755 B8R0.4 CCCCCCCCO O103325 [0,2,0,0,0,0|2,0,0]=4 756 B8R0.4 CCCCCCCCO O103326 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.4 CCCCCCCCO O119018 [0,2,0,0,0,0|2,0,0]=4 758 B8R0.4 CCCCCCCCO O119679 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.4 CCCCCCCCO O491594 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.4 CCCCCCOC=O H113684 [0,2,0,0,0,0|2,0,0]=4 761 B8R0.4 CCCCCCON=O H157340 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.4 CCCCNCCCC D111219 [0,2,0,0,0,0|2,0,0]=4 763 B8R0.4 CCCCNCCCC D189175 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.4 CCCCNCCCC D345139 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.4 CCCCNCCCC D404365 [0,2,0,0,0,0|2,0,0]=4 766 B8R0.4 CCCCNCCCC D404367 [0,2,0,0,0,0|2,0,0]=4 767 B8R0.4 CCCCNCCCC D431482 [0,2,0,0,0,0|2,0,0]=4 768 B8R0.4 CCCCNCCCC D494160 [0,2,0,0,0,0|2,0,0]=4 769 B8R0.4 CCOCCOCCO D104410 [0,2,0,0,0,0|1,0,0]=3 770 B8R0.4 CCOCCOCCO D104411 [0,2,0,0,0,0|1,0,0]=3 771 B8R0.4 CCOCCOCCO D104412 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.4 COCCCCCOC D155548 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.4 COCCNCCOC B152060 [0,2,0,0,0,0|0,0,0]=2 774 B8R0.4 COCCOCCCBr M158050 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.4 COCCOCCOC M104413 [0,2,0,0,0,0|1,0,0]=3 776 B8R0.4 COCCOCCOC M104414 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.4 COCCOCCOC M104417 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.4 COCCOCCOC M104418 [0,2,0,0,0,0|1,0,0]=3 779 B8R0.4 COCCOCCOC M104420 [0,2,0,0,0,0|1,0,0]=3 780 B8R0.4 COCCOCCOC M104422 [0,2,0,0,0,0|1,0,0]=3 781 B8R0.4 COCCOCCOC M615388 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.6 C(CCO)CC(CO)O H105564 [0,2,0,0,0,0|1,0,0]=3 783 B8R0.6 CCCCCC(C#C)O O113758 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.6 CCCCCC(C=C)O O102968 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.6 CCCCCC(C=C)O S463982 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.6 CCCCCC(CC)O O159907 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.6 CCCOCC(CO)O O353306 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.7 B(CCCCCC)(O)O H299977 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.7 C(CCC(=O)O)CCN A306000 [0,2,0,0,0,0|2,0,0]=4 792 B8R0.7 C(CCC(=O)O)CCN A433060 [0,2,0,0,0,0|2,0,0]=4 793 B8R0.7 C(CCC(=O)O)CCO H302536 [0,2,0,0,0,0|1,0,0]=3 794 B8R0.7 C(CCC(=O)O)CCS M292991 [0,2,0,0,0,0|1,1,0]=4 795 B8R0.7 C(CCC(=O)O)CCS M345400 [0,2,0,0,0,0|1,1,0]=4 796 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,2,0,0,0,0|1,0,1]=4 797 B8R0.7 C(CN)CNCC(=O)O N159195 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.7 C(CNCC(=O)O)C#N N159829 [0,2,0,0,0,0|1,0,1]=4 799 B8R0.7 C(COCCN)C(=O)O A412738 [0,2,0,0,0,0|2,0,0]=4 800 B8R0.7 CC(C)NCCCCO I157483 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.7 CCCCCCC(=O)O H103518 [0,2,0,0,0,0|2,0,0]=4 802 B8R0.7 CCCCCCC(=O)O H103519 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.7 CCCCCCC(=O)O H103520 [0,2,0,0,0,0|2,0,0]=4 804 B8R0.7 CCCCCCC(=O)O H431469 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.7 CCCCCCC(C)O O111525 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.7 CCCCCCC(C)O O111526 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.7 CCCCCCC(C)O O111527 [0,2,0,0,0,0|2,0,0]=4 808 B8R0.7 CCCCCCC(C)O O111528 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.7 CCCCCCC(C)O R160889 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.7 CCCCCCC(C)O S161171 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.7 CCCCOCC(C)O B151801 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.7 CN(C)CCOCCO D124510 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.7 COCCOCC(=O)O M138320 [0,2,0,0,0,0|1,0,1]=4 814 B8R0.8 CC(C(=O)NCCO)O N158965 [0,2,0,0,0,0|0,0,1]=3 815 B8R0.9 CC(CO)OCC(C)O P103208 [0,2,0,0,0,0|1,0,0]=3 816 B8R0.9 CC(CO)OCC(C)O P103209 [0,2,0,0,0,0|1,0,0]=3 817 B8R0.9 CC(CO)OCC(C)O P103210 [0,2,0,0,0,0|1,0,0]=3 818 B8R0.9 CC(CO)OCC(C)O P103211 [0,2,0,0,0,0|1,0,0]=3 819 B8R0.9 CC(CO)OCC(C)O P103212 [0,2,0,0,0,0|1,0,0]=3 820 B8R0.9 CC(CO)OCC(C)O P639154 [0,2,0,0,0,0|1,0,0]=3 821 B8R0.11 CCCCC(CC)CO E101075 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.11 CCCCC(CC)CO E101076 [0,2,0,0,0,0|2,0,0]=4 823 B8R0.11 CCCCC(CC)CO E101078 [0,2,0,0,0,0|2,0,0]=4 824 B8R0.11 CCCCC(CC)CO E101080 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.19 CCC(C)NC(C)CC D108054 [0,2,0,0,0,0|2,0,0]=4 826 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [0,2,0,0,0,0|0,0,2]=4 827 B8R0.28 CC(C)CCCC(C)O M157902 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.28 CC(C)CNCC(C)C D108052 [0,2,0,0,0,0|2,0,0]=4 829 B8R0.28 CC(C)CNCC(C)C D154696 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.28 CC(CNCC(C)O)O D106370 [0,2,0,0,0,0|0,0,0]=2 831 B8R0.22 C(CO)N(CCO)N=O N159088 [0,2,0,0,0,0|0,0,0]=2 832 B8R0.22 C(CO)N(CCO)N=O N345148 [0,2,0,0,0,0|0,0,0]=2 833 B8R0.22 CCCC(CCO)SC M102904 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.22 CCCN(CC)CCC N159018 [0,2,0,0,0,0|2,0,0]=4 835 B8R0.22 CCCN(CCC)C=O D124598 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.22 CCCN(CCC)N=O N114392 [0,2,0,0,0,0|2,0,0]=4 837 B8R0.22 CCCN(CCC)N=O N118829 [0,2,0,0,0,0|2,0,0]=4 838 B8R0.22 CCN(CCO)CCO N138207 [0,2,0,0,0,0|0,0,0]=2 839 B8R0.30 C(CS(=O)(=O)CCO)O S192356 [0,2,0,0,0,0|1,0,0]=3 840 B6R1.1 C1CC=COC1 D106433 [1,0,0,1,0,0|1,0,1]=4 841 B6R1.1 C1CCC=CC1 C112737 [1,0,0,1,0,0|2,0,0]=4 842 B6R1.1 C1CCC=CC1 C112738 [1,0,0,1,0,0|2,0,0]=4 843 B6R1.1 C1CCC=CC1 C118621 [1,0,0,1,0,0|2,0,0]=4 844 B6R1.1 C1CCCCC1 C100583 [1,0,0,1,0,0|2,0,0]=4 845 B6R1.1 C1CCCCC1 C100584 [1,0,0,1,0,0|2,0,0]=4 846 B6R1.1 C1CCCCC1 C100585 [1,0,0,1,0,0|2,0,0]=4 847 B6R1.1 C1CCCCC1 C100586 [1,0,0,1,0,0|2,0,0]=4 848 B6R1.1 C1CCCCC1 C100587 [1,0,0,1,0,0|2,0,0]=4 849 B6R1.1 C1CCCCC1 C119462 [1,0,0,1,0,0|2,0,0]=4 850 B6R1.1 C1CCCCC1 C305176 [1,0,0,1,0,0|2,0,0]=4 851 B6R1.1 C1CCCCC1 C431457 [1,0,0,1,0,0|2,0,0]=4 852 B6R1.1 C1CCNCC1 P194173 [1,0,0,1,0,0|1,0,0]=3 853 B6R1.1 C1CCNCC1 P492785 [1,0,0,1,0,0|1,0,0]=3 854 B6R1.1 C1CCOCC1 T100998 [1,0,0,1,0,0|1,0,0]=3 855 B6R1.1 C1CCOCC1 T298966 [1,0,0,1,0,0|1,0,0]=3 856 B6R1.1 C1CC[NH2+]CC1 P193473 [1,0,0,1,0,0|1,0,1]=4 857 B6R1.1 C1CNCC=C1 T168116 [1,0,0,1,0,0|1,0,1]=4 858 B6R1.1 C1CNCCN1 P105274 [1,0,0,1,0,0|1,0,0]=3 859 B6R1.1 C1CNCCN1 P105279 [1,0,0,1,0,0|1,0,0]=3 860 B6R1.1 C1CNCCN1 P105280 [1,0,0,1,0,0|1,0,0]=3 861 B6R1.1 C1CNCCN1 P160640 [1,0,0,1,0,0|1,0,0]=3 862 B6R1.1 C1CNCCN1 P160723 [1,0,0,1,0,0|1,0,0]=3 863 B6R1.1 C1CNCCN1 P160724 [1,0,0,1,0,0|1,0,0]=3 864 B6R1.1 C1CNCCN1 P189055 [1,0,0,1,0,0|1,0,0]=3 865 B6R1.1 C1CNCCN1 P494142 [1,0,0,1,0,0|1,0,0]=3 866 B6R1.1 C1COCCN1 B135840 [1,0,0,1,0,0|0,0,0]=2 867 B6R1.1 C1COCCN1 M109058 [1,0,0,1,0,0|0,0,0]=2 868 B6R1.1 C1COCCN1 M109059 [1,0,0,1,0,0|0,0,0]=2 869 B6R1.1 C1COCCN1 M109060 [1,0,0,1,0,0|0,0,0]=2 870 B6R1.1 C1COCCN1 M109061 [1,0,0,1,0,0|0,0,0]=2 871 B6R1.1 C1COCCN1 M109062 [1,0,0,1,0,0|0,0,0]=2 872 B6R1.1 C1COCCN1 M109063 [1,0,0,1,0,0|0,0,0]=2 873 B6R1.1 C1COCCN1 M404758 [1,0,0,1,0,0|0,0,0]=2 874 B6R1.1 C1COCCN1 M405755 [1,0,0,1,0,0|0,0,0]=2 875 B6R1.1 C1COCCN1 M493696 [1,0,0,1,0,0|0,0,0]=2 876 B6R1.1 C1COCCN1 M493905 [1,0,0,1,0,0|0,0,0]=2 877 B6R1.1 C1COCCO1 D116156 [1,0,0,1,0,0|1,0,0]=3 878 B6R1.1 C1COCCO1 D116157 [1,0,0,1,0,0|1,0,0]=3 879 B6R1.1 C1COCCO1 D116158 [1,0,0,1,0,0|1,0,0]=3 880 B6R1.1 C1COCCO1 D116159 [1,0,0,1,0,0|1,0,0]=3 881 B6R1.1 C1COCCO1 D116160 [1,0,0,1,0,0|1,0,0]=3 882 B6R1.1 C1COCCO1 D116161 [1,0,0,1,0,0|1,0,0]=3 883 B6R1.1 C1COCCO1 D116162 [1,0,0,1,0,0|1,0,0]=3 884 B6R1.1 C1COCCO1 D116163 [1,0,0,1,0,0|1,0,0]=3 885 B6R1.1 C1COCCO1 D118381 [1,0,0,1,0,0|1,0,0]=3 886 B6R1.1 C1COCCO1 D431641 [1,0,0,1,0,0|1,0,0]=3 887 B6R1.1 C1COCOC1 D155920 [1,0,0,1,0,0|2,0,0]=4 888 B6R1.1 C1CSCCN1 T111124 [1,0,0,1,0,0|0,1,0]=3 889 B6R1.1 C1CSCCO1 T161635 [1,0,0,1,0,0|1,0,0]=3 890 B6R1.1 C1CSCCS1 D140294 [1,0,0,1,0,0|1,1,0]=4 891 B6R1.2 C1C=CCC1O C141167 [1,0,0,1,0,0|1,0,1]=4 892 B6R1.2 C1CC(OC1)O H355199 [1,0,0,1,0,0|0,0,0]=2 893 B6R1.2 C1CCC(C1)Br C105791 [1,0,0,1,0,0|2,0,0]=4 894 B6R1.2 C1CCC(C1)Cl C153546 [1,0,0,1,0,0|2,0,0]=4 895 B6R1.2 C1CCC(C1)F F156721 [1,0,0,1,0,0|2,0,0]=4 896 B6R1.2 C1CCC(C1)I I167554 [1,0,0,1,0,0|2,0,0]=4 897 B6R1.2 C1CCC(C1)N C111427 [1,0,0,1,0,0|2,0,0]=4 898 B6R1.2 C1CCC(C1)O C110398 [1,0,0,1,0,0|1,0,0]=3 899 B6R1.2 C1CCC(C1)S C106982 [1,0,0,1,0,0|1,1,0]=4 900 B6R1.2 C1CNCC1=O P176320 [1,0,0,1,0,0|0,0,2]=4 901 B6R1.2 C1CNCC1Br B166798 [1,0,0,1,0,0|1,0,0]=3 902 B6R1.2 C1CNCC1F I167099 [1,0,0,1,0,0|1,0,0]=3 903 B6R1.2 C1CNCC1F I167100 [1,0,0,1,0,0|1,0,0]=3 904 B6R1.2 C1CNCC1N A128215 [1,0,0,1,0,0|1,0,0]=3 905 B6R1.2 C1CNCC1N R115472 [1,0,0,1,0,0|1,0,0]=3 906 B6R1.2 C1CNCC1N S115473 [1,0,0,1,0,0|1,0,0]=3 907 B6R1.2 C1CNCC1O H115463 [1,0,0,1,0,0|0,0,0]=2 908 B6R1.2 C1CNCC1O H187203 [1,0,0,1,0,0|0,0,0]=2 909 B6R1.2 C1CNCC1O P121669 [1,0,0,1,0,0|0,0,0]=2 910 B6R1.2 C1CNCC1O P128587 [1,0,0,1,0,0|0,0,0]=2 911 B6R1.2 C1CNCC1O S115471 [1,0,0,1,0,0|0,0,0]=2 912 B6R1.2 C1CNCC1O S161346 [1,0,0,1,0,0|0,0,0]=2 913 B6R1.2 C1COC(=O)N1 O133460 [1,0,0,1,0,0|0,0,2]=4 914 B6R1.2 C1COC(=S)N1 B301323 [1,0,0,1,0,0|0,1,1]=4 915 B6R1.2 C1COCC1Br B175379 [1,0,0,1,0,0|2,0,0]=4 916 B6R1.2 C1COCC1I I172597 [1,0,0,1,0,0|2,0,0]=4 917 B6R1.2 C1COCC1N A120073 [1,0,0,1,0,0|2,0,0]=4 918 B6R1.2 C1COCC1N I165729 [1,0,0,1,0,0|2,0,0]=4 919 B6R1.2 C1COCC1N S135580 [1,0,0,1,0,0|2,0,0]=4 920 B6R1.2 C1COCC1N T123495 [1,0,0,1,0,0|2,0,0]=4 921 B6R1.2 C1COCC1O H107942 [1,0,0,1,0,0|1,0,0]=3 922 B6R1.2 C1COCC1O H110275 [1,0,0,1,0,0|1,0,0]=3 923 B6R1.2 C1COCC1O H119958 [1,0,0,1,0,0|1,0,0]=3 924 B6R1.2 CC1=NCCN1 M158525 [1,0,0,1,0,0|1,0,1]=4 925 B6R1.2 CC1=NCCO1 M158497 [1,0,0,1,0,0|0,0,2]=4 926 B6R1.2 CC1CCCC1 M101586 [1,0,0,1,0,0|2,0,0]=4 927 B6R1.2 CC1CCCC1 M101587 [1,0,0,1,0,0|2,0,0]=4 928 B6R1.2 CC1CCCC1 M101588 [1,0,0,1,0,0|2,0,0]=4 929 B6R1.2 CC1CCCN1 M121645 [1,0,0,1,0,0|1,0,0]=3 930 B6R1.2 CC1CCCN1 M341863 [1,0,0,1,0,0|1,0,0]=3 931 B6R1.2 CC1CCCN1 R173510 [1,0,0,1,0,0|1,0,0]=3 932 B6R1.2 CC1CCCN1 S589595 [1,0,0,1,0,0|1,0,0]=3 933 B6R1.2 CC1CCCO1 M106688 [1,0,0,1,0,0|1,0,0]=3 934 B6R1.2 CC1CCCO1 M106689 [1,0,0,1,0,0|1,0,0]=3 935 B6R1.2 CC1CCCO1 M119683 [1,0,0,1,0,0|1,0,0]=3 936 B6R1.2 CC1CCCO1 M298963 [1,0,0,1,0,0|1,0,0]=3 937 B6R1.2 CC1CCCS1 M138391 [1,0,0,1,0,0|1,1,0]=4 938 B6R1.2 CC1CCNC1 S175305 [1,0,0,1,0,0|1,0,0]=3 939 B6R1.2 CC1CCOC1 M302425 [1,0,0,1,0,0|2,0,0]=4 940 B6R1.2 CC1COCO1 M158513 [1,0,0,1,0,0|2,0,0]=4 941 B6R1.2 CC1OCCO1 M157785 [1,0,0,1,0,0|1,0,0]=3 942 B6R1.2 [CH2-]C1OCCO1 D465905 [1,0,0,1,0,0|1,0,1]=4 943 B6R1.3 C1C(O1)CCBr D302399 [1,0,0,1,0,0|1,0,0]=3 944 B6R1.3 C1CC1CCI I176162 [1,0,0,1,0,0|2,0,0]=4 945 B6R1.3 C1CN1CCO H157166 [1,0,0,1,0,0|0,0,0]=2 946 B6R1.3 CCCC1CO1 E156390 [1,0,0,1,0,0|1,0,0]=3 947 B6R1.3 COCC1CO1 G156840 [1,0,0,1,0,0|2,0,0]=4 948 B6R1.3 COCC1CO1 R160880 [1,0,0,1,0,0|2,0,0]=4 949 B6R1.3 COCC1CO1 S139136 [1,0,0,1,0,0|2,0,0]=4 950 B6R1.6 C1C(CN1)CO A124078 [1,0,0,1,0,0|2,0,0]=4 951 B6R1.6 C1C(CO1)CO O176971 [1,0,0,1,0,0|2,0,0]=4 952 B6R1.6 C1CC(C1)CBr B119331 [1,0,0,1,0,0|2,0,0]=4 953 B6R1.6 C1CC(C1)CN C176494 [1,0,0,1,0,0|2,0,0]=4 954 B6R1.6 C1CC(C1)CN C176749 [1,0,0,1,0,0|2,0,0]=4 955 B6R1.6 C1CC(C1)CO C120878 [1,0,0,1,0,0|1,0,0]=3 956 B6R1.6 C1COC1CN S588071 [1,0,0,1,0,0|1,0,0]=3 957 B6R1.6 C1COC1CO H157030 [1,0,0,1,0,0|0,0,0]=2 958 B8R1.2 C1CC(CNC1)CN A151610 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.2 C1CC(CNC1)CO P160105 [0,1,0,1,0,0|1,0,0]=3 960 B8R1.2 C1CC(CNC1)CO S586410 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.2 C1CC(CNC1)CO S587257 [0,1,0,1,0,0|1,0,0]=3 962 B8R1.2 C1CC(COC1)CO O174328 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.2 C1CC(OC=C1)CO D117672 [0,1,0,1,0,0|1,0,1]=4 964 B8R1.2 C1CCC(CC1)CO C106975 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.2 C1CCC(CC1)NO I169027 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.2 C1CCNC(C1)CN P132846 [0,1,0,1,0,0|2,0,0]=4 967 B8R1.2 C1CCNC(C1)CO P124723 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.2 C1CCOC(C1)CBr B169755 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.2 C1CCOC(C1)CO T161846 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.2 C1CCOC(C1)ON T102439 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.2 C1CNCCC1CO P113833 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.2 C1COC(CN1)CN A481712 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.2 C1COC(CN1)CO M586197 [0,1,0,1,0,0|0,0,0]=2 974 B8R1.2 C1COC(CO1)CN D586521 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.2 C1COC(CO1)CN R174405 [0,1,0,1,0,0|2,0,0]=4 976 B8R1.2 C1COC(CO1)CN S174408 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.2 C1COC(CO1)CO S193283 [0,1,0,1,0,0|1,0,0]=3 978 B8R1.2 C1COCC(N1)CO H179128 [0,1,0,1,0,0|0,0,0]=2 979 B8R1.2 C1COCC(N1)CO M178522 [0,1,0,1,0,0|0,0,0]=2 980 B8R1.2 C1COCCC1CO T161848 [0,1,0,1,0,0|2,0,0]=4 981 B8R1.2 CCC1CCCCN1 E156420 [0,1,0,1,0,0|2,0,0]=4 982 B8R1.2 CCC1CCCCN1 S467334 [0,1,0,1,0,0|2,0,0]=4 983 B8R1.2 CCC1COCCN1 R186382 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.2 CNC1CCCNC1 M124375 [0,1,0,1,0,0|2,0,0]=4 985 B8R1.2 COC1CCCCC1 M158042 [0,1,0,1,0,0|2,0,0]=4 986 B8R1.2 COC1CCCCO1 W196195 [0,1,0,1,0,0|1,0,0]=3 987 B8R1.5 C1C(C(CSS1)O)O T330725 [0,1,0,1,0,0|1,0,0]=3 988 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,1,0,0|1,0,1]=4 989 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,1,0,0|1,0,1]=4 990 B8R1.5 C1CCC(C(C1)N)O A135671 [0,1,0,1,0,0|2,0,0]=4 991 B8R1.5 C1CCC(C(C1)N)O C135782 [0,1,0,1,0,0|2,0,0]=4 992 B8R1.5 C1CCC(C(C1)N)O I167007 [0,1,0,1,0,0|2,0,0]=4 993 B8R1.5 C1CCC(C(C1)N)O R195900 [0,1,0,1,0,0|2,0,0]=4 994 B8R1.5 C1CCC(C(C1)N)O S138163 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.5 C1CCC(C(C1)N)O S304528 [0,1,0,1,0,0|2,0,0]=4 996 B8R1.5 C1CCC(C(C1)N)O S587981 [0,1,0,1,0,0|2,0,0]=4 997 B8R1.5 C1CCC(C(C1)N)O T474337 [0,1,0,1,0,0|2,0,0]=4 998 B8R1.5 C1CCC(C(C1)O)Cl C133236 [0,1,0,1,0,0|2,0,0]=4 999 B8R1.5 C1CCC(C(C1)O)F F156603 [0,1,0,1,0,0|2,0,0]=4 1000 B8R1.5 C1CCC(C(C1)O)O C101651 [0,1,0,1,0,0|1,0,0]=3 1001 B8R1.5 C1CCC(C(C1)O)O C101652 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.5 C1CCC(C(C1)O)O C153336 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.5 C1CCC(C(C1)O)O C153338 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.5 C1CCC(C(C1)O)O I171071 [0,1,0,1,0,0|1,0,0]=3 1005 B8R1.5 C1COC(C(O1)Cl)Cl T162496 [0,1,0,1,0,0|2,0,0]=4 1006 B8R1.5 C1COC(C(O1)O)O D154497 [0,1,0,1,0,0|1,0,0]=3 1007 B8R1.5 C1COCC(C1N)O S587531 [0,1,0,1,0,0|2,0,0]=4 1008 B8R1.5 CC1CCCCC1O C153331 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.5 CC1CCCCC1O M157932 [0,1,0,1,0,0|2,0,0]=4 1010 B8R1.5 CC1CNCCC1=O M589544 [0,1,0,1,0,0|1,0,1]=4 1011 B8R1.5 CC1CNCCN1C R176969 [0,1,0,1,0,0|2,0,0]=4 1012 B8R1.8 C1CC(OC1)CC#N T161719 [0,1,0,1,0,0|2,0,0]=4 1013 B8R1.8 C1CCC(C1)CCO C154115 [0,1,0,1,0,0|2,0,0]=4 1014 B8R1.8 C1CCN(C1)CCCl C139223 [0,1,0,1,0,0|2,0,0]=4 1015 B8R1.8 C1CCN(C1)CCN A121650 [0,1,0,1,0,0|2,0,0]=4 1016 B8R1.8 C1CCN(C1)CCN P405662 [0,1,0,1,0,0|2,0,0]=4 1017 B8R1.8 C1CCN(C1)CCO H140439 [0,1,0,1,0,0|1,0,0]=3 1018 B8R1.8 C1COC(O1)CCBr B153144 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.8 C1COC(O1)CCN A151047 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.8 CCCC1=NCCN1 P302987 [0,1,0,1,0,0|2,0,0]=4 1021 B8R1.8 CCCC1=NCCO1 P160311 [0,1,0,1,0,0|1,0,1]=4 1022 B8R1.8 CNCC1OCCO1 M349963 [0,1,0,1,0,0|2,0,0]=4 1023 B8R1.8 COCC1CCCN1 M121135 [0,1,0,1,0,0|1,0,0]=3 1024 B8R1.8 COCC1CCCN1 M121139 [0,1,0,1,0,0|1,0,0]=3 1025 B8R1.11 CN1CCCC1CO M303525 [0,1,0,1,0,0|1,0,0]=3 1026 B8R1.11 CN1CCCC1CO S303491 [0,1,0,1,0,0|1,0,0]=3 1027 B8R1.22 C1CC(=O)CCNC1 H121983 [0,1,0,1,0,0|1,0,1]=4 1028 B8R1.22 C1CCC(=O)OCC1 C109521 [0,1,0,1,0,0|1,0,1]=4 1029 B8R1.22 C1CCC(=O)OCC1 C398060 [0,1,0,1,0,0|1,0,1]=4 1030 B8R1.22 C1CCC(=O)OCC1 P299385 [0,1,0,1,0,0|1,0,1]=4 1031 B8R1.22 C1CCC(=O)OCC1 P398622 [0,1,0,1,0,0|1,0,1]=4 1032 B8R1.22 C1CCC(=O)OCC1 P478241 [0,1,0,1,0,0|1,0,1]=4 1033 B8R1.22 C1CCC(=O)OCC1 P485972 [0,1,0,1,0,0|1,0,1]=4 1034 B8R1.22 C1CCC(=O)OCC1 P579406 [0,1,0,1,0,0|1,0,1]=4 1035 B8R1.22 C1CCCC(CC1)O C105241 [0,1,0,1,0,0|2,0,0]=4 1036 B8R1.22 C1COCCNC1=O O189427 [0,1,0,1,0,0|1,0,1]=4 1037 B8R1.22 CN1CCCNCC1 M138837 [0,1,0,1,0,0|2,0,0]=4 1038 B8R1.36 C1CC1NCCC#N C171087 [0,1,0,1,0,0|2,0,0]=4 1039 B8R1.36 CCCCCC1CO1 E156381 [0,1,0,1,0,0|2,0,0]=4 1040 B8R1.36 CCCNCC1CC1 N300667 [0,1,0,1,0,0|2,0,0]=4 1041 B8R1.49 C1CCCNCCC1 H157012 [0,1,0,1,0,0|2,0,0]=4 1042 B8R1.1 C1C(CNC1CO)O R176579 [0,1,0,1,0,0|0,0,0]=2 1043 B8R1.1 C1C(CNC1CO)O S586151 [0,1,0,1,0,0|0,0,0]=2 1044 B8R1.1 C1CC(=O)NC1CO H103185 [0,1,0,1,0,0|1,0,1]=4 1045 B8R1.1 C1CC(=O)NC1CO H103186 [0,1,0,1,0,0|1,0,1]=4 1046 B8R1.1 CC1CCC(O1)CO T346390 [0,1,0,1,0,0|1,0,0]=3 1047 B8R1.3 C1C(OCC(O1)O)O G168832 [0,1,0,1,0,0|1,0,0]=3 1048 B8R1.3 C1C(SCC(S1)O)O D103137 [0,1,0,1,0,0|1,1,0]=4 1049 B8R1.3 C1CC(=O)NCC1O H191838 [0,1,0,1,0,0|1,0,1]=4 1050 B8R1.3 C1CC(CCC1N)O A589874 [0,1,0,1,0,0|2,0,0]=4 1051 B8R1.3 C1CC(CCC1N)O A590121 [0,1,0,1,0,0|2,0,0]=4 1052 B8R1.3 C1CC(CCC1N)O C176801 [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.3 C1CC(CCC1N)O C589031 [0,1,0,1,0,0|2,0,0]=4 1054 B8R1.3 C1CC(CCC1N)O T161619 [0,1,0,1,0,0|2,0,0]=4 1055 B8R1.3 C1CC(CCC1N)O T349966 [0,1,0,1,0,0|2,0,0]=4 1056 B8R1.3 C1CC(CCC1O)O C109099 [0,1,0,1,0,0|2,0,0]=4 1057 B8R1.3 CC1CCC(CC1)O C153285 [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.3 CC1CCC(CC1)O M157776 [0,1,0,1,0,0|2,0,0]=4 1059 B8R1.3 CC1CCC(CC1)O T162592 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.3 CC1CNC(CN1)C T138605 [0,1,0,1,0,0|2,0,0]=4 1061 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,1,0,1,0,0|1,0,1]=4 1062 B8R1.52 C1CCC(C1)(CO)N A165541 [0,1,0,1,0,0|2,0,0]=4 1063 B8R1.52 CCC1(OCCO1)C E156042 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.4 C1CC(CC(C1)O)N A401771 [0,1,0,1,0,0|2,0,0]=4 1065 B8R1.4 C1CC(CC(C1)O)O C113215 [0,1,0,1,0,0|1,0,0]=3 1066 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,1,0,0|2,0,0]=4 1067 B8R1.4 CC1CC(CNC1)C D137845 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.4 CC1CC(CNC1)C R587256 [0,1,0,1,0,0|2,0,0]=4 1069 B8R1.4 CC1CCCC(C1)O M106721 [0,1,0,1,0,0|2,0,0]=4 1070 B8R1.4 CC1CN(CCN1)C S586446 [0,1,0,1,0,0|2,0,0]=4 1071 B8R1.4 CC1CNCC(N1)C D110130 [0,1,0,1,0,0|2,0,0]=4 1072 B8R1.4 CC1CNCC(N1)C D131702 [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.4 CC1CNCC(N1)C S587517 [0,1,0,1,0,0|2,0,0]=4 1074 B8R1.4 CC1CNCC(O1)C C133540 [0,1,0,1,0,0|1,0,0]=3 1075 B8R1.4 CC1CNCC(O1)C D189017 [0,1,0,1,0,0|1,0,0]=3 1076 B8R1.4 CC1CNCC(O1)C D490263 [0,1,0,1,0,0|1,0,0]=3 1077 B8R1.4 CN1CCCC(C1)N M178062 [0,1,0,1,0,0|2,0,0]=4 1078 B8R1.4 CN1CCCC(C1)N R172190 [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.4 CN1CCCC(C1)N S590641 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.7 C1CC(NC1)C(=O)O D423511 [0,1,0,1,0,0|1,0,1]=4 1081 B8R1.7 C1CC(NC1)C(=O)O L421729 [0,1,0,1,0,0|1,0,1]=4 1082 B8R1.7 C1CC(NC1)C(=O)O P105590 [0,1,0,1,0,0|1,0,1]=4 1083 B8R1.7 C1CC(NC1)C(=O)O P108709 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.7 C1CC(NC1)C(=O)O P111001 [0,1,0,1,0,0|1,0,1]=4 1085 B8R1.7 C1CC(NC1)C(=O)O P120032 [0,1,0,1,0,0|1,0,1]=4 1086 B8R1.7 C1CC(NC1)C(=O)O P140375 [0,1,0,1,0,0|1,0,1]=4 1087 B8R1.7 C1CC(NC1)C(=O)O P477766 [0,1,0,1,0,0|1,0,1]=4 1088 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,1,0,1,0,0|1,0,1]=4 1089 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,1,0,1,0,0|1,0,1]=4 1090 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,1,0,1,0,0|1,0,1]=4 1091 B8R1.7 C1CSC(N1)C(=O)O T162356 [0,1,0,1,0,0|0,1,1]=4 1092 B8R1.7 CC(C1CCCC1)O C349965 [0,1,0,1,0,0|2,0,0]=4 1093 B8R1.72 C1CC(CNC1)(F)F W136180 [0,1,0,1,0,0|2,0,0]=4 1094 B8R1.72 CC1(CCCCC1)O M102063 [0,1,0,1,0,0|2,0,0]=4 1095 B8R1.72 CC1(CCCNC1)O M176551 [0,1,0,1,0,0|1,0,0]=3 1096 B8R1.72 CC1(CCCNC1)O M492417 [0,1,0,1,0,0|1,0,0]=3 1097 B8R2.34 C1C2CNC1CO2 R176907 [0,0,0,2,0,0|1,0,0]=3 1098 B8R2.34 C1CC2CC1CN2 A483103 [0,0,0,2,0,0|2,0,0]=4 1099 B8R2.34 C1CC2CCC1N2 A175977 [0,0,0,2,0,0|2,0,0]=4 1100 B8R2.2 CC12CCCC1O2 M299636 [0,0,0,2,0,0|2,0,0]=4 1101 B8R2.25 C1CCC2C(C1)O2 C113792 [0,0,0,2,0,0|2,0,0]=4 1102 B8R2.25 C1COC2CC2N1 O587064 [0,0,0,2,0,0|1,0,0]=3