0 B8R0.4 C#CCCCCCCO O136501 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 C(CCCBr)CCCBr D106496 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 C(CCCN)CCCN D111099 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.4 C(CCCN)CCCO A493194 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.4 C(CCCO)CCCBr B132089 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.4 C(CCCO)CCCO H136447 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.4 C(CN)CNCCCN D155042 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.4 C(CNCCCO)CO H302815 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.4 C(CO)COCCCO O588346 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.4 C(CO)CSCCCO T472193 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.4 C(COCCCCl)CCl B194288 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.4 C=CCCCC=CCO O159909 [0,0,0,0,0,0|0,0,4]=4 12 B8R0.4 C=CCCCCCCO O159908 [0,0,0,0,0,0|0,0,4]=4 13 B8R0.4 CCC=CCCCCO C153379 [0,0,0,0,0,0|0,0,4]=4 14 B8R0.4 CCCCC#CCCO O159921 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.4 CCCCC=CCCO C153378 [0,0,0,0,0,0|0,0,0]=0 16 B8R0.4 CCCCCC#CCC N159650 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.4 CCCCCC#CCCl C154112 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.4 CCCCCC=CC=O O105936 [0,0,0,0,0,0|0,0,4]=4 19 B8R0.4 CCCCCC=CC=O O303154 [0,0,0,0,0,0|0,0,4]=4 20 B8R0.4 CCCCCC=CCO T161811 [0,0,0,0,0,0|0,0,2]=2 21 B8R0.4 CCCCCCCC#C N100831 [0,0,0,0,0,0|1,0,3]=4 22 B8R0.4 CCCCCCCC=C N109555 [0,0,0,0,0,0|1,0,3]=4 23 B8R0.4 CCCCCCCC=C N110481 [0,0,0,0,0,0|1,0,3]=4 24 B8R0.4 CCCCCCCC=O O106930 [0,0,0,0,0,0|0,0,4]=4 25 B8R0.4 CCCCCCCC=O O106931 [0,0,0,0,0,0|0,0,4]=4 26 B8R0.4 CCCCCCCC=O O345608 [0,0,0,0,0,0|0,0,4]=4 27 B8R0.4 CCCCCCCCBr B105260 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.4 CCCCCCCCC N103391 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.4 CCCCCCCCC N103392 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.4 CCCCCCCCC N103393 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.4 CCCCCCCCC N119711 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.4 CCCCCCCCCl C111401 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.4 CCCCCCCCCl C111402 [0,0,0,0,0,0|1,0,2]=3 34 B8R0.4 CCCCCCCCF F170468 [0,0,0,0,0,0|1,0,2]=3 35 B8R0.4 CCCCCCCCI I157580 [0,0,0,0,0,0|1,0,2]=3 36 B8R0.4 CCCCCCCCN N159007 [0,0,0,0,0,0|1,0,2]=3 37 B8R0.4 CCCCCCCCN N159690 [0,0,0,0,0,0|1,0,2]=3 38 B8R0.4 CCCCCCCCN O110545 [0,0,0,0,0,0|1,0,2]=3 39 B8R0.4 CCCCCCCCN O110546 [0,0,0,0,0,0|1,0,2]=3 40 B8R0.4 CCCCCCCCN O491873 [0,0,0,0,0,0|1,0,2]=3 41 B8R0.4 CCCCCCCCN O492190 [0,0,0,0,0,0|1,0,2]=3 42 B8R0.4 CCCCCCCCO O103324 [0,0,0,0,0,0|0,0,2]=2 43 B8R0.4 CCCCCCCCO O103325 [0,0,0,0,0,0|0,0,2]=2 44 B8R0.4 CCCCCCCCO O103326 [0,0,0,0,0,0|0,0,2]=2 45 B8R0.4 CCCCCCCCO O119018 [0,0,0,0,0,0|0,0,2]=2 46 B8R0.4 CCCCCCCCO O119679 [0,0,0,0,0,0|0,0,2]=2 47 B8R0.4 CCCCCCCCO O491594 [0,0,0,0,0,0|0,0,2]=2 48 B8R0.4 CCCCCCCCS O105587 [0,0,0,0,0,0|0,1,2]=3 49 B8R0.4 CCCCCCCC[CH2-] N332405 [0,0,0,0,0,0|1,0,2]=3 50 B8R0.4 CCCCCCCC[NH3+] N290338 [0,0,0,0,0,0|1,0,2]=3 51 B8R0.4 CCCCCCCSC H157103 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.4 CCCCNCCCC D111219 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.4 CCCCNCCCC D189175 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.4 CCCCNCCCC D345139 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.4 CCCCNCCCC D404365 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.4 CCCCNCCCC D404367 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.4 CCCCNCCCC D431482 [0,0,0,0,0,0|2,0,1]=3 58 B8R0.4 CCCCNCCCC D494160 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.4 CCCCOCCC#N B152448 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.4 CCCCOCCCC B110451 [0,0,0,0,0,0|2,0,1]=3 61 B8R0.4 CCCCOCCCC B110452 [0,0,0,0,0,0|2,0,1]=3 62 B8R0.4 CCCCOCCCC B110453 [0,0,0,0,0,0|2,0,1]=3 63 B8R0.4 CCCCOCCCC B119693 [0,0,0,0,0,0|2,0,1]=3 64 B8R0.4 CCCCOCCCC B194104 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.4 CCCCOCCCN B152034 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.4 CCCCSCCCC B136661 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.4 CCOCCOCCO D104410 [0,0,0,0,0,0|2,0,1]=3 68 B8R0.4 CCOCCOCCO D104411 [0,0,0,0,0,0|2,0,1]=3 69 B8R0.4 CCOCCOCCO D104412 [0,0,0,0,0,0|2,0,1]=3 70 B8R0.4 COCCOCCCBr M158050 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.1 C#CCCCCCO H135241 [1,0,0,0,0,0|0,0,3]=4 72 B7R0.1 C(CCCBr)CCBr D106541 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.1 C(CCCBr)CCCl B111196 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.1 C(CCCBr)CCF B405383 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.1 C(CCCBr)CCO B138834 [1,0,0,0,0,0|1,0,1]=3 76 B7R0.1 C(CCCBr)CCO S304692 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.1 C(CCCCl)CCCl D110131 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.1 C(CCCCl)CCO C109454 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.1 C(CCCI)CCCl C153665 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.1 C(CCCI)CCI D119377 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.1 C(CCCN)CCN D134228 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.1 C(CCCN)CCN H103908 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.1 C(CCCN)CCN H103909 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.1 C(CCCN)CCN H103910 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.1 C(CCCO)CCN A101232 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.1 C(CCCO)CCO H103707 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.1 C(CCCO)CCO H103708 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.1 C(CCCS)CCN A487010 [1,0,0,0,0,0|1,1,1]=4 89 B7R0.1 C(CCCS)CCO M123042 [1,0,0,0,0,0|1,0,1]=3 90 B7R0.1 C(CCCS)CCO M299208 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.1 C(CCCS)CCS H106695 [1,0,0,0,0,0|1,1,1]=4 92 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.1 C(CN)CNCCO N184580 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.1 C(CN)CNCCS A134805 [1,0,0,0,0,0|2,1,0]=4 97 B7R0.1 C(CNCCN)CO N159094 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.1 C(CO)C=CCCO H341806 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.1 C(CSSCCO)O B152479 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.1 C(CSSCCO)O B298701 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.1 C(CSSCCO)O B598951 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.1 C=CCCCCCO H156869 [1,0,0,0,0,0|0,0,3]=4 103 B7R0.1 CCC=CCCC=O C154040 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.1 CCC=CCCCO C153484 [1,0,0,0,0,0|1,0,0]=2 105 B7R0.1 CCCC#CCCC O106927 [1,0,0,0,0,0|0,0,3]=4 106 B7R0.1 CCCC#CCCO H157374 [1,0,0,0,0,0|0,0,2]=3 107 B7R0.1 CCCC=CCCC C153585 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.1 CCCC=CCCC T161815 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.1 CCCC=CCCO C332847 [1,0,0,0,0,0|0,0,0]=1 110 B7R0.1 CCCCC=CC=O T161484 [1,0,0,0,0,0|0,0,2]=3 111 B7R0.1 CCCCC=CCC C153584 [1,0,0,0,0,0|0,0,0]=1 112 B7R0.1 CCCCC=CCC T161817 [1,0,0,0,0,0|0,0,0]=1 113 B7R0.1 CCCCC=CCO T161435 [1,0,0,0,0,0|0,0,0]=1 114 B7R0.1 CCCCCC=CC C153583 [1,0,0,0,0,0|0,0,2]=3 115 B7R0.1 CCCCCC=CC O159996 [1,0,0,0,0,0|0,0,2]=3 116 B7R0.1 CCCCCC=CC T161814 [1,0,0,0,0,0|0,0,2]=3 117 B7R0.1 CCCCCCC#C O109633 [1,0,0,0,0,0|1,0,2]=4 118 B7R0.1 CCCCCCC#N H156965 [1,0,0,0,0,0|1,0,2]=4 119 B7R0.1 CCCCCCC=C O108659 [1,0,0,0,0,0|1,0,2]=4 120 B7R0.1 CCCCCCC=C O108660 [1,0,0,0,0,0|1,0,2]=4 121 B7R0.1 CCCCCCC=O H105934 [1,0,0,0,0,0|0,0,3]=4 122 B7R0.1 CCCCCCC=O H105935 [1,0,0,0,0,0|0,0,3]=4 123 B7R0.1 CCCCCCCBr B109258 [1,0,0,0,0,0|1,0,1]=3 124 B7R0.1 CCCCCCCC O100577 [1,0,0,0,0,0|0,0,2]=3 125 B7R0.1 CCCCCCCC O100578 [1,0,0,0,0,0|0,0,2]=3 126 B7R0.1 CCCCCCCC O100580 [1,0,0,0,0,0|0,0,2]=3 127 B7R0.1 CCCCCCCC O100581 [1,0,0,0,0,0|0,0,2]=3 128 B7R0.1 CCCCCCCC O119714 [1,0,0,0,0,0|0,0,2]=3 129 B7R0.1 CCCCCCCCl C153657 [1,0,0,0,0,0|1,0,1]=3 130 B7R0.1 CCCCCCCI I157581 [1,0,0,0,0,0|1,0,1]=3 131 B7R0.1 CCCCCCCN H113175 [1,0,0,0,0,0|1,0,1]=3 132 B7R0.1 CCCCCCCO H108210 [1,0,0,0,0,0|0,0,1]=2 133 B7R0.1 CCCCCCCO H108211 [1,0,0,0,0,0|0,0,1]=2 134 B7R0.1 CCCCCCCO H108212 [1,0,0,0,0,0|0,0,1]=2 135 B7R0.1 CCCCCCCS H102322 [1,0,0,0,0,0|0,1,1]=3 136 B7R0.1 CCCCCCNC N341547 [1,0,0,0,0,0|1,0,2]=4 137 B7R0.1 CCCCCCOC H157292 [1,0,0,0,0,0|1,0,2]=4 138 B7R0.1 CCCCNCCN N159361 [1,0,0,0,0,0|2,0,0]=3 139 B7R0.1 CCCCNCCO B140397 [1,0,0,0,0,0|1,0,0]=2 140 B7R0.1 CCCCNCCO B299088 [1,0,0,0,0,0|1,0,0]=2 141 B7R0.1 CCCCNCCS B469395 [1,0,0,0,0,0|1,1,0]=3 142 B7R0.1 CCCCOCC=C A151096 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.1 CCCCOCCCl B152831 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.1 CCCCOCCN B357161 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.1 CCCCOCCO E110823 [1,0,0,0,0,0|1,0,0]=2 146 B7R0.1 CCCCOCCO E110827 [1,0,0,0,0,0|1,0,0]=2 147 B7R0.1 CCCNCCCN I168897 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.1 CCCNCCOC N158962 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.1 CCCSSCCC D102910 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.1 CCNCCNCC N159359 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.1 CCOCCOCC E103986 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.1 CCOCCOCC E103987 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.1 CCOCCOCC E103989 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.1 COCCOCCBr B152835 [1,0,0,0,0,0|3,0,0]=4 155 B7R0.1 COCCOCCI I586239 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.1 COCCOCCN M122033 [1,0,0,0,0,0|3,0,0]=4 157 B7R0.1 COCCOCCO D104406 [1,0,0,0,0,0|2,0,0]=3 158 B7R0.1 COCCOCCO D104407 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.1 COCCOCCO D104408 [1,0,0,0,0,0|2,0,0]=3 160 B9R0.2 B(C=CCCCCC)(O)O E334496 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.2 CC(C)NCCCCCO I157485 [0,1,0,0,0,0|1,0,2]=4 162 B9R0.2 CCCC=CCOC(=O)C H117236 [0,1,0,0,0,0|2,0,1]=4 163 B9R0.2 CCCCCC=CC(=O)O T162199 [0,1,0,0,0,0|0,0,3]=4 164 B9R0.2 CCCCCC=CC(=O)O T422289 [0,1,0,0,0,0|0,0,3]=4 165 B9R0.2 CCCCCCCC(=O)O N421038 [0,1,0,0,0,0|0,0,3]=4 166 B9R0.2 CCCCCCCC(=O)O O108276 [0,1,0,0,0,0|0,0,3]=4 167 B9R0.2 CCCCCCCC(=O)O O108277 [0,1,0,0,0,0|0,0,3]=4 168 B9R0.2 CCCCCCCC(=O)O O108278 [0,1,0,0,0,0|0,0,3]=4 169 B9R0.2 CCCCCCCC(=O)O O108279 [0,1,0,0,0,0|0,0,3]=4 170 B9R0.2 CCCCCCCC(=O)O O431649 [0,1,0,0,0,0|0,0,3]=4 171 B9R0.2 CCCCCCCC(=O)O R113304 [0,1,0,0,0,0|0,0,3]=4 172 B9R0.2 CCCCCCCC(C)C M158518 [0,1,0,0,0,0|1,0,2]=4 173 B9R0.2 CCCCCCCC(C)C M406711 [0,1,0,0,0,0|1,0,2]=4 174 B9R0.2 CCCCCCCC(C)O N159697 [0,1,0,0,0,0|0,0,2]=3 175 B9R0.2 CCCCCCCC(C)O N298586 [0,1,0,0,0,0|0,0,2]=3 176 B9R0.2 CN(C)CCCCCCO D133261 [0,1,0,0,0,0|1,0,2]=4 177 B9R0.5 CCCC=CC(=O)OCC E117526 [0,1,0,0,0,0|2,0,1]=4 178 B9R0.5 CCCCCC(=O)CCC N158991 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.5 CCCCCC(=O)OCC E103497 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.5 CCCCCC(=O)OCC E103498 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.5 CCCCCC(=O)OCC E103499 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.5 CCCCCC(C)CCC M158520 [0,1,0,0,0,0|1,0,2]=4 183 B9R0.5 CCCCOC(=O)CC#N B133488 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.5 CCCCOC(=O)CCC B103463 [0,1,0,0,0,0|2,0,0]=3 185 B9R0.5 CCCCOC(=O)CCC B103464 [0,1,0,0,0,0|2,0,0]=3 186 B9R0.5 CCCCOC(=O)CCS B340486 [0,1,0,0,0,0|1,1,0]=3 187 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.18 CCCCC(=O)CCCC N102321 [0,1,0,0,0,0|1,0,1]=3 189 B9R0.18 CCCCC(C)CCCC M158523 [0,1,0,0,0,0|1,0,2]=4 190 B9R0.18 CCCCC(CCCC)O N159700 [0,1,0,0,0,0|1,0,2]=4 191 B9R0.18 CCCCN(C)CCCC I169712 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.18 CCCCN(C)CCCC N494461 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.18 CCCCS(=O)CCCC D155298 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.18 CCCC[Sn](=O)CCCC D112984 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.18 CCCOC(=O)OCCC D107452 [0,1,0,0,0,0|3,0,0]=4 196 B9R0.45 C(CCCCBr)CCCBr D106497 [0,1,0,0,0,0|1,0,2]=4 197 B9R0.45 C(CCCCBr)CCCO B153197 [0,1,0,0,0,0|0,0,2]=3 198 B9R0.45 C(CCCCBr)CCCO B467865 [0,1,0,0,0,0|0,0,2]=3 199 B9R0.45 C(CCCCCl)CCCCl D155002 [0,1,0,0,0,0|1,0,2]=4 200 B9R0.45 C(CCCCCl)CCCO C134369 [0,1,0,0,0,0|0,0,2]=3 201 B9R0.45 C(CCCCI)CCCI D155008 [0,1,0,0,0,0|1,0,2]=4 202 B9R0.45 C(CCCCI)CCCI D473785 [0,1,0,0,0,0|1,0,2]=4 203 B9R0.45 C(CCCCN)CCCN D106924 [0,1,0,0,0,0|1,0,2]=4 204 B9R0.45 C(CCCCN)CCCN O292851 [0,1,0,0,0,0|1,0,2]=4 205 B9R0.45 C(CCCCN)CCCN O492961 [0,1,0,0,0,0|1,0,2]=4 206 B9R0.45 C(CCCCO)CCCN A151057 [0,1,0,0,0,0|0,0,2]=3 207 B9R0.45 C(CCCCO)CCCO O106925 [0,1,0,0,0,0|0,0,2]=3 208 B9R0.45 C(CCCCS)CCCS O109630 [0,1,0,0,0,0|0,1,2]=4 209 B9R0.45 C(CCNCCCN)CN N136556 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.45 C(CCNCCCN)CN N493987 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.45 C(CCNCCCN)CN S107071 [0,1,0,0,0,0|2,0,1]=4 212 B9R0.45 C(CCNCCCN)CN S416439 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.45 C(CCNCCCN)CN S421040 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.45 C(CNCCO)NCCO N140386 [0,1,0,0,0,0|2,0,1]=4 215 B9R0.45 C(COCCOCCBr)O B339878 [0,1,0,0,0,0|2,0,1]=4 216 B9R0.45 C(COCCOCCCl)O C133890 [0,1,0,0,0,0|2,0,1]=4 217 B9R0.45 C(COCCOCCO)N H122187 [0,1,0,0,0,0|2,0,1]=4 218 B9R0.45 C(COCCOCCO)O P486555 [0,1,0,0,0,0|2,0,1]=4 219 B9R0.45 C(COCCOCCO)O T110408 [0,1,0,0,0,0|2,0,1]=4 220 B9R0.45 C(COCCOCCO)O T110409 [0,1,0,0,0,0|2,0,1]=4 221 B9R0.45 C(CSCCSCCO)O D108026 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.45 C=CCCC=CCCC=C D155267 [0,1,0,0,0,0|1,0,2]=4 223 B9R0.45 CCC=CCC=CCCO N117490 [0,1,0,0,0,0|0,0,1]=2 224 B9R0.45 CCC=CCCC=CCO T162747 [0,1,0,0,0,0|0,0,3]=4 225 B9R0.45 CCC=CCCCCCO N117508 [0,1,0,0,0,0|0,0,3]=4 226 B9R0.45 CCCCC#CCCCC D155794 [0,1,0,0,0,0|1,0,2]=4 227 B9R0.45 CCCCC=CC=CC=O N102611 [0,1,0,0,0,0|0,0,3]=4 228 B9R0.45 CCCCC=CCCCC C153572 [0,1,0,0,0,0|1,0,0]=2 229 B9R0.45 CCCCCC#CCCO N159701 [0,1,0,0,0,0|0,0,2]=3 230 B9R0.45 CCCCCC=CCCO C153389 [0,1,0,0,0,0|0,0,0]=1 231 B9R0.45 CCCCCCC=CCO C153388 [0,1,0,0,0,0|0,0,2]=3 232 B9R0.45 CCCCCCC=CCO T162746 [0,1,0,0,0,0|0,0,2]=3 233 B9R0.45 CCCCCCCCC#C D301987 [0,1,0,0,0,0|1,0,2]=4 234 B9R0.45 CCCCCCCCC#N N158917 [0,1,0,0,0,0|1,0,2]=4 235 B9R0.45 CCCCCCCCC=C D106872 [0,1,0,0,0,0|1,0,2]=4 236 B9R0.45 CCCCCCCCC=C D106873 [0,1,0,0,0,0|1,0,2]=4 237 B9R0.45 CCCCCCCCC=O N111142 [0,1,0,0,0,0|0,0,3]=4 238 B9R0.45 CCCCCCCCCBr B105786 [0,1,0,0,0,0|1,0,2]=4 239 B9R0.45 CCCCCCCCCC D105229 [0,1,0,0,0,0|1,0,2]=4 240 B9R0.45 CCCCCCCCCC D105230 [0,1,0,0,0,0|1,0,2]=4 241 B9R0.45 CCCCCCCCCC D105231 [0,1,0,0,0,0|1,0,2]=4 242 B9R0.45 CCCCCCCCCC D105232 [0,1,0,0,0,0|1,0,2]=4 243 B9R0.45 CCCCCCCCCC D119691 [0,1,0,0,0,0|1,0,2]=4 244 B9R0.45 CCCCCCCCCCl C153658 [0,1,0,0,0,0|1,0,2]=4 245 B9R0.45 CCCCCCCCCI I157582 [0,1,0,0,0,0|1,0,2]=4 246 B9R0.45 CCCCCCCCCN N106767 [0,1,0,0,0,0|1,0,2]=4 247 B9R0.45 CCCCCCCCCO N105713 [0,1,0,0,0,0|0,0,2]=3 248 B9R0.45 CCCCCCCCCO N105714 [0,1,0,0,0,0|0,0,2]=3 249 B9R0.45 CCCCCCCCCO N301992 [0,1,0,0,0,0|0,0,2]=3 250 B9R0.45 CCCCCCCCCS N102324 [0,1,0,0,0,0|0,1,2]=4 251 B9R0.45 CCCCCCCCNC N159069 [0,1,0,0,0,0|1,0,2]=4 252 B9R0.45 CCCCCCCCSC M135102 [0,1,0,0,0,0|0,1,2]=4 253 B9R0.45 CCCCCCCNCC E124207 [0,1,0,0,0,0|1,0,2]=4 254 B9R0.45 CCCCCCNCCN B301384 [0,1,0,0,0,0|1,0,2]=4 255 B9R0.45 CCCCCCOCCO E107697 [0,1,0,0,0,0|0,0,2]=3 256 B9R0.45 CCCCCCOCCO E107698 [0,1,0,0,0,0|0,0,2]=3 257 B9R0.45 CCCCNCCCCO B151924 [0,1,0,0,0,0|0,0,2]=3 258 B9R0.45 CCCCSSCCCC D154917 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.45 CCCCSSCCCC D154922 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.45 CCOCCOCCOC D302026 [0,1,0,0,0,0|2,0,1]=4 261 B9R0.45 COCCCCCCOC D155368 [0,1,0,0,0,0|1,0,2]=4 262 B9R0.46 CCCCCCC(C)CC M158519 [0,1,0,0,0,0|1,0,2]=4 263 B9R0.46 CCCCCCC(CC)O N159698 [0,1,0,0,0,0|1,0,2]=4 264 B9R0.46 CCCCCCC(CO)O O108069 [0,1,0,0,0,0|0,0,2]=3 265 B9R1.8 C1CCC(=CC1)CC#N C122415 [0,0,0,1,0,0|1,0,1]=3 266 B9R1.8 C1CCC(=CC1)CCN C153571 [0,0,0,1,0,0|1,0,0]=2 267 B9R1.8 C1CCC(CC1)CCBr B113782 [0,0,0,1,0,0|1,0,2]=4 268 B9R1.8 C1CCC(CC1)CCN C153966 [0,0,0,1,0,0|1,0,2]=4 269 B9R1.8 C1CCC(CC1)CCO C153306 [0,0,0,1,0,0|0,0,2]=3 270 B9R1.8 C1CCN(CC1)CCCl C113518 [0,0,0,1,0,0|2,0,1]=4 271 B9R1.8 C1CCN(CC1)CCN A113914 [0,0,0,1,0,0|2,0,1]=4 272 B9R1.8 C1CCN(CC1)CCN P189302 [0,0,0,1,0,0|2,0,1]=4 273 B9R1.8 C1CCN(CC1)CCO H113280 [0,0,0,1,0,0|1,0,1]=3 274 B9R1.8 C1CCNC(C1)CCO P160104 [0,0,0,1,0,0|1,0,1]=3 275 B9R1.8 C1CCNC(C1)CCO R195067 [0,0,0,1,0,0|1,0,1]=3 276 B9R1.8 C1CCNC(C1)CCO S186630 [0,0,0,1,0,0|1,0,1]=3 277 B9R1.8 C1CCNC(C1)CCO S189442 [0,0,0,1,0,0|1,0,1]=3 278 B9R1.8 C1CN(CCN1)CCO H101744 [0,0,0,1,0,0|2,0,1]=4 279 B9R1.8 C1CNCCC1CCO P121582 [0,0,0,1,0,0|1,0,2]=4 280 B9R1.8 C1CNCCC1CCO P590668 [0,0,0,1,0,0|1,0,2]=4 281 B9R1.8 C1COC(OC1)CCBr B113749 [0,0,0,1,0,0|2,0,1]=4 282 B9R1.8 C1COCCN1CCO H100457 [0,0,0,1,0,0|2,0,1]=4 283 B9R1.8 CCCC1CCCCC1 P160285 [0,0,0,1,0,0|1,0,2]=4 284 B9R1.8 COCC1CNCCO1 R190852 [0,0,0,1,0,0|2,0,1]=4 285 B9R1.12 C1CCC(C1)CCCO C348026 [0,0,0,1,0,0|0,0,2]=3 286 B9R1.12 C1CCN(C1)CCCCl C176841 [0,0,0,1,0,0|2,0,1]=4 287 B9R1.12 C1CCN(C1)CCCCl C193196 [0,0,0,1,0,0|2,0,1]=4 288 B9R1.12 C1CCN(C1)CCCN A113933 [0,0,0,1,0,0|2,0,1]=4 289 B9R1.12 C1CCN(C1)CCCO P191873 [0,0,0,1,0,0|1,0,1]=3 290 B9R1.12 C1COC(O1)CCCBr B153123 [0,0,0,1,0,0|2,0,1]=4 291 B9R1.12 C1COC(O1)CCCCl C132505 [0,0,0,1,0,0|2,0,1]=4 292 B9R1.12 CCCCC1=CC=CO1 B152372 [0,0,0,1,0,0|0,0,2]=3 293 B9R1.12 CCCCC1=CC=CS1 N189024 [0,0,0,1,0,0|0,1,2]=4 294 B9R1.12 CCCCC1=CSC=C1 B100752 [0,0,0,1,0,0|2,0,1]=4 295 B9R1.12 CCCCN1CCCC1 B123038 [0,0,0,1,0,0|2,0,1]=4 296 B9R1.15 CCC1CCCCC1C E156070 [0,0,0,1,0,0|1,0,2]=4 297 B9R1.15 CCC1CCCCC1O E156074 [0,0,0,1,0,0|0,0,2]=3 298 B9R1.15 CN1CCCCC1CO M106741 [0,0,0,1,0,0|1,0,2]=4 299 B9R1.33 CN1CCCC1CCO M102052 [0,0,0,1,0,0|1,0,2]=4 300 B9R1.50 C1CC=CCCC(C1)O C193374 [0,0,0,1,0,0|0,0,2]=3 301 B9R1.50 C1CC=CCCC(C1)O E487313 [0,0,0,1,0,0|0,0,2]=3 302 B9R1.50 C1CCCC(CCC1)N C153969 [0,0,0,1,0,0|1,0,2]=4 303 B9R1.50 C1CCCC(CCC1)O C153307 [0,0,0,1,0,0|0,0,2]=3 304 B9R1.83 CCCCCCC1CO1 E113793 [0,0,0,1,0,0|0,0,2]=3 305 B9R1.83 CCCCOCC1CO1 B152235 [0,0,0,1,0,0|1,0,1]=3 306 B9R1.89 C1CCNCC(C1)CO A177665 [0,0,0,1,0,0|1,0,1]=3 307 B6R0.6 C#CCCCCO H107735 [2,0,0,0,0,0|0,0,2]=4 308 B6R0.6 C(CCBr)CCBr D106538 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.6 C(CCCl)CCBr B109691 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.6 C(CCCl)CCCl D105687 [2,0,0,0,0,0|2,0,0]=4 311 B6R0.6 C(CCF)CCBr B303673 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.6 C(CCI)CCI D155300 [2,0,0,0,0,0|2,0,0]=4 313 B6R0.6 C(CCN)CCN D111805 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.6 C(CCN)CCN D121817 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.6 C(CCN)CCN D283638 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.6 C(CCN)CCN D421724 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.6 C(CCN)CCO A107210 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.6 C(CCN)CCO A565375 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.6 C(CCO)CCBr B135090 [2,0,0,0,0,0|1,0,0]=3 320 B6R0.6 C(CCO)CCCl C153897 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.6 C(CCO)CCO P105588 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.6 C(CCS)CCS P102332 [2,0,0,0,0,0|1,1,0]=4 323 B6R0.6 C(CNCCO)N H100512 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.6 C(CNCCO)N H100513 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.6 C(CO)NCCCl C588449 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.6 C(CO)NCCO D112357 [2,0,0,0,0,0|2,0,0]=4 327 B6R0.6 C(CO)NCCO D112358 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.6 C(CO)NCCO D112360 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.6 C(CO)NCCO D112361 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.6 C(CO)NCCO D155708 [2,0,0,0,0,0|2,0,0]=4 331 B6R0.6 C(CO)NCCO D301793 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.6 C(COCCBr)O B339979 [2,0,0,0,0,0|2,0,0]=4 333 B6R0.6 C(COCCCl)O C118686 [2,0,0,0,0,0|2,0,0]=4 334 B6R0.6 C(COCCI)O I586943 [2,0,0,0,0,0|2,0,0]=4 335 B6R0.6 C(COCCO)N A109910 [2,0,0,0,0,0|2,0,0]=4 336 B6R0.6 C(COCCO)N A301832 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.6 C(COCCO)O D110831 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.6 C(COCCO)O D110832 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.6 C(COCCO)O D110833 [2,0,0,0,0,0|2,0,0]=4 340 B6R0.6 C(COCCO)O D110834 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.6 C(COCCO)O D476199 [2,0,0,0,0,0|2,0,0]=4 342 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|0,0,2]=4 343 B6R0.6 CC=CC=CCO I167855 [2,0,0,0,0,0|0,0,2]=4 344 B6R0.6 CC=CC=CCO T470463 [2,0,0,0,0,0|0,0,2]=4 345 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|1,0,0]=3 346 B6R0.6 CCC#CCCO H157360 [2,0,0,0,0,0|0,0,2]=4 347 B6R0.6 CCC=CCCO C426965 [2,0,0,0,0,0|0,0,0]=2 348 B6R0.6 CCC=CCCO H112690 [2,0,0,0,0,0|0,0,0]=2 349 B6R0.6 CCC=CCCO L106205 [2,0,0,0,0,0|0,0,0]=2 350 B6R0.6 CCCC#CCO H157375 [2,0,0,0,0,0|0,0,2]=4 351 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|0,0,2]=4 352 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|0,0,2]=4 353 B6R0.6 CCCC=CCO C153482 [2,0,0,0,0,0|0,0,0]=2 354 B6R0.6 CCCC=CCO H102077 [2,0,0,0,0,0|0,0,0]=2 355 B6R0.6 CCCCCC#C H100842 [2,0,0,0,0,0|1,0,1]=4 356 B6R0.6 CCCCCC#N H157040 [2,0,0,0,0,0|1,0,1]=4 357 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|0,0,2]=4 358 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|0,0,2]=4 359 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|0,0,2]=4 360 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|0,0,2]=4 361 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|0,0,2]=4 362 B6R0.6 CCCCCCBr B105244 [2,0,0,0,0,0|1,0,0]=3 363 B6R0.6 CCCCCCBr B471923 [2,0,0,0,0,0|1,0,0]=3 364 B6R0.6 CCCCCCC H108102 [2,0,0,0,0,0|0,0,1]=3 365 B6R0.6 CCCCCCC H108103 [2,0,0,0,0,0|0,0,1]=3 366 B6R0.6 CCCCCCC H108105 [2,0,0,0,0,0|0,0,1]=3 367 B6R0.6 CCCCCCC H108108 [2,0,0,0,0,0|0,0,1]=3 368 B6R0.6 CCCCCCC H108111 [2,0,0,0,0,0|0,0,1]=3 369 B6R0.6 CCCCCCC H108112 [2,0,0,0,0,0|0,0,1]=3 370 B6R0.6 CCCCCCC H118382 [2,0,0,0,0,0|0,0,1]=3 371 B6R0.6 CCCCCCC H119701 [2,0,0,0,0,0|0,0,1]=3 372 B6R0.6 CCCCCCCl C109280 [2,0,0,0,0,0|1,0,0]=3 373 B6R0.6 CCCCCCCl C109281 [2,0,0,0,0,0|1,0,0]=3 374 B6R0.6 CCCCCCI I157578 [2,0,0,0,0,0|1,0,0]=3 375 B6R0.6 CCCCCCN H105333 [2,0,0,0,0,0|1,0,0]=3 376 B6R0.6 CCCCCCN H157035 [2,0,0,0,0,0|1,0,0]=3 377 B6R0.6 CCCCCCN H292813 [2,0,0,0,0,0|1,0,0]=3 378 B6R0.6 CCCCCCN H491868 [2,0,0,0,0,0|1,0,0]=3 379 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|0,0,0]=2 380 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|0,0,0]=2 381 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|0,0,0]=2 382 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|0,0,0]=2 383 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|0,0,0]=2 384 B6R0.6 CCCCCCS H100786 [2,0,0,0,0,0|0,1,0]=3 385 B6R0.6 CCCCCCS H299109 [2,0,0,0,0,0|0,1,0]=3 386 B6R0.6 CCCCCC[NH3+] H292817 [2,0,0,0,0,0|1,0,0]=3 387 B6R0.6 CCCCCC[NH3+] H492547 [2,0,0,0,0,0|1,0,0]=3 388 B6R0.6 CCCCCC[Si] H357381 [2,0,0,0,0,0|1,0,0]=3 389 B6R0.6 CCCCCNC M124210 [2,0,0,0,0,0|1,0,1]=4 390 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|1,0,1]=4 391 B6R0.6 CCCCNCC N158928 [2,0,0,0,0,0|1,0,0]=3 392 B6R0.6 CCCCOC=C B123186 [2,0,0,0,0,0|1,0,1]=4 393 B6R0.6 CCCCOC=C B123187 [2,0,0,0,0,0|1,0,1]=4 394 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|1,0,1]=4 395 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|1,0,1]=4 396 B6R0.6 CCCCSCC B152507 [2,0,0,0,0,0|1,0,0]=3 397 B6R0.6 CCCNCCC D100329 [2,0,0,0,0,0|1,0,1]=4 398 B6R0.6 CCCNCCC D100330 [2,0,0,0,0,0|1,0,1]=4 399 B6R0.6 CCCNCCC D154684 [2,0,0,0,0,0|1,0,1]=4 400 B6R0.6 CCCNCCC D404364 [2,0,0,0,0,0|1,0,1]=4 401 B6R0.6 CCCNCCN N336391 [2,0,0,0,0,0|2,0,0]=4 402 B6R0.6 CCCOCCC P160596 [2,0,0,0,0,0|1,0,1]=4 403 B6R0.6 CCCOCCCl C137234 [2,0,0,0,0,0|2,0,0]=4 404 B6R0.6 CCCOCCN P160362 [2,0,0,0,0,0|2,0,0]=4 405 B6R0.6 CCCOCCO P107659 [2,0,0,0,0,0|1,0,0]=3 406 B6R0.6 CCCOCCO P299319 [2,0,0,0,0,0|1,0,0]=3 407 B6R0.6 CCCSCCC D102909 [2,0,0,0,0,0|1,0,1]=4 408 B6R0.6 CCNCCCO E300231 [2,0,0,0,0,0|1,0,0]=3 409 B6R0.6 CCOCCCN E156297 [2,0,0,0,0,0|2,0,0]=4 410 B6R0.6 CCOCCCO E108059 [2,0,0,0,0,0|1,0,0]=3 411 B6R0.6 CCOCCOC E331012 [2,0,0,0,0,0|2,0,0]=4 412 B6R0.6 CCOCOCC D109106 [2,0,0,0,0,0|2,0,0]=4 413 B6R0.6 CCOCOCC D139939 [2,0,0,0,0,0|2,0,0]=4 414 B6R0.6 CCSCCCO E300079 [2,0,0,0,0,0|1,0,0]=3 415 B6R0.6 CNCCCCO M193351 [2,0,0,0,0,0|1,0,0]=3 416 B6R0.6 COCCCCBr B152834 [2,0,0,0,0,0|2,0,0]=4 417 B6R0.6 COCCCCO B152046 [2,0,0,0,0,0|1,0,0]=3 418 B6R0.6 CSCCCCO M468928 [2,0,0,0,0,0|1,0,0]=3 419 B8R0.1 CCCC(=O)OCCC P100043 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.1 CCCC(=O)OCCC P100044 [1,1,0,0,0,0|1,0,1]=4 421 B8R0.1 CCCCC(=O)C=CC O160046 [1,1,0,0,0,0|0,0,1]=3 422 B8R0.1 CCCCC(=O)CCC O160045 [1,1,0,0,0,0|0,0,1]=3 423 B8R0.1 CCCCC(=O)OCC E105293 [1,1,0,0,0,0|1,0,0]=3 424 B8R0.1 CCCCC(=O)OCC E105294 [1,1,0,0,0,0|1,0,0]=3 425 B8R0.1 CCCCC(=O)OCC E118465 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.1 CCCCC(CCC)O O159906 [1,1,0,0,0,0|0,0,2]=4 427 B8R0.1 CCOC(=O)CCCBr E106908 [1,1,0,0,0,0|2,0,0]=4 428 B8R0.1 CCOC(=O)CCCBr E639064 [1,1,0,0,0,0|2,0,0]=4 429 B8R0.1 CCOC(=O)CCCCl E135072 [1,1,0,0,0,0|2,0,0]=4 430 B8R0.1 CCOC(=O)CCCCl E493598 [1,1,0,0,0,0|2,0,0]=4 431 B8R0.1 CCOC(=O)CCCN E122453 [1,1,0,0,0,0|2,0,0]=4 432 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.1 CCOC(=O)CCSC E107629 [1,1,0,0,0,0|2,0,0]=4 434 B8R0.1 CCOCC(=O)OCC E195171 [1,1,0,0,0,0|2,0,0]=4 435 B8R0.6 C(CCO)CC(CO)O H105564 [1,1,0,0,0,0|1,0,1]=4 436 B8R0.6 CCCC=CC(=O)OC M134288 [1,1,0,0,0,0|1,0,1]=4 437 B8R0.6 CCCCCC(=O)CC O106928 [1,1,0,0,0,0|0,0,1]=3 438 B8R0.6 CCCCCC(=O)CC O106929 [1,1,0,0,0,0|0,0,1]=3 439 B8R0.6 CCCCCC(=O)OC M112312 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.6 CCCCCC(=O)OC M112313 [1,1,0,0,0,0|1,0,1]=4 441 B8R0.6 CCCCCC(=O)OC M112314 [1,1,0,0,0,0|1,0,1]=4 442 B8R0.6 CCCCCC(C)CC M158522 [1,1,0,0,0,0|0,0,2]=4 443 B8R0.6 CCCCCC(CC)O O159907 [1,1,0,0,0,0|0,0,2]=4 444 B8R0.6 CCCCNC(=O)CCl N193799 [1,1,0,0,0,0|2,0,0]=4 445 B8R0.6 CCCCOC(=O)CC B152863 [1,1,0,0,0,0|1,0,0]=3 446 B8R0.6 CCCCOC(=O)CCl B152888 [1,1,0,0,0,0|2,0,0]=4 447 B8R0.6 CCCCOC(=O)CO B134012 [1,1,0,0,0,0|1,0,0]=3 448 B8R0.6 CCCCOC(=O)CO B493056 [1,1,0,0,0,0|1,0,0]=3 449 B8R0.6 CCCCOC(=O)CS B152740 [1,1,0,0,0,0|1,1,0]=4 450 B8R0.6 CCCOCC(CO)O O353306 [1,1,0,0,0,0|1,0,1]=4 451 B8R0.7 B(CCCCCC)(O)O H299977 [1,1,0,0,0,0|1,0,1]=4 452 B8R0.7 CC(C)NCCCCO I157483 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.7 CCCC=CCC(=O)O H303362 [1,1,0,0,0,0|0,0,1]=3 454 B8R0.7 CCCCC=CC(=O)C O100829 [1,1,0,0,0,0|0,0,1]=3 455 B8R0.7 CCCCC=CC(=O)O H305279 [1,1,0,0,0,0|0,0,1]=3 456 B8R0.7 CCCCCCC(=O)O H103518 [1,1,0,0,0,0|0,0,2]=4 457 B8R0.7 CCCCCCC(=O)O H103519 [1,1,0,0,0,0|0,0,2]=4 458 B8R0.7 CCCCCCC(=O)O H103520 [1,1,0,0,0,0|0,0,2]=4 459 B8R0.7 CCCCCCC(=O)O H431469 [1,1,0,0,0,0|0,0,2]=4 460 B8R0.7 CCCCCCC(C)Br B152446 [1,1,0,0,0,0|0,0,2]=4 461 B8R0.7 CCCCCCC(C)C M158524 [1,1,0,0,0,0|0,0,2]=4 462 B8R0.7 CCCCCCC(C)N A151716 [1,1,0,0,0,0|0,0,2]=4 463 B8R0.7 CCCCCCC(C)N I169738 [1,1,0,0,0,0|0,0,2]=4 464 B8R0.7 CCCCCCC(C)O O111525 [1,1,0,0,0,0|0,0,1]=3 465 B8R0.7 CCCCCCC(C)O O111526 [1,1,0,0,0,0|0,0,1]=3 466 B8R0.7 CCCCCCC(C)O O111527 [1,1,0,0,0,0|0,0,1]=3 467 B8R0.7 CCCCCCC(C)O O111528 [1,1,0,0,0,0|0,0,1]=3 468 B8R0.7 CCCCCCC(C)O R160889 [1,1,0,0,0,0|0,0,1]=3 469 B8R0.7 CCCCCCC(C)O S161171 [1,1,0,0,0,0|0,0,1]=3 470 B8R0.7 CCCCOCC(=O)O B152317 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.7 CCCCOCC(C)O B151801 [1,1,0,0,0,0|1,0,0]=3 472 B8R0.7 CN(C)CCOCCO D124510 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.3 CC(C)CCCC(C)CCO T110148 [0,2,0,0,0,0|0,0,2]=4 474 B10R0.3 CCCC(=O)OCCC(C)C I108580 [0,2,0,0,0,0|2,0,0]=4 475 B10R0.3 CCCC(=O)OCCC(C)C I108581 [0,2,0,0,0,0|2,0,0]=4 476 B10R0.4 B(CCCCCCCC)(O)O N404820 [0,2,0,0,0,0|0,0,2]=4 477 B10R0.4 CC(C)CCCCCCCO I298943 [0,2,0,0,0,0|0,0,2]=4 478 B10R0.4 CCCCCCCCC(=O)O N110892 [0,2,0,0,0,0|0,0,2]=4 479 B10R0.4 CCCCCCCCC(=O)O N110893 [0,2,0,0,0,0|0,0,2]=4 480 B10R0.4 CCCCCCCCC(=O)O N110894 [0,2,0,0,0,0|0,0,2]=4 481 B10R0.4 CCCCCCCCC(=O)O N110895 [0,2,0,0,0,0|0,0,2]=4 482 B10R0.4 CCCCCCCCC(=O)O N196934 [0,2,0,0,0,0|0,0,2]=4 483 B10R0.4 CCCCCCCCC(=O)O N420639 [0,2,0,0,0,0|0,0,2]=4 484 B10R0.4 CCCCCCCCC(C)O D154355 [0,2,0,0,0,0|0,0,2]=4 485 B10R0.6 CCCCOC(=O)CC(C)C B152732 [0,2,0,0,0,0|2,0,0]=4 486 B10R0.74 CCCC=CCOC(=O)CC T161809 [0,2,0,0,0,0|1,0,1]=4 487 B10R0.74 CCCCCCCC(C=C)O D154363 [0,2,0,0,0,0|0,0,2]=4 488 B10R0.74 CCCCCCCC(CC)O D154380 [0,2,0,0,0,0|0,0,2]=4 489 B10R0.78 CCCCC(=O)OCC(C)C I302149 [0,2,0,0,0,0|2,0,0]=4 490 B10R0.1 CCCCCCC(=O)CCC D154230 [0,2,0,0,0,0|1,0,1]=4 491 B10R0.1 CCCCCOC(=O)CCC A111359 [0,2,0,0,0,0|1,0,1]=4 492 B10R0.83 CCCCOC(=O)C(C)CC N303009 [0,2,0,0,0,0|2,0,0]=4 493 B10R0.91 CCCCC(=O)OCCCC B112311 [0,2,0,0,0,0|1,0,1]=4 494 B10R0.91 CCCCC(=O)OCCCC B115773 [0,2,0,0,0,0|1,0,1]=4 495 B10R0.91 CCCCCC(=O)OCCC P136440 [0,2,0,0,0,0|1,0,1]=4 496 B10R0.71 C#CCCCCCCCCO D154352 [0,2,0,0,0,0|0,0,2]=4 497 B10R0.71 C(CCCCO)CCCCBr B124493 [0,2,0,0,0,0|0,0,2]=4 498 B10R0.71 C(CCCCO)CCCCCl C589319 [0,2,0,0,0,0|0,0,2]=4 499 B10R0.71 C(CCCCO)CCCCO N133834 [0,2,0,0,0,0|0,0,2]=4 500 B10R0.71 C(COCCO)COCCO D465329 [0,2,0,0,0,0|1,0,1]=4 501 B10R0.71 C=CCCCCCCCCO D155265 [0,2,0,0,0,0|0,0,2]=4 502 B10R0.71 CCCCC=CCCCCO T161773 [0,2,0,0,0,0|0,0,0]=2 503 B10R0.71 CCCCCC=CCCCO C153573 [0,2,0,0,0,0|0,0,0]=2 504 B10R0.71 CCCCCCCC#CCO D155777 [0,2,0,0,0,0|0,0,2]=4 505 B10R0.71 CCCCCCCCCCO D103414 [0,2,0,0,0,0|0,0,2]=4 506 B10R0.71 CCCCCCCCCCO D103415 [0,2,0,0,0,0|0,0,2]=4 507 B10R0.71 CCCCCCCCOC=O O302220 [0,2,0,0,0,0|0,0,2]=4 508 B10R0.71 CCCCOCCOCCO B110647 [0,2,0,0,0,0|0,0,2]=4 509 B10R0.71 CCCCOCCOCCO B110648 [0,2,0,0,0,0|0,0,2]=4 510 B10R0.71 CCCCOCCOCCO B110651 [0,2,0,0,0,0|0,0,2]=4 511 B10R0.71 COCCOCCOCCO T122357 [0,2,0,0,0,0|1,0,1]=4 512 B8R1.2 C#CC1=CCCCC1 E156239 [1,0,0,1,0,0|0,0,2]=4 513 B8R1.2 C1CC(CC=C1)C#N C137925 [1,0,0,1,0,0|1,0,1]=4 514 B8R1.2 C1CC(CC=C1)C=O C154037 [1,0,0,1,0,0|1,0,1]=4 515 B8R1.2 C1CC(CC=C1)CO C131788 [1,0,0,1,0,0|1,0,0]=3 516 B8R1.2 C1CC(CNC1)CO P160105 [1,0,0,1,0,0|1,0,1]=4 517 B8R1.2 C1CC(CNC1)CO S586410 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.2 C1CC(CNC1)CO S587257 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.2 C1CC(COC1)CO O174328 [1,0,0,1,0,0|1,0,1]=4 520 B8R1.2 C1CC(OC=C1)CO D117672 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.2 C1CCC(=CC1)C#N C153472 [1,0,0,1,0,0|1,0,1]=4 522 B8R1.2 C1CCC(=CC1)C=O C468613 [1,0,0,1,0,0|0,0,2]=4 523 B8R1.2 C1CCC(=NO)CC1 C109682 [1,0,0,1,0,0|1,0,1]=4 524 B8R1.2 C1CCC(CC1)CBr B121199 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.2 C1CCC(CC1)CN C138894 [1,0,0,1,0,0|1,0,1]=4 526 B8R1.2 C1CCC(CC1)CN C303051 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.2 C1CCC(CC1)CN C493236 [1,0,0,1,0,0|1,0,1]=4 528 B8R1.2 C1CCC(CC1)CO C106975 [1,0,0,1,0,0|0,0,1]=3 529 B8R1.2 C1CCC(CC1)NO I169027 [1,0,0,1,0,0|1,0,1]=4 530 B8R1.2 C1CCNC(C1)CN P132846 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.2 C1CCNC(C1)CO P124723 [1,0,0,1,0,0|1,0,0]=3 532 B8R1.2 C1CCOC(C1)CBr B169755 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.2 C1CCOC(C1)CO T161846 [1,0,0,1,0,0|1,0,0]=3 534 B8R1.2 C1CNCCC1CO P113833 [1,0,0,1,0,0|1,0,1]=4 535 B8R1.2 C1COC(CN1)CN A481712 [1,0,0,1,0,0|2,0,0]=4 536 B8R1.2 C1COC(CN1)CO M586197 [1,0,0,1,0,0|2,0,0]=4 537 B8R1.2 C1COC(CO1)CN D586521 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.2 C1COC(CO1)CN R174405 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.2 C1COC(CO1)CN S174408 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.2 C1COC(CO1)CO S193283 [1,0,0,1,0,0|2,0,0]=4 541 B8R1.2 C1COCC(N1)CO H179128 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.2 C1COCC(N1)CO M178522 [1,0,0,1,0,0|2,0,0]=4 543 B8R1.2 C1COCCC1CO T161848 [1,0,0,1,0,0|1,0,1]=4 544 B8R1.2 C=CC1CCC=CC1 V106228 [1,0,0,1,0,0|0,0,2]=4 545 B8R1.2 CCC1CCCCC1 E108913 [1,0,0,1,0,0|0,0,2]=4 546 B8R1.2 CCC1CCCCC1 E108914 [1,0,0,1,0,0|0,0,2]=4 547 B8R1.2 CCC1CCCCN1 E156420 [1,0,0,1,0,0|1,0,1]=4 548 B8R1.2 CCC1CCCCN1 S467334 [1,0,0,1,0,0|1,0,1]=4 549 B8R1.2 CCC1CCNCC1 E169556 [1,0,0,1,0,0|1,0,1]=4 550 B8R1.2 CCC1COCCN1 R186382 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.2 CCN1CCCCC1 E110307 [1,0,0,1,0,0|1,0,1]=4 552 B8R1.2 COC1CCC=CO1 D189144 [1,0,0,1,0,0|2,0,0]=4 553 B8R1.2 COC1CCCCO1 W196195 [1,0,0,1,0,0|1,0,1]=4 554 B8R1.5 C1CCC(C(C1)N)O A135671 [1,0,0,1,0,0|1,0,1]=4 555 B8R1.5 C1CCC(C(C1)N)O C135782 [1,0,0,1,0,0|1,0,1]=4 556 B8R1.5 C1CCC(C(C1)N)O I167007 [1,0,0,1,0,0|1,0,1]=4 557 B8R1.5 C1CCC(C(C1)N)O R195900 [1,0,0,1,0,0|1,0,1]=4 558 B8R1.5 C1CCC(C(C1)N)O S138163 [1,0,0,1,0,0|1,0,1]=4 559 B8R1.5 C1CCC(C(C1)N)O S304528 [1,0,0,1,0,0|1,0,1]=4 560 B8R1.5 C1CCC(C(C1)N)O S587981 [1,0,0,1,0,0|1,0,1]=4 561 B8R1.5 C1CCC(C(C1)N)O T474337 [1,0,0,1,0,0|1,0,1]=4 562 B8R1.5 C1CCC(C(C1)O)Cl C133236 [1,0,0,1,0,0|1,0,1]=4 563 B8R1.5 C1CCC(C(C1)O)F F156603 [1,0,0,1,0,0|1,0,1]=4 564 B8R1.5 C1CCC(C(C1)O)O C101651 [1,0,0,1,0,0|1,0,1]=4 565 B8R1.5 C1CCC(C(C1)O)O C101652 [1,0,0,1,0,0|1,0,1]=4 566 B8R1.5 C1CCC(C(C1)O)O C153336 [1,0,0,1,0,0|1,0,1]=4 567 B8R1.5 C1CCC(C(C1)O)O C153338 [1,0,0,1,0,0|1,0,1]=4 568 B8R1.5 C1CCC(C(C1)O)O I171071 [1,0,0,1,0,0|1,0,1]=4 569 B8R1.5 C1COCC(C1N)O S587531 [1,0,0,1,0,0|2,0,0]=4 570 B8R1.5 CC1CCCCC1C D155823 [1,0,0,1,0,0|0,0,2]=4 571 B8R1.5 CC1CCCCC1N M102224 [1,0,0,1,0,0|1,0,1]=4 572 B8R1.5 CC1CCCCC1O C153331 [1,0,0,1,0,0|0,0,1]=3 573 B8R1.5 CC1CCCCC1O M157932 [1,0,0,1,0,0|0,0,1]=3 574 B8R1.8 C1CCC(C1)CCO C154115 [1,0,0,1,0,0|0,0,1]=3 575 B8R1.8 C1CCN(C1)CCCl C139223 [1,0,0,1,0,0|2,0,0]=4 576 B8R1.8 C1CCN(C1)CCN A121650 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.8 C1CCN(C1)CCN P405662 [1,0,0,1,0,0|2,0,0]=4 578 B8R1.8 C1CCN(C1)CCO H140439 [1,0,0,1,0,0|1,0,0]=3 579 B8R1.8 C1COC(O1)CCBr B153144 [1,0,0,1,0,0|2,0,0]=4 580 B8R1.8 C1COC(O1)CCN A151047 [1,0,0,1,0,0|2,0,0]=4 581 B8R1.8 CCCC1=CC=CO1 P160277 [1,0,0,1,0,0|0,0,2]=4 582 B8R1.8 CCCC1=NCCN1 P302987 [1,0,0,1,0,0|2,0,0]=4 583 B8R1.8 CCCC1=NCCO1 P160311 [1,0,0,1,0,0|1,0,0]=3 584 B8R1.8 CNCC1OCCO1 M349963 [1,0,0,1,0,0|2,0,0]=4 585 B8R1.11 CN1CCCC1CO M303525 [1,0,0,1,0,0|1,0,1]=4 586 B8R1.11 CN1CCCC1CO S303491 [1,0,0,1,0,0|1,0,1]=4 587 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|0,0,2]=4 588 B8R1.22 C1CCCC(CC1)Br B152451 [1,0,0,1,0,0|1,0,1]=4 589 B8R1.22 C1CCCC(CC1)Cl C153659 [1,0,0,1,0,0|1,0,1]=4 590 B8R1.22 C1CCCC(CC1)N C153902 [1,0,0,1,0,0|1,0,1]=4 591 B8R1.22 C1CCCC(CC1)O C105241 [1,0,0,1,0,0|0,0,1]=3 592 B8R1.36 CCCCCC1CO1 E156381 [1,0,0,1,0,0|0,0,1]=3 593 B8R1.36 CCCNCC1CC1 N300667 [1,0,0,1,0,0|1,0,1]=4 594 B8R1.49 C1CC=CCCC=C1 A118524 [1,0,0,1,0,0|0,0,2]=4 595 B8R1.49 C1CC=CCCC=C1 B115561 [1,0,0,1,0,0|0,0,2]=4 596 B8R1.49 C1CC=CCCC=C1 B124100 [1,0,0,1,0,0|0,0,2]=4 597 B8R1.49 C1CC=CCCC=C1 B140876 [1,0,0,1,0,0|0,0,2]=4 598 B8R1.49 C1CC=CCCC=C1 B169584 [1,0,0,1,0,0|0,0,2]=4 599 B8R1.49 C1CC=CCCC=C1 B468674 [1,0,0,1,0,0|0,0,2]=4 600 B8R1.49 C1CC=CCCC=C1 C103217 [1,0,0,1,0,0|0,0,2]=4 601 B8R1.49 C1CC=CCCC=C1 C113573 [1,0,0,1,0,0|0,0,2]=4 602 B8R1.49 C1CC=CCCC=C1 C119030 [1,0,0,1,0,0|0,0,2]=4 603 B8R1.49 C1CC=CCCC=C1 C123134 [1,0,0,1,0,0|0,0,2]=4 604 B8R1.49 C1CC=CCCC=C1 C124086 [1,0,0,1,0,0|0,0,2]=4 605 B8R1.49 C1CC=CCCC=C1 D107564 [1,0,0,1,0,0|0,0,2]=4 606 B8R1.49 C1CC=CCCC=C1 D107649 [1,0,0,1,0,0|0,0,2]=4 607 B8R1.49 C1CC=CCCC=C1 D118506 [1,0,0,1,0,0|0,0,2]=4 608 B8R1.49 C1CC=CCCC=C1 D130071 [1,0,0,1,0,0|0,0,2]=4 609 B8R1.49 C1CC=CCCC=C1 D130073 [1,0,0,1,0,0|0,0,2]=4 610 B8R1.49 C1CC=CCCC=C1 D299608 [1,0,0,1,0,0|0,0,2]=4 611 B8R1.49 C1CCC=CC=CC1 C153570 [1,0,0,1,0,0|0,0,2]=4 612 B8R1.49 C1CCC=CC=CC1 C333998 [1,0,0,1,0,0|0,0,2]=4 613 B8R1.49 C1CCCC=CCC1 C100852 [1,0,0,1,0,0|0,0,0]=2 614 B8R1.49 C1CCCC=CCC1 C118535 [1,0,0,1,0,0|0,0,0]=2 615 B8R1.49 C1CCCC=CCC1 C129192 [1,0,0,1,0,0|0,0,0]=2 616 B8R1.49 C1CCCC=CCC1 C189232 [1,0,0,1,0,0|0,0,0]=2 617 B8R1.49 C1CCCC=CCC1 C294026 [1,0,0,1,0,0|0,0,0]=2 618 B8R1.49 C1CCCCCCC1 C153590 [1,0,0,1,0,0|0,0,2]=4 619 B8R1.49 C1CCCNCCC1 H157012 [1,0,0,1,0,0|1,0,1]=4 620 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,1,0,1,0,0|2,0,0]=4 621 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,1,0,1,0,0|2,0,0]=4 622 B10R1.21 C1CC(OC1)COCCO T121212 [0,1,0,1,0,0|1,0,1]=4 623 B10R1.21 C1COC(O1)CCCCCl C189927 [0,1,0,1,0,0|1,0,1]=4 624 B10R1.21 CCCCCC1=CC=CO1 P103007 [0,1,0,1,0,0|0,0,2]=4 625 B10R1.29 CCCCN1CCCC1=O B124554 [0,1,0,1,0,0|2,0,0]=4 626 B10R1.85 C1CCCN(CC1)CCO H168438 [0,1,0,1,0,0|0,0,2]=4 627 B10R1.4 CCCC1CCCCC1=O P160132 [0,1,0,1,0,0|1,0,1]=4 628 B10R1.17 C1CCC(CC1)CCCO C153386 [0,1,0,1,0,0|0,0,2]=4 629 B10R1.17 C1CCC(CC1)NCCO N140389 [0,1,0,1,0,0|0,0,2]=4 630 B10R1.17 C1CCN(CC1)CCCO P132596 [0,1,0,1,0,0|0,0,2]=4 631 B10R1.17 C1COCCN1CCCO H138846 [0,1,0,1,0,0|1,0,1]=4 632 B10R1.7 C1CCCC(C(CC1)O)O C346997 [0,1,0,1,0,0|0,0,2]=4 633 B10R1.20 C1CCC(C(C1)CO)CO I133239 [0,1,0,1,0,0|0,0,2]=4 634 B10R1.20 C1CCC(C(C1)CO)CO R160969 [0,1,0,1,0,0|0,0,2]=4 635 B10R1.20 C1CCC(C(C1)CO)CO S588709 [0,1,0,1,0,0|0,0,2]=4 636 B10R1.20 C1CCC(C(C1)CO)CO T162621 [0,1,0,1,0,0|0,0,2]=4 637 B10R1.1 C1CC(CCC1CCO)N A151060 [0,1,0,1,0,0|0,0,2]=4 638 B10R1.2 C1=COC(C(C1O)O)CO G107885 [0,1,0,1,0,0|2,0,0]=4 639 B10R1.2 C1=COC(C(C1O)O)CO G107889 [0,1,0,1,0,0|2,0,0]=4 640 B10R1.15 C1CCC(CC1)C(CO)N S590298 [0,1,0,1,0,0|0,0,2]=4 641 B10R2.7 C1C=CCC2C1CC=C2 A151294 [0,0,0,2,0,0|1,0,1]=4 642 B10R2.99 C1CC2CC1CC2CO N135171 [0,0,0,2,0,0|0,0,2]=4 643 B10R2.18 C1CC2C(O2)CCC=C1 O357123 [0,0,0,2,0,0|0,0,2]=4 644 B10R2.18 C1CCCC2C(O2)CC1 E156395 [0,0,0,2,0,0|0,0,2]=4