0 B8R0.7 B(CCCCCC)(O)O H299977 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 C#CCCCCC(=O)O H107741 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.7 C(CCC(=O)N)CCBr B185341 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.7 C(CCC(=O)O)CCN A306000 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.7 C(CCC(=O)O)CCN A433060 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.7 C(CCC(=O)O)CCO H302536 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.7 C(CCC(=O)O)CCS M292991 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.7 C(CCC(=O)O)CCS M345400 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.7 C(CCN=C(N)N)CN A123125 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.7 C(CCN=C(N)N)CN A422852 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.7 C(CN)CNCC(=O)O N159195 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.7 C(CNCC(=O)O)C#N N159829 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.7 C(COCCN)C(=O)O A412738 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.7 C=CCOCCC(=O)O A151450 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.7 CC(=O)NCCCCN I168071 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.7 CC(=O)NCCCCN N159176 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.7 CC(=O)OCCCC=C P160540 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.7 CC(=O)OCCCCBr B136623 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.7 CC(=O)OCCCCCl C133987 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.7 CC(=O)OCCCCI I476998 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.7 CC(=O)OCCCSC M157982 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.7 CC(C)NCCCCO I157483 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.7 CCCC=CCC(=O)O H303362 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.7 CCCCC#CC(=O)O H157081 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.7 CCCCC=CC(=O)C O100829 [0,0,0,0,0,0|0,0,2]=2 30 B8R0.7 CCCCC=CC(=O)O H305279 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.7 CCCCCCC(=O)C O111186 [0,0,0,0,0,0|0,0,0]=0 32 B8R0.7 CCCCCCC(=O)C O111187 [0,0,0,0,0,0|0,0,0]=0 33 B8R0.7 CCCCCCC(=O)Cl H102418 [0,0,0,0,0,0|1,0,0]=1 34 B8R0.7 CCCCCCC(=O)O H103518 [0,0,0,0,0,0|1,0,0]=1 35 B8R0.7 CCCCCCC(=O)O H103519 [0,0,0,0,0,0|1,0,0]=1 36 B8R0.7 CCCCCCC(=O)O H103520 [0,0,0,0,0,0|1,0,0]=1 37 B8R0.7 CCCCCCC(=O)O H431469 [0,0,0,0,0,0|1,0,0]=1 38 B8R0.7 CCCCCCC(=O)[O-] S161315 [0,0,0,0,0,0|1,0,0]=1 39 B8R0.7 CCCCCCC(C)Br B152446 [0,0,0,0,0,0|1,0,1]=2 40 B8R0.7 CCCCCCC(C)C M158524 [0,0,0,0,0,0|1,0,1]=2 41 B8R0.7 CCCCCCC(C)N A151716 [0,0,0,0,0,0|1,0,1]=2 42 B8R0.7 CCCCCCC(C)N I169738 [0,0,0,0,0,0|1,0,1]=2 43 B8R0.7 CCCCCCC(C)O O111525 [0,0,0,0,0,0|0,0,2]=2 44 B8R0.7 CCCCCCC(C)O O111526 [0,0,0,0,0,0|0,0,2]=2 45 B8R0.7 CCCCCCC(C)O O111527 [0,0,0,0,0,0|0,0,2]=2 46 B8R0.7 CCCCCCC(C)O O111528 [0,0,0,0,0,0|0,0,2]=2 47 B8R0.7 CCCCCCC(C)O R160889 [0,0,0,0,0,0|0,0,2]=2 48 B8R0.7 CCCCCCC(C)O S161171 [0,0,0,0,0,0|0,0,2]=2 49 B8R0.7 CCCCCCN(C)C N303722 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.7 CCCCCOC(=O)C A103450 [0,0,0,0,0,0|1,0,0]=1 51 B8R0.7 CCCCCOC(=O)C A103451 [0,0,0,0,0,0|1,0,0]=1 52 B8R0.7 CCCCCOC(=O)C A103452 [0,0,0,0,0,0|1,0,0]=1 53 B8R0.7 CCCCCOC(=O)Cl A139129 [0,0,0,0,0,0|2,0,0]=2 54 B8R0.7 CCCCCOC(=S)[S-] P160308 [0,0,0,0,0,0|2,1,0]=3 55 B8R0.7 CCCCCO[N+](=O)[O-] A165297 [0,0,0,0,0,0|3,0,0]=3 56 B8R0.7 CCCCOCC(=O)O B152317 [0,0,0,0,0,0|2,0,0]=2 57 B8R0.7 CCCCOCC(C)O B151801 [0,0,0,0,0,0|1,0,2]=3 58 B8R0.7 CCOCCOC(=O)C E105181 [0,0,0,0,0,0|2,0,0]=2 59 B8R0.7 CCOCCOC(=O)C E105183 [0,0,0,0,0,0|2,0,0]=2 60 B8R0.7 CCOCCOC(=O)C E105184 [0,0,0,0,0,0|2,0,0]=2 61 B8R0.7 CN(C)CCOCCO D124510 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.7 COCCOCC(=O)O M138320 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.7 CS(=O)CCCN=C=S I303824 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.1 C#CCCCCCO H135241 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.1 C(CCC#N)CCN A303171 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.1 C(CCC=O)CC=O A302164 [1,0,0,0,0,0|1,0,1]=3 67 B7R0.1 C(CCCBr)CCBr D106541 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.1 C(CCCBr)CCCl B111196 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.1 C(CCCBr)CCF B405383 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.1 C(CCCBr)CCO B138834 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.1 C(CCCBr)CCO S304692 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.1 C(CCCCl)CCCl D110131 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.1 C(CCCCl)CCO C109454 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.1 C(CCCI)CCCl C153665 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.1 C(CCCI)CCI D119377 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.1 C(CCCN)CCN D134228 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.1 C(CCCN)CCN H103908 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.1 C(CCCN)CCN H103909 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.1 C(CCCN)CCN H103910 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.1 C(CCCO)CCN A101232 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.1 C(CCCO)CCO H103707 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.1 C(CCCO)CCO H103708 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.1 C(CCCS)CCN A487010 [1,0,0,0,0,0|1,1,1]=4 84 B7R0.1 C(CCCS)CCO M123042 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.1 C(CCCS)CCO M299208 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.1 C(CCCS)CCS H106695 [1,0,0,0,0,0|1,1,1]=4 87 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.1 C=CCCCCC=C O159998 [1,0,0,0,0,0|0,0,3]=4 91 B7R0.1 C=CCCCCCBr B134159 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.1 C=CCCCCCO H156869 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.1 C=COCCCCO T161688 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.1 C=COCCCCO T299067 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.1 CCC=CCCC=O C154040 [1,0,0,0,0,0|0,0,2]=3 96 B7R0.1 CCCC#CCCC O106927 [1,0,0,0,0,0|0,0,3]=4 97 B7R0.1 CCCC=CCCC C153585 [1,0,0,0,0,0|0,0,3]=4 98 B7R0.1 CCCC=CCCC T161815 [1,0,0,0,0,0|0,0,3]=4 99 B7R0.1 CCCCC=CC=O T161484 [1,0,0,0,0,0|0,0,2]=3 100 B7R0.1 CCCCC=CCC C153584 [1,0,0,0,0,0|0,0,3]=4 101 B7R0.1 CCCCC=CCC T161817 [1,0,0,0,0,0|0,0,3]=4 102 B7R0.1 CCCCCC=CC C153583 [1,0,0,0,0,0|0,0,1]=2 103 B7R0.1 CCCCCC=CC O159996 [1,0,0,0,0,0|0,0,1]=2 104 B7R0.1 CCCCCC=CC T161814 [1,0,0,0,0,0|0,0,1]=2 105 B7R0.1 CCCCCCC#C O109633 [1,0,0,0,0,0|0,0,2]=3 106 B7R0.1 CCCCCCC#N H156965 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.1 CCCCCCC=C O108659 [1,0,0,0,0,0|0,0,1]=2 108 B7R0.1 CCCCCCC=C O108660 [1,0,0,0,0,0|0,0,1]=2 109 B7R0.1 CCCCCCC=O H105934 [1,0,0,0,0,0|0,0,0]=1 110 B7R0.1 CCCCCCC=O H105935 [1,0,0,0,0,0|0,0,0]=1 111 B7R0.1 CCCCCCCBr B109258 [1,0,0,0,0,0|1,0,1]=3 112 B7R0.1 CCCCCCCC O100577 [1,0,0,0,0,0|0,0,1]=2 113 B7R0.1 CCCCCCCC O100578 [1,0,0,0,0,0|0,0,1]=2 114 B7R0.1 CCCCCCCC O100580 [1,0,0,0,0,0|0,0,1]=2 115 B7R0.1 CCCCCCCC O100581 [1,0,0,0,0,0|0,0,1]=2 116 B7R0.1 CCCCCCCC O119714 [1,0,0,0,0,0|0,0,1]=2 117 B7R0.1 CCCCCCCCl C153657 [1,0,0,0,0,0|1,0,1]=3 118 B7R0.1 CCCCCCCI I157581 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.1 CCCCCCCN H113175 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.1 CCCCCCCO H108210 [1,0,0,0,0,0|0,0,2]=3 121 B7R0.1 CCCCCCCO H108211 [1,0,0,0,0,0|0,0,2]=3 122 B7R0.1 CCCCCCCO H108212 [1,0,0,0,0,0|0,0,2]=3 123 B7R0.1 CCCCCCCS H102322 [1,0,0,0,0,0|0,1,1]=3 124 B7R0.1 CCCCCCNC N341547 [1,0,0,0,0,0|1,0,0]=2 125 B7R0.1 CCCCCCOC H157292 [1,0,0,0,0,0|1,0,0]=2 126 B7R0.1 CCCCCN=C=O P352487 [1,0,0,0,0,0|1,0,1]=3 127 B7R0.1 CCCCCOC=O A151451 [1,0,0,0,0,0|1,0,0]=2 128 B7R0.1 CCCCCON=O A151126 [1,0,0,0,0,0|2,0,0]=3 129 B7R0.1 CCCCNCCN N159361 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.1 CCCCNCCO B140397 [1,0,0,0,0,0|1,0,2]=4 131 B7R0.1 CCCCNCCO B299088 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.1 CCCCNCCS B469395 [1,0,0,0,0,0|1,1,1]=4 133 B7R0.1 CCCCOCC=C A151096 [1,0,0,0,0,0|1,0,1]=3 134 B7R0.1 CCCCOCCCl B152831 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.1 CCCCOCCN B357161 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.1 CCCCOCCO E110823 [1,0,0,0,0,0|1,0,2]=4 137 B7R0.1 CCCCOCCO E110827 [1,0,0,0,0,0|1,0,2]=4 138 B7R0.1 CCCNCCCN I168897 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.1 CCCNCCOC N158962 [1,0,0,0,0,0|2,0,0]=3 140 B7R0.1 CCCSSCC=C A103096 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.1 CCCSSCCC D102910 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.1 CCNCCNCC N159359 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.1 CCOCCOCC E103986 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.1 CCOCCOCC E103987 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.1 CCOCCOCC E103989 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.1 COCCOCCBr B152835 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.1 COCCOCCI I586239 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.1 COCCOCCN M122033 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.1 COCCOCCO D104406 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.1 COCCOCCO D104407 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.1 COCCOCCO D104408 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.4 B(CCCCC)(O)O N193507 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.4 C#CCCCC(=O)O H111132 [1,0,0,0,0,0|1,0,2]=4 154 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,0,0,0,0|2,0,0]=3 156 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,0,0,0,0|2,0,0]=3 157 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,0,0,0,0|2,0,0]=3 158 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,0,0,0,0|2,0,0]=3 165 B7R0.4 C(CCl)OCC(=O)N C193030 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.4 C=CCCCC(=O)O H157078 [1,0,0,0,0,0|1,0,2]=4 168 B7R0.4 CC(=O)CCCC#N K157732 [1,0,0,0,0,0|1,0,1]=3 169 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|1,0,0]=2 170 B7R0.4 CC(=O)OCCCCl C135233 [1,0,0,0,0,0|2,0,0]=3 171 B7R0.4 CC(=O)OCCOC M106167 [1,0,0,0,0,0|2,0,0]=3 172 B7R0.4 CC(=O)SCCCBr B333089 [1,0,0,0,0,0|2,0,0]=3 173 B7R0.4 CC(CCCCO)O H474422 [1,0,0,0,0,0|1,0,2]=4 174 B7R0.4 CCC=CCC(=O)O H101494 [1,0,0,0,0,0|1,0,2]=4 175 B7R0.4 CCCC=CC(=O)C H156932 [1,0,0,0,0,0|0,0,2]=3 176 B7R0.4 CCCC=CC(=O)O H107513 [1,0,0,0,0,0|1,0,2]=4 177 B7R0.4 CCCC=CC(=O)O H400070 [1,0,0,0,0,0|1,0,2]=4 178 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|1,0,0]=2 179 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|0,0,0]=1 180 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|0,0,0]=1 181 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|1,0,0]=2 182 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|1,0,0]=2 183 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|1,0,0]=2 184 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|1,0,0]=2 185 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|1,0,0]=2 186 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|1,0,0]=2 187 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|1,0,0]=2 188 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|1,0,0]=2 189 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|1,0,0]=2 190 B7R0.4 CCCCCC(C)C M113649 [1,0,0,0,0,0|1,0,1]=3 191 B7R0.4 CCCCCC(C)C M406726 [1,0,0,0,0,0|1,0,1]=3 192 B7R0.4 CCCCCC(C)N A166657 [1,0,0,0,0,0|1,0,1]=3 193 B7R0.4 CCCCCC(C)N A421028 [1,0,0,0,0,0|1,0,1]=3 194 B7R0.4 CCCCCC(C)N S474322 [1,0,0,0,0,0|1,0,1]=3 195 B7R0.4 CCCCCC(C)O H100747 [1,0,0,0,0,0|0,0,2]=3 196 B7R0.4 CCCCCC(C)O I137289 [1,0,0,0,0,0|0,0,2]=3 197 B7R0.4 CCCCNC(=O)N B152704 [1,0,0,0,0,0|2,0,0]=3 198 B7R0.4 CCCCNC(=S)N B181673 [1,0,0,0,0,0|2,1,0]=4 199 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|1,0,0]=2 200 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|1,0,0]=2 201 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|1,0,0]=2 202 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|1,0,0]=2 203 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|1,0,0]=2 204 B7R0.4 CCCCOC(=O)N B152422 [1,0,0,0,0,0|2,0,0]=3 205 B7R0.4 CCCCOC(=S)[S-] P160349 [1,0,0,0,0,0|2,1,0]=4 206 B7R0.4 CCCCO[N+](=O)[O-] N334844 [1,0,0,0,0,0|3,0,0]=4 207 B7R0.4 CCCOCC(C)O P160113 [1,0,0,0,0,0|1,0,2]=4 208 B7R0.4 CCNCCN(C)C I166658 [1,0,0,0,0,0|3,0,0]=4 209 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|1,0,0]=2 210 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|2,0,0]=3 211 B7R0.4 CN(C)CCCCN B301211 [1,0,0,0,0,0|3,0,0]=4 212 B7R0.4 CNCCCC(=O)O M276212 [1,0,0,0,0,0|2,0,0]=3 213 B7R0.4 CNCCCC(=O)O M397624 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.4 CNCCCN(C)C I170434 [1,0,0,0,0,0|3,0,0]=4 215 B7R0.4 COCCCC(=O)O M192558 [1,0,0,0,0,0|2,0,0]=3 216 B7R0.4 COCCOC(=O)Cl M158778 [1,0,0,0,0,0|3,0,0]=4 217 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,0,0,0,0|1,0,1]=3 218 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,0,0,0,0|1,0,1]=3 219 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,1,0,0,0,0|1,0,1]=3 220 B9R0.1 CC(CCOC(=O)C)OC M118697 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.1 CCC(C)CCCC(C)C D154774 [0,1,0,0,0,0|1,0,1]=3 222 B9R0.1 CCC(C)OCCC(=O)C S161386 [0,1,0,0,0,0|1,0,0]=2 223 B9R0.1 COC(=O)CCCC(=O)Cl G104122 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.1 COC(=O)CCCC(=O)O M102986 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.2 C#CCCCCCC(=O)O O491862 [0,1,0,0,0,0|1,0,1]=3 226 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,1,0,0,0,0|1,0,0]=2 227 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,1,0,0,0,0|1,0,0]=2 228 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,1,0,0,0,0|1,0,0]=2 229 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,1,0,0,0,0|1,0,0]=2 230 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,1,0,0,0,0|1,0,0]=2 231 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O A151193 [0,1,0,0,0,0|3,0,0]=4 232 B9R0.2 C=CCCCCCC(=O)O O168152 [0,1,0,0,0,0|1,0,1]=3 233 B9R0.2 CC(=O)NCCCCCN N159177 [0,1,0,0,0,0|1,0,0]=2 234 B9R0.2 CC(=O)NCCCCCN N423313 [0,1,0,0,0,0|1,0,0]=2 235 B9R0.2 CC(=O)OCCCCC=C H157305 [0,1,0,0,0,0|0,0,2]=3 236 B9R0.2 CC(=O)OCCCCCBr B152865 [0,1,0,0,0,0|1,0,0]=2 237 B9R0.2 CC(C)CCCCCC=O M333901 [0,1,0,0,0,0|1,0,2]=4 238 B9R0.2 CC(C)NCCCCCO I157485 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.2 CCC=CCCOC(=O)C H101224 [0,1,0,0,0,0|0,0,2]=3 240 B9R0.2 CCCC=CCOC(=O)C H117236 [0,1,0,0,0,0|0,0,2]=3 241 B9R0.2 CCCCCC#CC(=O)O B301308 [0,1,0,0,0,0|1,0,1]=3 242 B9R0.2 CCCCCC=CC(=O)C N302867 [0,1,0,0,0,0|0,0,1]=2 243 B9R0.2 CCCCCC=CC(=O)O T162199 [0,1,0,0,0,0|1,0,1]=3 244 B9R0.2 CCCCCC=CC(=O)O T422289 [0,1,0,0,0,0|1,0,1]=3 245 B9R0.2 CCCCCCCC(=O)C N105585 [0,1,0,0,0,0|0,0,0]=1 246 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,1,0,0,0,0|1,0,0]=2 247 B9R0.2 CCCCCCCC(=O)N N159412 [0,1,0,0,0,0|1,0,0]=2 248 B9R0.2 CCCCCCCC(=O)O N421038 [0,1,0,0,0,0|1,0,0]=2 249 B9R0.2 CCCCCCCC(=O)O O108276 [0,1,0,0,0,0|1,0,0]=2 250 B9R0.2 CCCCCCCC(=O)O O108277 [0,1,0,0,0,0|1,0,0]=2 251 B9R0.2 CCCCCCCC(=O)O O108278 [0,1,0,0,0,0|1,0,0]=2 252 B9R0.2 CCCCCCCC(=O)O O108279 [0,1,0,0,0,0|1,0,0]=2 253 B9R0.2 CCCCCCCC(=O)O O431649 [0,1,0,0,0,0|1,0,0]=2 254 B9R0.2 CCCCCCCC(=O)O R113304 [0,1,0,0,0,0|1,0,0]=2 255 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,1,0,0,0,0|1,0,0]=2 256 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,1,0,0,0,0|1,0,0]=2 257 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,1,0,0,0,0|1,0,0]=2 258 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,1,0,0,0,0|1,0,0]=2 259 B9R0.2 CCCCCCCC(C)C M158518 [0,1,0,0,0,0|1,0,1]=3 260 B9R0.2 CCCCCCCC(C)C M406711 [0,1,0,0,0,0|1,0,1]=3 261 B9R0.2 CCCCCCCC(C)O N159697 [0,1,0,0,0,0|0,0,2]=3 262 B9R0.2 CCCCCCCC(C)O N298586 [0,1,0,0,0,0|0,0,2]=3 263 B9R0.2 CCCCCCOC(=O)C H111061 [0,1,0,0,0,0|0,0,0]=1 264 B9R0.2 CCCCCCOC(=O)C H111062 [0,1,0,0,0,0|0,0,0]=1 265 B9R0.2 CCCCCCOC(=O)C H111063 [0,1,0,0,0,0|0,0,0]=1 266 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,1,0,0,0,0|1,0,0]=2 267 B9R0.2 CCCNCCCN(C)C D587926 [0,1,0,0,0,0|2,0,0]=3 268 B9R0.2 CN(C)CCCCCCO D133261 [0,1,0,0,0,0|2,0,0]=3 269 B9R0.2 COCCCCCC(=O)O M170253 [0,1,0,0,0,0|1,0,0]=2 270 B9R0.2 CS(=O)CCCCN=C=S D424040 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.2 CS(=O)CCCCN=C=S R131741 [0,1,0,0,0,0|2,0,1]=4 272 B9R0.2 CS(=O)CCCCN=C=S S111997 [0,1,0,0,0,0|2,0,1]=4 273 B9R0.2 CS(=O)CCCCN=C=S S140384 [0,1,0,0,0,0|2,0,1]=4 274 B9R0.4 CCCCC(CC(=O)O)N A165644 [0,1,0,0,0,0|1,0,0]=2 275 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,1,0,0,0,0|1,0,1]=3 276 B9R0.38 CCCCCCP(=O)(O)O H157410 [0,1,0,0,0,0|2,0,0]=3 277 B9R0.38 CCCCCCS(=O)(=O)[O-] H189073 [0,1,0,0,0,0|2,0,0]=3 278 B9R0.38 CCCCCCS(=O)(=O)[O-] S104947 [0,1,0,0,0,0|2,0,0]=3 279 B9R0.38 CCCCCCS(=O)(=O)[O-] S104948 [0,1,0,0,0,0|2,0,0]=3 280 B9R0.38 CCCCCC[N+](C)(C)C H157080 [0,1,0,0,0,0|2,0,0]=3 281 B9R0.38 CCCCCC[Si](C)(C)Cl C405518 [0,1,0,0,0,0|1,1,0]=3 282 B9R0.38 CCCCCC[Si](C)(Cl)Cl D154169 [0,1,0,0,0,0|1,1,0]=3 283 B9R0.38 CCCCCC[Si](Cl)(Cl)Cl T162720 [0,1,0,0,0,0|2,1,0]=4 284 B9R0.46 C=CC(=O)OCCCCO H156908 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.46 CCCCCCC(=O)CC N158994 [0,1,0,0,0,0|0,0,0]=1 286 B9R0.46 CCCCCCC(=O)OC M158054 [0,1,0,0,0,0|0,0,0]=1 287 B9R0.46 CCCCCCC(=O)OC M158149 [0,1,0,0,0,0|0,0,0]=1 288 B9R0.46 CCCCCCC(C)CC M158519 [0,1,0,0,0,0|1,0,1]=3 289 B9R0.46 CCCCCCC(CC)O N159698 [0,1,0,0,0,0|0,0,2]=3 290 B9R0.46 CCCCCCC(CO)O O108069 [0,1,0,0,0,0|0,0,2]=3 291 B9R0.46 CCCCCOC(=O)C=C P588632 [0,1,0,0,0,0|1,0,1]=3 292 B9R0.46 CCCCCOC(=O)CC P137733 [0,1,0,0,0,0|1,0,0]=2 293 B9R0.46 CCOCCOC(=O)C=C E586300 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.46 COC(=O)CCCCCN M138421 [0,1,0,0,0,0|1,0,0]=2 295 B9R0.46 COCCCNC(=O)C=C N477318 [0,1,0,0,0,0|2,0,1]=4 296 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [0,1,0,0,0,0|2,0,0]=3 297 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [0,1,0,0,0,0|2,0,0]=3 298 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [0,1,0,0,0,0|2,0,0]=3 299 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [0,1,0,0,0,0|2,0,0]=3 300 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [0,1,0,0,0,0|2,0,0]=3 301 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [0,1,0,0,0,0|2,0,0]=3 302 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [0,1,0,0,0,0|2,0,0]=3 303 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [0,1,0,0,0,0|2,0,0]=3 304 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [0,1,0,0,0,0|2,0,0]=3 305 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [0,1,0,0,0,0|2,0,0]=3 306 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [0,1,0,0,0,0|2,0,0]=3 307 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [0,1,0,0,0,0|2,0,0]=3 308 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [0,1,0,0,0,0|2,0,0]=3 309 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [0,1,0,0,0,0|2,0,0]=3 310 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [0,1,0,0,0,0|2,0,0]=3 311 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [0,1,0,0,0,0|2,0,0]=3 312 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [0,1,0,0,0,0|2,0,0]=3 313 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [0,1,0,0,0,0|2,0,0]=3 314 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [0,1,0,0,0,0|2,0,0]=3 315 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [0,1,0,0,0,0|2,0,0]=3 316 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [0,1,0,0,0,0|2,0,0]=3 317 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [0,1,0,0,0,0|2,0,0]=3 318 B9R0.47 C(CSCC(C(=O)O)N)N S170219 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,1,0,0,0,0|0,0,1]=2 320 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,1,0,0,0,0|1,0,0]=2 321 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,1,0,0,0,0|1,0,0]=2 322 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,0,0,0,0|1,0,0]=2 323 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,1,0,0,0,0|2,0,1]=4 324 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,1,0,0,0,0|2,0,1]=4 325 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.47 CCSCCC(C(=O)O)N E117217 [0,1,0,0,0,0|2,0,0]=3 327 B9R0.47 CCSCCC(C(=O)O)N E117218 [0,1,0,0,0,0|2,0,0]=3 328 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,1,0,0,0,0|1,0,1]=3 329 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,1,0,0,0,0|2,0,1]=4 331 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,1,0,0,0,0|2,0,1]=4 332 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [0,1,0,0,0,0|2,0,1]=4 333 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,1,0,0,0,0|2,0,1]=4 335 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,1,0,0,0,0|2,0,1]=4 336 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,1,0,0,0,0|2,0,1]=4 337 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,1,0,0,0,0|2,0,1]=4 338 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,1,0,0,0,0|2,0,1]=4 339 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,1,0,0,0,0|2,0,1]=4 340 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,1,0,0,0,0|2,0,1]=4 342 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,1,0,0,0,0|2,0,1]=4 343 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [0,1,0,0,0,0|2,0,1]=4 344 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [0,1,0,0,0,0|2,0,1]=4 345 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,1,0,0,0,0|1,0,1]=3 346 B9R0.55 CC(=O)NCCCC(=O)O A169398 [0,1,0,0,0,0|2,0,1]=4 347 B9R0.55 CC(=O)OCCOC(=O)C E156135 [0,1,0,0,0,0|2,0,1]=4 348 B9R0.55 CC(=O)OCCOC(=O)C E196368 [0,1,0,0,0,0|2,0,1]=4 349 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,1,0,0,0,0|1,0,0]=2 350 B9R0.55 CN(C)CCCCN(C)C N159138 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.2 CCC1CCCC(C1)C E156078 [0,0,0,1,0,0|1,0,1]=3 352 B9R1.2 CCN1CCCC(C1)O E156421 [0,0,0,1,0,0|1,0,2]=4 353 B9R1.2 CN1CCCC(C1)CO M158768 [0,0,0,1,0,0|3,0,0]=4 354 B9R1.6 B(C1CCCCC1)(O)O C120310 [0,0,0,1,0,0|2,0,1]=4 355 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [0,0,0,1,0,0|1,0,2]=4 356 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [0,0,0,1,0,0|1,0,2]=4 357 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [0,0,0,1,0,0|1,0,2]=4 358 B9R1.6 C1CC(CNC1)C(=O)N P121557 [0,0,0,1,0,0|2,0,0]=3 359 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,0,1,0,0|2,0,0]=3 360 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,0,1,0,0|2,0,0]=3 361 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,0,1,0,0|2,0,0]=3 362 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,0,1,0,0|2,0,0]=3 363 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [0,0,0,1,0,0|1,0,2]=4 364 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [0,0,0,1,0,0|1,0,0]=2 365 B9R1.6 C1CCC(CC1)C(=O)N C131942 [0,0,0,1,0,0|1,0,0]=2 366 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,0,1,0,0|1,0,0]=2 367 B9R1.6 C1CCN(CC1)C(=O)Cl P468726 [0,0,0,1,0,0|2,0,0]=3 368 B9R1.6 C1CCN(CC1)C(=S)N P299899 [0,0,0,1,0,0|2,1,0]=4 369 B9R1.6 C1CCNC(C1)C(=O)N P160119 [0,0,0,1,0,0|2,0,0]=3 370 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,0,1,0,0|2,0,0]=3 371 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,0,1,0,0|2,0,0]=3 372 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,0,1,0,0|2,0,0]=3 373 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,0,1,0,0|2,0,0]=3 374 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,0,1,0,0|2,0,0]=3 375 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,0,1,0,0|2,0,0]=3 376 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,0,1,0,0|2,0,0]=3 377 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,0,1,0,0|2,0,0]=3 378 B9R1.6 C1CNC(CN1)C(=O)O P119067 [0,0,0,1,0,0|3,0,0]=4 379 B9R1.6 C1CNC(CN1)C(=O)O P119070 [0,0,0,1,0,0|3,0,0]=4 380 B9R1.6 C1CNC(CN1)C(=O)O P124229 [0,0,0,1,0,0|3,0,0]=4 381 B9R1.6 C1CNC(CN1)C(=O)O P124230 [0,0,0,1,0,0|3,0,0]=4 382 B9R1.6 C1CNCCC1C(=O)N P122896 [0,0,0,1,0,0|2,0,0]=3 383 B9R1.6 C1CNCCC1C(=O)O I109586 [0,0,0,1,0,0|2,0,0]=3 384 B9R1.6 C1COC(CO1)C(=O)O D187857 [0,0,0,1,0,0|3,0,0]=4 385 B9R1.6 C1COC(CO1)C(=O)O S587772 [0,0,0,1,0,0|3,0,0]=4 386 B9R1.6 C1COCC(N1)C(=O)O M194498 [0,0,0,1,0,0|3,0,0]=4 387 B9R1.6 C1COCCC1C(=O)Cl T170160 [0,0,0,1,0,0|2,0,0]=3 388 B9R1.6 C1COCCC1C(=O)O T161847 [0,0,0,1,0,0|2,0,0]=3 389 B9R1.6 C1COCCC1S(=O)[O-] S486732 [0,0,0,1,0,0|3,0,0]=4 390 B9R1.6 C1COCCN1C(=O)Cl M157857 [0,0,0,1,0,0|3,0,0]=4 391 B9R1.6 C1CSCCC1C(=O)O T178063 [0,0,0,1,0,0|2,0,0]=3 392 B9R1.6 CC(=O)C1CCCCC1 C139296 [0,0,0,1,0,0|0,0,0]=1 393 B9R1.6 CC(=O)N1CCCCC1 A151604 [0,0,0,1,0,0|1,0,0]=2 394 B9R1.6 CC(=O)N1CCNCC1 A111059 [0,0,0,1,0,0|2,0,0]=3 395 B9R1.6 CC(=O)N1CCOCC1 A112972 [0,0,0,1,0,0|2,0,0]=3 396 B9R1.6 CC(C)C1CCCCC1 I157551 [0,0,0,1,0,0|1,0,1]=3 397 B9R1.6 CC(C)C1CCNCC1 I157674 [0,0,0,1,0,0|2,0,1]=4 398 B9R1.6 CC(C1CCCCC1)N R160854 [0,0,0,1,0,0|1,0,1]=3 399 B9R1.6 CC(C1CCCCC1)N S161320 [0,0,0,1,0,0|1,0,1]=3 400 B9R1.6 CC(C1CCCCC1)O C166344 [0,0,0,1,0,0|0,0,2]=3 401 B9R1.6 CN(C)C1CCCCC1 D103895 [0,0,0,1,0,0|2,0,0]=3 402 B9R1.6 CN(C)C1CCNCC1 D135923 [0,0,0,1,0,0|3,0,0]=4 403 B9R1.6 CN(C)C1CCNCC1 D184840 [0,0,0,1,0,0|3,0,0]=4 404 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,0,0,1,0,0|1,0,0]=2 405 B9R1.7 CCOC1=CC(=O)CC1 E344140 [0,0,0,1,0,0|1,0,2]=4 406 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [0,0,0,1,0,0|1,0,2]=4 407 B9R1.13 C1CC(NC1)CC(=O)O L465252 [0,0,0,1,0,0|2,0,0]=3 408 B9R1.13 C1CC(OC1)CC(=O)O T354856 [0,0,0,1,0,0|2,0,0]=3 409 B9R1.13 C1CCC(C1)CC(=O)O C113786 [0,0,0,1,0,0|1,0,0]=2 410 B9R1.13 C1CCC(C1)OC(=O)Cl C184850 [0,0,0,1,0,0|2,0,0]=3 411 B9R1.13 C1CCC(C1)OC(=O)Cl C299675 [0,0,0,1,0,0|2,0,0]=3 412 B9R1.13 C1CCN(C1)CC(=O)O P345179 [0,0,0,1,0,0|2,0,0]=3 413 B9R1.13 CC(=O)NC1CCNC1 A405598 [0,0,0,1,0,0|2,0,0]=3 414 B9R1.13 CC(=O)NC1CCNC1 N172909 [0,0,0,1,0,0|2,0,0]=3 415 B9R1.13 CC(=O)NC1CCNC1 R160861 [0,0,0,1,0,0|2,0,0]=3 416 B9R1.13 CC(CN1CCCC1)N P170676 [0,0,0,1,0,0|2,0,1]=4 417 B9R1.41 C1CNC(C1O)C(=O)O S176477 [0,0,0,1,0,0|3,0,0]=4 418 B9R1.41 CC(=O)C1CCCC1=O A100983 [0,0,0,1,0,0|1,0,1]=3 419 B9R1.41 CC(=O)C1CCCC1=O A489643 [0,0,0,1,0,0|1,0,1]=3 420 B9R1.41 CC(=O)C1CCOC1=O A108065 [0,0,0,1,0,0|2,0,1]=4 421 B9R1.41 CC(=O)N1CCCC1=O A151305 [0,0,0,1,0,0|2,0,1]=4 422 B9R1.41 CN1CCCC1C(=O)O M101560 [0,0,0,1,0,0|2,0,0]=3 423 B9R1.41 CN1CCCC1C(=O)O N170507 [0,0,0,1,0,0|2,0,0]=3 424 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [0,0,0,1,0,0|1,0,1]=3 425 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,0,0,1,0,0|2,0,1]=4 426 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,0,0,1,0,0|0,0,0]=1 427 B9R1.50 C1CCCC(CCC1)N C153969 [0,0,0,1,0,0|1,0,1]=3 428 B9R1.50 C1CCCC(CCC1)O C153307 [0,0,0,1,0,0|0,0,2]=3 429 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,0,0,1,0,0|1,0,0]=2 430 B9R1.83 CCCCCCC1CO1 E113793 [0,0,0,1,0,0|0,0,2]=3 431 B9R1.83 CCCCOCC1CO1 B152235 [0,0,0,1,0,0|1,0,2]=4 432 B6R0.6 C(CC=O)CC=O G105905 [2,0,0,0,0,0|1,0,1]=4 433 B6R0.6 C(CC=O)CC=O G105906 [2,0,0,0,0,0|1,0,1]=4 434 B6R0.6 C(CC=O)CC=O G105907 [2,0,0,0,0,0|1,0,1]=4 435 B6R0.6 C(CC=O)CC=O G105908 [2,0,0,0,0,0|1,0,1]=4 436 B6R0.6 C(CC=O)CC=O G359127 [2,0,0,0,0,0|1,0,1]=4 437 B6R0.6 C(CC=O)CC=O G598815 [2,0,0,0,0,0|1,0,1]=4 438 B6R0.6 C(CC=O)CC=O G639768 [2,0,0,0,0,0|1,0,1]=4 439 B6R0.6 C(CCBr)CCBr D106538 [2,0,0,0,0,0|2,0,0]=4 440 B6R0.6 C(CCCl)CCBr B109691 [2,0,0,0,0,0|2,0,0]=4 441 B6R0.6 C(CCCl)CCCl D105687 [2,0,0,0,0,0|2,0,0]=4 442 B6R0.6 C(CCF)CCBr B303673 [2,0,0,0,0,0|2,0,0]=4 443 B6R0.6 C(CCI)CCI D155300 [2,0,0,0,0,0|2,0,0]=4 444 B6R0.6 C(CCN)CCN D111805 [2,0,0,0,0,0|2,0,0]=4 445 B6R0.6 C(CCN)CCN D121817 [2,0,0,0,0,0|2,0,0]=4 446 B6R0.6 C(CCN)CCN D283638 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.6 C(CCN)CCN D421724 [2,0,0,0,0,0|2,0,0]=4 448 B6R0.6 C(CCN)CCO A107210 [2,0,0,0,0,0|1,0,1]=4 449 B6R0.6 C(CCN)CCO A565375 [2,0,0,0,0,0|1,0,1]=4 450 B6R0.6 C(CCO)CCBr B135090 [2,0,0,0,0,0|1,0,1]=4 451 B6R0.6 C(CCO)CCCl C153897 [2,0,0,0,0,0|1,0,1]=4 452 B6R0.6 C(CCO)CCO P105588 [2,0,0,0,0,0|1,0,1]=4 453 B6R0.6 C(CCS)CCS P102332 [2,0,0,0,0,0|1,1,0]=4 454 B6R0.6 C=CCCCCBr B122541 [2,0,0,0,0,0|1,0,1]=4 455 B6R0.6 C=CCCCCCl C115790 [2,0,0,0,0,0|1,0,1]=4 456 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|1,0,1]=4 457 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|1,0,1]=4 458 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|0,0,2]=4 459 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|0,0,2]=4 460 B6R0.6 CCCCCC#C H100842 [2,0,0,0,0,0|0,0,2]=4 461 B6R0.6 CCCCCC#N H157040 [2,0,0,0,0,0|1,0,1]=4 462 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|0,0,1]=3 463 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|0,0,1]=3 464 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|0,0,1]=3 465 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|0,0,0]=2 466 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|0,0,0]=2 467 B6R0.6 CCCCCCBr B105244 [2,0,0,0,0,0|1,0,0]=3 468 B6R0.6 CCCCCCBr B471923 [2,0,0,0,0,0|1,0,0]=3 469 B6R0.6 CCCCCCC H108102 [2,0,0,0,0,0|0,0,0]=2 470 B6R0.6 CCCCCCC H108103 [2,0,0,0,0,0|0,0,0]=2 471 B6R0.6 CCCCCCC H108105 [2,0,0,0,0,0|0,0,0]=2 472 B6R0.6 CCCCCCC H108108 [2,0,0,0,0,0|0,0,0]=2 473 B6R0.6 CCCCCCC H108111 [2,0,0,0,0,0|0,0,0]=2 474 B6R0.6 CCCCCCC H108112 [2,0,0,0,0,0|0,0,0]=2 475 B6R0.6 CCCCCCC H118382 [2,0,0,0,0,0|0,0,0]=2 476 B6R0.6 CCCCCCC H119701 [2,0,0,0,0,0|0,0,0]=2 477 B6R0.6 CCCCCCCl C109280 [2,0,0,0,0,0|1,0,0]=3 478 B6R0.6 CCCCCCCl C109281 [2,0,0,0,0,0|1,0,0]=3 479 B6R0.6 CCCCCCI I157578 [2,0,0,0,0,0|1,0,0]=3 480 B6R0.6 CCCCCCN H105333 [2,0,0,0,0,0|1,0,0]=3 481 B6R0.6 CCCCCCN H157035 [2,0,0,0,0,0|1,0,0]=3 482 B6R0.6 CCCCCCN H292813 [2,0,0,0,0,0|1,0,0]=3 483 B6R0.6 CCCCCCN H491868 [2,0,0,0,0,0|1,0,0]=3 484 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|0,0,1]=3 485 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|0,0,1]=3 486 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|0,0,1]=3 487 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|0,0,1]=3 488 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|0,0,1]=3 489 B6R0.6 CCCCCCS H100786 [2,0,0,0,0,0|0,1,0]=3 490 B6R0.6 CCCCCCS H299109 [2,0,0,0,0,0|0,1,0]=3 491 B6R0.6 CCCCCC[NH3+] H292817 [2,0,0,0,0,0|1,0,0]=3 492 B6R0.6 CCCCCC[NH3+] H492547 [2,0,0,0,0,0|1,0,0]=3 493 B6R0.6 CCCCCC[Si] H357381 [2,0,0,0,0,0|0,1,0]=3 494 B6R0.6 CCCCCNC M124210 [2,0,0,0,0,0|1,0,0]=3 495 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|1,0,0]=3 496 B6R0.6 CCCCNCC N158928 [2,0,0,0,0,0|1,0,0]=3 497 B6R0.6 CCCCOC=C B123186 [2,0,0,0,0,0|1,0,1]=4 498 B6R0.6 CCCCOC=C B123187 [2,0,0,0,0,0|1,0,1]=4 499 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|1,0,0]=3 500 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|1,0,0]=3 501 B6R0.6 CCCCON=O B134686 [2,0,0,0,0,0|2,0,0]=4 502 B6R0.6 CCCCSCC B152507 [2,0,0,0,0,0|1,0,0]=3 503 B6R0.6 CCCNCCC D100329 [2,0,0,0,0,0|1,0,0]=3 504 B6R0.6 CCCNCCC D100330 [2,0,0,0,0,0|1,0,0]=3 505 B6R0.6 CCCNCCC D154684 [2,0,0,0,0,0|1,0,0]=3 506 B6R0.6 CCCNCCC D404364 [2,0,0,0,0,0|1,0,0]=3 507 B6R0.6 CCCNCCN N336391 [2,0,0,0,0,0|2,0,0]=4 508 B6R0.6 CCCOCCC P160596 [2,0,0,0,0,0|1,0,0]=3 509 B6R0.6 CCCOCCCl C137234 [2,0,0,0,0,0|2,0,0]=4 510 B6R0.6 CCCOCCN P160362 [2,0,0,0,0,0|2,0,0]=4 511 B6R0.6 CCCOCCO P107659 [2,0,0,0,0,0|1,0,1]=4 512 B6R0.6 CCCOCCO P299319 [2,0,0,0,0,0|1,0,1]=4 513 B6R0.6 CCCSCC=C A135608 [2,0,0,0,0,0|1,0,1]=4 514 B6R0.6 CCCSCCC D102909 [2,0,0,0,0,0|1,0,0]=3 515 B6R0.6 CCNCCCO E300231 [2,0,0,0,0,0|1,0,1]=4 516 B6R0.6 CCOCCCN E156297 [2,0,0,0,0,0|2,0,0]=4 517 B6R0.6 CCOCCCO E108059 [2,0,0,0,0,0|1,0,1]=4 518 B6R0.6 CCOCCOC E331012 [2,0,0,0,0,0|2,0,0]=4 519 B6R0.6 CCOCOCC D109106 [2,0,0,0,0,0|2,0,0]=4 520 B6R0.6 CCOCOCC D139939 [2,0,0,0,0,0|2,0,0]=4 521 B6R0.6 CCSCCCO E300079 [2,0,0,0,0,0|1,0,1]=4 522 B6R0.6 CNCCCCO M193351 [2,0,0,0,0,0|1,0,1]=4 523 B6R0.6 CNCCCNC D124206 [2,0,0,0,0,0|2,0,0]=4 524 B6R0.6 COCCCCBr B152834 [2,0,0,0,0,0|2,0,0]=4 525 B6R0.6 COCCCCO B152046 [2,0,0,0,0,0|1,0,1]=4 526 B6R0.6 CSCCCCO M468928 [2,0,0,0,0,0|1,0,1]=4 527 B6R0.4 C(CC(=O)Cl)CBr B102197 [2,0,0,0,0,0|2,0,0]=4 528 B6R0.4 C(CC(=O)Cl)CCl C109449 [2,0,0,0,0,0|2,0,0]=4 529 B6R0.4 C(CC(=O)N)CCl C168978 [2,0,0,0,0,0|2,0,0]=4 530 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|2,0,0]=4 531 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|2,0,0]=4 532 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|2,0,0]=4 533 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|2,0,0]=4 534 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|2,0,0]=4 535 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|2,0,0]=4 536 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|2,0,0]=4 537 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|2,0,0]=4 538 B6R0.4 CC(=O)CCC=C H113634 [2,0,0,0,0,0|0,0,2]=4 539 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|1,0,0]=3 540 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|1,0,0]=3 541 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|1,0,0]=3 542 B6R0.4 CC(=O)NCCN A117219 [2,0,0,0,0,0|2,0,0]=4 543 B6R0.4 CC(=O)NCCO A112970 [2,0,0,0,0,0|2,0,0]=4 544 B6R0.4 CC(=O)NCCO A112971 [2,0,0,0,0,0|2,0,0]=4 545 B6R0.4 CC(=O)NCCS N347842 [2,0,0,0,0,0|2,0,0]=4 546 B6R0.4 CC(=O)OCCBr B102635 [2,0,0,0,0,0|2,0,0]=4 547 B6R0.4 CC(=O)OCCCl A140396 [2,0,0,0,0,0|2,0,0]=4 548 B6R0.4 CC(=O)OCCN A588049 [2,0,0,0,0,0|2,0,0]=4 549 B6R0.4 CC(=O)OCCO H156959 [2,0,0,0,0,0|2,0,0]=4 550 B6R0.4 CC(=O)SCCN T340735 [2,0,0,0,0,0|2,0,0]=4 551 B6R0.4 CCCCC(=N)N D305243 [2,0,0,0,0,0|2,0,0]=4 552 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,0]=3 553 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|0,0,0]=2 554 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|0,0,0]=2 555 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|0,0,0]=2 556 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|0,0,0]=2 557 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,0]=3 558 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,0]=3 559 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|1,0,0]=3 560 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|1,0,0]=3 561 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|1,0,0]=3 562 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|1,0,0]=3 563 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|1,0,0]=3 564 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|1,0,0]=3 565 B6R0.4 CCCCC(C)C M158516 [2,0,0,0,0,0|1,0,1]=4 566 B6R0.4 CCCCC(C)Cl C153661 [2,0,0,0,0,0|1,0,1]=4 567 B6R0.4 CCCCC(C)N B301374 [2,0,0,0,0,0|1,0,1]=4 568 B6R0.4 CCCCC(C)O H105565 [2,0,0,0,0,0|0,0,2]=4 569 B6R0.4 CCCCC(C)O I170762 [2,0,0,0,0,0|0,0,2]=4 570 B6R0.4 CCCCC(C)O R588494 [2,0,0,0,0,0|0,0,2]=4 571 B6R0.4 CCCCN(C)C D108036 [2,0,0,0,0,0|2,0,0]=4 572 B6R0.4 CCCC[N+](=O)[O-] N300420 [2,0,0,0,0,0|2,0,0]=4 573 B6R0.4 CCCC[Sn](=O)O M107696 [2,0,0,0,0,0|2,0,0]=4 574 B6R0.4 CCCNC(=O)N P589707 [2,0,0,0,0,0|2,0,0]=4 575 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|1,0,0]=3 576 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|1,0,0]=3 577 B6R0.4 CCCOC(=O)N P194271 [2,0,0,0,0,0|2,0,0]=4 578 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|1,0,0]=3 579 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|2,0,0]=4 580 B6R0.4 CCOCC(=O)Cl E293992 [2,0,0,0,0,0|2,0,0]=4 581 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|2,0,0]=4 582 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|2,0,0]=4 583 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|2,0,0]=4 584 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|2,0,0]=4 585 B6R0.4 CSCCC(=O)Cl M158416 [2,0,0,0,0,0|2,0,0]=4 586 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|2,0,0]=4 587 B8R0.1 CCCC(C)COC=O M158009 [1,1,0,0,0,0|1,0,0]=3 588 B8R0.1 CCCCC(=O)C=CC O160046 [1,1,0,0,0,0|0,0,2]=4 589 B8R0.1 CCCCC(=O)CCC O160045 [1,1,0,0,0,0|0,0,2]=4 590 B8R0.1 CCCCC(CCC)O O159906 [1,1,0,0,0,0|0,0,1]=3 591 B8R0.4 C#CCCCCCCBr B590235 [1,1,0,0,0,0|0,0,2]=4 592 B8R0.4 C#CCCCCCCN O587273 [1,1,0,0,0,0|0,0,2]=4 593 B8R0.4 C#CCCCCCCO O136501 [1,1,0,0,0,0|0,0,2]=4 594 B8R0.4 C(CCCBr)CCC#N B354089 [1,1,0,0,0,0|1,0,1]=4 595 B8R0.4 C(CCCBr)CCCBr D106496 [1,1,0,0,0,0|1,0,1]=4 596 B8R0.4 C(CCCN)CCCN D111099 [1,1,0,0,0,0|1,0,1]=4 597 B8R0.4 C(CCCN)CCCO A493194 [1,1,0,0,0,0|0,0,2]=4 598 B8R0.4 C(CCCO)CCCBr B132089 [1,1,0,0,0,0|0,0,2]=4 599 B8R0.4 C(CCCO)CCCO H136447 [1,1,0,0,0,0|0,0,2]=4 600 B8R0.4 C=CCCCCCCBr B134900 [1,1,0,0,0,0|0,0,1]=3 601 B8R0.4 C=CCCCCCCO O159908 [1,1,0,0,0,0|0,0,1]=3 602 B8R0.4 CCC=CCCCCO C153379 [1,1,0,0,0,0|1,0,1]=4 603 B8R0.4 CCC=CCCOC=O H117494 [1,1,0,0,0,0|0,0,2]=4 604 B8R0.4 CCCCCC#CCC N159650 [1,1,0,0,0,0|0,0,2]=4 605 B8R0.4 CCCCCC#CCCl C154112 [1,1,0,0,0,0|0,0,2]=4 606 B8R0.4 CCCCCC=CC=O O105936 [1,1,0,0,0,0|0,0,1]=3 607 B8R0.4 CCCCCC=CC=O O303154 [1,1,0,0,0,0|0,0,1]=3 608 B8R0.4 CCCCCC=CCO T161811 [1,1,0,0,0,0|0,0,1]=3 609 B8R0.4 CCCCCCCC#C N100831 [1,1,0,0,0,0|0,0,2]=4 610 B8R0.4 CCCCCCCC=C N109555 [1,1,0,0,0,0|0,0,1]=3 611 B8R0.4 CCCCCCCC=C N110481 [1,1,0,0,0,0|0,0,1]=3 612 B8R0.4 CCCCCCCC=O O106930 [1,1,0,0,0,0|0,0,0]=2 613 B8R0.4 CCCCCCCC=O O106931 [1,1,0,0,0,0|0,0,0]=2 614 B8R0.4 CCCCCCCC=O O345608 [1,1,0,0,0,0|0,0,0]=2 615 B8R0.4 CCCCCCCCBr B105260 [1,1,0,0,0,0|0,0,1]=3 616 B8R0.4 CCCCCCCCC N103391 [1,1,0,0,0,0|0,0,1]=3 617 B8R0.4 CCCCCCCCC N103392 [1,1,0,0,0,0|0,0,1]=3 618 B8R0.4 CCCCCCCCC N103393 [1,1,0,0,0,0|0,0,1]=3 619 B8R0.4 CCCCCCCCC N119711 [1,1,0,0,0,0|0,0,1]=3 620 B8R0.4 CCCCCCCCCl C111401 [1,1,0,0,0,0|0,0,1]=3 621 B8R0.4 CCCCCCCCCl C111402 [1,1,0,0,0,0|0,0,1]=3 622 B8R0.4 CCCCCCCCF F170468 [1,1,0,0,0,0|0,0,1]=3 623 B8R0.4 CCCCCCCCI I157580 [1,1,0,0,0,0|0,0,1]=3 624 B8R0.4 CCCCCCCCN N159007 [1,1,0,0,0,0|0,0,1]=3 625 B8R0.4 CCCCCCCCN N159690 [1,1,0,0,0,0|0,0,1]=3 626 B8R0.4 CCCCCCCCN O110545 [1,1,0,0,0,0|0,0,1]=3 627 B8R0.4 CCCCCCCCN O110546 [1,1,0,0,0,0|0,0,1]=3 628 B8R0.4 CCCCCCCCN O491873 [1,1,0,0,0,0|0,0,1]=3 629 B8R0.4 CCCCCCCCN O492190 [1,1,0,0,0,0|0,0,1]=3 630 B8R0.4 CCCCCCCCO O103324 [1,1,0,0,0,0|0,0,1]=3 631 B8R0.4 CCCCCCCCO O103325 [1,1,0,0,0,0|0,0,1]=3 632 B8R0.4 CCCCCCCCO O103326 [1,1,0,0,0,0|0,0,1]=3 633 B8R0.4 CCCCCCCCO O119018 [1,1,0,0,0,0|0,0,1]=3 634 B8R0.4 CCCCCCCCO O119679 [1,1,0,0,0,0|0,0,1]=3 635 B8R0.4 CCCCCCCCO O491594 [1,1,0,0,0,0|0,0,1]=3 636 B8R0.4 CCCCCCCCS O105587 [1,1,0,0,0,0|0,0,1]=3 637 B8R0.4 CCCCCCCC[CH2-] N332405 [1,1,0,0,0,0|0,0,1]=3 638 B8R0.4 CCCCCCCC[NH3+] N290338 [1,1,0,0,0,0|0,0,1]=3 639 B8R0.4 CCCCCCCSC H157103 [1,1,0,0,0,0|0,0,1]=3 640 B8R0.4 CCCCCCN=C=O H157416 [1,1,0,0,0,0|0,0,1]=3 641 B8R0.4 CCCCCCN=C=S H140517 [1,1,0,0,0,0|0,1,1]=4 642 B8R0.4 CCCCCCOC=O H113684 [1,1,0,0,0,0|0,0,0]=2 643 B8R0.4 CCCCCCON=O H157340 [1,1,0,0,0,0|1,0,0]=3 644 B8R0.4 CCCCNCCCC D111219 [1,1,0,0,0,0|0,0,1]=3 645 B8R0.4 CCCCNCCCC D189175 [1,1,0,0,0,0|0,0,1]=3 646 B8R0.4 CCCCNCCCC D345139 [1,1,0,0,0,0|0,0,1]=3 647 B8R0.4 CCCCNCCCC D404365 [1,1,0,0,0,0|0,0,1]=3 648 B8R0.4 CCCCNCCCC D404367 [1,1,0,0,0,0|0,0,1]=3 649 B8R0.4 CCCCNCCCC D431482 [1,1,0,0,0,0|0,0,1]=3 650 B8R0.4 CCCCNCCCC D494160 [1,1,0,0,0,0|0,0,1]=3 651 B8R0.4 CCCCOCCC#N B152448 [1,1,0,0,0,0|1,0,1]=4 652 B8R0.4 CCCCOCCCC B110451 [1,1,0,0,0,0|0,0,1]=3 653 B8R0.4 CCCCOCCCC B110452 [1,1,0,0,0,0|0,0,1]=3 654 B8R0.4 CCCCOCCCC B110453 [1,1,0,0,0,0|0,0,1]=3 655 B8R0.4 CCCCOCCCC B119693 [1,1,0,0,0,0|0,0,1]=3 656 B8R0.4 CCCCOCCCC B194104 [1,1,0,0,0,0|0,0,1]=3 657 B8R0.4 CCCCOCCCN B152034 [1,1,0,0,0,0|1,0,1]=4 658 B8R0.4 CCCCSCCCC B136661 [1,1,0,0,0,0|0,0,1]=3 659 B8R0.4 CCNCCCNCC D124208 [1,1,0,0,0,0|1,0,1]=4 660 B8R0.4 COCCCCCOC D155548 [1,1,0,0,0,0|1,0,0]=3 661 B8R0.4 COCCNCCOC B152060 [1,1,0,0,0,0|2,0,0]=4 662 B8R0.4 COCCOCCCBr M158050 [1,1,0,0,0,0|2,0,0]=4 663 B8R0.4 COCCOCCOC M104413 [1,1,0,0,0,0|2,0,0]=4 664 B8R0.4 COCCOCCOC M104414 [1,1,0,0,0,0|2,0,0]=4 665 B8R0.4 COCCOCCOC M104417 [1,1,0,0,0,0|2,0,0]=4 666 B8R0.4 COCCOCCOC M104418 [1,1,0,0,0,0|2,0,0]=4 667 B8R0.4 COCCOCCOC M104420 [1,1,0,0,0,0|2,0,0]=4 668 B8R0.4 COCCOCCOC M104422 [1,1,0,0,0,0|2,0,0]=4 669 B8R0.4 COCCOCCOC M615388 [1,1,0,0,0,0|2,0,0]=4 670 B8R0.6 CCCCCC(=O)C=C O160047 [1,1,0,0,0,0|0,0,2]=4 671 B8R0.6 CCCCCC(=O)CC O106928 [1,1,0,0,0,0|0,0,2]=4 672 B8R0.6 CCCCCC(=O)CC O106929 [1,1,0,0,0,0|0,0,2]=4 673 B8R0.6 CCCCCC(=O)OC M112312 [1,1,0,0,0,0|1,0,1]=4 674 B8R0.6 CCCCCC(=O)OC M112313 [1,1,0,0,0,0|1,0,1]=4 675 B8R0.6 CCCCCC(=O)OC M112314 [1,1,0,0,0,0|1,0,1]=4 676 B8R0.6 CCCCCC(C#C)O O113758 [1,1,0,0,0,0|0,0,2]=4 677 B8R0.6 CCCCCC(C)CC M158522 [1,1,0,0,0,0|0,0,1]=3 678 B8R0.6 CCCCCC(C=C)O O102968 [1,1,0,0,0,0|0,0,1]=3 679 B8R0.6 CCCCCC(C=C)O S463982 [1,1,0,0,0,0|0,0,1]=3 680 B8R0.6 CCCCCC(CC)O O159907 [1,1,0,0,0,0|0,0,1]=3 681 B8R0.6 CCCCCN(C)N=O N347915 [1,1,0,0,0,0|2,0,0]=4 682 B8R0.6 COC(=O)CCCC=O M589623 [1,1,0,0,0,0|1,0,1]=4 683 B8R0.5 CC(COC)OC(=O)C P106790 [1,1,0,0,0,0|2,0,0]=4 684 B8R0.5 CC(COC)OC(=O)C P299435 [1,1,0,0,0,0|2,0,0]=4 685 B8R0.5 CCCC(C)CC(=C)C D155264 [1,1,0,0,0,0|1,0,0]=3 686 B8R0.5 CCCC(C)CC(C)C D155226 [1,1,0,0,0,0|1,0,1]=4 687 B8R0.5 CCCC(C)CC(C)C D414618 [1,1,0,0,0,0|1,0,1]=4 688 B8R0.5 CCOC(=O)CC(=O)C E103937 [1,1,0,0,0,0|1,0,1]=4 689 B8R0.5 CCOC(=O)CC(=O)C E103939 [1,1,0,0,0,0|1,0,1]=4 690 B8R0.5 CCOC(=O)CC(=O)C E474098 [1,1,0,0,0,0|1,0,1]=4 691 B8R0.8 C(CC(C(=O)O)N)CN L350090 [1,1,0,0,0,0|2,0,0]=4 692 B8R0.8 C(CC(C(=O)O)N)CN L413185 [1,1,0,0,0,0|2,0,0]=4 693 B8R0.8 C(CC(C(=O)O)N)CN L423300 [1,1,0,0,0,0|2,0,0]=4 694 B8R0.8 C(CC(C(=O)O)N)CN L425600 [1,1,0,0,0,0|2,0,0]=4 695 B8R0.8 C(CC(C(=O)O)N)CN L432617 [1,1,0,0,0,0|2,0,0]=4 696 B8R0.8 C(CC(C(=O)O)N)CN O101048 [1,1,0,0,0,0|2,0,0]=4 697 B8R0.8 C(CC(C(=O)O)N)CN O108803 [1,1,0,0,0,0|2,0,0]=4 698 B8R0.8 C(CC(C(=O)O)N)CN S161189 [1,1,0,0,0,0|2,0,0]=4 699 B8R0.8 C(CC(C(=O)O)N)CN S161190 [1,1,0,0,0,0|2,0,0]=4 700 B8R0.8 C(CC(C(=O)O)N)CN S589622 [1,1,0,0,0,0|2,0,0]=4 701 B8R0.8 CCCCC(=O)C(=O)C H106591 [1,1,0,0,0,0|0,0,1]=3 702 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [1,1,0,0,0,0|1,0,1]=4 703 B8R0.8 CCCCC(C(=O)O)Br B152316 [1,1,0,0,0,0|1,0,0]=3 704 B8R0.8 CCCCC(C(=O)O)N L485252 [1,1,0,0,0,0|1,0,0]=3 705 B8R0.8 CCCCC(C(=O)O)N N105991 [1,1,0,0,0,0|1,0,0]=3 706 B8R0.8 CCCCC(C(=O)O)N N109230 [1,1,0,0,0,0|1,0,0]=3 707 B8R0.8 CCCCC(C(=O)O)N S136235 [1,1,0,0,0,0|1,0,0]=3 708 B8R0.8 CCCCC(C(=O)O)O H300379 [1,1,0,0,0,0|1,0,0]=3 709 B8R0.8 CCCCC(C(=O)O)O H425022 [1,1,0,0,0,0|1,0,0]=3 710 B8R0.8 CCCCC(C)C(=O)O M158388 [1,1,0,0,0,0|1,0,0]=3 711 B8R0.8 CCCCC(C)C(=O)O M424064 [1,1,0,0,0,0|1,0,0]=3 712 B8R0.8 CCCCC(C)C(C)C D155224 [1,1,0,0,0,0|1,0,1]=4 713 B8R0.8 CSCCC(C(=O)N)N S587494 [1,1,0,0,0,0|2,0,0]=4 714 B8R0.8 CSCCC(C(=O)O)N D423548 [1,1,0,0,0,0|2,0,0]=4 715 B8R0.8 CSCCC(C(=O)O)N D424961 [1,1,0,0,0,0|2,0,0]=4 716 B8R0.8 CSCCC(C(=O)O)N L133003 [1,1,0,0,0,0|2,0,0]=4 717 B8R0.8 CSCCC(C(=O)O)N L425234 [1,1,0,0,0,0|2,0,0]=4 718 B8R0.8 CSCCC(C(=O)O)N M101130 [1,1,0,0,0,0|2,0,0]=4 719 B8R0.8 CSCCC(C(=O)O)N M101131 [1,1,0,0,0,0|2,0,0]=4 720 B8R0.8 CSCCC(C(=O)O)N M104886 [1,1,0,0,0,0|2,0,0]=4 721 B8R0.8 CSCCC(C(=O)O)N M109223 [1,1,0,0,0,0|2,0,0]=4 722 B8R0.8 CSCCC(C(=O)O)O H194065 [1,1,0,0,0,0|2,0,0]=4 723 B8R0.8 CSCCC(C(=O)[O-])O C133719 [1,1,0,0,0,0|2,0,0]=4 724 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [1,1,0,0,0,0|2,0,0]=4 725 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [1,1,0,0,0,0|2,0,0]=4 726 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [1,1,0,0,0,0|2,0,0]=4 727 B8R0.9 CC(=O)CCC(=O)OC M157990 [1,1,0,0,0,0|1,0,1]=4 728 B8R0.9 CC(=O)CCC(=O)OC N196982 [1,1,0,0,0,0|1,0,1]=4 729 B8R0.9 CC(=O)OCC(CO)O M158754 [1,1,0,0,0,0|2,0,0]=4 730 B8R0.9 CCC(=O)CCC(=O)O O165944 [1,1,0,0,0,0|1,0,1]=4 731 B8R0.9 CCC(C)CCC(=O)O M138303 [1,1,0,0,0,0|1,0,0]=3 732 B8R0.9 CCC(C)CCC(C)C D155227 [1,1,0,0,0,0|1,0,1]=4 733 B8R0.9 CCC(C)COC(=O)C M111920 [1,1,0,0,0,0|1,0,0]=3 734 B8R0.21 CCCCCS(=O)(=O)[O-] S104953 [1,1,0,0,0,0|2,0,0]=4 735 B8R0.21 CCCCCS(=O)(=O)[O-] S121251 [1,1,0,0,0,0|2,0,0]=4 736 B8R0.21 CCCCCS(=O)(=O)[O-] S124053 [1,1,0,0,0,0|2,0,0]=4 737 B8R0.21 CCCCCS(=O)(=O)[O-] S432349 [1,1,0,0,0,0|2,0,0]=4 738 B8R0.21 CCCCOS(=O)(=O)C B405445 [1,1,0,0,0,0|2,0,0]=4 739 B8R0.28 CC(=CCCC(=O)C)C M117483 [1,1,0,0,0,0|0,0,2]=4 740 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,1,0,0,0,0|1,0,1]=4 741 B8R0.28 CC(C)CCCC(=C)C D155274 [1,1,0,0,0,0|1,0,0]=3 742 B8R0.28 CC(C)CCCC(=O)C M158865 [1,1,0,0,0,0|0,0,0]=2 743 B8R0.28 CC(C)CCCC(=O)O M158389 [1,1,0,0,0,0|1,0,0]=3 744 B8R0.28 CC(C)CCCC(C)N D299499 [1,1,0,0,0,0|1,0,1]=4 745 B8R0.28 CC(C)CCCC(C)N D424637 [1,1,0,0,0,0|1,0,1]=4 746 B8R0.28 CC(C)CCCC(C)O M157902 [1,1,0,0,0,0|0,0,2]=4 747 B8R0.28 CC(C)CCOC(=O)C I112107 [1,1,0,0,0,0|1,0,0]=3 748 B8R0.28 CC(C)CCOC(=O)C I112108 [1,1,0,0,0,0|1,0,0]=3 749 B8R0.28 CC(C)CCOC(=O)C I112110 [1,1,0,0,0,0|1,0,0]=3 750 B8R0.28 CC(C)CCOC(=O)C T119705 [1,1,0,0,0,0|1,0,0]=3 751 B8R0.28 CN(C)CCCC(=O)O D589906 [1,1,0,0,0,0|2,0,0]=4 752 B8R0.28 CN(C)CCCC(=O)O W133561 [1,1,0,0,0,0|2,0,0]=4 753 B10R0.3 CC(C)CCCC(C)CCBr B137574 [0,2,0,0,0,0|1,0,1]=4 754 B10R0.3 CC(C)CCCC(C)CCO T110148 [0,2,0,0,0,0|1,0,1]=4 755 B10R0.3 CC(CCC=C(C)C)CCBr S467116 [0,2,0,0,0,0|1,0,1]=4 756 B10R0.3 CC(CCC=C(C)C)CCO C102066 [0,2,0,0,0,0|1,0,1]=4 757 B10R0.3 CC(CCC=C(C)C)CCO C102068 [0,2,0,0,0,0|1,0,1]=4 758 B10R0.3 CC(CCC=C(C)C)CCO C111343 [0,2,0,0,0,0|1,0,1]=4 759 B10R0.3 CC(CCCC(=C)C)CCO R485524 [0,2,0,0,0,0|1,0,0]=3 760 B10R0.3 CCCC(=O)CCCC(=O)O O303557 [0,2,0,0,0,0|1,0,0]=3 761 B10R0.3 CCCC(CCOC(=O)C)S M158207 [0,2,0,0,0,0|0,0,0]=2 762 B10R0.3 CCOC(=O)CCCC(=O)C E138206 [0,2,0,0,0,0|0,0,1]=3 763 B10R0.3 CCOC(=O)CCCC(=O)Cl E138942 [0,2,0,0,0,0|1,0,1]=4 764 B10R0.3 CCOC(=O)CCCC(=O)O M158393 [0,2,0,0,0,0|1,0,1]=4 765 B10R0.59 CC(CCOC(=O)CS)OC M158005 [0,2,0,0,0,0|2,0,0]=4 766 B10R0.59 COC(=O)CCCC(=O)OC D102756 [0,2,0,0,0,0|1,0,1]=4 767 B10R0.65 CC(=O)OCCC(C)(C)OC M157992 [0,2,0,0,0,0|2,0,0]=4 768 B10R0.65 CCC(C)(CCC=C(C)C)O D102057 [0,2,0,0,0,0|1,0,1]=4 769 B10R0.65 CCC(C)(CCCC(C)C)O T110098 [0,2,0,0,0,0|1,0,1]=4 770 B10R0.82 C(CC(C(=O)O)N)C(CN)O H112850 [0,2,0,0,0,0|2,0,0]=4 771 B10R0.98 CC(=O)C(CCOC(=O)C)Cl A347912 [0,2,0,0,0,0|1,0,1]=4 772 B10R0.4 C(CCC(=O)O)CCN=[N+]=[N-] A479506 [0,2,0,0,0,0|2,0,0]=4 773 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [0,2,0,0,0,0|1,0,0]=3 774 B10R0.4 C(CCCC(=O)O)CCCN A165345 [0,2,0,0,0,0|1,0,0]=3 775 B10R0.4 C(CCCC(=O)O)CCCO H473772 [0,2,0,0,0,0|1,0,0]=3 776 B10R0.4 C(COCCOCC(=O)O)N A405690 [0,2,0,0,0,0|2,0,0]=4 777 B10R0.4 C=CCCCCCCC(=O)O N404785 [0,2,0,0,0,0|1,0,0]=3 778 B10R0.4 CC(C)CCCCCCCO I298943 [0,2,0,0,0,0|1,0,1]=4 779 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,2,0,0,0,0|0,0,0]=2 780 B10R0.4 CCCCCCC=CC(=O)O N303594 [0,2,0,0,0,0|1,0,0]=3 781 B10R0.4 CCCCCCCCC(=O)C D139185 [0,2,0,0,0,0|0,0,0]=2 782 B10R0.4 CCCCCCCCC(=O)C D139186 [0,2,0,0,0,0|0,0,0]=2 783 B10R0.4 CCCCCCCCC(=O)C D464910 [0,2,0,0,0,0|0,0,0]=2 784 B10R0.4 CCCCCCCCC(=O)Cl N158955 [0,2,0,0,0,0|1,0,0]=3 785 B10R0.4 CCCCCCCCC(=O)Cl N158958 [0,2,0,0,0,0|1,0,0]=3 786 B10R0.4 CCCCCCCCC(=O)O N110892 [0,2,0,0,0,0|1,0,0]=3 787 B10R0.4 CCCCCCCCC(=O)O N110893 [0,2,0,0,0,0|1,0,0]=3 788 B10R0.4 CCCCCCCCC(=O)O N110894 [0,2,0,0,0,0|1,0,0]=3 789 B10R0.4 CCCCCCCCC(=O)O N110895 [0,2,0,0,0,0|1,0,0]=3 790 B10R0.4 CCCCCCCCC(=O)O N196934 [0,2,0,0,0,0|1,0,0]=3 791 B10R0.4 CCCCCCCCC(=O)O N420639 [0,2,0,0,0,0|1,0,0]=3 792 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [0,2,0,0,0,0|1,0,0]=3 793 B10R0.4 CCCCCCCCC(C)C M304432 [0,2,0,0,0,0|1,0,1]=4 794 B10R0.4 CCCCCCCCC(C)O D154355 [0,2,0,0,0,0|0,0,2]=4 795 B10R0.4 CCCCCCCCN(C)C D106326 [0,2,0,0,0,0|2,0,0]=4 796 B10R0.4 CCCCCCCOC(=O)C H157248 [0,2,0,0,0,0|0,0,0]=2 797 B10R0.4 CCCCCCCOC(=O)Cl H156985 [0,2,0,0,0,0|1,0,0]=3 798 B10R0.4 CCCCOCCOC(=O)C B111057 [0,2,0,0,0,0|0,0,0]=2 799 B10R0.4 CN(C)CCCNCCCN D124512 [0,2,0,0,0,0|2,0,0]=4 800 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,2,0,0,0,0|1,0,0]=3 801 B10R0.6 CC(=O)CC(=O)OCCOC M109789 [0,2,0,0,0,0|1,0,1]=4 802 B10R0.6 CCCCCC(CC(=O)O)O H275940 [0,2,0,0,0,0|1,0,0]=3 803 B10R0.6 CCCCOC(=O)CC(=O)C B152871 [0,2,0,0,0,0|0,0,1]=3 804 B10R0.22 CCCCCCCP(=O)(O)O H157407 [0,2,0,0,0,0|2,0,0]=4 805 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104933 [0,2,0,0,0,0|2,0,0]=4 806 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104934 [0,2,0,0,0,0|2,0,0]=4 807 B10R0.22 CCCCCCCS(=O)(=O)[O-] S189072 [0,2,0,0,0,0|2,0,0]=4 808 B10R0.22 CCCCCCCS(=O)(=O)[O-] S475289 [0,2,0,0,0,0|2,0,0]=4 809 B10R0.22 CCCCCCOS(=O)(=O)C H157015 [0,2,0,0,0,0|1,0,0]=3 810 B10R0.55 CC(=O)CCCCC(=O)OC M294064 [0,2,0,0,0,0|0,0,1]=3 811 B10R0.55 COC(=O)CCCCC(=O)Cl M169854 [0,2,0,0,0,0|1,0,1]=4 812 B10R0.55 COC(=O)CCCCC(=O)O M102995 [0,2,0,0,0,0|1,0,1]=4 813 B10R0.74 C#CCCCCNC(=O)CI I287459 [0,2,0,0,0,0|0,0,2]=4 814 B10R0.74 CCC=CCCOC(=O)CC H117504 [0,2,0,0,0,0|0,0,2]=4 815 B10R0.74 CCCC=CCOC(=O)CC T161809 [0,2,0,0,0,0|0,0,2]=4 816 B10R0.74 CCCCCC#CC(=O)OC M107624 [0,2,0,0,0,0|0,0,1]=3 817 B10R0.74 CCCCCC=CC(=O)OC M158154 [0,2,0,0,0,0|0,0,1]=3 818 B10R0.74 CCCCCCCC(=O)CC D154228 [0,2,0,0,0,0|0,0,0]=2 819 B10R0.74 CCCCCCCC(=O)NN N159466 [0,2,0,0,0,0|1,0,0]=3 820 B10R0.74 CCCCCCCC(=O)NO O123988 [0,2,0,0,0,0|1,0,0]=3 821 B10R0.74 CCCCCCCC(=O)N[O-] S303820 [0,2,0,0,0,0|1,0,0]=3 822 B10R0.74 CCCCCCCC(=O)OC M158053 [0,2,0,0,0,0|0,0,0]=2 823 B10R0.74 CCCCCCCC(=O)OC M158158 [0,2,0,0,0,0|0,0,0]=2 824 B10R0.74 CCCCCCCC(CC)O D154380 [0,2,0,0,0,0|0,0,2]=4 825 B10R0.74 CCCCCCOC(=O)C=C H156906 [0,2,0,0,0,0|0,0,1]=3 826 B10R0.74 CCCCCCOC(=O)CC H157249 [0,2,0,0,0,0|0,0,0]=2 827 B10R0.74 CCCCOCNC(=O)C=C N159035 [0,2,0,0,0,0|1,0,1]=4 828 B10R0.74 COC(=O)CCCCCCBr M303935 [0,2,0,0,0,0|0,0,0]=2 829 B10R0.74 COC(=O)CCCCCCN M191642 [0,2,0,0,0,0|0,0,0]=2 830 B10R0.75 C(CO)CSCC(C(=O)O)N F129236 [0,2,0,0,0,0|2,0,0]=4 831 B10R0.75 C(CO)CSCC(C(=O)O)N F421233 [0,2,0,0,0,0|2,0,0]=4 832 B10R0.75 CC(=C)C(=O)OCCCCO H344287 [0,2,0,0,0,0|2,0,0]=4 833 B10R0.75 CCCCCCC(=O)C(=O)O O300763 [0,2,0,0,0,0|0,0,1]=3 834 B10R0.75 CCCCCCC(C(=O)O)Br B152296 [0,2,0,0,0,0|1,0,0]=3 835 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,2,0,0,0,0|1,0,0]=3 836 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,2,0,0,0,0|1,0,0]=3 837 B10R0.75 CCCCCCC(C(=O)O)O X139091 [0,2,0,0,0,0|1,0,0]=3 838 B10R0.75 CCOCCOC(=O)C(=C)C E156350 [0,2,0,0,0,0|2,0,0]=4 839 B10R0.75 CCOCCOC(=O)C(C)C E156218 [0,2,0,0,0,0|2,0,0]=4 840 B10R0.78 CCCCC(C)CCC(=O)O M103013 [0,2,0,0,0,0|1,0,0]=3 841 B10R0.78 CCCOC(=O)CCC(=O)C P404929 [0,2,0,0,0,0|0,0,1]=3 842 B10R0.97 C(CCC(=O)Cl)CCC(=O)Cl P124592 [0,2,0,0,0,0|1,0,1]=4 843 B10R0.97 C(CCC(=O)O)CCC(=O)O P110547 [0,2,0,0,0,0|1,0,1]=4 844 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,2,0,0,0,0|0,0,1]=3 845 B10R0.97 CC(C)CCNCCC(C)C D154175 [0,2,0,0,0,0|1,0,1]=4 846 B10R0.97 CC(C)CCOCCC(C)C I100402 [0,2,0,0,0,0|1,0,1]=4 847 B10R0.18 CCCCC(=O)CC(=O)OC M158508 [0,2,0,0,0,0|0,0,1]=3 848 B10R0.96 CC(C)COC(=O)CC(=O)C I107308 [0,2,0,0,0,0|1,0,1]=4 849 B10R0.1 CCCCCCC(=O)CCC D154230 [0,2,0,0,0,0|0,0,0]=2 850 B10R0.1 CCCCCCC(=O)OCC E100047 [0,2,0,0,0,0|0,0,0]=2 851 B10R0.1 CCCCCCC(=O)OCC E305454 [0,2,0,0,0,0|0,0,0]=2 852 B10R0.1 CCCCCCC(CCC)O D154356 [0,2,0,0,0,0|0,0,2]=4 853 B10R0.1 CCCCCOC(=O)CCC A111359 [0,2,0,0,0,0|1,0,0]=3 854 B10R0.1 CCOC(=O)CCCCC=C E341720 [0,2,0,0,0,0|0,0,2]=4 855 B10R0.1 CCOC(=O)CCCCC=O E588544 [0,2,0,0,0,0|1,0,1]=4 856 B10R0.1 CCOC(=O)CCCCCBr E156144 [0,2,0,0,0,0|1,0,0]=3 857 B10R0.1 CCOC(=O)CCCCCN E193000 [0,2,0,0,0,0|1,0,0]=3 858 B10R0.1 CCOC(=O)CCCCCO E156101 [0,2,0,0,0,0|1,0,0]=3 859 B10R0.1 CCOCCCC(=O)OCC E341712 [0,2,0,0,0,0|1,0,0]=3 860 B10R0.1 CCOCCOC(=O)CC#N E136237 [0,2,0,0,0,0|2,0,0]=4 861 B10R0.41 CCCCCCC(OC)OC D165350 [0,2,0,0,0,0|0,0,2]=4 862 B10R0.83 CCCCCC(C(=O)NC)N P303210 [0,2,0,0,0,0|0,0,0]=2 863 B10R0.83 COC(=O)C(CCCCN)N D404620 [0,2,0,0,0,0|1,0,0]=3 864 B10R0.83 COC(=O)C(CCCCN)N L100451 [0,2,0,0,0,0|1,0,0]=3 865 B10R0.83 COC(=O)C(CCCCN)N S134411 [0,2,0,0,0,0|1,0,0]=3 866 B8R1.2 C#CC1CCCCC1 C334521 [1,0,0,1,0,0|0,0,2]=4 867 B8R1.2 C1CC(CC=C1)C=O C154037 [1,0,0,1,0,0|0,0,2]=4 868 B8R1.2 C1CC(CC=C1)CO C131788 [1,0,0,1,0,0|1,0,1]=4 869 B8R1.2 C1CC(CNC1)CN A151610 [1,0,0,1,0,0|2,0,0]=4 870 B8R1.2 C1CC(CNC1)CO P160105 [1,0,0,1,0,0|2,0,0]=4 871 B8R1.2 C1CC(CNC1)CO S586410 [1,0,0,1,0,0|2,0,0]=4 872 B8R1.2 C1CC(CNC1)CO S587257 [1,0,0,1,0,0|2,0,0]=4 873 B8R1.2 C1CC(COC1)CO O174328 [1,0,0,1,0,0|2,0,0]=4 874 B8R1.2 C1CCC(=CC1)C=O C468613 [1,0,0,1,0,0|0,0,2]=4 875 B8R1.2 C1CCC(CC1)C#N C194969 [1,0,0,1,0,0|1,0,1]=4 876 B8R1.2 C1CCC(CC1)C=O C109681 [1,0,0,1,0,0|0,0,0]=2 877 B8R1.2 C1CCC(CC1)CBr B121199 [1,0,0,1,0,0|1,0,1]=4 878 B8R1.2 C1CCC(CC1)CN C138894 [1,0,0,1,0,0|1,0,1]=4 879 B8R1.2 C1CCC(CC1)CN C303051 [1,0,0,1,0,0|1,0,1]=4 880 B8R1.2 C1CCC(CC1)CN C493236 [1,0,0,1,0,0|1,0,1]=4 881 B8R1.2 C1CCC(CC1)CO C106975 [1,0,0,1,0,0|0,0,2]=4 882 B8R1.2 C1CCC(CC1)NN C135804 [1,0,0,1,0,0|2,0,0]=4 883 B8R1.2 C1CCC(CC1)NO I169027 [1,0,0,1,0,0|1,0,1]=4 884 B8R1.2 C1CCN(CC1)C=O F106773 [1,0,0,1,0,0|1,0,0]=3 885 B8R1.2 C1CN(CCN1)C=O F109560 [1,0,0,1,0,0|2,0,0]=4 886 B8R1.2 C1CN(CCN1)C=O F140420 [1,0,0,1,0,0|2,0,0]=4 887 B8R1.2 C1CN(CCN1)C=O F165274 [1,0,0,1,0,0|2,0,0]=4 888 B8R1.2 C1CN(CCN1)C=O F639111 [1,0,0,1,0,0|2,0,0]=4 889 B8R1.2 C1COCCC1C=O F184847 [1,0,0,1,0,0|1,0,0]=3 890 B8R1.2 C1COCCN1C=O F111002 [1,0,0,1,0,0|2,0,0]=4 891 B8R1.2 C=CC1CCCCC1 V162939 [1,0,0,1,0,0|0,0,1]=3 892 B8R1.2 CCC1CCCCC1 E108913 [1,0,0,1,0,0|0,0,1]=3 893 B8R1.2 CCC1CCCCC1 E108914 [1,0,0,1,0,0|0,0,1]=3 894 B8R1.2 CCC1CCCCN1 E156420 [1,0,0,1,0,0|1,0,1]=4 895 B8R1.2 CCC1CCCCN1 S467334 [1,0,0,1,0,0|1,0,1]=4 896 B8R1.2 CCC1CCNCC1 E169556 [1,0,0,1,0,0|1,0,1]=4 897 B8R1.2 CCC1COCCN1 R186382 [1,0,0,1,0,0|2,0,0]=4 898 B8R1.2 CCN1CCCCC1 E110307 [1,0,0,1,0,0|1,0,1]=4 899 B8R1.2 CNC1CCCCC1 M124516 [1,0,0,1,0,0|1,0,0]=3 900 B8R1.2 CNC1CCCNC1 M124375 [1,0,0,1,0,0|2,0,0]=4 901 B8R1.2 COC1CCCCC1 M158042 [1,0,0,1,0,0|1,0,0]=3 902 B8R1.2 COC1CCCCO1 W196195 [1,0,0,1,0,0|2,0,0]=4 903 B8R1.2 COC1CCNCC1 M176409 [1,0,0,1,0,0|2,0,0]=4 904 B8R1.2 COC1CCNCC1 M176410 [1,0,0,1,0,0|2,0,0]=4 905 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [1,0,0,1,0,0|1,0,1]=4 906 B8R1.5 C1CC(C(=O)NC1)Br B588801 [1,0,0,1,0,0|2,0,0]=4 907 B8R1.5 C1CC(C(=O)NC1)N A121540 [1,0,0,1,0,0|2,0,0]=4 908 B8R1.5 C1CC(C(=O)NC1)N A121541 [1,0,0,1,0,0|2,0,0]=4 909 B8R1.5 C1CC(C(=O)NC1)N A181382 [1,0,0,1,0,0|2,0,0]=4 910 B8R1.5 C1CC(C(=O)NC1)N I170302 [1,0,0,1,0,0|2,0,0]=4 911 B8R1.5 C1CC(C(=O)NC1)O H191839 [1,0,0,1,0,0|2,0,0]=4 912 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [1,0,0,1,0,0|1,0,1]=4 913 B8R1.5 C1CCC(=O)C(C1)Br B131549 [1,0,0,1,0,0|1,0,0]=3 914 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [1,0,0,1,0,0|1,0,0]=3 915 B8R1.5 C1CCC(=O)C(C1)O H133366 [1,0,0,1,0,0|1,0,0]=3 916 B8R1.5 C1COCC(C1=O)F F176973 [1,0,0,1,0,0|2,0,0]=4 917 B8R1.5 CC1=NCCCN1C D184491 [1,0,0,1,0,0|2,0,0]=4 918 B8R1.5 CC1C(=O)NCCN1 M168916 [1,0,0,1,0,0|2,0,0]=4 919 B8R1.5 CC1C(=O)NCCN1 R195856 [1,0,0,1,0,0|2,0,0]=4 920 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|0,0,0]=2 921 B8R1.5 CC1CCCCC1C D155823 [1,0,0,1,0,0|0,0,1]=3 922 B8R1.5 CC1CCCCC1N M102224 [1,0,0,1,0,0|1,0,1]=4 923 B8R1.5 CC1CCCCC1O C153331 [1,0,0,1,0,0|0,0,2]=4 924 B8R1.5 CC1CCCCC1O M157932 [1,0,0,1,0,0|0,0,2]=4 925 B8R1.5 CC1CNCCC1=O M589544 [1,0,0,1,0,0|1,0,0]=3 926 B8R1.5 CC1CNCCN1C R176969 [1,0,0,1,0,0|2,0,0]=4 927 B8R1.5 CN1CCCCC1=O N335945 [1,0,0,1,0,0|1,0,0]=3 928 B8R1.5 CN1CCCNC1=O M493197 [1,0,0,1,0,0|2,0,0]=4 929 B8R1.8 C1CCC(C1)CCO C154115 [1,0,0,1,0,0|0,0,2]=4 930 B8R1.8 C1CCC(C1)N=C=O C153263 [1,0,0,1,0,0|1,0,1]=4 931 B8R1.8 C=CCC1CCCC1 A332839 [1,0,0,1,0,0|0,0,1]=3 932 B8R1.8 CCNC1CCNC1 R160848 [1,0,0,1,0,0|2,0,0]=4 933 B8R1.8 COCC1CCCN1 M121135 [1,0,0,1,0,0|2,0,0]=4 934 B8R1.8 COCC1CCCN1 M121139 [1,0,0,1,0,0|2,0,0]=4 935 B8R1.11 C1CC(C(=O)C1)C#N C183485 [1,0,0,1,0,0|1,0,1]=4 936 B8R1.11 CCN1CCCC1=O E101635 [1,0,0,1,0,0|1,0,0]=3 937 B8R1.11 CN1CCCC1CO M303525 [1,0,0,1,0,0|2,0,0]=4 938 B8R1.11 CN1CCCC1CO S303491 [1,0,0,1,0,0|2,0,0]=4 939 B8R1.22 C1CC(=O)CCNC1 H121983 [1,0,0,1,0,0|1,0,0]=3 940 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|0,0,2]=4 941 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,1,0,0|1,0,0]=3 942 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,1,0,0|1,0,0]=3 943 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|1,0,0]=3 944 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|1,0,0]=3 945 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|1,0,0]=3 946 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|1,0,0]=3 947 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|1,0,0]=3 948 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|1,0,0]=3 949 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|1,0,0]=3 950 B8R1.22 C1CCC(=S)NCC1 T140461 [1,0,0,1,0,0|1,1,0]=4 951 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|0,0,0]=2 952 B8R1.22 C1CCCC(CC1)Br B152451 [1,0,0,1,0,0|1,0,1]=4 953 B8R1.22 C1CCCC(CC1)Cl C153659 [1,0,0,1,0,0|1,0,1]=4 954 B8R1.22 C1CCCC(CC1)N C153902 [1,0,0,1,0,0|1,0,1]=4 955 B8R1.22 C1CCCC(CC1)O C105241 [1,0,0,1,0,0|0,0,2]=4 956 B8R1.22 C1COCCNC1=O O189427 [1,0,0,1,0,0|2,0,0]=4 957 B8R1.22 CN1CCCNCC1 M138837 [1,0,0,1,0,0|2,0,0]=4 958 B8R1.36 CCCCCC1CO1 E156381 [1,0,0,1,0,0|1,0,0]=3 959 B8R1.36 CCCNCC1CC1 N300667 [1,0,0,1,0,0|1,0,1]=4 960 B8R1.49 C1CCCC=CCC1 C100852 [1,0,0,1,0,0|0,0,1]=3 961 B8R1.49 C1CCCC=CCC1 C118535 [1,0,0,1,0,0|0,0,1]=3 962 B8R1.49 C1CCCC=CCC1 C129192 [1,0,0,1,0,0|0,0,1]=3 963 B8R1.49 C1CCCC=CCC1 C189232 [1,0,0,1,0,0|0,0,1]=3 964 B8R1.49 C1CCCC=CCC1 C294026 [1,0,0,1,0,0|0,0,1]=3 965 B8R1.49 C1CCCCCCC1 C153590 [1,0,0,1,0,0|0,0,1]=3 966 B8R1.49 C1CCCNCCC1 H157012 [1,0,0,1,0,0|1,0,0]=3 967 B8R1.1 C1CC(=O)NC1CBr B102457 [1,0,0,1,0,0|2,0,0]=4 968 B8R1.1 C1CC(=O)NC1CBr B102458 [1,0,0,1,0,0|2,0,0]=4 969 B8R1.1 C1CC(=O)NC1CO H103185 [1,0,0,1,0,0|2,0,0]=4 970 B8R1.1 C1CC(=O)NC1CO H103186 [1,0,0,1,0,0|2,0,0]=4 971 B8R1.1 CCC1CCC(=O)O1 C111339 [1,0,0,1,0,0|1,0,0]=3 972 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [1,0,0,1,0,0|1,0,1]=4 973 B8R1.4 C1CNC(=O)CC1N A174477 [1,0,0,1,0,0|2,0,0]=4 974 B8R1.4 C1CNC(=O)CC1O H193522 [1,0,0,1,0,0|2,0,0]=4 975 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,1,0,0|0,0,2]=4 976 B8R1.4 CC1=CC(CCC1)O M168575 [1,0,0,1,0,0|2,0,0]=4 977 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,1,0,0|1,0,0]=3 978 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|0,0,0]=2 979 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|0,0,0]=2 980 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|1,0,0]=3 981 B8R1.4 CC1CCCC(C1)C C153348 [1,0,0,1,0,0|1,0,1]=4 982 B8R1.4 CC1CCCC(C1)C D155810 [1,0,0,1,0,0|1,0,1]=4 983 B8R1.4 CC1CCCC(C1)N M139174 [1,0,0,1,0,0|1,0,1]=4 984 B8R1.4 CC1CCCC(C1)O M106721 [1,0,0,1,0,0|0,0,2]=4 985 B8R1.4 CC1CCCC(N1)C C153870 [1,0,0,1,0,0|1,0,1]=4 986 B8R1.4 CC1CCCC(N1)C D184826 [1,0,0,1,0,0|1,0,1]=4 987 B8R1.4 CC1COCC(=O)N1 S586561 [1,0,0,1,0,0|2,0,0]=4 988 B8R1.7 C1CC(NC1)C(=O)N P105976 [1,0,0,1,0,0|2,0,0]=4 989 B8R1.7 C1CC(NC1)C(=O)N P121653 [1,0,0,1,0,0|2,0,0]=4 990 B8R1.7 C1CC(NC1)C(=O)N S136613 [1,0,0,1,0,0|2,0,0]=4 991 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,1,0,0|2,0,0]=4 992 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,1,0,0|2,0,0]=4 993 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,1,0,0|2,0,0]=4 994 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,1,0,0|2,0,0]=4 995 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,1,0,0|2,0,0]=4 996 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,1,0,0|2,0,0]=4 997 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,1,0,0|2,0,0]=4 998 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,1,0,0|2,0,0]=4 999 B8R1.7 C1CC(OC1)C(=O)N S469270 [1,0,0,1,0,0|2,0,0]=4 1000 B8R1.7 C1CC(OC1)C(=O)O R160850 [1,0,0,1,0,0|2,0,0]=4 1001 B8R1.7 C1CC(OC1)C(=O)O S161338 [1,0,0,1,0,0|2,0,0]=4 1002 B8R1.7 C1CC(OC1)C(=O)O T161757 [1,0,0,1,0,0|2,0,0]=4 1003 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [1,0,0,1,0,0|1,0,0]=3 1004 B8R1.7 C1CCC(C1)C(=O)N C357646 [1,0,0,1,0,0|1,0,0]=3 1005 B8R1.7 C1CCC(C1)C(=O)O C104489 [1,0,0,1,0,0|1,0,0]=3 1006 B8R1.7 C1CNCC1C(=O)O P176886 [1,0,0,1,0,0|2,0,0]=4 1007 B8R1.7 C1CNCC1C(=O)O P196048 [1,0,0,1,0,0|2,0,0]=4 1008 B8R1.7 C1CNCC1C(=O)O S134732 [1,0,0,1,0,0|2,0,0]=4 1009 B8R1.7 C1CNCC1C(=O)O S137345 [1,0,0,1,0,0|2,0,0]=4 1010 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,1,0,0|2,0,0]=4 1011 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,1,0,0|2,0,0]=4 1012 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,1,0,0|0,0,0]=2 1013 B8R1.7 CC(=O)N1CCCC1 A151303 [1,0,0,1,0,0|1,0,0]=3 1014 B8R1.7 CC(C1CCCC1)O C349965 [1,0,0,1,0,0|0,0,2]=4 1015 B8R1.72 CC1(CCCCC1)O M102063 [1,0,0,1,0,0|0,0,2]=4 1016 B8R1.72 C[N+]1(CCCCC1)C M114650 [1,0,0,1,0,0|2,0,0]=4 1017 B8R1.72 C[N+]1(CCCCC1)C M118597 [1,0,0,1,0,0|2,0,0]=4 1018 B10R1.13 C1CC(=O)CCC1C(=O)O O177831 [0,1,0,1,0,0|1,0,1]=4 1019 B10R1.13 C1CC(CCC1C(=O)O)N A124585 [0,1,0,1,0,0|1,0,0]=3 1020 B10R1.13 C1CC(CCC1C(=O)O)N C153750 [0,1,0,1,0,0|1,0,0]=3 1021 B10R1.13 C1CC(CCC1C(=O)O)N I135100 [0,1,0,1,0,0|1,0,0]=3 1022 B10R1.13 C1CC(CCC1C(=O)O)O C154122 [0,1,0,1,0,0|1,0,0]=3 1023 B10R1.13 C1CC(CCC1C(=O)O)O H132286 [0,1,0,1,0,0|1,0,0]=3 1024 B10R1.13 C1CC(CCC1C(=O)O)O T161443 [0,1,0,1,0,0|1,0,0]=3 1025 B10R1.13 C1CC(NCC1O)C(=O)O S176988 [0,1,0,1,0,0|2,0,0]=4 1026 B10R1.13 CC(=O)N1CCC(=O)CC1 A117232 [0,1,0,1,0,0|1,0,1]=4 1027 B10R1.13 CC(=O)N1CCC(CC1)N A168578 [0,1,0,1,0,0|1,0,0]=3 1028 B10R1.13 CC(=O)N1CCC(CC1)N A482506 [0,1,0,1,0,0|1,0,0]=3 1029 B10R1.13 CC(=O)N1CCC(CC1)O E176408 [0,1,0,1,0,0|1,0,0]=3 1030 B10R1.13 CC(=O)N1CCN(CC1)C A287893 [0,1,0,1,0,0|2,0,0]=4 1031 B10R1.13 CC(C)C1CCC(CC1)N I157724 [0,1,0,1,0,0|1,0,1]=4 1032 B10R1.13 CC(C)C1CCC(CC1)O I157466 [0,1,0,1,0,0|1,0,1]=4 1033 B10R1.13 CC(C)C1CCC(CC1)O T162736 [0,1,0,1,0,0|1,0,1]=4 1034 B10R1.13 CC1CCC(CC1)C(=O)O M158294 [0,1,0,1,0,0|1,0,0]=3 1035 B10R1.13 CC1CCC(CC1)C(=O)O T472827 [0,1,0,1,0,0|1,0,0]=3 1036 B10R1.54 C1C(CNC1CC(=O)O)O L344985 [0,1,0,1,0,0|2,0,0]=4 1037 B10R1.54 CC(C)CC1CC(=O)NC1 I589652 [0,1,0,1,0,0|1,0,0]=3 1038 B10R1.54 CC(C)CC1CC(=O)NC1 S587757 [0,1,0,1,0,0|1,0,0]=3 1039 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,1,0,1,0,0|1,0,0]=3 1040 B10R1.10 CCCC1CCOC(S1)C M103004 [0,1,0,1,0,0|0,1,1]=4 1041 B10R1.10 CCOC1=CC(=O)CCC1 E156472 [0,1,0,1,0,0|0,0,2]=4 1042 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,1,0,1,0,0|1,0,0]=3 1043 B10R1.18 C1CC(CNC1)CC(=O)O P177340 [0,1,0,1,0,0|1,0,0]=3 1044 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,1,0,1,0,0|1,0,0]=3 1045 B10R1.18 C1CCC(CC1)NC(=O)N C153499 [0,1,0,1,0,0|1,0,0]=3 1046 B10R1.18 C1CCC(CC1)NC(=S)N C153741 [0,1,0,1,0,0|1,1,0]=4 1047 B10R1.18 C1CCN(CC1)CC(=O)O D303438 [0,1,0,1,0,0|1,0,0]=3 1048 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,1,0,1,0,0|1,0,0]=3 1049 B10R1.18 C1COCCN1CC(=O)O M137089 [0,1,0,1,0,0|2,0,0]=4 1050 B10R1.18 C1COCCN1CC(=O)O M192727 [0,1,0,1,0,0|2,0,0]=4 1051 B10R1.18 CC(=O)CC1CCCCC1 C478562 [0,1,0,1,0,0|0,0,0]=2 1052 B10R1.18 CC(=O)NC1CCCNC1 A151172 [0,1,0,1,0,0|1,0,0]=3 1053 B10R1.18 CC(=O)NC1CCNCC1 A139032 [0,1,0,1,0,0|1,0,0]=3 1054 B10R1.18 CC(=O)OC1CCCCC1 C153425 [0,1,0,1,0,0|0,0,0]=2 1055 B10R1.18 CC(C)CC1CCCCC1 I157550 [0,1,0,1,0,0|1,0,1]=4 1056 B10R1.18 CC(C)NC1CCCCC1 N159075 [0,1,0,1,0,0|1,0,1]=4 1057 B10R1.39 CCN1CCCC1C(=O)N R404393 [0,1,0,1,0,0|1,0,0]=3 1058 B10R1.39 CCN1CCCC1C(=O)N S161270 [0,1,0,1,0,0|1,0,0]=3 1059 B10R1.61 C1CCC(C(C1)C(=O)O)N C349166 [0,1,0,1,0,0|1,0,0]=3 1060 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,1,0,1,0,0|1,0,0]=3 1061 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,1,0,1,0,0|0,0,1]=3 1062 B10R1.61 CC1C(CCCN1)C(=O)O M190173 [0,1,0,1,0,0|1,0,0]=3 1063 B10R1.61 CC1CCCCC1C(=O)O M492419 [0,1,0,1,0,0|1,0,0]=3 1064 B10R1.61 CN(C)C1CCCCC1N R192714 [0,1,0,1,0,0|2,0,0]=4 1065 B10R1.61 CN(C)C1CCCCC1N S195654 [0,1,0,1,0,0|2,0,0]=4 1066 B10R1.64 C1CC(C(=O)C1)CC(=O)O O167346 [0,1,0,1,0,0|1,0,1]=4 1067 B10R1.66 C1CCC(C1)CCC(=O)Cl C102472 [0,1,0,1,0,0|1,0,0]=3 1068 B10R1.66 C1CCC(C1)CCC(=O)O W132385 [0,1,0,1,0,0|1,0,0]=3 1069 B10R1.66 CC(=O)OCC1CCCO1 T161761 [0,1,0,1,0,0|1,0,0]=3 1070 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,1,0,1,0,0|0,0,0]=2 1071 B10R1.348 C1CCCC(CC1)C(=O)Cl C589802 [0,1,0,1,0,0|1,0,0]=3 1072 B10R1.348 C1CCCC(CC1)C(=O)O C121819 [0,1,0,1,0,0|1,0,0]=3 1073 B10R1.348 C1CCCN(CC1)C(=S)N A479368 [0,1,0,1,0,0|1,1,0]=4 1074 B10R1.28 C1CCC(CC1)S(=O)(=O)Cl C170559 [0,1,0,1,0,0|2,0,0]=4 1075 B10R1.28 CC(C)(C)C1CCCCC1 I135611 [0,1,0,1,0,0|1,0,1]=4 1076 B10R1.28 C[Si](C)(C1CCCCC1)Cl C349345 [0,1,0,1,0,0|1,1,0]=4 1077 B10R1.28 C[Si](C1CCCCC1)(Cl)Cl D154187 [0,1,0,1,0,0|1,1,0]=4 1078 B10R1.1 CCCC1CCC(=O)CC1 P115524 [0,1,0,1,0,0|0,0,0]=2 1079 B10R1.1 CCCC1CCC(CC1)O P160707 [0,1,0,1,0,0|0,0,2]=4 1080 B10R1.1 CCCN1CCC(=O)CC1 P103612 [0,1,0,1,0,0|1,0,0]=3 1081 B10R1.7 C1CCCC(C(CC1)O)O C346997 [0,1,0,1,0,0|0,0,2]=4 1082 B10R1.15 C1CCC(CC1)C(=O)NN C346597 [0,1,0,1,0,0|1,0,0]=3 1083 B10R1.15 C1CCC(CC1)C(CO)N S590298 [0,1,0,1,0,0|1,0,1]=4 1084 B10R1.15 C1CCN(CC1)C(=O)CBr B168013 [0,1,0,1,0,0|1,0,0]=3 1085 B10R1.15 C1COCCN1C(=O)CCl C167304 [0,1,0,1,0,0|2,0,0]=4 1086 B10R1.15 C1COCCN1C(=O)CN A168934 [0,1,0,1,0,0|2,0,0]=4 1087 B10R1.15 CCC(=O)N1CCNCC1 P332097 [0,1,0,1,0,0|2,0,0]=4 1088 B10R1.15 CCC(=O)N1CCOCC1 M469055 [0,1,0,1,0,0|2,0,0]=4 1089 B10R1.15 CCC(C1CCCCC1)N S489475 [0,1,0,1,0,0|1,0,1]=4 1090 B10R1.15 CNC(=O)C1CCNCC1 N587869 [0,1,0,1,0,0|1,0,0]=3 1091 B10R1.15 COC(=O)C1=CCCCC1 M168102 [0,1,0,1,0,0|0,0,2]=4 1092 B10R1.15 COC(=O)C1CCC=CC1 C121950 [0,1,0,1,0,0|0,0,2]=4 1093 B10R1.15 COC(=O)C1CCCCC1 M138876 [0,1,0,1,0,0|0,0,0]=2 1094 B10R1.15 COC(=O)C1CCCCN1 H191752 [0,1,0,1,0,0|1,0,0]=3 1095 B10R1.15 COC(=O)C1CCCCN1 M169575 [0,1,0,1,0,0|1,0,0]=3 1096 B10R1.15 COC(=O)C1CCCCN1 M191753 [0,1,0,1,0,0|1,0,0]=3 1097 B10R1.15 COC(=O)C1CCCCN1 M193348 [0,1,0,1,0,0|1,0,0]=3 1098 B10R1.15 COC(=O)C1CCCCO1 M590294 [0,1,0,1,0,0|1,0,0]=3 1099 B10R1.15 COC(=O)C1CCCNC1 M172997 [0,1,0,1,0,0|1,0,0]=3 1100 B10R1.15 COC(=O)C1CCCNC1 M193627 [0,1,0,1,0,0|1,0,0]=3 1101 B10R1.15 COC(=O)C1CCNCC1 I135762 [0,1,0,1,0,0|1,0,0]=3 1102 B10R1.15 COC(=O)C1CCOCC1 M120066 [0,1,0,1,0,0|1,0,0]=3 1103 B10R1.15 COC(=O)C1CNCCO1 M195938 [0,1,0,1,0,0|2,0,0]=4 1104 B10R1.15 COC(=O)C1CNCCO1 R587049 [0,1,0,1,0,0|2,0,0]=4 1105 B10R1.15 COC(=O)C1COCCN1 M586858 [0,1,0,1,0,0|2,0,0]=4 1106 B10R1.15 COC(=O)C1COCCN1 S587266 [0,1,0,1,0,0|2,0,0]=4 1107 B10R1.15 COC(=O)N1CCCCC1 M347739 [0,1,0,1,0,0|1,0,0]=3 1108 B10R1.149 COC(=O)C1CCCC1=O M137965 [0,1,0,1,0,0|1,0,1]=4 1109 B10R1.161 C1CCCC(=NO)CCC1 C349183 [0,1,0,1,0,0|0,0,1]=3 1110 B10R1.23 C1CCC(C1)C(C(=O)O)N L133201 [0,1,0,1,0,0|1,0,0]=3 1111 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,1,0,1,0,0|1,0,1]=4 1112 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,1,0,1,0,0|1,0,0]=3 1113 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,1,0,1,0,0|1,0,0]=3 1114 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,1,0,1,0,0|1,0,0]=3 1115 B10R1.113 CC1CCCC(C1)C(=O)O M299842 [0,1,0,1,0,0|1,0,0]=3 1116 B10R1.113 CC1CCCC(C1)C(=O)O M472837 [0,1,0,1,0,0|1,0,0]=3 1117 B10R1.113 CC1CCCN(C1)C(=O)C A474323 [0,1,0,1,0,0|1,0,0]=3 1118 B10R1.113 CC1CCNC(C1)C(=O)O R194886 [0,1,0,1,0,0|2,0,0]=4 1119 B10R1.176 CN1CCC(CC1=O)CN A174747 [0,1,0,1,0,0|2,0,0]=4 1120 B10R1.363 C1CCC(CC1)(C(=O)O)N A101237 [0,1,0,1,0,0|1,0,0]=3 1121 B10R1.363 CC1(CCCCC1)C(=O)Cl M169298 [0,1,0,1,0,0|1,0,0]=3 1122 B10R1.363 CC1(CCCCC1)C(=O)O M157925 [0,1,0,1,0,0|1,0,0]=3 1123 B10R1.140 CCOC(=O)C1CC(=O)C1 E139366 [0,1,0,1,0,0|1,0,1]=4 1124 B10R1.211 C1CC1C(=O)CCC(=O)O C170865 [0,1,0,1,0,0|1,0,1]=4 1125 B10R1.128 CC1(CCCC1C(=O)O)N C348320 [0,1,0,1,0,0|1,0,0]=3 1126 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S413066 [0,1,0,1,0,0|2,0,0]=4 1127 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S424110 [0,1,0,1,0,0|2,0,0]=4 1128 B10R2.62 C1CC2CCC1C(=O)N2 A176151 [0,0,0,2,0,0|1,0,0]=3 1129 B10R2.62 C1CN2CCC1C(=O)C2 Q109701 [0,0,0,2,0,0|1,0,0]=3 1130 B10R2.71 C1CC2CC(=O)CC1N2 N119961 [0,0,0,2,0,0|1,0,0]=3 1131 B10R2.408 [B]1C2CCCC1CCC2 B130058 [0,0,0,2,0,0|1,0,1]=4 1132 B10R2.534 C1CC(=O)NC2(C1)CC2 A589439 [0,0,0,2,0,0|1,0,0]=3 1133 B10R2.351 C1C2C(C2C(=O)O)CO1 O194616 [0,0,0,2,0,0|2,0,0]=4 1134 B10R2.2 C1CC2CN(CC2C1)N A124225 [0,0,0,2,0,0|2,0,0]=4 1135 B10R2.18 C1CCCC2C(O2)CC1 E156395 [0,0,0,2,0,0|0,0,2]=4