0 B8R0.4 BrCCCCCCCBr 235871 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C#CCCCCCCCl 099431 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.4 C=CCCCCCCBr 043893 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.4 C=CCCCCCCI 505959 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.4 C=CCCCCCNC 104411 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.4 CCCCCC#CCBr 009063 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.4 CCCCCCCC#N 098851 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 CCCCCCCC=O 349298 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.4 CCCCCCCCBr 021865 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.4 CCCCCCCCCl 520471 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.4 CCCCCCCCI 104506 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.4 CCCCCCCCN 099074 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.4 CCCCCCCCO 098917 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.4 CCCCCCCCS 099014 [0,0,0,0,0,0|1,1,1]=3 14 B8R0.4 CCCCCCCNC 104338 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.4 CCCCCCN=C=S 008979 [0,0,0,0,0,0|1,1,1]=3 16 B8R0.4 CCCCCCOC=O 102668 [0,0,0,0,0,0|0,0,0]=0 17 B8R0.4 CCCCCCSC#N 023925 [0,0,0,0,0,0|1,1,1]=3 18 B8R0.4 CCCCCNCCC 104994 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.4 CCCCC\C=C\C=O 103998 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.4 CCCCNCCC#N 018332 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.4 CCCCNCCCC 095822 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.4 CCCCNCCCN 104976 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.4 CCCCOCCCN 386779 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.4 CCCCSCCCC 098351 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.4 CCOCCCN=C=O 043787 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.4 CCOCCCN=C=S 025959 [0,0,0,0,0,0|2,1,1]=4 27 B8R0.4 CCOCCNCCN 105133 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.4 CNCCCCCCO 062955 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.4 NCCCCCCCN 321947 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 BrCCCCCCBr BR1156 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 C#CCCCCCC 162800 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.1 C#CCCCCCO 077361 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 C=CCCCCC=C 099644 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.1 C=CCCCCCBr 043892 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.1 C=CCCCCCC 200048 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.1 C=CCCCCCI 103485 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.1 C=CCCCCNC 036092 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.1 CC#CCCCCC 162802 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 CCCCCCC#N 001020 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.1 CCCCCCC=O 520883 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.1 CCCCCCCBr BR1073 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.1 CCCCCCCC 162200 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.1 CCCCCCCCl 106679 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.1 CCCCCCCF 003481 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.1 CCCCCCCI 243077 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.1 CCCCCCCN 099080 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.1 CCCCCCCO 101569 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.1 CCCCCCNC 402340 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.1 CCCCCN=C=S 009557 [1,0,0,0,0,0|1,1,1]=4 50 B7R0.1 CCCCNCC#N 099121 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.1 CCCCNCCC 099392 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.1 CCCCNCCN 456370 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.1 CCCCNCCO 115900 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.1 CCCCOCCO 349293 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.1 CCCC\C=C\C=O 240980 [1,0,0,0,0,0|0,0,2]=3 56 B7R0.1 CCCNCCC#N 018983 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.1 CCCNCCCN 240393 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.1 CCOCCOCC 098939 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.1 COCCCN=C=O 044446 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.1 COCCOCCBr 241934 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.1 COCCOCCO 208688 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.1 ClCCCCCCBr 093960 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.1 ClCCCCCCCl 242573 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.1 ClCCCCCCI 098037 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.1 ICCCCCCI 349296 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.1 N#CCCCCCBr 001033 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.1 NCCCCCCN 098831 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.1 NCCCCCCO 208673 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.1 O=COCCOC=O 069885 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.1 OCCCCCCCl 001744 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.1 OCCCCCCO 242635 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.1 SCCCCCCS 102616 [1,0,0,0,0,0|1,1,1]=4 73 B9R0.2 CC(=O)OCCCCCBr 464202 [0,1,0,0,0,0|1,0,0]=2 74 B9R0.2 CCCCCCCC(=O)Cl 099180 [0,1,0,0,0,0|1,0,0]=2 75 B9R0.2 CCCCCCCC(=O)O 094565 [0,1,0,0,0,0|1,0,0]=2 76 B9R0.2 CCCCCCCC(C)=O 349299 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.2 CCCCCCCC(C)O 321952 [0,1,0,0,0,0|1,0,2]=4 78 B9R0.2 CCCCCCOC(C)=O 102343 [0,1,0,0,0,0|0,0,0]=1 79 B9R0.2 CC\C=C/CCOC(C)=O 102346 [0,1,0,0,0,0|0,0,2]=3 80 B9R0.2 NCCCCCCC(=O)O 078953 [0,1,0,0,0,0|2,0,0]=3 81 B9R0.2 O=C(O)CCCCCCBr 236587 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.5 CCCCCC(=O)OCC 103045 [0,1,0,0,0,0|1,0,2]=4 83 B9R0.5 CCCCCC(C)N=C=S 008976 [0,1,0,0,0,0|1,1,1]=4 84 B9R0.18 CCCCC(O)CCCC 180155 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.45 BrCCCCCCCCBr 212569 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.45 C#CCCCCCCCC 124500 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.45 C#CCCCCCCCO 243040 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.45 C=CCCCCCCC=C 464584 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.45 C=CCCCCCCCBr 080314 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.45 C=CCCCCCCCC 200050 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.45 C=CCCCCCCNC 104201 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.45 CCCCCCCCC=O 018925 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.45 CCCCCCCCCBr 001132 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.45 CCCCCCCCCC 520891 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.45 CCCCCCCCCI 149300 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.45 CCCCCCCCCN 018926 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.45 CCCCCCCCCO 101572 [0,1,0,0,0,0|1,0,2]=4 98 B9R0.45 CCCCCCCCNC 046353 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.45 CCCCCCCN=C=O 050930 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.45 CCCCCCCN=C=S 008975 [0,1,0,0,0,0|1,1,1]=4 101 B9R0.45 CCCCCCNCCN 457429 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.45 CCCCCC\C=C\C=O 106390 [0,1,0,0,0,0|1,0,0]=2 103 B9R0.45 CCCCCNCCC#N 018937 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.45 CCCCCNCCCC 105047 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.45 CCCCCNCCCN 104978 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.45 CCCC\C=C\C=C\C=O 106729 [0,1,0,0,0,0|1,0,2]=4 107 B9R0.45 CC\C=C/CCCCC=O 106733 [0,1,0,0,0,0|1,0,1]=3 108 B9R0.45 ClCCCCCCCCCl 099031 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.45 ICCCCCCCCI 104507 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.45 NCCCCCCCCN 462631 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.45 OCCCCCCCCBr 037015 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.45 OCCCCCCCCO 078005 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.46 CCCCCCC(=O)NN 045793 [0,1,0,0,0,0|3,0,0]=4 114 B9R0.46 CCCCCCC(O)CO 339957 [0,1,0,0,0,0|1,0,2]=4 115 B9R1.5 NC1CCCCNC1=O 011374 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.5 N[C@@H]1CCCCNC1=O 034333 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.5 N[C@H]1CCCCNC1=O 011373 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.8 BrCCC1CCCCC1 220157 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.8 C#CCC1CCCCC1 009112 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.8 CCNC1CCCCC1 078851 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.8 CNCC1CCCCC1 359898 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.8 ICCC1CCCCC1 101668 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.8 O=C=NC1CCCCC1 123400 [0,0,0,1,0,0|1,0,1]=3 124 B9R1.8 O=CCC1CCOCC1 208751 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.8 O=CNC1CCCCC1 099604 [0,0,0,1,0,0|1,0,0]=2 126 B9R1.8 OCCC1CCCCC1 225442 [0,0,0,1,0,0|1,0,2]=4 127 B9R1.8 OCCC1CCOCC1 067744 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.8 S=C=NC1CCCCC1 008784 [0,0,0,1,0,0|1,1,1]=4 129 B9R1.12 CCOCC1CCCO1 047544 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.14 O=CN1CCC[C@H]1CO 103549 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.15 N#CC1CCCCC1=O 023580 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.33 NCCN1CCCC1=O 037271 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.33 NCCN1CCNC1=O 023487 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.33 O=C1CCCN1CCO 068970 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.33 O=C1NCCN1CCO 103758 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.33 O=C1OCCN1CCO 068996 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.50 NC1CCCCCCC1 450396 [0,0,0,1,0,0|2,0,1]=4 138 B9R1.50 O=C1CCCCCCC1 237170 [0,0,0,1,0,0|1,0,0]=2 139 B9R1.89 O=CN1CCCNCC1 307336 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.103 C1CCCCNCCC1 230409 [0,0,0,1,0,0|2,0,1]=4 141 B6R0.6 BrCCCCCBr 001044 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.6 C#CCCCCC 144400 [2,0,0,0,0,0|0,0,2]=4 143 B6R0.6 C#CCCCCO 145808 [2,0,0,0,0,0|0,0,2]=4 144 B6R0.6 C=CCCCCBr 002415 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.6 C=CCCCCBr 013446 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.6 C=CCCCCCl 024635 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.6 C=CCCCCI 103321 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.6 C=CCCCCO 078461 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.6 C=COCCCC 106580 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.6 CCC#CCCO 145806 [2,0,0,0,0,0|0,0,2]=4 151 B6R0.6 CCCC#CCO 145805 [2,0,0,0,0,0|0,0,2]=4 152 B6R0.6 CCCCCC#N 002444 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.6 CCCCCC=O 094968 [2,0,0,0,0,0|0,0,0]=2 154 B6R0.6 CCCCCCBr 098897 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.6 CCCCCCC 044743 [2,0,0,0,0,0|0,0,1]=3 156 B6R0.6 CCCCCCC 099896 [2,0,0,0,0,0|0,0,1]=3 157 B6R0.6 CCCCCCC 107019 [2,0,0,0,0,0|0,0,1]=3 158 B6R0.6 CCCCCCC 995188 [2,0,0,0,0,0|0,0,1]=3 159 B6R0.6 CCCCCCN 094631 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.6 CCCCCCO 349294 [2,0,0,0,0,0|0,0,0]=2 161 B6R0.6 CCCCCCS 145400 [2,0,0,0,0,0|0,1,0]=3 162 B6R0.6 CCCCCNC 056875 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.6 CCCCN=C=O 102722 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.6 CCCCNC=O 103559 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.6 CCCCNCC 097790 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.6 CCCNCCC 102049 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.6 CCCNCCN 050965 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.6 CCCNCCO 069279 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.6 CCCOCCN 038577 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.6 CCC\C=C\C=O 098868 [2,0,0,0,0,0|0,0,2]=4 171 B6R0.6 CCNCCCN 544204 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.6 CCNCCCO 387141 [2,0,0,0,0,0|1,0,0]=3 173 B6R0.6 CCOCCCN 097753 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.6 CC\C=C/CCO 240925 [2,0,0,0,0,0|0,0,2]=4 175 B6R0.6 CNCCCCO 239842 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.6 CNCCCOC 309894 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.6 COCCCCBr 079657 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.6 COCCCCO 236682 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.6 CSCCCCO 035889 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.6 C\C=C\CCCO 433438 [2,0,0,0,0,0|0,0,2]=4 181 B6R0.6 ClCCCCCBr 002448 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.6 ClCCCCCCl 101915 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.6 ClCCCCCI 098274 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.6 FCCCCCBr 218989 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.6 ICCCCCI 239847 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.6 NCCCCCN 208616 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.6 NCCCCCO 463575 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.6 NCCNCCO 245937 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.6 NCCOCCO 336044 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.6 O=CCCCCCl 238851 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.6 OCCCCCBr 079429 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.6 OCCCCCCl 008844 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.6 OCCCCCO 240419 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.6 OCCNCCO 099502 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.6 OCCNCCO 103514 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.6 OCCNCCO 234996 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.6 OCCOCCCl 241221 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.6 OCCOCCO 044689 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.6 OCCSCCO 095104 [2,0,0,0,0,0|2,0,0]=4 200 B8R0.6 C=CC(O)CCCCC 162500 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.6 CCCCCC(=O)OC 103044 [1,1,0,0,0,0|0,0,2]=4 202 B8R0.7 C#CCCCCC(=O)O 208727 [1,1,0,0,0,0|0,0,2]=4 203 B8R0.7 C=CCCCCC(=O)O 200743 [1,1,0,0,0,0|0,0,2]=4 204 B8R0.7 C=CCCCOC(C)=O 098929 [1,1,0,0,0,0|0,0,2]=4 205 B8R0.7 CC(=O)OCCCCBr 002417 [1,1,0,0,0,0|1,0,0]=3 206 B8R0.7 CCCCCCB(O)O 466928 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.7 CCCCCCC(=O)Cl 102978 [1,1,0,0,0,0|0,0,0]=2 208 B8R0.7 CCCCCCC(=O)O 066627 [1,1,0,0,0,0|0,0,0]=2 209 B8R0.7 CCCCCCC(C)=O 242815 [1,1,0,0,0,0|0,0,0]=2 210 B8R0.7 CCCCCCC(C)N 242674 [1,1,0,0,0,0|1,0,1]=4 211 B8R0.7 CCCCCCN(C)C 046920 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.7 CCCCCOC(=O)Cl 544334 [1,1,0,0,0,0|0,0,0]=2 213 B8R0.7 CCCCSCC(=O)O 351418 [1,1,0,0,0,0|1,0,0]=3 214 B8R0.7 CCCC\C=C\C(C)=O 104079 [1,1,0,0,0,0|0,0,2]=4 215 B8R0.7 COCCOCC(=O)O 329057 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.7 COCCSCC(=O)O 351521 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.7 NC(=O)CCCCCBr 002966 [1,1,0,0,0,0|1,0,0]=3 218 B8R0.7 NCCCCCC(=O)O 103200 [1,1,0,0,0,0|1,0,0]=3 219 B8R0.7 O=C(Cl)CCCCCBr 003076 [1,1,0,0,0,0|1,0,0]=3 220 B8R0.7 O=C(O)CCCCCBr 002967 [1,1,0,0,0,0|1,0,0]=3 221 B10R0.4 CCCCCCCCC(=O)Cl 099081 [0,2,0,0,0,0|1,0,0]=3 222 B10R0.4 CCCCCCCCC(=O)O 161400 [0,2,0,0,0,0|1,0,0]=3 223 B10R0.4 CCCCCCCCC(N)=O 099214 [0,2,0,0,0,0|1,0,0]=3 224 B10R0.4 CCCCCCCNC(C)=O 104336 [0,2,0,0,0,0|1,0,0]=3 225 B10R0.4 CCCCCCCOC(=O)Cl 024777 [0,2,0,0,0,0|0,0,0]=2 226 B10R0.4 NC(=O)CCCCCCCBr 104466 [0,2,0,0,0,0|1,0,0]=3 227 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [0,2,0,0,0,0|1,0,0]=3 228 B10R0.4 O=C(O)CCCCCCCBr BR1099 [0,2,0,0,0,0|1,0,0]=3 229 B10R0.22 CCCCCCCS(=O)(=O)[O-] 008041 [0,2,0,0,0,0|2,0,0]=4 230 B10R0.74 CCCCCC#CC(=O)OC 240942 [0,2,0,0,0,0|1,0,1]=4 231 B10R0.74 CCCCCCCC(=O)OC 242814 [0,2,0,0,0,0|1,0,0]=3 232 B10R0.74 CC\C=C/CCOC(=O)CC 241119 [0,2,0,0,0,0|0,0,2]=4 233 B10R0.74 CC\C=C/CCOC(=O)OC 106717 [0,2,0,0,0,0|0,0,2]=4 234 B10R0.74 COC(=O)CCCCCCBr 077282 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.75 CCCCCCC(N)C(=O)O 223120 [0,2,0,0,0,0|1,0,0]=3 236 B10R0.78 CCCCC(C)CCC(=O)O 002774 [0,2,0,0,0,0|1,0,0]=3 237 B10R0.1 CCCCCCC(C)N=C=O 021015 [0,2,0,0,0,0|1,0,1]=4 238 B10R0.91 C=CCOC(=O)CCCCC 240754 [0,2,0,0,0,0|1,0,1]=4 239 B10R0.71 C=CCCCCCCCCBr 003439 [0,2,0,0,0,0|2,0,0]=4 240 B10R0.71 C=CCCCCCCCCI 105744 [0,2,0,0,0,0|2,0,0]=4 241 B10R0.71 C=CCCCCCCCCO 102610 [0,2,0,0,0,0|2,0,0]=4 242 B10R0.71 CCCCCCCCCC=O 223253 [0,2,0,0,0,0|1,0,0]=3 243 B10R0.71 CCCCCCCCN=C=O 104259 [0,2,0,0,0,0|1,0,1]=4 244 B10R0.71 CCCCCCCCOC=O 102669 [0,2,0,0,0,0|0,0,0]=2 245 B10R0.71 CCCCCCC\C=C\C=O 319883 [0,2,0,0,0,0|1,0,0]=3 246 B10R0.71 CCCCC\C=C\C=C\C=O 240376 [0,2,0,0,0,0|1,0,1]=4 247 B10R0.71 CCCCOCCOCCO 448626 [0,2,0,0,0,0|0,0,2]=4 248 B10R0.71 CCOCCNCCOCC 099253 [0,2,0,0,0,0|1,0,1]=4 249 B8R1.2 BrCC1CCCCC1 044195 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.2 C#CC1CCCCC1 237953 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.2 CC=C1CCCCC1 105541 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.2 CCC1CCCCN1 238822 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.2 CNC1CCCCC1 221640 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.2 COC1CCNCC1 029227 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.2 COC1CCNCC1 046103 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.2 N#CC1CCCCC1 243054 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.2 NCC1CCCCC1 065546 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.2 NNC1CCCCC1 044302 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.2 NOC1CCCCO1 076716 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.2 O=CC1=CCCCC1 235736 [1,0,0,1,0,0|0,0,2]=4 261 B8R1.2 O=CC1CCCCC1 050618 [1,0,0,1,0,0|0,0,0]=2 262 B8R1.2 O=CC1CCOCC1 065305 [1,0,0,1,0,0|1,0,0]=3 263 B8R1.2 O=CN1CCCCC1 208647 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.2 O=CN1CCNCC1 223849 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.2 O=CN1CCOCC1 078917 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.2 OCC1CCCCC1 024256 [1,0,0,1,0,0|0,0,2]=4 267 B8R1.2 [C-]#[N+]C1CCCCC1 021021 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.5 CC1CCCCC1=O 463405 [1,0,0,1,0,0|0,0,0]=2 269 B8R1.5 CC1CCCCC1N 222026 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.5 CC1CCCCC1O 037382 [1,0,0,1,0,0|0,0,2]=4 271 B8R1.5 CN1CCCCC1=O 240152 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.5 NC1CCCNC1=O 075567 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.5 O=C1CCCCC1=O 123100 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.5 O=C1CCCCC1Cl 235014 [1,0,0,1,0,0|1,0,0]=3 275 B8R1.8 C#CCC1CCCC1 099434 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.8 NCCC1CCCC1 041854 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.8 O=C=NC1CCCC1 047100 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.8 O=CNC1CCCC1 103565 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.8 OCCC1CCCC1 123900 [1,0,0,1,0,0|0,0,2]=4 280 B8R1.22 BrC1CCCCCC1 238778 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.22 NC1CCCCCC1 046759 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.22 O=C1C=CCCCC1 208633 [1,0,0,1,0,0|0,0,2]=4 283 B8R1.22 O=C1CCCCCC1 098940 [1,0,0,1,0,0|0,0,0]=2 284 B8R1.22 O=C1CCCCCN1 102927 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.22 O=C1CCCCCO1 094875 [1,0,0,1,0,0|0,0,0]=2 286 B8R1.22 O=C1CCNCCN1 011670 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.22 OC1CCCCCC1 235579 [1,0,0,1,0,0|0,0,2]=4 288 B8R1.22 S=C1CCCCCN1 099229 [1,0,0,1,0,0|1,1,0]=4 289 B10R1.18 CC(=O)CC1CCCCC1 403679 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.18 CC(=O)NC1CCNCC1 033847 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.18 NC(=O)NC1CCNCC1 035186 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.18 NC(=S)NC1CCCCC1 018480 [0,1,0,1,0,0|1,1,0]=4 293 B10R1.18 O=C(O)CC1CCCCC1 208902 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.18 O=C(O)CC1CCCNC1 078407 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.18 O=C(O)CC1CCOCC1 011896 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.18 O=C(O)CN1CCCCC1 029071 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.61 CC(=O)C1CCCCC1=O 068997 [0,1,0,1,0,0|1,0,1]=4 298 B10R1.61 CN1CCCCC1C(=O)O 024854 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 103725 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.66 NC(=O)CCC1CCCC1 403705 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.66 NC(=O)CCN1CCCC1 043219 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.66 O=C(Cl)CCC1CCCC1 520593 [0,1,0,1,0,0|1,0,0]=3 303 B10R1.66 O=C(O)CCC1CCCC1 208901 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.66 O=C(O)CCN1CCCC1 035191 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.66 O=C(O)CSC1CCCC1 349419 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.78 O=C1CCCCCCCN1 098992 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.348 CC(=O)N1CCCNCC1 219284 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.348 O=C(O)C1CCCCCC1 066487 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.21 CCCCCC1=CC=CO1 241560 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.29 NCCCN1CCCC1=O 013416 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.85 O=C=NC1CCCCCC1 511955 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.17 O=C=NCC1CCOCC1 067803 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.1 C[C@H]1CC[C@H](N=C=O)CC1 036558 [0,1,0,1,0,0|1,0,1]=4 314 B10R2.62 O=C1CC2CCC1CC2 362052 [0,0,0,2,0,0|1,0,0]=3 315 B10R2.62 O=C1CN2CCC1CC2 069044 [0,0,0,2,0,0|2,0,0]=4 316 B10R2.320 O=C1NC2CCCCC12 325670 [0,0,0,2,0,0|1,0,0]=3