0 B7R0.1 BrCCCCCCBr BR1156 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 C#CCCCCCC 162800 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.1 C#CCCCCCO 077361 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.1 C=CCCCCC=C 099644 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 C=CCCCCCBr 043892 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 C=CCCCCCC 200048 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.1 C=CCCCCCI 103485 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.1 C=CCCCCNC 036092 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 CC#CCCCCC 162802 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.1 CCCC#CCCO 144510 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.1 CCCCC#CCO 144505 [0,0,0,0,0,0|0,0,2]=2 11 B7R0.1 CCCCCCC#N 001020 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.1 CCCCCCC=O 520883 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.1 CCCCCCCBr BR1073 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.1 CCCCCCCC 162200 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.1 CCCCCCCCl 106679 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.1 CCCCCCCF 003481 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.1 CCCCCCCI 243077 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.1 CCCCCCCN 099080 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.1 CCCCCCCO 101569 [0,0,0,0,0,0|0,0,0]=0 20 B7R0.1 CCCCCCNC 402340 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.1 CCCCCN=C=S 009557 [0,0,0,0,0,0|1,1,1]=3 22 B7R0.1 CCCCNCC#N 099121 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.1 CCCCNCCC 099392 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.1 CCCCNCCN 456370 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.1 CCCCNCCO 115900 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.1 CCCCOCCO 349293 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.1 CCCC\C=C\C=O 240980 [0,0,0,0,0,0|0,0,4]=4 28 B7R0.1 CCCNCCC#N 018983 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.1 CCCNCCCN 240393 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.1 CCOCCOCC 098939 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.1 COCCCN=C=O 044446 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.1 COCCCN=C=S 009515 [0,0,0,0,0,0|2,1,1]=4 33 B7R0.1 COCCOCCBr 241934 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.1 COCCOCCO 208688 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.1 ClCCCCCCBr 093960 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.1 ClCCCCCCCl 242573 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.1 ClCCCCCCI 098037 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.1 ICCCCCCI 349296 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.1 N#CCCCCC#N 242922 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.1 N#CCCCCCBr 001033 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.1 NCCCCCCN 098831 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.1 NCCCCCCO 208673 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.1 NCCCNCCO 048142 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.1 NCCCNCCO 106472 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.1 NCCSSCCN 078973 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.1 OCCCCCCCl 001744 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.1 OCCCCCCO 242635 [0,0,0,0,0,0|1,0,0]=1 48 B7R0.1 OCCSSCCO 099254 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.1 SCCCCCCS 102616 [0,0,0,0,0,0|1,1,0]=2 50 B6R0.6 BrCCCCCBr 001044 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 BrCCOCCBr 005451 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.6 C#CCCCCC 144400 [1,0,0,0,0,0|0,0,2]=3 53 B6R0.6 C#CCCCCCl 009091 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.6 C#CCCCCO 145808 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.6 C=CCCCCBr 002415 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 C=CCCCCBr 013446 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.6 C=CCCCCCl 024635 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 C=CCCCCI 103321 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.6 C=CCCCCO 078461 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.6 C=CCOCCO 099544 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.6 C=COCCCC 106580 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 CCC#CCCO 145806 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.6 CCCC#CCO 145805 [1,0,0,0,0,0|0,0,2]=3 64 B6R0.6 CCCCCC#N 002444 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.6 CCCCCC=O 094968 [1,0,0,0,0,0|0,0,2]=3 66 B6R0.6 CCCCCCBr 098897 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.6 CCCCCCC 044743 [1,0,0,0,0,0|0,0,0]=1 68 B6R0.6 CCCCCCC 099896 [1,0,0,0,0,0|0,0,0]=1 69 B6R0.6 CCCCCCC 107019 [1,0,0,0,0,0|0,0,0]=1 70 B6R0.6 CCCCCCC 995188 [1,0,0,0,0,0|0,0,0]=1 71 B6R0.6 CCCCCCN 094631 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.6 CCCCCCO 349294 [1,0,0,0,0,0|0,0,0]=1 73 B6R0.6 CCCCCCS 145400 [1,0,0,0,0,0|0,1,0]=2 74 B6R0.6 CCCCCNC 056875 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.6 CCCCN=C=O 102722 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.6 CCCCN=C=S 008752 [1,0,0,0,0,0|1,1,1]=4 77 B6R0.6 CCCCNC=O 103559 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.6 CCCCNCC 097790 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.6 CCCNCCC 102049 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.6 CCCNCCN 050965 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.6 CCCNCCO 069279 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.6 CCCOCCN 038577 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.6 CCNCCC#N 013570 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 CCNCCCN 544204 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.6 CCNCCCO 387141 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.6 CCNCCNC 024572 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.6 CCOCCC#N 208601 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.6 CCOCCCN 097753 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.6 CCOCOCC 094651 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.6 CC\C=C/CCO 240925 [1,0,0,0,0,0|0,0,2]=3 91 B6R0.6 CNCCCCO 239842 [1,0,0,0,0,0|1,0,0]=2 92 B6R0.6 CNCCCNC 236622 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.6 CNCCCOC 309894 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.6 COCCCCBr 079657 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.6 COCCCCO 236682 [1,0,0,0,0,0|1,0,0]=2 96 B6R0.6 CSCCCCO 035889 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.6 C\C=C\CCCO 433438 [1,0,0,0,0,0|0,0,2]=3 98 B6R0.6 ClCCCCCBr 002448 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.6 ClCCCCCCl 101915 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.6 ClCCCCCI 098274 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.6 ClCCNCCCl 078560 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.6 ClCCOCCCl 002891 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.6 FCCCCCBr 218989 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.6 ICCCCCI 239847 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.6 ICCOCCI 241645 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.6 N#CCCCCBr 001007 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.6 N#CCCCCCl 024253 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 NCCCCCN 208616 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.6 NCCCCCO 463575 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.6 NCCNCCN 098826 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.6 NCCNCCO 245937 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.6 NCCOCCO 336044 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.6 O=CCCCCCl 238851 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.6 OCCCCCBr 079429 [1,0,0,0,0,0|1,0,0]=2 115 B6R0.6 OCCCCCCl 008844 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.6 OCCCCCO 240419 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.6 OCCNCCO 099502 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.6 OCCNCCO 103514 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.6 OCCNCCO 234996 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.6 OCCOCCCl 241221 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.6 OCCOCCO 044689 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 OCCSCCO 095104 [1,0,0,0,0,0|2,0,0]=3 123 B8R0.1 CCCCC(=O)OCC 241120 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.1 CCOC(=O)CCCBr 139400 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.1 CCOC(=O)CCCI 227460 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.1 CCOC(=O)CCCN 033082 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.4 BrCCCCCCCBr 235871 [0,1,0,0,0,0|1,0,0]=2 128 B8R0.4 C#CCCCCCCCl 099431 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.4 C=CCCCCCCBr 043893 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.4 C=CCCCCCCI 505959 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.4 C=CCCCCCNC 104411 [0,1,0,0,0,0|1,0,1]=3 132 B8R0.4 C=CCCC\C=C\CO 161900 [0,1,0,0,0,0|0,0,3]=4 133 B8R0.4 CCCCC#CCCO 162900 [0,1,0,0,0,0|0,0,1]=2 134 B8R0.4 CCCCCC#CCBr 009063 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.4 CCCCCCCC#N 098851 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.4 CCCCCCCC=O 349298 [0,1,0,0,0,0|0,0,1]=2 137 B8R0.4 CCCCCCCCBr 021865 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.4 CCCCCCCCCl 520471 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.4 CCCCCCCCI 104506 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.4 CCCCCCCCN 099074 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.4 CCCCCCCCO 098917 [0,1,0,0,0,0|0,0,0]=1 142 B8R0.4 CCCCCCCCS 099014 [0,1,0,0,0,0|0,1,0]=2 143 B8R0.4 CCCCCCCNC 104338 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.4 CCCCCCN=C=S 008979 [0,1,0,0,0,0|0,1,1]=3 145 B8R0.4 CCCCCCOC=O 102668 [0,1,0,0,0,0|0,0,2]=3 146 B8R0.4 CCCCCCSC#N 023925 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.4 CCCCCNCCC 104994 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.4 CCCCC\C=C\C=O 103998 [0,1,0,0,0,0|0,0,3]=4 149 B8R0.4 CCCCNCCC#N 018332 [0,1,0,0,0,0|1,0,1]=3 150 B8R0.4 CCCCNCCCC 095822 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.4 CCCCNCCCN 104976 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.4 CCCCOCCCN 386779 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.4 CCCCSCCCC 098351 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.4 CCCC\C=C/CCO 106319 [0,1,0,0,0,0|0,0,1]=2 155 B8R0.4 CCOCCCN=C=O 043787 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.4 CCOCCCN=C=S 025959 [0,1,0,0,0,0|1,1,1]=4 157 B8R0.4 CCOCCNCCN 105133 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.4 CNCCCCCCO 062955 [0,1,0,0,0,0|0,0,0]=1 159 B8R0.4 COCCNCCOC 099116 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.4 COCCOCCOC 075235 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.4 N#CCCCCCC#N 222552 [0,1,0,0,0,0|1,0,2]=4 162 B8R0.4 NCCCCCCCN 321947 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.4 NCCCNCCCN 358058 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.6 C=CC(O)CCCCC 162500 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.6 C=CCOCC(O)CO 099795 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.6 CCCCCC(=O)NN 045795 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.6 CCCCCC(=O)OC 103044 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.6 COC(=O)CCCCBr 210250 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.6 COC(=O)CCCCI 103067 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.6 OCCCCC(O)CO 099054 [0,1,0,0,0,0|1,0,0]=2 171 B8R0.7 C#CCCCCC(=O)O 208727 [0,1,0,0,0,0|0,0,3]=4 172 B8R0.7 C=CCCCCC(=O)O 200743 [0,1,0,0,0,0|0,0,3]=4 173 B8R0.7 CC(=O)OCCCCBr 002417 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.7 CCCCCCB(O)O 466928 [0,1,0,0,0,0|1,0,0]=2 175 B8R0.7 CCCCCCC(=O)Cl 102978 [0,1,0,0,0,0|0,0,2]=3 176 B8R0.7 CCCCCCC(=O)O 066627 [0,1,0,0,0,0|0,0,1]=2 177 B8R0.7 CCCCCCC(C)=O 242815 [0,1,0,0,0,0|0,0,2]=3 178 B8R0.7 CCCCCCC(C)N 242674 [0,1,0,0,0,0|1,0,0]=2 179 B8R0.7 CCCCCCN(C)C 046920 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.7 CCCCCOC(=O)Cl 544334 [0,1,0,0,0,0|1,0,2]=4 181 B8R0.7 CCCCSCC(=O)O 351418 [0,1,0,0,0,0|1,0,1]=3 182 B8R0.7 CCCC\C=C\B(O)O 329673 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.7 CN(C)CCOCCO 437714 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.7 COCCOCC(=O)O 329057 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.7 COCCSCC(=O)O 351521 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.7 NC(=O)CCCCCBr 002966 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.7 NCCCCCC(=O)O 103200 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.7 O=C(Cl)CCCCCBr 003076 [0,1,0,0,0,0|1,0,2]=4 189 B8R0.7 O=C(O)CCCCCBr 002967 [0,1,0,0,0,0|1,0,1]=3 190 B8R1.2 BrCC1CCCCC1 044195 [0,0,0,1,0,0|1,0,0]=2 191 B8R1.2 BrCC1CCCCO1 067845 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.2 BrCC1CCOCC1 037029 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.2 C#CC1CCCCC1 237953 [0,0,0,1,0,0|1,0,1]=3 194 B8R1.2 CC=C1CCCCC1 105541 [0,0,0,1,0,0|1,0,2]=4 195 B8R1.2 CCC1CCCCN1 238822 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.2 CCC1SCCCS1 104813 [0,0,0,1,0,0|1,1,0]=3 197 B8R1.2 CCN1CCCCC1 180030 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.2 CCN1CCNCC1 235581 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.2 CCN1CCOCC1 242953 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.2 CNC1CCCCC1 221640 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.2 CNC1CCOCC1 016046 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.2 COC1=NCCCC1 008049 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.2 COC1CCNCC1 029227 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.2 COC1CCNCC1 046103 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.2 N#CC1CCCCC1 243054 [0,0,0,1,0,0|1,0,1]=3 206 B8R1.2 N#CC1CCCNC1 061532 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.2 N#CC1CCNCC1 024547 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.2 N#CC1CCOCC1 044654 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.2 N#CN1CCCCC1 099025 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.2 NCC1CCCCC1 065546 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.2 NCC1CCCCN1 208655 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.2 NCC1CCCNC1 092253 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.2 NCC1CCNCC1 011323 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.2 NCC1CCOCC1 033055 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.2 NNC1CCCCC1 044302 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.2 NOC1CCCCO1 076716 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.2 O=CC1CCCCC1 050618 [0,0,0,1,0,0|0,0,2]=3 218 B8R1.2 O=CC1CCOCC1 065305 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.2 O=CN1CCCCC1 208647 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.2 OCC1CC=CCC1 067775 [0,0,0,1,0,0|0,0,2]=3 221 B8R1.2 OCC1CCC=CO1 M02893 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.2 OCC1CCCCC1 024256 [0,0,0,1,0,0|0,0,0]=1 223 B8R1.2 OCC1CCCCN1 078983 [0,0,0,1,0,0|1,0,0]=2 224 B8R1.2 OCC1CCCCO1 067745 [0,0,0,1,0,0|1,0,0]=2 225 B8R1.2 OCC1CCCNC1 036329 [0,0,0,1,0,0|1,0,0]=2 226 B8R1.2 OCC1CCNCC1 067749 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.2 OCC1CCOCC1 047969 [0,0,0,1,0,0|1,0,0]=2 228 B8R1.2 OCC1COCCO1 225877 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.2 OC[C@@H]1CCCCN1 230468 [0,0,0,1,0,0|1,0,0]=2 230 B8R1.2 OC[C@H]1CCCCN1 230469 [0,0,0,1,0,0|1,0,0]=2 231 B8R1.2 ON=C1CCCCC1 371936 [0,0,0,1,0,0|1,0,1]=3 232 B8R1.2 ON=C1CCOCC1 080077 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.2 [C-]#[N+]C1CCCCC1 021021 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.5 Br[C@@H]1CCCC[C@H]1Br 103333 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.5 CC1CCCCC1=O 463405 [0,0,0,1,0,0|0,0,2]=3 236 B8R1.5 CC1CCCCC1N 222026 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.5 CC1CCCCC1O 037382 [0,0,0,1,0,0|0,0,0]=1 238 B8R1.5 CN1CCCCC1=O 240152 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.5 NC1CCCCC1N 208654 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.5 NC1CCCCC1O 103700 [0,0,0,1,0,0|1,0,0]=2 241 B8R1.5 N[C@@H]1CCCC[C@H]1N 012705 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.5 N[C@@H]1CCCC[C@H]1O 093763 [0,0,0,1,0,0|1,0,0]=2 243 B8R1.5 N[C@@H]1CCCC[C@H]1O 095334 [0,0,0,1,0,0|1,0,0]=2 244 B8R1.5 N[C@@H]1CCCC[C@H]1O 237909 [0,0,0,1,0,0|1,0,0]=2 245 B8R1.5 N[C@H]1CCCC[C@@H]1N 012706 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.5 N[C@H]1CCCC[C@@H]1N 012707 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.5 N[C@H]1CCCC[C@@H]1O 078037 [0,0,0,1,0,0|1,0,0]=2 248 B8R1.5 N[C@H]1CCCC[C@H]1N 012716 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.5 N[C@H]1CCCC[C@H]1O 077826 [0,0,0,1,0,0|1,0,0]=2 250 B8R1.5 O=C1CCCCC1Cl 235014 [0,0,0,1,0,0|1,0,2]=4 251 B8R1.5 OC1CCCCC1O 008843 [0,0,0,1,0,0|1,0,0]=2 252 B8R1.5 O[C@H]1CCCC[C@H]1O 219174 [0,0,0,1,0,0|1,0,0]=2 253 B8R1.8 BrCCC1OCCO1 049739 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.8 C#CCC1CCCC1 099434 [0,0,0,1,0,0|1,0,1]=3 255 B8R1.8 CCOC1=NCCC1 037326 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.8 ClCCN1CCCC1 042886 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.8 NCCC1CCCC1 041854 [0,0,0,1,0,0|1,0,0]=2 258 B8R1.8 NCCN1CCCC1 023294 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.8 O=C=NC1CCCC1 047100 [0,0,0,1,0,0|1,0,2]=4 260 B8R1.8 O=CNC1CCCC1 103565 [0,0,0,1,0,0|1,0,2]=4 261 B8R1.8 OCCC1CCCC1 123900 [0,0,0,1,0,0|0,0,0]=1 262 B8R1.8 OCCN1CCCC1 219113 [0,0,0,1,0,0|1,0,0]=2 263 B8R1.8 S=C=NC1CCCC1 002537 [0,0,0,1,0,0|1,1,1]=4 264 B8R1.11 CN1CCCC1CN 043819 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.11 CN1CCC[C@@H]1CO 078678 [0,0,0,1,0,0|1,0,0]=2 266 B8R1.11 CN1CCC[C@H]1CO 208659 [0,0,0,1,0,0|1,0,0]=2 267 B8R1.22 BrC1CCCCCC1 238778 [0,0,0,1,0,0|1,0,0]=2 268 B8R1.22 CN1CCCNCC1 068998 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.22 NC1CCCCCC1 046759 [0,0,0,1,0,0|1,0,0]=2 270 B8R1.22 NC1CCCCNC1 011372 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.22 O=C1CCCCCC1 098940 [0,0,0,1,0,0|0,0,2]=3 272 B8R1.22 O=C1CCCCCN1 102927 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.22 O=C1CCCCCO1 094875 [0,0,0,1,0,0|1,0,1]=3 274 B8R1.22 OC1CCCCCC1 235579 [0,0,0,1,0,0|0,0,0]=1 275 B8R1.22 S=C1CCCCCN1 099229 [0,0,0,1,0,0|1,1,1]=4 276 B8R1.36 C=CCOCC1CO1 101600 [0,0,0,1,0,0|1,0,2]=4 277 B8R1.36 CCCNCC1CC1 069280 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.36 CNCCNC1CC1 024578 [0,0,0,1,0,0|3,0,0]=4 279 B8R1.36 N#CCCNC1CC1 018484 [0,0,0,1,0,0|2,0,1]=4 280 B8R1.36 NCCNCC1CC1 104906 [0,0,0,1,0,0|2,0,0]=3 281 B5R0.2 BrCCCCBr 004638 [2,0,0,0,0,0|2,0,0]=4 282 B5R0.2 C#CCCCC 098932 [2,0,0,0,0,0|0,0,2]=4 283 B5R0.2 C#CCCCO 164406 [2,0,0,0,0,0|0,0,2]=4 284 B5R0.2 C=CCCCC 098845 [2,0,0,0,0,0|0,0,2]=4 285 B5R0.2 C=CCCCO 164000 [2,0,0,0,0,0|0,0,2]=4 286 B5R0.2 CC#CCCC 145600 [2,0,0,0,0,0|0,0,2]=4 287 B5R0.2 CC#CCCO 010354 [2,0,0,0,0,0|0,0,2]=4 288 B5R0.2 CCC#CCO 164400 [2,0,0,0,0,0|0,0,2]=4 289 B5R0.2 CCCCC#N 386692 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.2 CCCCC=O 094967 [2,0,0,0,0,0|0,0,2]=4 291 B5R0.2 CCCCC=O 106333 [2,0,0,0,0,0|0,0,2]=4 292 B5R0.2 CCCCCBr 098930 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.2 CCCCCC 094916 [2,0,0,0,0,0|0,0,0]=2 294 B5R0.2 CCCCCC 099897 [2,0,0,0,0,0|0,0,0]=2 295 B5R0.2 CCCCCC 102229 [2,0,0,0,0,0|0,0,0]=2 296 B5R0.2 CCCCCC 102412 [2,0,0,0,0,0|0,0,0]=2 297 B5R0.2 CCCCCI 349297 [2,0,0,0,0,0|1,0,0]=3 298 B5R0.2 CCCCCN 099587 [2,0,0,0,0,0|1,0,0]=3 299 B5R0.2 CCCCCO 101568 [2,0,0,0,0,0|0,0,0]=2 300 B5R0.2 CCCCNC 098817 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.2 CCCCNN 324841 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.2 CCCC[Zn]Br 213843 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.2 CCCNCC 099259 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.2 CCC\C=N\O 099610 [2,0,0,0,0,0|1,0,1]=4 305 B5R0.2 CCNCCO 094818 [2,0,0,0,0,0|1,0,0]=3 306 B5R0.2 CCOCCBr 001004 [2,0,0,0,0,0|2,0,0]=4 307 B5R0.2 CCOCCN 374636 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.2 CCOCCO 037421 [2,0,0,0,0,0|1,0,0]=3 309 B5R0.2 CCSCCCl 001741 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.2 CCSCCN 390974 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.2 CCSCCO 002951 [2,0,0,0,0,0|1,0,0]=3 312 B5R0.2 CCSSCC 103992 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.2 CC\C=C/CO 386381 [2,0,0,0,0,0|0,0,2]=4 314 B5R0.2 CNCCCN 300980 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.2 CNCCCO 239815 [2,0,0,0,0,0|1,0,0]=3 316 B5R0.2 CNCCNC 043850 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.2 CNCCOC 011340 [2,0,0,0,0,0|2,0,0]=4 318 B5R0.2 COCCCBr 043598 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.2 COCCCN 242837 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.2 COCCCO 078666 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.2 COCCOC 098861 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.2 COCCOC 106693 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.2 CSCCCN 103438 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.2 CSCCCO 069294 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.2 ClCCCCBr 235481 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.2 ClCCCCCl 099062 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.2 ClCCCCI 242676 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.2 FCCCCBr 001725 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.2 ICCCCI 239851 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.2 NCCCCBr 227649 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.2 NCCCCN 098368 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.2 NCCCCO 036678 [2,0,0,0,0,0|1,0,0]=3 333 B5R0.2 OCCCCBr 036997 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.2 OCCCCCl 097634 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.2 SCCCCS 102622 [2,0,0,0,0,0|1,1,0]=4 336 B5R0.2 [C-]#[N+]CCCC 021027 [2,0,0,0,0,0|1,0,1]=4 337 B7R0.3 CC(CN)CCCN 098814 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.3 CCC(=O)NCCO 402339 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.3 CCCCC(=O)OC 103432 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.3 CCCC\C(C)=N\O 104327 [1,1,0,0,0,0|1,0,1]=4 341 B7R0.4 CC(=O)CCCCCl 240931 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.4 CC(C)CNCCN 104760 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.4 CC(C)OCCCN 520884 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.4 CCCCCB(O)O 208660 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.4 CCCCCC(=O)Cl 099325 [1,1,0,0,0,0|0,0,2]=4 346 B7R0.4 CCCCCC(=O)O 066626 [1,1,0,0,0,0|0,0,1]=3 347 B7R0.4 CCCCCC(C)=O 104307 [1,1,0,0,0,0|0,0,1]=3 348 B7R0.4 CCCCCC(C)O 235688 [1,1,0,0,0,0|0,0,0]=2 349 B7R0.4 CCCCC[N+](=O)[O-] 106183 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.4 CCCCNC(C)=O 103568 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.4 CCCCOC(C)=O 098991 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.4 CCCCOC(C)=O 102158 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.4 CCCSCC(=O)O 311047 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.4 CCNCCN(C)C 402341 [1,1,0,0,0,0|2,0,0]=4 355 B7R0.4 CN(C)CCCCN 019580 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.4 CNCCCN(C)C 065099 [1,1,0,0,0,0|2,0,0]=4 357 B7R0.4 CNCCNC(C)C 024580 [1,1,0,0,0,0|2,0,0]=4 358 B7R0.4 COCCNC(C)C 013931 [1,1,0,0,0,0|2,0,0]=4 359 B7R0.4 NCCCCC(=O)O 226047 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.4 O=C(O)CCCCBr 075266 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.7 CCCC(N)CCC 144200 [1,1,0,0,0,0|0,0,0]=2 362 B7R0.7 CCOC(C)OCC 358253 [1,1,0,0,0,0|2,0,0]=4 363 B7R0.7 CN(CCO)CCO 358284 [1,1,0,0,0,0|2,0,0]=4 364 B7R0.7 COCC(N)COC 091645 [1,1,0,0,0,0|2,0,0]=4 365 B9R0.5 CCCCCC(=O)OCC 103045 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.5 CCCCCC(C)N=C=S 008976 [0,2,0,0,0,0|0,1,1]=4 367 B9R0.5 CCCCOC(=O)CCS 520900 [0,2,0,0,0,0|0,1,1]=4 368 B9R0.5 CCOC(=O)CCCCBr 078683 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.5 CCOC(=O)CCCCI 103069 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.18 CCCCC(=O)CCCC 099000 [0,2,0,0,0,0|1,0,0]=3 371 B9R0.18 CCCCC(O)CCCC 180155 [0,2,0,0,0,0|1,0,0]=3 372 B9R0.18 CCCCS(=O)CCCC 002969 [0,2,0,0,0,0|1,0,0]=3 373 B9R0.18 CCCC[Sn](=O)CCCC 094481 [0,2,0,0,0,0|1,0,0]=3 374 B9R0.18 CN(CCCN)CCCN 046733 [0,2,0,0,0,0|2,0,0]=4 375 B9R0.34 CCOC(C)O[C@H](C)CO 104064 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.48 CN(C)CCN(C)CCO 224462 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.2 CC(=O)OCCCCCBr 464202 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.2 CCCCCCCC(=O)Cl 099180 [0,2,0,0,0,0|0,0,1]=3 379 B9R0.2 CCCCCCCC(=O)O 094565 [0,2,0,0,0,0|0,0,0]=2 380 B9R0.2 CCCCCCCC(C)=O 349299 [0,2,0,0,0,0|0,0,1]=3 381 B9R0.2 CCCCCCCC(C)O 321952 [0,2,0,0,0,0|0,0,0]=2 382 B9R0.2 CCCCCCOC(C)=O 102343 [0,2,0,0,0,0|0,0,2]=4 383 B9R0.2 CCCCC\C=C\B(O)O 103920 [0,2,0,0,0,0|0,0,2]=4 384 B9R0.2 NCCCCCCC(=O)O 078953 [0,2,0,0,0,0|0,0,1]=3 385 B9R0.2 O=C(O)CCCCCCBr 236587 [0,2,0,0,0,0|0,0,1]=3 386 B9R0.45 BrCCCCCCCCBr 212569 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.45 C#CCCCCCCC#C 124010 [0,2,0,0,0,0|1,0,1]=4 388 B9R0.45 C#CCCCCCCCC 124500 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.45 C#CCCCCCCCO 243040 [0,2,0,0,0,0|0,0,0]=2 390 B9R0.45 C=CCCCCCCC=C 464584 [0,2,0,0,0,0|1,0,1]=4 391 B9R0.45 C=CCCCCCCCBr 080314 [0,2,0,0,0,0|1,0,0]=3 392 B9R0.45 C=CCCCCCCCC 200050 [0,2,0,0,0,0|1,0,0]=3 393 B9R0.45 C=CCCCCCCNC 104201 [0,2,0,0,0,0|1,0,0]=3 394 B9R0.45 CCCCC#CCCCC 124505 [0,2,0,0,0,0|1,0,0]=3 395 B9R0.45 CCCCCCCCC=O 018925 [0,2,0,0,0,0|0,0,1]=3 396 B9R0.45 CCCCCCCCCBr 001132 [0,2,0,0,0,0|1,0,0]=3 397 B9R0.45 CCCCCCCCCC 520891 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.45 CCCCCCCCCI 149300 [0,2,0,0,0,0|1,0,0]=3 399 B9R0.45 CCCCCCCCCN 018926 [0,2,0,0,0,0|1,0,0]=3 400 B9R0.45 CCCCCCCCCO 101572 [0,2,0,0,0,0|0,0,0]=2 401 B9R0.45 CCCCCCCCNC 046353 [0,2,0,0,0,0|1,0,0]=3 402 B9R0.45 CCCCCCCN=C=O 050930 [0,2,0,0,0,0|0,0,1]=3 403 B9R0.45 CCCCCCCN=C=S 008975 [0,2,0,0,0,0|0,1,0]=3 404 B9R0.45 CCCCCCNCCN 457429 [0,2,0,0,0,0|1,0,0]=3 405 B9R0.45 CCCCCC\C=C\C=O 106390 [0,2,0,0,0,0|0,0,2]=4 406 B9R0.45 CCCCCNCCC#N 018937 [0,2,0,0,0,0|1,0,0]=3 407 B9R0.45 CCCCCNCCCC 105047 [0,2,0,0,0,0|1,0,0]=3 408 B9R0.45 CCCCCNCCCN 104978 [0,2,0,0,0,0|1,0,0]=3 409 B9R0.45 CC\C=C/CCCCC=O 106733 [0,2,0,0,0,0|0,0,2]=4 410 B9R0.45 CC\C=C/CC\C=C\CO 106732 [0,2,0,0,0,0|0,0,2]=4 411 B9R0.45 ClCCCCCCCCCl 099031 [0,2,0,0,0,0|1,0,0]=3 412 B9R0.45 ClCCOCCOCCCl 002889 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.45 ICCCCCCCCI 104507 [0,2,0,0,0,0|1,0,0]=3 414 B9R0.45 NCCCCCCCCN 462631 [0,2,0,0,0,0|1,0,0]=3 415 B9R0.45 NCCOCCOCCN 098860 [0,2,0,0,0,0|2,0,0]=4 416 B9R0.45 NCCOCCOCCO 237702 [0,2,0,0,0,0|1,0,0]=3 417 B9R0.45 OCCCCCCCCBr 037015 [0,2,0,0,0,0|0,0,0]=2 418 B9R0.45 OCCCCCCCCO 078005 [0,2,0,0,0,0|0,0,0]=2 419 B9R0.45 OCCNCCNCCO 099106 [0,2,0,0,0,0|1,0,0]=3 420 B9R0.45 OCCOCCOCCCl 240359 [0,2,0,0,0,0|1,0,0]=3 421 B9R0.45 OCCOCCOCCO 209050 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.46 CCCCCCC(=O)NN 045793 [0,2,0,0,0,0|0,0,2]=4 423 B9R0.46 CCCCCCC(O)CO 339957 [0,2,0,0,0,0|0,0,0]=2 424 B9R0.46 COC(=O)CCCCCBr 240729 [0,2,0,0,0,0|1,0,1]=4 425 B9R0.46 COC(=O)CCCCCN 079812 [0,2,0,0,0,0|1,0,1]=4 426 B9R0.47 CCCCCC(C)C(=O)O 002772 [0,2,0,0,0,0|0,0,1]=3 427 B9R0.47 NCCCC[C@H](N)C(=O)O 044909 [0,2,0,0,0,0|1,0,1]=4 428 B9R0.47 NCCCC[C@H](N)C(=O)O M03093 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.50 CCN(CC)CCCCN 058507 [0,2,0,0,0,0|2,0,0]=4 430 B9R0.38 CCCCCCS(=O)(=O)Cl 021391 [0,2,0,0,0,0|1,0,1]=4 431 B9R0.38 CCCCCCS(=O)(=O)[O-] 009636 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.38 C[N+](C)(C)CCCCCBr 544602 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.38 FC(F)(F)CCCCCBr 024829 [0,2,0,0,0,0|2,0,0]=4 434 B9R0.38 FC(F)(F)CCCCCI 094110 [0,2,0,0,0,0|2,0,0]=4 435 B7R1.1 BrCC1CCCC1 036984 [1,0,0,1,0,0|1,0,0]=3 436 B7R1.1 BrCC1CCCO1 067835 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.1 BrCC1OCCO1 077359 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.1 C#CC1CCCC1 099433 [1,0,0,1,0,0|0,0,2]=4 439 B7R1.1 CCC1=NCCO1 336609 [1,0,0,1,0,0|1,0,1]=4 440 B7R1.1 CNC1CCCC1 024973 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.1 COC1CCCC1 094844 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.1 COC1CCCC1 106161 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.1 ClCC1CCCO1 171500 [1,0,0,1,0,0|1,0,0]=3 444 B7R1.1 ClCC1OCCO1 080067 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.1 N#CC1CCCC1 467169 [1,0,0,1,0,0|1,0,1]=4 446 B7R1.1 NCC1CCCO1 094973 [1,0,0,1,0,0|1,0,0]=3 447 B7R1.1 NC[C@@H]1CCCO1 228127 [1,0,0,1,0,0|1,0,0]=3 448 B7R1.1 NC[C@H]1CCCO1 216897 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.1 NNC1CCCC1 069074 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.1 OCC1CCCC1 067781 [1,0,0,1,0,0|0,0,0]=2 451 B7R1.1 OCC1CCCN1 093752 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.1 OCC1CCCO1 235709 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.1 OCC1CCOC1 208614 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.1 OC[C@@H]1CCCN1 M03445 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.1 OC[C@H]1CCCN1 045535 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.1 OC[C@H]1CCCO1 304017 [1,0,0,1,0,0|1,0,0]=3 457 B7R1.1 ON=C1CCCC1 227999 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.1 [C-]#[N+]C1CCCC1 021030 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.3 BrC1CCCCC1 097678 [1,0,0,1,0,0|1,0,0]=3 460 B7R1.3 BrC1CCNCC1 024234 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.3 BrC1CCOCC1 077342 [1,0,0,1,0,0|2,0,0]=4 462 B7R1.3 C=C1CCCCC1 238843 [1,0,0,1,0,0|0,0,2]=4 463 B7R1.3 CC1=CCCCC1 098887 [1,0,0,1,0,0|0,0,2]=4 464 B7R1.3 CC1CCCCC1 013924 [1,0,0,1,0,0|0,0,0]=2 465 B7R1.3 CC1CCCCN1 098820 [1,0,0,1,0,0|1,0,0]=3 466 B7R1.3 CC1CCCNC1 095841 [1,0,0,1,0,0|1,0,0]=3 467 B7R1.3 CC1CCNCC1 005025 [1,0,0,1,0,0|1,0,0]=3 468 B7R1.3 CC1CCNCC1 106043 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.3 CC1CNCCN1 023229 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.3 CC1CNCCO1 075555 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.3 CC1COCCN1 093767 [1,0,0,1,0,0|2,0,0]=4 472 B7R1.3 CC1SCCCS1 069036 [1,0,0,1,0,0|1,1,0]=4 473 B7R1.3 CN1CCCCC1 098869 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.3 CN1CCNCC1 022134 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.3 CN1CCNCC1 104603 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.3 CN1CCNCC1 320129 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.3 CN1CCOCC1 043444 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.3 CN1CCOCC1 104657 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.3 C[C@@H]1CNCCN1 011823 [1,0,0,1,0,0|2,0,0]=4 480 B7R1.3 C[C@H]1CNCCN1 011818 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.3 C[C@H]1CNCCO1 076728 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.3 ClC1CCCCC1 494120 [1,0,0,1,0,0|1,0,0]=3 483 B7R1.3 ClC1CCNCC1 040191 [1,0,0,1,0,0|2,0,0]=4 484 B7R1.3 FC1CCCNC1 009738 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.3 FC1CCNCC1 009739 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.3 IC1CCCCC1 095024 [1,0,0,1,0,0|1,0,0]=3 487 B7R1.3 IC1CCOCC1 067477 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.3 NC1CCCCC1 005016 [1,0,0,1,0,0|1,0,0]=3 489 B7R1.3 NC1CCCCC1 094537 [1,0,0,1,0,0|1,0,0]=3 490 B7R1.3 NC1CCCCC1 123312 [1,0,0,1,0,0|1,0,0]=3 491 B7R1.3 NC1CCCNC1 064988 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.3 NC1CCCOC1 041901 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.3 NC1CCNCC1 011407 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.3 NC1CCOCC1 023514 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.3 NC1CCOCC1 043887 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.3 NN1CCCCC1 235886 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.3 O=C1CCCCC1 046757 [1,0,0,1,0,0|0,0,2]=4 498 B7R1.3 O=C1CCCCC1 101607 [1,0,0,1,0,0|0,0,2]=4 499 B7R1.3 O=C1CCCCO1 448260 [1,0,0,1,0,0|1,0,1]=4 500 B7R1.3 OC1CCCCC1 094602 [1,0,0,1,0,0|0,0,0]=2 501 B7R1.3 OC1CCCCO1 068766 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.3 OC1CCCNC1 011774 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.3 OC1CCCNC1 068876 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.3 OC1CCCOC1 047681 [1,0,0,1,0,0|1,0,0]=3 505 B7R1.3 OC1CCNCC1 043869 [1,0,0,1,0,0|1,0,0]=3 506 B7R1.3 OC1CCOCC1 068764 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.3 OC1COCOC1 069030 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.3 O[C@@H]1CCCNC1 011776 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.3 O[C@H]1CCCNC1 011775 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.3 SC1CCCCC1 099097 [1,0,0,1,0,0|0,1,0]=3 511 B7R1.4 CC1CCCC1=O 217631 [1,0,0,1,0,0|0,0,2]=4 512 B7R1.4 CC1OCCC1S 358069 [1,0,0,1,0,0|1,1,0]=4 513 B7R1.4 N[C@@H]1CCC[C@H]1O 093661 [1,0,0,1,0,0|1,0,0]=3 514 B7R1.4 O[C@@H]1CNC[C@H]1F 360781 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.4 O[C@H]1CCC[C@H]1O 342198 [1,0,0,1,0,0|1,0,0]=3 516 B7R1.4 O[C@H]1CNC[C@@H]1O 224938 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.4 O[C@H]1COC[C@H]1O 319812 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.6 CNCC1CCC1 104292 [1,0,0,1,0,0|1,0,0]=3 519 B7R1.7 CCCCC1CO1 099159 [1,0,0,1,0,0|0,0,0]=2 520 B7R1.24 C1CCCNCC1 099635 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.24 C1CNCCNC1 021581 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.24 C1CNCCOC1 043839 [1,0,0,1,0,0|1,0,0]=3 523 B7R1.24 C1CNCCOC1 061573 [1,0,0,1,0,0|1,0,0]=3 524 B9R1.2 CCN1CCCC(O)C1 219023 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.2 CN1CCCC(CCl)C1 391674 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.2 CN1CCCC(CO)C1 077301 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.8 BrCCC1CCCCC1 220157 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.8 BrCCC1OCCCO1 049759 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.8 C#CCC1CCCCC1 009112 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.8 CCNC1CCCCC1 078851 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.8 CCOC1=NCCCC1 044390 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.8 CNCC1CCCCC1 359898 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.8 ClCCN1CCCCC1 079109 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.8 ClCCN1CCOCC1 079579 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.8 ClCCN1CCOCC1 209973 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.8 ICCC1CCCCC1 101668 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.8 N#CCN1CCCCC1 009680 [0,1,0,1,0,0|1,0,1]=4 538 B9R1.8 NCCC1=CCCCC1 233674 [0,1,0,1,0,0|1,0,1]=4 539 B9R1.8 NCCN1CCCCC1 222040 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.8 NCCN1CCNCC1 079259 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.8 NCCN1CCOCC1 036218 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.8 NCCN1CCSCC1 080315 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.8 O=C=NC1CCCCC1 123400 [0,1,0,1,0,0|0,0,2]=4 544 B9R1.8 O=CCC1CCOCC1 208751 [0,1,0,1,0,0|0,0,2]=4 545 B9R1.8 O=CNC1CCCCC1 099604 [0,1,0,1,0,0|0,0,2]=4 546 B9R1.8 OCCC1CCCCC1 225442 [0,1,0,1,0,0|0,0,0]=2 547 B9R1.8 OCCC1CCCCN1 049886 [0,1,0,1,0,0|0,0,0]=2 548 B9R1.8 OCCC1CCCCO1 309652 [0,1,0,1,0,0|0,0,0]=2 549 B9R1.8 OCCC1CCNCC1 005101 [0,1,0,1,0,0|0,0,0]=2 550 B9R1.8 OCCC1CCOCC1 067744 [0,1,0,1,0,0|0,0,0]=2 551 B9R1.8 OCCN1CCCCC1 237773 [0,1,0,1,0,0|0,0,0]=2 552 B9R1.8 OCCN1CCNCC1 005136 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.8 OCCN1CCOCC1 079380 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.8 S=C=NC1CCCCC1 008784 [0,1,0,1,0,0|0,1,1]=4 555 B9R1.12 CCOCC1CCCO1 047544 [0,1,0,1,0,0|0,0,0]=2 556 B9R1.12 N#CCCN1CCCC1 018988 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.12 NCCCN1CCCC1 049793 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.12 NCCCN1CCCC1 079499 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.12 OCCCN1CCCC1 223048 [0,1,0,1,0,0|0,0,0]=2 560 B9R1.15 CCN1CCNCC1C 024993 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.15 CN1CCCCC1CN 032202 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.15 CN1CCCCC1CO 077838 [0,1,0,1,0,0|0,0,0]=2 563 B9R1.33 CN1CCCC1CCN 040058 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.33 CN1CCCC1CCO 068968 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.33 O=C1CCCN1CCO 068970 [0,1,0,1,0,0|1,0,1]=4 566 B9R1.50 NC1CCCCCCC1 450396 [0,1,0,1,0,0|1,0,0]=3 567 B9R1.50 O=C1CCCCCCC1 237170 [0,1,0,1,0,0|0,0,1]=3 568 B9R1.69 CC1CCC(=O)CC1C 474237 [0,1,0,1,0,0|1,0,1]=4 569 B9R1.134 CCCC1(O)CCCC1 436751 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.14 CCN1CCCC1CN 035937 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.14 CCN1CCC[C@H]1CN 208756 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.14 O=CN1CCC[C@H]1CO 103549 [0,1,0,1,0,0|1,0,1]=4 573 B9R1.89 COC1=NCCCCC1 075009 [0,1,0,1,0,0|1,0,1]=4 574 B9R1.103 C1CCCCNCCC1 230409 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.1 CCC1CCC(=O)CC1 078867 [0,1,0,1,0,0|1,0,1]=4 576 B9R1.1 CCC1CCC(O)CC1 239570 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.1 CCN1CCC(N)CC1 024824 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.1 CC[C@H]1CC[C@@H](O)CC1 103343 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.1 CN1CCC(CN)CC1 032204 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.1 CN1CCC(CO)CC1 067759 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 208764 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.1 COC1CCC(N)CC1 375043 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.3 CC1CCCC(C)C1=O 493733 [0,1,0,1,0,0|0,0,2]=4 584 B9R1.11 COC(=O)C1CCCO1 241056 [0,1,0,1,0,0|1,0,1]=4 585 B9R1.118 C#CC1(N)CCCCC1 142400 [0,1,0,1,0,0|1,0,1]=4 586 B9R1.118 C#CC1(O)CCCCC1 102369 [0,1,0,1,0,0|1,0,1]=4 587 B9R1.118 NC1(CO)CCSCC1 447834 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.6 CC(=O)C1CCCCC1 045203 [0,1,0,1,0,0|0,0,2]=4 589 B9R1.6 CC(O)C1CCCCC1 239558 [0,1,0,1,0,0|0,0,0]=2 590 B9R1.6 CN(C)C1CCCCC1 243039 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.6 NC(=O)C1CCCCC1 094742 [0,1,0,1,0,0|0,0,2]=4 592 B9R1.6 O=C(Cl)C1CCCCC1 099402 [0,1,0,1,0,0|0,0,2]=4 593 B9R1.6 O=C(O)C1CCCCC1 079483 [0,1,0,1,0,0|0,0,1]=3 594 B9R1.6 O=C(O)C1CCCCN1 024932 [0,1,0,1,0,0|1,0,1]=4 595 B9R1.6 O=C(O)C1CCCCN1 321687 [0,1,0,1,0,0|1,0,1]=4 596 B9R1.6 O=C(O)C1CCCNC1 013177 [0,1,0,1,0,0|1,0,1]=4 597 B9R1.6 O=C(O)C1CCCOC1 091939 [0,1,0,1,0,0|1,0,1]=4 598 B9R1.6 O=C(O)C1CCNCC1 009837 [0,1,0,1,0,0|1,0,1]=4 599 B9R1.6 O=C(O)C1CCOCC1 043853 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.6 O=C(O)[C@@H]1CCCCN1 040065 [0,1,0,1,0,0|1,0,1]=4 601 B9R1.6 O=C(O)[C@@H]1CCCNC1 034461 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.6 O=C(O)[C@H]1CCCCN1 034512 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.6 OB(O)C1CCCCC1 011024 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.13 O=C(O)CC1CCCC1 236727 [0,1,0,1,0,0|0,0,1]=3 605 B9R1.13 O=C(O)C[C@@H]1CCNC1 301008 [0,1,0,1,0,0|1,0,1]=4 606 B9R1.40 CC1(C)CCCCC1=O 049771 [0,1,0,1,0,0|0,0,2]=4 607 B9R1.40 CC1CNCCC1(F)F 094527 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.40 FC1(F)CCCCC1Cl 070002 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O 104527 [0,1,0,1,0,0|1,0,1]=4 610 B9R1.85 O=C(O)CSCC1CC1 311042 [0,1,0,1,0,0|1,0,1]=4 611 B9R2.68 C1CC2COCC1N2 078152 [0,0,0,2,0,0|2,0,0]=4 612 B9R2.39 O=C1CC2CCC1C2 463393 [0,0,0,2,0,0|0,0,2]=4 613 B9R2.39 OC1CC2CCC1C2 103358 [0,0,0,2,0,0|0,0,0]=2 614 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1Br)C2 468302 [0,0,0,2,0,0|1,0,0]=3 615 B9R2.39 [C@@H]12CC[C@@H](C[C@H]1O)C2 328901 [0,0,0,2,0,0|0,0,0]=2 616 B9R2.109 O=C1CCCC2OC12 329460 [0,0,0,2,0,0|1,0,1]=4 617 B9R2.3 C1CC2CNCC2C1 076461 [0,0,0,2,0,0|1,0,0]=3