0 B9R0.45 BrCCCCCCCCBr 212569 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 C#CCCCCCCC#C 124010 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 C#CCCCCCCCC 124500 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.45 C#CCCCCCCCO 243040 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 C=CCCCCCCC=C 464584 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 C=CCCCCCCCBr 080314 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.45 C=CCCCCCCCC 200050 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.45 C=CCCCCCCNC 104201 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 CCCCC#CCCCC 124505 [0,0,0,0,0,0|1,0,3]=4 9 B9R0.45 CCCCCCCCC=O 018925 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.45 CCCCCCCCCBr 001132 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.45 CCCCCCCCCC 520891 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.45 CCCCCCCCCI 149300 [0,0,0,0,0,0|1,0,1]=2 13 B9R0.45 CCCCCCCCCN 018926 [0,0,0,0,0,0|1,0,1]=2 14 B9R0.45 CCCCCCCCCO 101572 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.45 CCCCCCCCNC 046353 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.45 CCCCCCCN=C=O 050930 [0,0,0,0,0,0|1,0,1]=2 17 B9R0.45 CCCCCCCN=C=S 008975 [0,0,0,0,0,0|1,1,1]=3 18 B9R0.45 CCCCCCNCCN 457429 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.45 CCCCCC\C=C\C=O 106390 [0,0,0,0,0,0|0,0,2]=2 20 B9R0.45 CCCCCNCCC#N 018937 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.45 CCCCCNCCCC 105047 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.45 CCCCCNCCCN 104978 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.45 CCCC\C=C\C=C\C=O 106729 [0,0,0,0,0,0|0,0,4]=4 24 B9R0.45 CC\C=C/CCCCC=O 106733 [0,0,0,0,0,0|0,0,2]=2 25 B9R0.45 ClCCCCCCCCCl 099031 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.45 ICCCCCCCCI 104507 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.45 NCCCCCCCCN 462631 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.45 OCCCCCCCCBr 037015 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.45 OCCCCCCCCO 078005 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.4 BrCCCCCCCBr 235871 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.4 C#CCCCCCCCl 099431 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.4 C=CCCCCCCBr 043893 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.4 C=CCCCCCCI 505959 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.4 C=CCCCCCNC 104411 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.4 CCCCC#CCCO 162900 [1,0,0,0,0,0|0,0,3]=4 36 B8R0.4 CCCCCC#CCBr 009063 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.4 CCCCCCCC#N 098851 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.4 CCCCCCCC=O 349298 [1,0,0,0,0,0|0,0,0]=1 39 B8R0.4 CCCCCCCCBr 021865 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.4 CCCCCCCCCl 520471 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.4 CCCCCCCCI 104506 [1,0,0,0,0,0|1,0,0]=2 42 B8R0.4 CCCCCCCCN 099074 [1,0,0,0,0,0|1,0,0]=2 43 B8R0.4 CCCCCCCCO 098917 [1,0,0,0,0,0|0,0,1]=2 44 B8R0.4 CCCCCCCCS 099014 [1,0,0,0,0,0|0,1,0]=2 45 B8R0.4 CCCCCCCNC 104338 [1,0,0,0,0,0|1,0,1]=3 46 B8R0.4 CCCCCCN=C=S 008979 [1,0,0,0,0,0|1,1,1]=4 47 B8R0.4 CCCCCCOC=O 102668 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.4 CCCCCCSC#N 023925 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.4 CCCCCNCCC 104994 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.4 CCCCC\C=C\C=O 103998 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.4 CCCCNCCC#N 018332 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.4 CCCCNCCCC 095822 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.4 CCCCNCCCN 104976 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.4 CCCCOCCCN 386779 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.4 CCCCSCCCC 098351 [1,0,0,0,0,0|1,0,1]=3 56 B8R0.4 CCCC\C=C/CCO 106319 [1,0,0,0,0,0|0,0,3]=4 57 B8R0.4 CCOCCCN=C=O 043787 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.4 CCOCCNCCN 105133 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.4 CNCCCCCCO 062955 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.4 NCCCCCCCN 321947 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.4 NCCCNCCCN 358058 [1,0,0,0,0,0|3,0,0]=4 62 B10R0.1 CCCCCCC(=O)CCC 240668 [0,1,0,0,0,0|1,0,2]=4 63 B10R0.1 CCCCCCC(C)N=C=O 021015 [0,1,0,0,0,0|1,0,1]=3 64 B10R0.4 CC(C)CCCCCCCO 242242 [0,1,0,0,0,0|0,0,2]=3 65 B10R0.4 CCCCCCCCC(=O)Cl 099081 [0,1,0,0,0,0|0,0,0]=1 66 B10R0.4 CCCCCCCCC(=O)O 161400 [0,1,0,0,0,0|0,0,0]=1 67 B10R0.4 CCCCCCCCC(N)=O 099214 [0,1,0,0,0,0|0,0,0]=1 68 B10R0.4 CCCCCCCCN(C)C 098964 [0,1,0,0,0,0|2,0,0]=3 69 B10R0.4 CCCCCCCNC(C)=O 104336 [0,1,0,0,0,0|1,0,0]=2 70 B10R0.4 CCCCCCCOC(=O)Cl 024777 [0,1,0,0,0,0|1,0,0]=2 71 B10R0.4 NC(=O)CCCCCCCBr 104466 [0,1,0,0,0,0|1,0,0]=2 72 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [0,1,0,0,0,0|1,0,0]=2 73 B10R0.4 O=C(O)CCCCCCCBr BR1099 [0,1,0,0,0,0|1,0,0]=2 74 B10R0.71 C=CCCCCCCCCBr 003439 [0,1,0,0,0,0|1,0,0]=2 75 B10R0.71 C=CCCCCCCCCI 105744 [0,1,0,0,0,0|1,0,0]=2 76 B10R0.71 C=CCCCCCCCCO 102610 [0,1,0,0,0,0|1,0,0]=2 77 B10R0.71 CCCCC#CCCCCO 009120 [0,1,0,0,0,0|0,0,3]=4 78 B10R0.71 CCCCCCCC#CCO 009119 [0,1,0,0,0,0|0,0,3]=4 79 B10R0.71 CCCCCCCCCC#N 099664 [0,1,0,0,0,0|1,0,1]=3 80 B10R0.71 CCCCCCCCCC=O 223253 [0,1,0,0,0,0|0,0,0]=1 81 B10R0.71 CCCCCCCCCCBr 099716 [0,1,0,0,0,0|1,0,1]=3 82 B10R0.71 CCCCCCCCCCF 004615 [0,1,0,0,0,0|1,0,1]=3 83 B10R0.71 CCCCCCCCCCI 148000 [0,1,0,0,0,0|1,0,1]=3 84 B10R0.71 CCCCCCCCCCN 240983 [0,1,0,0,0,0|1,0,1]=3 85 B10R0.71 CCCCCCCCCCO 043323 [0,1,0,0,0,0|0,0,2]=3 86 B10R0.71 CCCCCCCCCCS 098561 [0,1,0,0,0,0|0,1,1]=3 87 B10R0.71 CCCCCCCCCSC 099662 [0,1,0,0,0,0|0,1,1]=3 88 B10R0.71 CCCCCCCCN=C=O 104259 [0,1,0,0,0,0|0,0,1]=2 89 B10R0.71 CCCCCCCCOC=O 102669 [0,1,0,0,0,0|0,0,0]=1 90 B10R0.71 CCCCCCC\C=C\C=O 319883 [0,1,0,0,0,0|0,0,1]=2 91 B10R0.71 CCCCCCNCCC#N 018707 [0,1,0,0,0,0|1,0,1]=3 92 B10R0.71 CCCCCCNCCCC 105063 [0,1,0,0,0,0|1,0,1]=3 93 B10R0.71 CCCCCCNCCCN 105016 [0,1,0,0,0,0|1,0,1]=3 94 B10R0.71 CCCCCNCCCCC 098918 [0,1,0,0,0,0|1,0,1]=3 95 B10R0.71 CCCCC\C=C\C=C\C=O 240376 [0,1,0,0,0,0|0,0,3]=4 96 B10R0.71 CCCCOCCOCCO 448626 [0,1,0,0,0,0|1,0,2]=4 97 B10R0.71 ClCCCCCCCCCCl 210315 [0,1,0,0,0,0|1,0,1]=3 98 B10R0.71 NCCCCCCCCCN 493684 [0,1,0,0,0,0|1,0,1]=3 99 B10R0.71 OCCCCCCCCCBr 040707 [0,1,0,0,0,0|0,0,2]=3 100 B10R0.74 CCCCCCCC(=O)OC 242814 [0,1,0,0,0,0|2,0,1]=4 101 B10R0.91 C=CCOC(=O)CCCCC 240754 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.4 CCCC1CCCCC1O 104626 [0,0,0,1,0,0|0,0,2]=3 103 B10R1.17 CCCCC1CCNCC1 076847 [0,0,0,1,0,0|2,0,1]=4 104 B10R1.17 N#CCCN1CCCCC1 317446 [0,0,0,1,0,0|2,0,1]=4 105 B10R1.17 NCCCN1CCCCC1 059558 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.17 NNCCN1CCCCC1 046281 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.17 O=C=NCC1CCOCC1 067803 [0,0,0,1,0,0|2,0,1]=4 108 B10R1.17 OCCCC1CCCCC1 240944 [0,0,0,1,0,0|0,0,2]=3 109 B10R1.17 OCCCC1CCCCN1 309005 [0,0,0,1,0,0|1,0,2]=4 110 B10R1.17 OCCCN1CCCCC1 321845 [0,0,0,1,0,0|1,0,2]=4 111 B10R1.17 OCCNC1CCCCC1 094557 [0,0,0,1,0,0|1,0,2]=4 112 B10R1.20 CNC1CCCCC1NC 043528 [0,0,0,1,0,0|3,0,0]=4 113 B10R1.20 CN[C@@H]1CCCC[C@H]1NC 011504 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.20 CN[C@@H]1CCCC[C@H]1NC 012698 [0,0,0,1,0,0|3,0,0]=4 115 B10R1.20 CN[C@H]1CCCC[C@@H]1NC 034487 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.21 N#CCCCN1CCCC1 044666 [0,0,0,1,0,0|2,0,1]=4 117 B10R1.21 NCCCCN1CCCC1 044637 [0,0,0,1,0,0|2,0,1]=4 118 B10R1.29 NCCCN1CCCC1=O 013416 [0,0,0,1,0,0|2,0,0]=3 119 B10R1.78 O=C1CCCCCCCN1 098992 [0,0,0,1,0,0|1,0,0]=2 120 B10R1.85 ClCCN1CCCCCC1 067867 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.85 NCCN1CCCCCC1 019194 [0,0,0,1,0,0|2,0,1]=4 122 B10R1.85 O=C=NC1CCCCCC1 511955 [0,0,0,1,0,0|1,0,1]=3 123 B10R1.85 OCCN1CCCCCC1 403688 [0,0,0,1,0,0|1,0,2]=4 124 B10R1.85 S=C=NC1CCCCCC1 008783 [0,0,0,1,0,0|1,1,1]=4 125 B7R0.1 BrCCCCCCBr BR1156 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.1 C#CCCCCCC 162800 [2,0,0,0,0,0|0,0,2]=4 127 B7R0.1 C=CCCCCCBr 043892 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.1 C=CCCCCCC 200048 [2,0,0,0,0,0|0,0,1]=3 129 B7R0.1 C=CCCCCCI 103485 [2,0,0,0,0,0|1,0,1]=4 130 B7R0.1 C=CCCCCNC 036092 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.1 CC#CCCCCC 162802 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.1 CCCCCCC#N 001020 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.1 CCCCCCC=O 520883 [2,0,0,0,0,0|0,0,0]=2 134 B7R0.1 CCCCCCCBr BR1073 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.1 CCCCCCCC 162200 [2,0,0,0,0,0|0,0,0]=2 136 B7R0.1 CCCCCCCCl 106679 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.1 CCCCCCCF 003481 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.1 CCCCCCCI 243077 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.1 CCCCCCCN 099080 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.1 CCCCCCCO 101569 [2,0,0,0,0,0|0,0,1]=3 141 B7R0.1 CCCCCCNC 402340 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.1 CCCCNCCC 099392 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.1 CCCCNCCN 456370 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.1 CCCCNCCO 115900 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.1 CCCCOCCO 349293 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.1 CCCC\C=C\C=O 240980 [2,0,0,0,0,0|0,0,2]=4 147 B7R0.1 CCCNCCCN 240393 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.1 CCOCCOCC 098939 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.1 ClCCCCCCBr 093960 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.1 ClCCCCCCCl 242573 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.1 ClCCCCCCI 098037 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.1 ICCCCCCI 349296 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.1 NCCCCCCN 098831 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.1 NCCCCCCO 208673 [2,0,0,0,0,0|1,0,1]=4 155 B7R0.1 OCCCCCCCl 001744 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.1 OCCCCCCO 242635 [2,0,0,0,0,0|1,0,1]=4 157 B7R0.1 SCCCCCCS 102616 [2,0,0,0,0,0|1,1,0]=4 158 B9R0.2 CC(=O)OCCCCCBr 464202 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.2 CCCCCCCC(=O)Cl 099180 [1,1,0,0,0,0|0,0,0]=2 160 B9R0.2 CCCCCCCC(=O)O 094565 [1,1,0,0,0,0|0,0,0]=2 161 B9R0.2 CCCCCCCC(C)=O 349299 [1,1,0,0,0,0|0,0,0]=2 162 B9R0.2 CCCCCCCC(C)O 321952 [1,1,0,0,0,0|0,0,1]=3 163 B9R0.2 CCCCCCOC(C)=O 102343 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.2 NCCCCCCC(=O)O 078953 [1,1,0,0,0,0|1,0,0]=3 165 B9R0.2 O=C(O)CCCCCCBr 236587 [1,1,0,0,0,0|1,0,0]=3 166 B9R0.18 CCCCC(=O)CCCC 099000 [1,1,0,0,0,0|0,0,2]=4 167 B9R0.18 CCCCC(O)CCCC 180155 [1,1,0,0,0,0|0,0,1]=3 168 B9R0.18 CCCCS(=O)CCCC 002969 [1,1,0,0,0,0|1,0,1]=4 169 B9R0.18 CCCC[Sn](=O)CCCC 094481 [1,1,0,0,0,0|1,0,1]=4 170 B9R0.46 CCCCCCC(O)CO 339957 [1,1,0,0,0,0|0,0,1]=3 171 B11R0.81 C=CCOC(=O)CCCCCC 241116 [0,2,0,0,0,0|1,0,1]=4 172 B11R0.176 CCOC(=O)CCCCC(=O)O 013394 [0,2,0,0,0,0|1,0,1]=4 173 B11R0.30 CC(=O)NCCCCCC(=O)O 066650 [0,2,0,0,0,0|1,0,1]=4 174 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl 245769 [0,2,0,0,0,0|1,0,1]=4 175 B11R0.30 O=C(O)CCCCCCC(=O)O 079481 [0,2,0,0,0,0|1,0,1]=4 176 B11R0.40 CCCCCCC#CC(=O)OC 106728 [0,2,0,0,0,0|0,0,2]=4 177 B11R0.40 CCCCCCCCC(C)C=O 102661 [0,2,0,0,0,0|0,0,0]=2 178 B11R0.40 CCCCCCCCC(C)CO 104618 [0,2,0,0,0,0|0,0,2]=4 179 B11R0.40 CNC(=O)CCCCCCCBr 104471 [0,2,0,0,0,0|1,0,0]=3 180 B11R0.46 CCCCCC(O)CCC(N)=O 104651 [0,2,0,0,0,0|0,0,0]=2 181 B11R0.148 C=CCCCCCCCC(=O)O 002775 [0,2,0,0,0,0|0,0,1]=3 182 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [0,2,0,0,0,0|0,0,0]=2 183 B11R0.148 CCCCCCCCCC(=O)O 102961 [0,2,0,0,0,0|0,0,0]=2 184 B11R0.148 CCCCCCCCCC(C)=O 106727 [0,2,0,0,0,0|0,0,0]=2 185 B11R0.148 CCCCCCCCCC(N)=O 180363 [0,2,0,0,0,0|0,0,0]=2 186 B11R0.148 CCCCCCCCNC(N)=S 018931 [0,2,0,0,0,0|0,1,0]=3 187 B11R0.148 COCCOCCOCC(=O)O 104092 [0,2,0,0,0,0|2,0,0]=4 188 B11R0.148 O=C(O)CCCCCCCCBr 036989 [0,2,0,0,0,0|0,0,0]=2 189 B11R0.159 CCCCCCCCS(=O)(=O)Cl 239556 [0,2,0,0,0,0|1,0,0]=3 190 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 009637 [0,2,0,0,0,0|1,0,0]=3 191 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl 005287 [0,2,0,0,0,0|1,1,0]=4 192 B11R0.159 CCCCCCCC[Sn](Cl)(Cl)Cl 095165 [0,2,0,0,0,0|2,0,0]=4 193 B11R0.3 BrCCCCCCCCCCBr 126000 [0,2,0,0,0,0|1,0,1]=4 194 B11R0.3 C#CCCCCCCCCCO 013739 [0,2,0,0,0,0|0,0,2]=4 195 B11R0.3 C=CCCCCCCCCCBr 001789 [0,2,0,0,0,0|1,0,0]=3 196 B11R0.3 C=CCCCCCCCCCC 200052 [0,2,0,0,0,0|1,0,0]=3 197 B11R0.3 C=CCCCCCCCCCCl 005335 [0,2,0,0,0,0|1,0,0]=3 198 B11R0.3 C=CCCCCCCCCCO 075031 [0,2,0,0,0,0|1,0,0]=3 199 B11R0.3 CCCCCCCCCCCC 099221 [0,2,0,0,0,0|1,0,1]=4 200 B11R0.3 CCCCCCCCCCCO 349306 [0,2,0,0,0,0|0,0,2]=4 201 B11R0.3 CCCCCCCCNCCC 105042 [0,2,0,0,0,0|1,0,1]=4 202 B11R0.3 CCCCCCCC\C=C\C=O 104010 [0,2,0,0,0,0|0,0,0]=2 203 B11R0.3 CNCCCCCCCCCO 104744 [0,2,0,0,0,0|0,0,2]=4 204 B11R0.3 C\C=C\CCCCCCCC=O 104614 [0,2,0,0,0,0|0,0,0]=2 205 B11R0.3 ICCCCCCCCCCI 241327 [0,2,0,0,0,0|1,0,1]=4 206 B11R0.3 N#CCCCCCCCCC#N 099701 [0,2,0,0,0,0|1,0,1]=4 207 B11R0.3 NCCCCCCCCCCN 235695 [0,2,0,0,0,0|1,0,1]=4 208 B11R0.3 OCCCCCCCCCCO 221944 [0,2,0,0,0,0|0,0,2]=4 209 B11R0.140 CCCCCC(=O)CCCCC 241281 [0,2,0,0,0,0|1,0,1]=4 210 B11R0.140 CCCCCC(O)CCCCC 180377 [0,2,0,0,0,0|1,0,1]=4 211 B9R1.5 NC1CCCCNC1=O 011374 [1,0,0,1,0,0|2,0,0]=4 212 B9R1.5 N[C@@H]1CCCCNC1=O 034333 [1,0,0,1,0,0|2,0,0]=4 213 B9R1.5 N[C@H]1CCCCNC1=O 011373 [1,0,0,1,0,0|2,0,0]=4 214 B9R1.8 BrCCC1CCCCC1 220157 [1,0,0,1,0,0|1,0,0]=3 215 B9R1.8 C#CCC1CCCCC1 009112 [1,0,0,1,0,0|0,0,2]=4 216 B9R1.8 CCNC1CCCCC1 078851 [1,0,0,1,0,0|1,0,1]=4 217 B9R1.8 CNCC1CCCCC1 359898 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.8 ClCCN1CCCCC1 079109 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.8 ICCC1CCCCC1 101668 [1,0,0,1,0,0|1,0,0]=3 220 B9R1.8 NCCC1=CCCCC1 233674 [1,0,0,1,0,0|1,0,1]=4 221 B9R1.8 NCCN1CCCCC1 222040 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.8 O=C=NC1CCCCC1 123400 [1,0,0,1,0,0|1,0,1]=4 223 B9R1.8 O=CCC1CCOCC1 208751 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.8 O=CNC1CCCCC1 099604 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.8 OCCC1CCCCC1 225442 [1,0,0,1,0,0|0,0,1]=3 226 B9R1.8 OCCC1CCCCN1 049886 [1,0,0,1,0,0|1,0,1]=4 227 B9R1.8 OCCC1CCCCO1 309652 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.8 OCCC1CCNCC1 005101 [1,0,0,1,0,0|1,0,1]=4 229 B9R1.8 OCCC1CCOCC1 067744 [1,0,0,1,0,0|1,0,1]=4 230 B9R1.8 OCCN1CCCCC1 237773 [1,0,0,1,0,0|1,0,1]=4 231 B9R1.12 CCOCC1CCCO1 047544 [1,0,0,1,0,0|1,0,1]=4 232 B9R1.12 NCCCN1CCCC1 049793 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.12 NCCCN1CCCC1 079499 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.12 OCCCN1CCCC1 223048 [1,0,0,1,0,0|1,0,1]=4 235 B9R1.14 CCN1CCCC1CN 035937 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.14 CCN1CCC[C@H]1CN 208756 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.14 O=CN1CCC[C@H]1CO 103549 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.15 CN1CCCCC1CN 032202 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.15 CN1CCCCC1CO 077838 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.15 N#CC1CCCCC1=O 023580 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.33 CN1CCCC1CCN 040058 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.33 CN1CCCC1CCO 068968 [1,0,0,1,0,0|1,0,1]=4 243 B9R1.33 NCCN1CCCC1=O 037271 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.33 O=C1CCCN1CCO 068970 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.50 NC1CCCCCCC1 450396 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.50 O=C1CCCCCCC1 237170 [1,0,0,1,0,0|0,0,0]=2 247 B9R1.89 O=CN1CCCNCC1 307336 [1,0,0,1,0,0|2,0,0]=4 248 B9R1.103 C1CCCCNCCC1 230409 [1,0,0,1,0,0|1,0,0]=3 249 B11R1.16 C=CCC(N)C1CCNCC1 024713 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.16 C\C=C\C(O)C1CCCCC1 103866 [0,1,0,1,0,0|1,0,1]=4 251 B11R1.117 S=C=NC1CCCCCCC1 008785 [0,1,0,1,0,0|0,1,1]=4 252 B11R1.180 CCCCCC1CCCC1=O 239571 [0,1,0,1,0,0|0,0,0]=2 253 B11R1.180 CCCCCC1CCCC1O 104687 [0,1,0,1,0,0|0,0,2]=4 254 B11R1.199 CCOC(=O)C1CCCC1=O 078870 [0,1,0,1,0,0|1,0,1]=4 255 B11R1.27 CCCCCC1CCC(=O)O1 517774 [0,1,0,1,0,0|0,0,0]=2 256 B11R1.91 CC(=O)CCN1CCOCC1 041931 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.91 NC(=O)CCC1CCCCC1 102611 [0,1,0,1,0,0|0,0,0]=2 258 B11R1.91 O=C(Cl)CCC1CCCCC1 356854 [0,1,0,1,0,0|0,0,0]=2 259 B11R1.91 O=C(O)CCC1CCCCC1 242639 [0,1,0,1,0,0|0,0,0]=2 260 B11R1.91 O=C(O)CCN1CCCCC1 223466 [0,1,0,1,0,0|1,0,0]=3 261 B11R1.91 O=C(O)CCN1CCNCC1 020099 [0,1,0,1,0,0|2,0,0]=4 262 B11R1.91 O=C(O)CCN1CCOCC1 019995 [0,1,0,1,0,0|2,0,0]=4 263 B11R1.172 O=C(O)CCCN1CCCC1 094437 [0,1,0,1,0,0|1,0,0]=3 264 B11R1.17 COCCC1CCCCN1C 032598 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.28 N#CCCCN1CCCCC1 080096 [0,1,0,1,0,0|1,0,1]=4 266 B11R1.28 N#CCCNC1CCCCC1 018475 [0,1,0,1,0,0|1,0,1]=4 267 B11R1.28 NCCCCN1CCCCC1 058989 [0,1,0,1,0,0|1,0,1]=4 268 B11R1.28 NCCCNC1CCCCC1 242596 [0,1,0,1,0,0|1,0,1]=4 269 B11R1.1 CCCCC1CCC(O)CC1 239575 [0,1,0,1,0,0|1,0,1]=4 270 B11R1.40 N[C@H](CO)CC1CCCCC1 091484 [0,1,0,1,0,0|0,0,2]=4 271 B11R1.381 CCN1CCCC[C@H](N)C1=O 011371 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.900 CCCCC1(O)CCCCC1 403681 [0,1,0,1,0,0|1,0,1]=4 273 B11R2.20 C1CCC2CCCCC2C1 105872 [0,0,0,2,0,0|1,0,1]=4