0 B6R0.6 BrCCCCCBr BEJL02301 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCC#C HR143158 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCCCC=O VIJL03309 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.6 C#CCCCCO HR141440 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 C=CCCCC#N HR140662 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 C=CCCCCBr HR137464 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 C=CCCCCCl HR113553 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 C=CCCCCN HR143196 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 C=CCCCCO HR120838 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 C=CCOCCO HR133981 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 C=CCSCCC HR130566 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 C=CCSSCC HR131362 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 C=CCSSSC HR133069 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 C=COCCCC PAJB01004 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 C=COCCON SESA05511 [0,0,0,0,0,0|3,1,0]=4 15 B6R0.6 CCCCCCI HR101787 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.6 CCCCCCO HR108609 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.6 CCCCCCO HR127298 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.6 CCCCCC[SiH3] HR107072 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 CCCCCNC HR128731 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 CCCCC[Mg]Br HR116206 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.6 CCCCC[Mg]Cl HR115571 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 CCCCN=C=S HR144405 [0,0,0,0,0,0|2,1,1]=4 23 B6R0.6 CCCCNCC HR125662 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 CCCCOCCl HR132357 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.6 CCCCSC#N HR137924 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.6 CCCCS[SnH]=O HR100704 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 CCCC[Mg]CC HR115887 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.6 CCCOCCCl HR126380 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.6 CCCOCCO HR123698 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.6 CCCSSSC HR130630 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 CCC\C=C\C=O HR127670 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.6 CCNCCCN HR100502 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.6 CCOCCC#N HR132950 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 CCOCCCCl HR124824 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.6 CCOCCCN HR100101 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.6 CCOCCCO HR128209 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.6 CNCCCNC HR133916 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.6 COCCCCBr HR131929 [0,0,0,0,0,0|1,1,1]=3 39 B6R0.6 COCCCCCl HR130420 [0,0,0,0,0,0|1,1,1]=3 40 B6R0.6 COCCCCN HR141637 [0,0,0,0,0,0|1,1,1]=3 41 B6R0.6 COCCCCO HR129257 [0,0,0,0,0,0|0,1,2]=3 42 B6R0.6 COCCCOC HR127938 [0,0,0,0,0,0|2,1,0]=3 43 B6R0.6 COCCOCCl HR126799 [0,0,0,0,0,0|2,1,1]=4 44 B6R0.6 C\C=C\C=C\C=O HR122495 [0,0,0,0,0,0|1,0,3]=4 45 B6R0.6 C\C=C\CCCC HR145495 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.6 C\C=C\CCCO HR110400 [0,0,0,0,0,0|1,0,3]=4 47 B6R0.6 C\C=C\CCCO HR111291 [0,0,0,0,0,0|1,0,3]=4 48 B6R0.6 ClCCCCCBr HR125269 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.6 FCCCCCBr HR120213 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.6 N#CCCCCBr HR114079 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.6 N#CCCCCCl HR122521 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.6 NCCCCCN HR146969 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 NCCCCCO HR139094 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.6 O=C=NCCCCl HR108117 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 O=CCCCC=O HR141217 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.6 O=CCCCCCl HR119509 [0,0,0,0,0,0|2,0,0]=2 57 B6R0.6 O=CCCCCO HR116282 [0,0,0,0,0,0|2,0,0]=2 58 B6R0.6 O=CCOCCO HR117228 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.6 OCCCCCBr HR102868 [0,0,0,0,0,0|2,0,2]=4 60 B6R0.6 OCCCCCCl HR134047 [0,0,0,0,0,0|2,0,2]=4 61 B6R0.6 OCCCCCO HR136505 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.6 SCCCCCS HR128025 [0,0,0,0,0,0|2,1,1]=4 63 B6R0.6 [Li]CCCCCC HR142102 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.2 BrCCCCBr HR135783 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 C#CCCCBr HR107694 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 C#CCCCCl HR138891 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 C#CCCCO VIJL03307 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.2 C=CCCC=C HR145060 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 C=CCCCBr HR138516 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.2 C=CCCCN HR114551 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.2 C=CCCCO HR127694 [1,0,0,0,0,0|1,1,0]=3 72 B5R0.2 C=CCC[Mg]Br HR117163 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 C=CCSSC HR124486 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.2 C=COCCC HR122922 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.2 C=COCCO HR122391 [1,0,0,0,0,0|2,1,0]=4 76 B5R0.2 CCCCSC HR128739 [1,0,0,0,0,0|0,0,1]=2 77 B5R0.2 CCCC[Mg]Cl HR114410 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.2 CCCN=C=S HR101077 [1,0,0,0,0,0|1,1,1]=4 79 B5R0.2 CCCNCC HR129859 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 CCCSC#N HR138481 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 CCCSCC HR131098 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 CCCSSC HR127587 [1,0,0,0,0,0|1,0,1]=3 83 B5R0.2 CCNCCN HR124923 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CCNCCO HR131326 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.2 CCOCCBr HR147270 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 CCOCCCl HR125621 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 CCOCCN HR133098 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 CCOCCN HR141597 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 CCO\C=C\Br ATXF02514 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 CCSCCCl HR138028 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 CC\C=C\C=O HR111713 [1,0,0,0,0,0|0,0,2]=3 92 B5R0.2 CC\C=C\C=O HR139459 [1,0,0,0,0,0|0,0,2]=3 93 B5R0.2 CNCCC#N HR138081 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.2 CNCCCN HR127543 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.2 CNCCNC HR134870 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 COCCC#N HR131327 [1,0,0,0,0,0|1,1,1]=4 97 B5R0.2 COCCCBr HR11240 [1,0,0,0,0,0|1,1,0]=3 98 B5R0.2 COCCCCl HR128474 [1,0,0,0,0,0|1,1,0]=3 99 B5R0.2 COCCCN HR131273 [1,0,0,0,0,0|1,1,0]=3 100 B5R0.2 COCCCO HR1936 [1,0,0,0,0,0|0,1,1]=3 101 B5R0.2 COCCOC HR147135 [1,0,0,0,0,0|1,1,1]=4 102 B5R0.2 CSCCCCl HR118093 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.2 C\C=C\CCC HR121014 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.2 C\C=C\OCC HR128979 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 ClCCCCBr AZXF00302 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 ClCCCCI HR102777 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 ICCCCI HR127157 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 N#CCCC=O HR111731 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.2 N#CCCCBr HR128031 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 N#CCCCCl HR129927 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 NCCCCBr HR148711 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 NCCCCN HR123185 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.2 NCCCCO HR105259 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.2 O=C=NCCCl HR134295 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.2 O=CCCC=O HR100601 [1,0,0,0,0,0|0,1,1]=3 116 B5R0.2 O=COCCO HR145529 [1,0,0,0,0,0|1,1,0]=3 117 B5R0.2 OCCCCCl HR129662 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.2 SCCCCS HR128290 [1,0,0,0,0,0|0,1,1]=3 119 B7R0.1 BrCCCCCCBr HR134505 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.1 C#CCCCCCO HR13080 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.1 C=CCCCCCBr HR101918 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.1 C=CCCCCCCl HR110714 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.1 C=CCCCCNC HR139130 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.1 C=CCOCCCC HR129962 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.1 C=CCSSCCC HR124235 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.1 C=COCCCCO HR134521 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.1 CCCCCCCBr HR134594 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.1 CCCCCCCCl HR120915 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.1 CCCCCCCI HR126873 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.1 CCCCCCCO HR135329 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.1 CCCCCCCS HR126629 [0,1,0,0,0,0|1,1,1]=4 132 B7R0.1 CCCCCC[Mg]Br HR108941 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.1 CCCCCC[Mg]Cl HR110838 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.1 CCCCCN=C=O HR115565 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.1 CCCCNCCO HR101726 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.1 CCCCOCCCl HR133392 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.1 CCCC\C=C\C=O HR129000 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.1 CCCNCCCN HR100474 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.1 CCCNCCOC HR103597 [0,1,0,0,0,0|1,1,1]=4 140 B7R0.1 CCOCCCCCl HR130559 [0,1,0,0,0,0|1,1,1]=4 141 B7R0.1 CC\C=C\CCCC HR100327 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.1 COCCOCCBr HR125362 [0,1,0,0,0,0|1,1,1]=4 143 B7R0.1 COCCOCCO HR127002 [0,1,0,0,0,0|0,1,2]=4 144 B7R0.1 CSCCCN=C=S HR125806 [0,1,0,0,0,0|0,1,1]=3 145 B7R0.1 ClCCCCCCBr HR126311 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.1 ClCCCCCCCl HR135348 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.1 FCCCCCCBr HR144938 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.1 N#CCCCCCBr HR113799 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.1 NCCCCCCN HR128708 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.1 NCCCCCCO HR113176 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.1 O=CCCCCC=O HR122196 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.1 O=COCCOC=O HR101581 [0,1,0,0,0,0|1,1,1]=4 153 B7R0.1 OCCCCCCBr HR132457 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.1 OCCCCCCCl HR127389 [0,1,0,0,0,0|1,0,2]=4 155 B7R0.1 OCCCCCCO HR126915 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.1 OCCCCCCS HR108497 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.1 SCCCCCCS HR125411 [0,1,0,0,0,0|1,1,1]=4 158 B7R0.3 CCC(C)CCCO HR119648 [0,1,0,0,0,0|1,0,2]=4 159 B7R0.3 CCCCC(Br)CBr HR101739 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.3 CCCCC(O)CC HR100535 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.3 CCCCC(O)CO HR100017 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.3 COC(=O)CCC=O HR116651 [0,1,0,0,0,0|0,1,1]=3 163 B7R0.3 COCCC(C)OC HR124557 [0,1,0,0,0,0|2,1,0]=4 164 B7R0.3 CSCCC(N)CO HR124191 [0,1,0,0,0,0|0,0,2]=3 165 B7R0.3 CSCCC(N)CO HR124440 [0,1,0,0,0,0|0,0,2]=3 166 B7R0.4 C#CCCCC(=O)O HR119998 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.4 C=CCCCC(=O)O HR110118 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.4 C=CCNCC(=O)O HR144457 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.4 C=CCNCC(=O)O HR146187 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.4 CC(=O)CCCCBr HR125447 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.4 CC(=O)CCCCCl HR124124 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.4 CC(=O)OCCCCl HR130837 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.4 CC(C)CCCC=O HR117171 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.4 CC(C)CCCCBr HR119057 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.4 CC(C)CCCCO HR145339 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.4 CC(O)CCCCO HR100920 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.4 CCCCCB(O)O HR142127 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.4 CCCCCC(C)Br HR136114 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.4 CCCCCC(C)O HR113580 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.4 CCCCCC(C)O HR113894 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.4 CCCCCC(C)O HR133526 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.4 CCCCNC(N)=O HR125670 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.4 CCCCOC(N)=O HR123655 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.4 CCCCO[P+](=O)O HR109028 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.4 CN(C)CCCCN HR106772 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.4 N#CCCCC(=O)O HR118843 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.4 N#CCSCC(=O)O HR110059 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.4 N#CCSCC(=O)[O-] HR136238 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.4 NC(=O)COCCCl HR115417 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.4 NCCCCC(=O)O HR127046 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.4 NCCCCC(=O)O HR139651 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.4 O=C(Cl)CCCCBr HR138251 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.4 O=C(Cl)CCCCCl HR135830 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.4 O=C(Cl)OCCCCl HR136628 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.4 O=C(O)CCCCBr HR127598 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.4 O=C(O)CCCCCl HR127871 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.4 O=C(O)COCCCl HR100767 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.7 C=CCC(O)CC=C HR121999 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.7 CCCC(Br)CCC HR101804 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.7 CCCC(C)CCO HR101631 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.7 CCCC(N)CCC HR105135 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.7 CCCC(S)CCO HR131891 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.7 COCC(N)COC HR110454 [0,1,0,0,0,0|2,1,0]=4 206 B7R0.7 COCC(O)COC HR132165 [0,1,0,0,0,0|2,1,0]=4 207 B7R0.7 CSCC(O)CNN HR121914 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.1 BrCC1CCCC1 HR3104 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.1 BrCC1CCOC1 HR103769 [0,0,0,1,0,0|1,1,1]=4 210 B7R1.1 Br[Mg]C1CCCC1 HR125805 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.1 C#CC1CCCC1 HR119915 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.1 CNC1CCNC1 HR120595 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.1 CNC1CCNC1 HR120910 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.1 CNC1CCOC1 HR117706 [0,0,0,1,0,0|2,1,0]=4 215 B7R1.1 CNC1CCOC1 HR119346 [0,0,0,1,0,0|2,1,0]=4 216 B7R1.1 COC1CCCC1 HR102853 [0,0,0,1,0,0|1,1,1]=4 217 B7R1.1 COC1CCNC1 HR108681 [0,0,0,1,0,0|2,1,0]=4 218 B7R1.1 COC1CCNC1 HR121825 [0,0,0,1,0,0|2,1,0]=4 219 B7R1.1 COC1CCNC1 HR145941 [0,0,0,1,0,0|2,1,0]=4 220 B7R1.1 COC1CCNC1 HR145942 [0,0,0,1,0,0|2,1,0]=4 221 B7R1.1 COC1CCNC1 HR147769 [0,0,0,1,0,0|2,1,0]=4 222 B7R1.1 COC1CCNC1 HR147770 [0,0,0,1,0,0|2,1,0]=4 223 B7R1.1 Cl[Mg]C1CCCC1 HR125549 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.1 N#CC1CCNC1 HR149013 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.1 N#CC1CCOC1 HR111588 [0,0,0,1,0,0|1,1,1]=4 226 B7R1.1 NCC1CCCC1 HR113514 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.1 NCC1CCCC1 HR143637 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.1 NCC1CCOC1 HR112138 [0,0,0,1,0,0|1,1,1]=4 229 B7R1.1 NNC1CCCC1 HR137608 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.1 O=CC1=CCSC1 HR113279 [0,0,0,1,0,0|0,0,2]=3 231 B7R1.1 O=CC1CCCC1 HR129057 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.1 O=CC1CCCO1 HR106351 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.1 O=CC1CCOC1 HR111279 [0,0,0,1,0,0|0,1,0]=2 234 B7R1.1 OCC1CCCC1 HR132881 [0,0,0,1,0,0|1,0,2]=4 235 B7R1.1 OCC1CCNC1 HR102864 [0,0,0,1,0,0|1,0,2]=4 236 B7R1.1 OCC1CCNC1 HR103174 [0,0,0,1,0,0|1,0,2]=4 237 B7R1.1 OCC1CCNC1 HR106887 [0,0,0,1,0,0|1,0,2]=4 238 B7R1.1 OCC1CCNC1 HR120104 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.1 OCC1CCOC1 HR103184 [0,0,0,1,0,0|0,1,2]=4 240 B7R1.1 OCC1CCOC1 HR114642 [0,0,0,1,0,0|0,1,2]=4 241 B7R1.1 OCC1CCOC1 HR114966 [0,0,0,1,0,0|0,1,2]=4 242 B7R1.3 BrC1=CCCCC1 HR156605 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.3 BrC1C=CCCC1 HR103088 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.3 BrC1CCCCC1 HR130726 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.3 BrC1CCCOC1 HR120914 [0,0,0,1,0,0|1,1,1]=4 246 B7R1.3 C=C1CCNCC1 HR142260 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.3 CC1=CCCCC1 HR143913 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.3 CC1CCCCN1 HR103733 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.3 CC1CCCCN1 HR128173 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.3 CC1CCCCN1 HR149767 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.3 CC1CCCCN1 ROXF00402 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.3 CC1CCCNC1 HR146011 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.3 CN1CC=CCC1 HR147169 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.3 CN1CCCNC1 AZXF00305 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.3 ClC1=CCCCC1 HR129641 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.3 ClC1CCCCC1 HR135558 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.3 ClC1CCCOC1 HR146388 [0,0,0,1,0,0|1,1,1]=4 258 B7R1.3 FC1CCCNC1 HR105776 [0,0,0,1,0,0|2,0,1]=4 259 B7R1.3 FC1CCCNC1 HR151296 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.3 NC1CCCCC1 HR124720 [0,0,0,1,0,0|2,0,1]=4 261 B7R1.3 NC1CCCCC1 HR128823 [0,0,0,1,0,0|2,0,1]=4 262 B7R1.3 NC1CCCCC1 HR144083 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.3 NC1CCCCC1 HR145293 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.3 NC1CCCNC1 HR112662 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.3 NC1CCCNC1 HR11476 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.3 NC1CCCNC1 HR120946 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.3 NC1CCCNC1 HR134664 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.3 NC1CCCNC1 HR142505 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.3 NC1CCCNC1 HR3013 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.3 NC1CCCOC1 HR101943 [0,0,0,1,0,0|1,1,1]=4 271 B7R1.3 NC1CCCOC1 HR105701 [0,0,0,1,0,0|1,1,1]=4 272 B7R1.3 NC1CCCOC1 HR114985 [0,0,0,1,0,0|1,1,1]=4 273 B7R1.3 NC1CCCOC1 HR121806 [0,0,0,1,0,0|1,1,1]=4 274 B7R1.3 NN1CCCCC1 HR126890 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.3 NN1CCCCC1 HR127151 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.3 O=C1C=CCCC1 HR146309 [0,0,0,1,0,0|1,0,1]=3 277 B7R1.3 O=C1CCCCC1 SIJL01002 [0,0,0,1,0,0|1,0,0]=2 278 B7R1.3 O=C1CCCCN1 HR126393 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.3 O=C1CCCCO1 HR128412 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.3 O=C1CCCNC1 HR108093 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.3 O=C1CCCNC1 HR116769 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.3 O=C1CCCOC1 HR104744 [0,0,0,1,0,0|0,1,0]=2 283 B7R1.3 O=C1CCNCC1 CESA03001 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.3 O=C1CCNCC1 HR105315 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.3 O=C1CCNCC1 HR7756 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.3 O=C1CCOCC1 HR9557 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.3 O=C1CCSCC1 HR123861 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.3 O=C1CNCCN1 HR132423 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.3 O=C1CNCCO1 HR30209 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.3 O=C1COCCN1 HR115059 [0,0,0,1,0,0|1,1,0]=3 292 B7R1.3 O=C1COCCO1 HR127683 [0,0,0,1,0,0|1,1,0]=3 293 B7R1.3 O=C1CSCCN1 HR147732 [0,0,0,1,0,0|1,0,0]=2 294 B7R1.3 O=C1NCCCN1 HR123216 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.3 OC1C=CCCC1 HR108292 [0,0,0,1,0,0|3,0,0]=4 296 B7R1.3 OC1CCCCC1 HR122340 [0,0,0,1,0,0|1,0,2]=4 297 B7R1.3 OC1CCCNC1 HR11310 [0,0,0,1,0,0|1,0,2]=4 298 B7R1.3 OC1CCCNC1 HR122384 [0,0,0,1,0,0|1,0,2]=4 299 B7R1.3 OC1CCCNC1 HR128253 [0,0,0,1,0,0|1,0,2]=4 300 B7R1.3 OC1CCCNC1 HR138469 [0,0,0,1,0,0|1,0,2]=4 301 B7R1.3 OC1CCCOC1 HR105061 [0,0,0,1,0,0|0,1,2]=4 302 B7R1.3 ON1CCCCC1 HR106287 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.3 PC1CCCCC1 HR119652 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.3 SC1CCCCC1 HR119141 [0,0,0,1,0,0|1,1,1]=4 305 B7R1.4 BrC1=C(Br)CCC1 HR137703 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.4 C=C1CCOC1=O HR130328 [0,0,0,1,0,0|2,0,1]=4 307 B7R1.4 CC1=C(S)CCO1 HR124755 [0,0,0,1,0,0|2,1,0]=4 308 B7R1.4 CC1=CCCC1=O HR114448 [0,0,0,1,0,0|1,0,1]=3 309 B7R1.4 CC1CCCC1=O HR112329 [0,0,0,1,0,0|1,0,0]=2 310 B7R1.4 CC1CCNC1=O HR103871 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.4 CC1OCCC1=O HR131028 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.4 CC1SCCC1=O HR124610 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.4 CN1CCCC1=O HR130754 [0,0,0,1,0,0|1,0,0]=2 314 B7R1.4 CN1CCOC1=O HR132150 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.4 CN1CCSC1=S HR116749 [0,0,0,1,0,0|2,1,0]=4 316 B7R1.4 NC1CCNC1=O HR148583 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.4 NC1CCOC1=O HR103069 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.4 NC1CCOC1=O HR134625 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.4 NC1CCOC1=O HR137954 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.4 NC1CCOC1=O HR146738 [0,0,0,1,0,0|3,0,0]=4 321 B7R1.4 NC1CCSC1=O HR137672 [0,0,0,1,0,0|3,0,0]=4 322 B7R1.4 NN1CCCC1=O GASA04306 [0,0,0,1,0,0|2,0,0]=3 323 B7R1.4 NN1CCOC1=O HR146108 [0,0,0,1,0,0|3,0,0]=4 324 B7R1.4 O=C1CCC=C1O HR148600 [0,0,0,1,0,0|2,0,1]=4 325 B7R1.4 O=C1CCCC1Br HR121144 [0,0,0,1,0,0|2,0,0]=3 326 B7R1.4 O=C1CCCC1Cl HR112783 [0,0,0,1,0,0|2,0,0]=3 327 B7R1.4 O=C1NCCC1O HR102172 [0,0,0,1,0,0|3,0,0]=4 328 B7R1.4 O=C1NCCC1O HR113273 [0,0,0,1,0,0|3,0,0]=4 329 B7R1.4 O=C1NCCC1O HR113406 [0,0,0,1,0,0|3,0,0]=4 330 B7R1.4 O=C1NCCC1O HR147016 [0,0,0,1,0,0|3,0,0]=4 331 B7R1.4 O=C1OCCC1Br HR10714 [0,0,0,1,0,0|3,0,0]=4 332 B7R1.6 OCCC1COC1 HR102073 [0,0,0,1,0,0|0,1,2]=4 333 B7R1.7 C=CCCC1CO1 HR130217 [0,0,0,1,0,0|1,1,0]=3 334 B7R1.7 C=CCCC1CO1 HR141536 [0,0,0,1,0,0|1,1,0]=3 335 B7R1.24 C1CCCNCC1 HR146715 [0,0,0,1,0,0|2,0,1]=4 336 B7R1.24 C1CCOCOC1 HR105864 [0,0,0,1,0,0|0,1,2]=4 337 B7R1.24 C1CNCCNC1 HR122712 [0,0,0,1,0,0|3,0,0]=4 338 B7R1.24 C1CNCCOC1 HR100780 [0,0,0,1,0,0|2,1,0]=4 339 B7R1.24 C1CNCCOC1 HR146137 [0,0,0,1,0,0|2,1,0]=4 340 B4R0.2 BrCCCBr HR137338 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.2 C=CCCBr HR124734 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.2 C=CCCN HR116389 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 C=CCCO HR127635 [2,0,0,0,0,0|0,1,1]=4 344 B4R0.2 C=CCOC HR111200 [2,0,0,0,0,0|0,1,1]=4 345 B4R0.2 C=CCSC HR122911 [2,0,0,0,0,0|0,0,1]=3 346 B4R0.2 C=COCC CESA03009 [2,0,0,0,0,0|1,0,1]=4 347 B4R0.2 CCCCN HR105634 [2,0,0,0,0,0|1,0,0]=3 348 B4R0.2 CCCCO HR138784 [2,0,0,0,0,0|0,0,1]=3 349 B4R0.2 CCCC[O-] HR125276 [2,0,0,0,0,0|0,0,1]=3 350 B4R0.2 CCCC[Si] HR100255 [2,0,0,0,0,0|0,1,0]=3 351 B4R0.2 CCCNC HR109098 [2,0,0,0,0,0|1,0,0]=3 352 B4R0.2 CCCSC HR128481 [2,0,0,0,0,0|0,0,0]=2 353 B4R0.2 CCC[Mg]Br HR101998 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 CCC[Mg]Cl HR101421 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 CCNC=O HR104364 [2,0,0,0,0,0|1,0,0]=3 356 B4R0.2 CCNCC HR101857 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.2 CCNCC HR127000 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.2 CCNCC HR132573 [2,0,0,0,0,0|1,0,1]=4 359 B4R0.2 CCOC=N HR105865 [2,0,0,0,0,0|2,0,0]=4 360 B4R0.2 CCPCC HR117135 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.2 CCSCC HR120777 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.2 CCSCC HR127285 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.2 CCSSC HR129263 [2,0,0,0,0,0|1,0,0]=3 364 B4R0.2 CC\C=C\Br HR114361 [2,0,0,0,0,0|1,0,1]=4 365 B4R0.2 CNCCO HR131851 [2,0,0,0,0,0|1,0,1]=4 366 B4R0.2 COCCBr HR2138 [2,0,0,0,0,0|1,1,0]=4 367 B4R0.2 COCCCl HR130902 [2,0,0,0,0,0|1,1,0]=4 368 B4R0.2 COCCN HR101134 [2,0,0,0,0,0|1,1,0]=4 369 B4R0.2 CSCC=O HR129243 [2,0,0,0,0,0|0,0,0]=2 370 B4R0.2 CSCCN HR110636 [2,0,0,0,0,0|1,0,0]=3 371 B4R0.2 CSCCO HR125294 [2,0,0,0,0,0|0,0,1]=3 372 B4R0.2 CSCSC HR125290 [2,0,0,0,0,0|1,0,0]=3 373 B4R0.2 CSSSC HR136400 [2,0,0,0,0,0|2,0,0]=4 374 B4R0.2 C\C=C\CC HR121335 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.2 C\C=C\CC HR121956 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.2 FCCCBr HR109590 [2,0,0,0,0,0|2,0,0]=4 377 B4R0.2 ICCCI HR100197 [2,0,0,0,0,0|2,0,0]=4 378 B4R0.2 N#CCC=O HR116464 [2,0,0,0,0,0|1,0,1]=4 379 B4R0.2 N#CCCS HR113672 [2,0,0,0,0,0|1,0,1]=4 380 B4R0.2 NCCCBr CEJL02001 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.2 NCCCBr HR133137 [2,0,0,0,0,0|2,0,0]=4 382 B4R0.2 NCCCCl HR125166 [2,0,0,0,0,0|2,0,0]=4 383 B4R0.2 NCCCN HR147138 [2,0,0,0,0,0|2,0,0]=4 384 B4R0.2 NCCCO HR117078 [2,0,0,0,0,0|1,0,1]=4 385 B4R0.2 OCCCBr HR133755 [2,0,0,0,0,0|1,0,1]=4 386 B4R0.2 OCCCCl HR147346 [2,0,0,0,0,0|1,0,1]=4 387 B4R0.2 OCCCF HR128996 [2,0,0,0,0,0|1,0,1]=4 388 B4R0.2 OCCCI HR117054 [2,0,0,0,0,0|1,0,1]=4 389 B4R0.2 OCCCO HR129726 [2,0,0,0,0,0|0,1,1]=4 390 B4R0.2 OCCCS HR131625 [2,0,0,0,0,0|0,0,1]=3 391 B4R0.2 SCCCBr HR118175 [2,0,0,0,0,0|1,0,0]=3 392 B4R0.2 SCCCS HR124438 [2,0,0,0,0,0|0,1,0]=3 393 B4R0.2 [Li]CCCC HR138942 [2,0,0,0,0,0|1,0,0]=3 394 B6R0.1 C=CC(=O)CCC HR100488 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.1 C=CC(O)CCC HR128085 [1,1,0,0,0,0|1,0,0]=3 396 B6R0.1 CCC(=O)CSC HR123442 [1,1,0,0,0,0|0,0,2]=4 397 B6R0.1 CCC(C)CCO HR120273 [1,1,0,0,0,0|0,0,2]=4 398 B6R0.1 CCCC(=O)SC HR136352 [1,1,0,0,0,0|0,0,2]=4 399 B6R0.1 CCCC(Br)CBr HR132339 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.1 CCCC(Br)CC HR118696 [1,1,0,0,0,0|1,0,1]=4 401 B6R0.1 CCCC(N)CO HR112281 [1,1,0,0,0,0|0,0,2]=4 402 B6R0.1 CCCC(O)CO HR126914 [1,1,0,0,0,0|0,0,2]=4 403 B6R0.1 CCOC(=O)C=O HR130872 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.1 CNCC(O)CO HR129465 [1,1,0,0,0,0|1,0,1]=4 405 B6R0.1 COC(C)CCO HR100431 [1,1,0,0,0,0|0,1,1]=4 406 B6R0.1 COCC(O)CO HR137691 [1,1,0,0,0,0|0,1,1]=4 407 B6R0.1 CSC(C)CC=O HR133413 [1,1,0,0,0,0|0,0,0]=2 408 B6R0.4 C#CCCC(=O)O HR101408 [1,1,0,0,0,0|0,0,2]=4 409 B6R0.4 C=C(C)CNCC HR128262 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.4 C=CCCC(=O)Cl HR106043 [1,1,0,0,0,0|0,0,2]=4 411 B6R0.4 C=CCCC(=O)O HR128583 [1,1,0,0,0,0|0,0,2]=4 412 B6R0.4 CC(=O)CCCBr HR147487 [1,1,0,0,0,0|1,0,0]=3 413 B6R0.4 CC(=O)CCCCl HR100024 [1,1,0,0,0,0|1,0,0]=3 414 B6R0.4 CC(=O)CCCO HR136959 [1,1,0,0,0,0|0,1,0]=3 415 B6R0.4 CC(=O)NCCN HR128075 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.4 CC(=O)NCCO HR100613 [1,1,0,0,0,0|1,1,0]=4 417 B6R0.4 CC(=O)OCCBr HR131354 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.4 CC(Br)CCCBr HR123815 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.4 CC(C)CCC=O HR118427 [1,1,0,0,0,0|0,0,0]=2 420 B6R0.4 CC(C)CCCBr HR133659 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.4 CC(O)CCCO HR139458 [1,1,0,0,0,0|0,0,2]=4 422 B6R0.4 CCCCB(O)O HR137738 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.4 CCCCC(=O)Cl HR147689 [1,1,0,0,0,0|0,0,0]=2 424 B6R0.4 CCCCC(=O)[O-] HR143929 [1,1,0,0,0,0|0,0,0]=2 425 B6R0.4 CCCCC(C)N HR107080 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.4 CCCCC(C)O HR113264 [1,1,0,0,0,0|0,0,2]=4 427 B6R0.4 CCCCC(C)O HR141634 [1,1,0,0,0,0|0,0,2]=4 428 B6R0.4 CCCCC(N)=O HR110039 [1,1,0,0,0,0|0,0,0]=2 429 B6R0.4 CCCCN(C)C HR124181 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.4 CCCC[Sn](=O)O HR135371 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.4 CCCNC(N)=S HR109524 [1,1,0,0,0,0|1,1,0]=4 432 B6R0.4 CCCSC(C)=O HR137881 [1,1,0,0,0,0|1,0,0]=3 433 B6R0.4 CCNCC(=O)O HR105131 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.4 CCOCC(=O)O HR123178 [1,1,0,0,0,0|1,0,0]=3 435 B6R0.4 CN(C)CCCBr HR107607 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.4 CN(C)CCCBr HR147342 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.4 CN(C)CCCCl HR109407 [1,1,0,0,0,0|2,0,0]=4 438 B6R0.4 CN(C)CCCCl HR137097 [1,1,0,0,0,0|2,0,0]=4 439 B6R0.4 CN(C)CCCS HR107362 [1,1,0,0,0,0|1,1,0]=4 440 B6R0.4 CNCCC(=O)O HR100194 [1,1,0,0,0,0|1,0,0]=3 441 B6R0.4 COCCC(C)O HR129774 [1,1,0,0,0,0|0,1,1]=4 442 B6R0.4 COCCC(O)Br HR10478 [1,1,0,0,0,0|0,1,1]=4 443 B6R0.4 CSCCC(C)=O HR133952 [1,1,0,0,0,0|0,0,0]=2 444 B6R0.4 N#CCCC(=O)O HR103469 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.4 NCCCC(=O)O HR130958 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.4 O=C(Cl)CCCBr HR102428 [1,1,0,0,0,0|1,0,0]=3 447 B6R0.4 O=C(Cl)CCCCl HR129406 [1,1,0,0,0,0|1,0,0]=3 448 B6R0.4 O=C(Cl)OCCCl HR132842 [1,1,0,0,0,0|2,0,0]=4 449 B6R0.4 O=C(Cl)OCCCl HR17418 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.4 O=C(O)CCCBr HR131673 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.4 O=C(O)CCCCl HR120152 [1,1,0,0,0,0|1,0,0]=3 452 B6R0.4 O=CCCC(=O)O HR134907 [1,1,0,0,0,0|0,1,1]=4 453 B6R0.4 O=CCC[N+](=O)[O-] HR114611 [1,1,0,0,0,0|1,1,0]=4 454 B8R0.4 C=CCCCCCCBr HR134817 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.4 CCCCCCCC=O HR138555 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.4 CCCCCCN=C=O HR113788 [0,2,0,0,0,0|1,0,1]=4 457 B8R0.4 CCCCC\C=C\C=O HR133342 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.4 CC\C=C\CCOC=O HR127818 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.6 C=CC(=O)CCCCC HR128010 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.6 C=CC(=O)OCCOC HR136408 [0,2,0,0,0,0|1,1,0]=4 461 B8R0.6 C=CC(O)CCCCC HR133074 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.6 CCCCCC(=O)CI HR120235 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.6 CCCCCC(=O)SC HR105293 [0,2,0,0,0,0|1,0,0]=3 464 B8R0.6 CCCCNC(=O)CCl HR147680 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.6 CCCCOC(=O)CO HR135884 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.6 CCCCOC(=O)CS HR123589 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.6 COC(=O)CCCCBr HR132792 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.6 COC(=O)CCCCCl HR117426 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.6 COCCCC(=O)OC HR115734 [0,2,0,0,0,0|0,1,0]=3 470 B8R0.7 C#CCCCCC(=O)O HR102532 [0,2,0,0,0,0|1,0,1]=4 471 B8R0.7 C=CCCCOC(C)=O HR143247 [0,2,0,0,0,0|1,0,1]=4 472 B8R0.7 CC(=O)NCCCCN HR118654 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.7 CC(=O)OCCCCBr HR131090 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.7 CC(=O)OCCCCCl HR122635 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.7 CCCCCCC(=O)Cl HR135566 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.7 CCCCCCC(=O)[O-] HR123614 [0,2,0,0,0,0|1,0,0]=3 477 B8R0.7 CCCCCCC(C)=O HR138624 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.7 CCCCCOC(=O)Cl HR137197 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.7 CCCCOCC(=O)O HR124559 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.7 CCOCCOC(=O)Cl HR139845 [0,2,0,0,0,0|1,1,0]=4 481 B8R0.7 COCCOCC(=O)O HR131950 [0,2,0,0,0,0|0,1,0]=3 482 B8R0.7 CSCCCOC(C)=O HR130302 [0,2,0,0,0,0|0,0,0]=2 483 B8R0.7 NCCCCCC(=O)O HR123389 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.7 NCCCCCC(=O)O HR140316 [0,2,0,0,0,0|1,0,0]=3 485 B8R0.7 O=C(Cl)CCCCCBr HR130949 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.7 O=C(Cl)CCCCCCl HR101723 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.7 O=C(O)CCCCCBr HR131936 [0,2,0,0,0,0|1,0,0]=3 488 B8R0.7 O=C(O)CCCCCCl HR131336 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.3 O=CCC(O)C(O)CO HR131624 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.3 O=CCC(O)C(O)CO HR134366 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.8 CCCCC(=O)C(C)=O HR133012 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.8 CCCCC(Br)C(=O)O HR127260 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.8 CCCCC(C)C(=O)O HR121647 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.8 CCCCC(N)C(=O)O HR133839 [0,2,0,0,0,0|1,0,0]=3 495 B8R0.8 CCCCC(N)C(=O)O HR134634 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.8 CCCCC(N)C(=O)O HR134894 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.8 CSCCC(N)C(=O)O HR100026 [0,2,0,0,0,0|0,0,0]=2 498 B8R0.8 CSCCC(N)C(=O)O HR123144 [0,2,0,0,0,0|0,0,0]=2 499 B8R0.8 CSCCC(N)C(=O)O HR123406 [0,2,0,0,0,0|0,0,0]=2 500 B8R0.8 CSCCC(N)C(=O)O HR132929 [0,2,0,0,0,0|0,0,0]=2 501 B8R0.8 CSCCC(N)C(=O)O HR137287 [0,2,0,0,0,0|0,0,0]=2 502 B8R0.8 CSCCC(N)C(N)=O HR114117 [0,2,0,0,0,0|0,0,0]=2 503 B8R0.8 CSCCC(N)C(O)=[Se] HR126623 [0,2,0,0,0,0|0,0,1]=3 504 B8R0.8 CSCCC(N)[13C](=O)O HR140512 [0,2,0,0,0,0|0,0,0]=2 505 B8R0.8 CSCCC(O)C(=O)O HR136742 [0,2,0,0,0,0|0,0,0]=2 506 B8R0.8 CSCCC(O)C(=O)[O-] HR118219 [0,2,0,0,0,0|0,0,0]=2 507 B8R0.8 C[35S]CCC(N)C(=O)O HR143199 [0,2,0,0,0,0|0,0,0]=2 508 B8R0.8 C[Se]CCC(N)C(=O)O HR129810 [0,2,0,0,0,0|0,1,0]=3 509 B8R0.8 NC(CCCO)C(=O)O HR114281 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.8 NCCCC(N)C(=O)O HR123396 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.8 NCCCC(N)C(=O)O HR123926 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.8 NCCCC(N)C(=O)O HR124308 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.8 NCCCC(N)C(=O)O HR135672 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.8 NCCCC(N)C(=O)O HR142321 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.8 NCCCC(N)C(=O)O HR143440 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.8 NCCCC(N)C(=O)O ORJL01301 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.9 C=CC(N)CCC(=O)O HR134815 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.9 CCC(=O)CCC(C)=O HR121178 [0,2,0,0,0,0|1,0,1]=4 519 B8R0.9 CCC(C)COC(=O)Cl HR143745 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.9 CCC(C)COC(C)=O HR104042 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.9 CCC(C)COC(C)=O HR112686 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.9 COC(=O)CCC(=O)Cl HR123462 [0,2,0,0,0,0|0,1,1]=4 523 B8R0.9 COC(=O)CCC(=O)[O-] HR138200 [0,2,0,0,0,0|0,1,1]=4 524 B8R0.9 COC(C)COC(C)=O HR143173 [0,2,0,0,0,0|1,1,0]=4 525 B8R0.5 C#CCC(N)CC(=O)O HR107806 [0,2,0,0,0,0|1,0,1]=4 526 B8R0.5 C#CCC(N)CC(=O)O HR108120 [0,2,0,0,0,0|1,0,1]=4 527 B8R0.5 COCC(=O)CC(C)=O HR134533 [0,2,0,0,0,0|0,1,1]=4 528 B8R0.5 COCC(C)OC(C)=O HR138591 [0,2,0,0,0,0|1,1,0]=4 529 B8R0.21 CCCCCS(=O)(=O)Cl HR110757 [0,2,0,0,0,0|2,0,0]=4 530 B8R0.21 CCCCCS(=O)(=O)[O-] HR127418 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.21 CCCCCS(=O)(=O)[O-] HR134915 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.28 CC(=O)CCCC(C)C HR145408 [0,2,0,0,0,0|1,0,0]=3 534 B8R0.28 CC(C)CCOC(=O)Cl HR143844 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,2,0,0,0,0|1,0,0]=3 536 B8R0.28 O=C(Cl)CCCC(=O)Cl HR142561 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.28 O=C(O)CCCC(=O)O HR132258 [0,2,0,0,0,0|2,0,0]=4 538 B8R0.28 O=C([O-])CCCC(=O)[O-] HR145446 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.22 CCCC(CC=O)SC HR125808 [0,2,0,0,0,0|1,0,0]=3 540 B6R1.1 C1=COCCC1 HR126451 [1,0,0,1,0,0|0,0,2]=4 541 B6R1.1 C1CCCCC1 HR106893 [1,0,0,1,0,0|1,0,1]=4 542 B6R1.1 C1CCCCC1 HR147601 [1,0,0,1,0,0|1,0,1]=4 543 B6R1.1 C1CCNCC1 ARJL02201 [1,0,0,1,0,0|1,0,1]=4 544 B6R1.1 C1CCNCC1 HR101018 [1,0,0,1,0,0|1,0,1]=4 545 B6R1.1 C1CCNCC1 HR131157 [1,0,0,1,0,0|1,0,1]=4 546 B6R1.1 C1CCNCC1 HR132491 [1,0,0,1,0,0|1,0,1]=4 547 B6R1.1 C1CCNCC1 HR149186 [1,0,0,1,0,0|1,0,1]=4 548 B6R1.1 C1CCNNC1 HR103533 [1,0,0,1,0,0|2,0,0]=4 549 B6R1.1 C1CCNNC1 HR104595 [1,0,0,1,0,0|2,0,0]=4 550 B6R1.1 C1CCSCC1 HR125674 [1,0,0,1,0,0|0,0,1]=3 551 B6R1.1 C1CC[NH2+]CC1 HR106637 [1,0,0,1,0,0|1,0,1]=4 552 B6R1.1 C1CSCCN1 HR108045 [1,0,0,1,0,0|1,0,1]=4 553 B6R1.1 C1CSCCN1 HR15746 [1,0,0,1,0,0|1,0,1]=4 554 B6R1.1 C1CSCCS1 HR108155 [1,0,0,1,0,0|1,0,1]=4 555 B6R1.1 C1CSCSC1 HR147048 [1,0,0,1,0,0|0,1,0]=3 556 B6R1.1 C1SCSCS1 HR132638 [1,0,0,1,0,0|1,1,0]=4 557 B6R1.2 BrC1CCCC1 HR146931 [1,0,0,1,0,0|1,0,1]=4 558 B6R1.2 BrC1CCOC1 HR32206 [1,0,0,1,0,0|1,1,0]=4 559 B6R1.2 CC1=NCCC1 HR128050 [1,0,0,1,0,0|2,0,0]=4 560 B6R1.2 CC1=NCCS1 HR124488 [1,0,0,1,0,0|2,0,0]=4 561 B6R1.2 CC1CCCN1 HR11117 [1,0,0,1,0,0|1,0,1]=4 562 B6R1.2 CC1CCCN1 HR136768 [1,0,0,1,0,0|1,0,1]=4 563 B6R1.2 CC1CCCN1 HR137719 [1,0,0,1,0,0|1,0,1]=4 564 B6R1.2 CC1CCCN1 HR137972 [1,0,0,1,0,0|1,0,1]=4 565 B6R1.2 CC1CCCN1 HR138237 [1,0,0,1,0,0|1,0,1]=4 566 B6R1.2 CC1CCCO1 HR10841 [1,0,0,1,0,0|0,0,2]=4 567 B6R1.2 CC1CCNC1 HR117788 [1,0,0,1,0,0|1,0,1]=4 568 B6R1.2 CC1CCNC1 HR121513 [1,0,0,1,0,0|1,0,1]=4 569 B6R1.2 CC1CCNC1 HR142801 [1,0,0,1,0,0|1,0,1]=4 570 B6R1.2 CC1CCNC1 HR142900 [1,0,0,1,0,0|1,0,1]=4 571 B6R1.2 CC1CCNC1 HR143674 [1,0,0,1,0,0|1,0,1]=4 572 B6R1.2 CC1CCOC1 HR144126 [1,0,0,1,0,0|0,1,1]=4 573 B6R1.2 CC1CCSC1 HR124140 [1,0,0,1,0,0|0,0,1]=3 574 B6R1.2 CN1CCCC1 HR130486 [1,0,0,1,0,0|1,0,1]=4 575 B6R1.2 ClC1=CCCC1 HR140861 [1,0,0,1,0,0|1,0,1]=4 576 B6R1.2 ClC1CCCC1 HR100908 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.2 ClC1CCOC1 HR146389 [1,0,0,1,0,0|1,1,0]=4 578 B6R1.2 FC1CCNC1 HR108608 [1,0,0,1,0,0|2,0,0]=4 579 B6R1.2 FC1CCNC1 HR111906 [1,0,0,1,0,0|2,0,0]=4 580 B6R1.2 FC1CCNC1 HR113706 [1,0,0,1,0,0|2,0,0]=4 581 B6R1.2 FC1CCNC1 HR148267 [1,0,0,1,0,0|2,0,0]=4 582 B6R1.2 IC1CCOC1 HR121544 [1,0,0,1,0,0|1,1,0]=4 583 B6R1.2 NC1=NCCC1 HR112379 [1,0,0,1,0,0|2,0,0]=4 584 B6R1.2 NC1=NCCC1 HR112697 [1,0,0,1,0,0|2,0,0]=4 585 B6R1.2 NC1=NCCS1 HR138483 [1,0,0,1,0,0|2,0,0]=4 586 B6R1.2 NC1CCCC1 TRXM00901 [1,0,0,1,0,0|1,0,1]=4 587 B6R1.2 NC1CCNC1 HR122368 [1,0,0,1,0,0|2,0,0]=4 588 B6R1.2 NC1CCNC1 HR122634 [1,0,0,1,0,0|2,0,0]=4 589 B6R1.2 NC1CCNC1 HR123574 [1,0,0,1,0,0|2,0,0]=4 590 B6R1.2 NC1CCNC1 HR123838 [1,0,0,1,0,0|2,0,0]=4 591 B6R1.2 NC1CCNC1 HR136682 [1,0,0,1,0,0|2,0,0]=4 592 B6R1.2 NC1CCNC1 HR136939 [1,0,0,1,0,0|2,0,0]=4 593 B6R1.2 NC1CCOC1 HR110868 [1,0,0,1,0,0|1,1,0]=4 594 B6R1.2 NC1CCOC1 HR119912 [1,0,0,1,0,0|1,1,0]=4 595 B6R1.2 NC1CCOC1 HR145986 [1,0,0,1,0,0|1,1,0]=4 596 B6R1.2 NC1CCOC1 HR15126 [1,0,0,1,0,0|1,1,0]=4 597 B6R1.2 NC1CCOC1 HR15496 [1,0,0,1,0,0|1,1,0]=4 598 B6R1.2 NC1CCOC1 HR33445 [1,0,0,1,0,0|1,1,0]=4 599 B6R1.2 NC1CCOC1 HR33446 [1,0,0,1,0,0|1,1,0]=4 600 B6R1.2 NN1CCCC1 HR127037 [1,0,0,1,0,0|2,0,0]=4 601 B6R1.2 NN1CCCC1 HR4032 [1,0,0,1,0,0|2,0,0]=4 602 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,1,0,0|0,0,2]=4 603 B6R1.2 O=C1CC=CC1 HR111189 [1,0,0,1,0,0|0,0,2]=4 604 B6R1.2 O=C1CCCC1 HR147576 [1,0,0,1,0,0|0,0,0]=2 605 B6R1.2 O=C1CCCN1 HR144424 [1,0,0,1,0,0|1,0,0]=3 606 B6R1.2 O=C1CCCN1 HR147307 [1,0,0,1,0,0|1,0,0]=3 607 B6R1.2 O=C1CCNC1 HR126926 [1,0,0,1,0,0|1,0,0]=3 608 B6R1.2 O=C1CCNC1 HR127189 [1,0,0,1,0,0|1,0,0]=3 609 B6R1.2 O=C1CCNN1 HR146471 [1,0,0,1,0,0|2,0,0]=4 610 B6R1.2 O=C1CCOC1 HR109194 [1,0,0,1,0,0|0,1,0]=3 611 B6R1.2 O=C1CCSC1 HR5575 [1,0,0,1,0,0|0,0,0]=2 612 B6R1.2 O=C1CNCN1 HR114619 [1,0,0,1,0,0|2,0,0]=4 613 B6R1.2 O=C1NCCN1 HR124833 [1,0,0,1,0,0|2,0,0]=4 614 B6R1.2 O=C1NCCN1 HR138382 [1,0,0,1,0,0|2,0,0]=4 615 B6R1.2 O=C1NCCO1 HR134554 [1,0,0,1,0,0|1,1,0]=4 616 B6R1.2 O=C1NCCS1 HR14582 [1,0,0,1,0,0|1,0,0]=3 617 B6R1.2 O=C1OCCO1 APSA06102 [1,0,0,1,0,0|1,1,0]=4 618 B6R1.2 OC1CCNC1 HR122348 [1,0,0,1,0,0|1,0,1]=4 619 B6R1.2 OC1CCNC1 HR128986 [1,0,0,1,0,0|1,0,1]=4 620 B6R1.2 OC1CCNC1 HR135087 [1,0,0,1,0,0|1,0,1]=4 621 B6R1.2 OC1CCNC1 HR137212 [1,0,0,1,0,0|1,0,1]=4 622 B6R1.2 OC1CCNC1 HR137477 [1,0,0,1,0,0|1,0,1]=4 623 B6R1.2 OC1CCNC1 HR138968 [1,0,0,1,0,0|1,0,1]=4 624 B6R1.2 OC1CCOC1 HR133245 [1,0,0,1,0,0|0,1,1]=4 625 B6R1.2 OC1CCOC1 HR137216 [1,0,0,1,0,0|0,1,1]=4 626 B6R1.2 OC1CCOC1 HR16209 [1,0,0,1,0,0|0,1,1]=4 627 B6R1.2 OC1CCOC1 HR7071 [1,0,0,1,0,0|0,1,1]=4 628 B6R1.2 OC1CCSC1 HR122102 [1,0,0,1,0,0|0,0,1]=3 629 B6R1.2 SC1=NCCS1 HR136402 [1,0,0,1,0,0|1,1,0]=4 630 B6R1.2 SC1CCCC1 HR134369 [1,0,0,1,0,0|0,1,1]=4 631 B6R1.3 BrCCC1CO1 HR120624 [1,0,0,1,0,0|1,1,0]=4 632 B6R1.3 CCCC1CO1 HR102110 [1,0,0,1,0,0|0,0,2]=4 633 B6R1.3 COCC1CO1 HR136178 [1,0,0,1,0,0|0,1,1]=4 634 B6R1.3 COCC1CO1 HR5856 [1,0,0,1,0,0|0,1,1]=4 635 B6R1.3 N#CCC1CC1 HR136488 [1,0,0,1,0,0|1,0,1]=4 636 B6R1.3 NOCC1CC1 HR137251 [1,0,0,1,0,0|2,0,0]=4 637 B6R1.3 O=C=NC1CC1 HR109751 [1,0,0,1,0,0|1,0,1]=4 638 B6R1.3 O=CCC1CC1 HR139135 [1,0,0,1,0,0|0,0,0]=2 639 B6R1.3 OCCC1CC1 HR144840 [1,0,0,1,0,0|0,0,2]=4 640 B6R1.6 BrCC1CCC1 HR23272 [1,0,0,1,0,0|1,0,1]=4 641 B6R1.6 ICC1CCC1 HR122084 [1,0,0,1,0,0|1,0,1]=4 642 B6R1.6 ICC1COC1 HR146347 [1,0,0,1,0,0|1,1,0]=4 643 B6R1.6 N#CC1CCC1 HR112436 [1,0,0,1,0,0|1,0,1]=4 644 B6R1.6 NCC1CCC1 HR100695 [1,0,0,1,0,0|1,0,1]=4 645 B6R1.6 NCC1CCC1 HR102822 [1,0,0,1,0,0|1,0,1]=4 646 B6R1.6 NCC1CNC1 HR148283 [1,0,0,1,0,0|2,0,0]=4 647 B6R1.6 NCC1COC1 HR111829 [1,0,0,1,0,0|1,1,0]=4 648 B6R1.6 NNC1CCC1 HR103247 [1,0,0,1,0,0|2,0,0]=4 649 B6R1.6 NNC1CCC1 HR146851 [1,0,0,1,0,0|2,0,0]=4 650 B6R1.6 O=CC1CCC1 HR128795 [1,0,0,1,0,0|0,0,0]=2 651 B6R1.6 OCC1CCC1 HR133510 [1,0,0,1,0,0|0,0,2]=4 652 B6R1.6 OCC1CNC1 HR118895 [1,0,0,1,0,0|1,0,1]=4 653 B6R1.6 OCC1COC1 HR110451 [1,0,0,1,0,0|0,1,1]=4 654 B8R1.2 C=CC1CCCCC1 HR131133 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.2 C=CC1CNCCO1 HR146087 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.2 C=CC1COCCN1 HR146088 [0,1,0,1,0,0|1,1,0]=4 657 B8R1.2 CCC1CC=CCC1 HR100312 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.2 COC1CCC=CO1 HR133471 [0,1,0,1,0,0|0,1,1]=4 659 B8R1.2 O=CC1=CCCCC1 HR124654 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.2 O=CC1=CCCOC1 HR106218 [0,1,0,1,0,0|0,1,1]=4 661 B8R1.2 O=CC1CCCCC1 HR3082 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.2 O=CC1CCCOC1 HR31996 [0,1,0,1,0,0|0,1,0]=3 663 B8R1.2 O=CC1CCNCC1 HR114883 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.2 O=CC1CCOCC1 IBCQ00409 [0,1,0,1,0,0|0,1,0]=3 665 B8R1.2 O=CC1CNCCN1 HR112721 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.2 O=CN1CCCCC1 HR135142 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.2 O=CN1CCNCC1 HR106743 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.2 O=CN1CCOCC1 HR124705 [0,1,0,1,0,0|1,1,0]=4 669 B8R1.2 ON=C1CCCCC1 HR136101 [0,1,0,1,0,0|1,0,1]=4 670 B8R1.5 CC1=NCCCN1C HR14029 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.5 CC1CCCCC1=O HR128184 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.5 CC1CNCCC1=O HR102395 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.5 CC1CNCCC1=O HR144741 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.5 CC1COCCC1=O HR108661 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.5 CC1NCCNC1=O HR149053 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.5 CC1OCCNC1=O HR148881 [0,1,0,1,0,0|1,1,0]=4 677 B8R1.5 CN1CCNCC1=O HR121878 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.5 NC1CCCNC1=O HR103141 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.5 NC1CCCNC1=O HR109690 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.5 NC1CCCNC1=O HR143772 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.5 NN1CCCCC1=O HR128047 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.5 O=C1CCCCC1=O HR133849 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.5 O=C1CCCCC1Br HR121776 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.5 O=C1CCCCC1Cl HR133138 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.5 O=C1CCCCC1F HR150360 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.5 O=C1CCNCC1Br HR118186 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.5 O=C1CCNCC1F HR115169 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.5 O=C1CCNCC1F HR149775 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.5 O=C1CCOCC1F HR150373 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.5 O=C1NCCCC1F HR149509 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.5 O=C1NCCCC1O HR147038 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.8 O=C=NC1CCCC1 HR120079 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.11 C=CN1CCCC1=O HR130278 [0,1,0,1,0,0|1,0,1]=4 694 B8R1.11 C=CN1CCCC1=O HR131788 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.11 CCN1CCCC1=O HR134739 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.11 N#CC1CCCC1=O HR126764 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.11 N#CC1CSCC1=O HR107418 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.22 NC1CC=CCCC1 HR120578 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.22 O=C1C=CCCCC1 HR146270 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.22 O=C1CCCCCN1 HR129512 [0,1,0,1,0,0|1,0,0]=3 701 B8R1.22 O=C1CCCCCO1 HR107144 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.22 O=C1CCCCCO1 HR120205 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.22 O=C1CCCNCC1 HR107777 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.22 O=C1CCCNCC1 HR136701 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.22 O=C1CCNCCN1 HR101958 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.22 O=C1CCNCCN1 HR113359 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.1 C=CC1CCC(=O)N1 HR117010 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.1 C=CC1CCC(=O)O1 HR127408 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.1 CCN1CCC(=O)C1 HR113880 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.3 CC1CCC(=O)CC1 HR123899 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.3 CC1CNC(=O)CO1 HR148882 [0,1,0,1,0,0|1,1,0]=4 721 B8R1.3 CN1CCC(=O)CC1 HR128468 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.3 NC1CCC(=O)CC1 HR108450 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.3 NC1CCC(=O)NC1 HR114241 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.3 O=C1CCC(=O)CC1 HR123033 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.3 O=C1CCC(=O)NC1 HR110594 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.3 O=C1CCC(O)CC1 HR132671 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.3 O=C1CCC(O)CN1 HR104378 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.50 CC1C(=O)CCC1=O HR137820 [0,1,0,1,0,0|1,0,1]=4 729 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.50 CC1CCC(=O)N1C HR142184 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.50 CN1C(=O)CCC1=O HR140375 [0,1,0,1,0,0|1,0,1]=4 732 B8R1.50 CN1CCN(C)C1=O HR7604 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,1,0,1,0,0|2,0,0]=4 736 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.4 O=C1CC(O)CCN1 HR110819 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.4 O=C1CCCC(=O)N1 HR139848 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.4 O=C1COCC(=O)C1 HR103955 [0,1,0,1,0,0|0,1,1]=4 748 B8R1.4 O=C1CSCC(=O)O1 HR100358 [0,1,0,1,0,0|1,0,1]=4 749 B8R1.7 CC(=O)C1CCCC1 HR120520 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.7 NC(=O)C1CCCN1 HR112229 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.7 NC(=O)C1CCCN1 HR120776 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.7 NC(=O)C1CCCN1 HR125014 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.7 NC(=O)C1CCCN1 HR125279 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.7 NC(=O)C1CCCN1 HR133421 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.7 NC(=O)C1CCCN1 HR145038 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.7 NC(=O)C1CCNC1 HR105323 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.7 O=C(Cl)C1CCCC1 HR129546 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.7 O=C(Cl)N1CCCC1 HR142080 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.7 O=C(O)C1CC=CC1 HR137833 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.7 O=C(O)C1CCCC1 HR124454 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.7 O=C(O)C1CCCN1 HR122958 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.7 O=C(O)C1CCCN1 HR136921 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.7 O=C(O)C1CCCN1 HR142963 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.7 O=C(O)C1CCCN1 SASA03107 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.7 O=C(O)C1CCCO1 HR129714 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.7 O=C(O)C1CCCO1 HR135878 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.7 O=C(O)C1CCCO1 HR136153 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.7 O=C(O)C1CCNC1 HR110045 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.7 O=C(O)C1CCNC1 HR124075 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.7 O=C(O)C1CCNC1 HR139411 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.7 O=C(O)C1CCNC1 HR16223 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.7 O=C(O)C1CCOC1 HR109306 [0,1,0,1,0,0|0,1,0]=3 773 B8R1.7 O=C(O)C1CCOC1 HR110235 [0,1,0,1,0,0|0,1,0]=3 774 B8R1.7 O=C(O)C1CCOC1 HR111915 [0,1,0,1,0,0|0,1,0]=3 775 B8R1.7 O=C(O)C1CSCN1 HR136394 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.7 O=C(O)C1CSCN1 HR137574 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.19 CC1(C)CCCC1=O HR113458 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.34 O=C(O)CC1CCC1 HR133624 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.34 O=C(O)CC1COC1 HR145748 [0,1,0,1,0,0|0,1,0]=3 780 B8R1.35 O=C(O)CCC1CC1 HR105458 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.18 CC1CC(=O)N(C)C1 HR102594 [0,1,0,1,0,0|1,0,0]=3 782 B8R2.34 C1=CC2CC1CN2 HR146010 [0,0,0,2,0,0|2,0,0]=4 783 B8R2.34 C1=CC2CCC1C2 HR140035 [0,0,0,2,0,0|2,0,0]=4