0 B6R0.6 BrCCCCCBr BEJL02301 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 BrCCNCCBr HR147578 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 BrCCOCCBr HR134391 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCCCCO HR141440 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.6 C#CCOCCO HR123920 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 C#CCOCCO HR132999 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.6 C=CCCCCO HR120838 [0,0,0,0,0,0|0,0,4]=4 7 B6R0.6 C=CCOCCO HR133981 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.6 C=CCSCCC HR130566 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C=CCSSCC HR131362 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CCCC#CCO HR100925 [0,0,0,0,0,0|0,0,3]=3 11 B6R0.6 CCCCCCI HR101787 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.6 CCCCCCO HR108609 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.6 CCCCCCO HR127298 [0,0,0,0,0,0|0,0,2]=2 14 B6R0.6 CCCCCC[SiH3] HR107072 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.6 CCCCCNC HR128731 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 CCCCC[Mg]Br HR116206 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 CCCCC[Mg]Cl HR115571 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 CCCCNCC HR125662 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 CCCCOCCl HR132357 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 CCCC[Mg]CC HR115887 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 CCCOCCCl HR126380 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 CCCOCCO HR123698 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.6 CCCSSCC HR130845 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.6 CCCSSSC HR130630 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.6 CCC\C=C\C=O HR127670 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 CCC\C=C\CO HR127397 [0,0,0,0,0,0|0,0,2]=2 27 B6R0.6 CCNCCCN HR100502 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.6 CCOCCC#N HR132950 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.6 CCOCCCCl HR124824 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.6 CCOCCCN HR100101 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.6 CCOCCCO HR128209 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.6 CCOCOCC HR147607 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.6 CCO[Mg]OCC HR128992 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.6 CCO[SiH2]OCC HR117502 [0,0,0,0,0,0|3,1,0]=4 35 B6R0.6 CCO\C=C\C#N HR109030 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.6 CC\C=C\CCO HR100849 [0,0,0,0,0,0|0,0,0]=0 37 B6R0.6 CC\C=C\CCO HR130305 [0,0,0,0,0,0|0,0,0]=0 38 B6R0.6 COCCCCBr HR131929 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.6 COCCCCCl HR130420 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.6 COCCCCN HR141637 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.6 COCCCCO HR129257 [0,0,0,0,0,0|1,0,2]=3 42 B6R0.6 C\C=C\C=C\C=O HR122495 [0,0,0,0,0,0|0,0,4]=4 43 B6R0.6 C\C=C\C=C\CO HR126927 [0,0,0,0,0,0|0,0,2]=2 44 B6R0.6 C\C=C\CCCC HR145495 [0,0,0,0,0,0|1,0,2]=3 45 B6R0.6 C\C=C\CCCO HR110400 [0,0,0,0,0,0|0,0,2]=2 46 B6R0.6 C\C=C\CCCO HR111291 [0,0,0,0,0,0|0,0,2]=2 47 B6R0.6 ClCCCCCBr HR125269 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.6 ClCCNCCCl HR127646 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.6 FCCCCCBr HR120213 [0,0,0,0,0,0|2,0,2]=4 50 B6R0.6 NCCCCCN HR146969 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.6 NCCCCCO HR139094 [0,0,0,0,0,0|1,0,2]=3 52 B6R0.6 NCCNCCO HR129715 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.6 NCCOCCN HR105600 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.6 NCCSCCO HR131001 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.6 O=CCCCCO HR116282 [0,0,0,0,0,0|1,0,3]=4 56 B6R0.6 O=CCOCCO HR117228 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.6 OCCCCCBr HR102868 [0,0,0,0,0,0|1,0,2]=3 58 B6R0.6 OCCCCCCl HR134047 [0,0,0,0,0,0|1,0,2]=3 59 B6R0.6 OCCCCCO HR136505 [0,0,0,0,0,0|1,0,2]=3 60 B6R0.6 OCCOCCCl HR126550 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.6 OCCOCCO HR128647 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.6 OCCSCCO HR124597 [0,0,0,0,0,0|2,0,1]=3 63 B6R0.6 SCCCCCS HR128025 [0,0,0,0,0,0|1,1,2]=4 64 B6R0.6 SCCSCCS HR130413 [0,0,0,0,0,0|2,1,1]=4 65 B6R0.6 [Li]CCCCCC HR142102 [0,0,0,0,0,0|1,0,2]=3 66 B5R0.2 BrCCCCBr HR135783 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 BrC\C=C\CBr HR122767 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.2 C#CCCCO VIJL03307 [1,0,0,0,0,0|0,0,3]=4 69 B5R0.2 C#C\C=C\CO HR117798 [1,0,0,0,0,0|0,0,2]=3 70 B5R0.2 C=CCCCBr HR138516 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.2 C=CCCCN HR114551 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.2 C=CCCCO HR127694 [1,0,0,0,0,0|0,0,2]=3 73 B5R0.2 C=COCCC HR122922 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 C=COCCO HR122391 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.2 CCC#CCO HR139189 [1,0,0,0,0,0|0,0,2]=3 76 B5R0.2 CCCCSC HR128739 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.2 CCCC[Mg]Cl HR114410 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 CCCNCC HR129859 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.2 CCCSCC HR131098 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.2 CCCSSC HR127587 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 CCNCCN HR124923 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.2 CCNCCO HR131326 [1,0,0,0,0,0|1,0,0]=2 83 B5R0.2 CCOCCBr HR147270 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.2 CCOCCCl HR125621 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.2 CCOCCN HR133098 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.2 CCOCCN HR141597 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.2 CCO\C=C\Br ATXF02514 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 CCSCCCl HR138028 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 CCSSCC HR137639 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.2 CC[Se][Se]CC HR102291 [1,0,0,0,0,0|2,0,0]=3 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 CC\C=C\CBr HR102032 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.2 CNCCCN HR127543 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.2 COCCCBr HR11240 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 COCCCCl HR128474 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.2 COCCCN HR131273 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.2 COCCCO HR1936 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.2 CO\C=C\C#N HR122816 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 CSCCCCl HR118093 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 C\C=C\CCC HR121014 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.2 C\C=C\OCC HR128979 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.2 ClCCCCBr AZXF00302 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 ClCCCCI HR102777 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 ClC\C=C\CCl HR122427 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.2 ClC\C=C\CCl HR131704 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.2 ICCCCI HR127157 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 NCCCCBr HR148711 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 NCCCCN HR123185 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 NCCCCO HR105259 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.2 NC\C=C\CO HR108338 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.2 NOC\C=C\Cl HR136847 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.2 O=COCCO HR145529 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.2 OCC#CCO HR131801 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.2 OCCCCCl HR129662 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.2 OC\C=C\CCl HR102138 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.2 OC\C=C\CO HR109258 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.2 OC\C=C\CO HR127834 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.2 OC\C=C\CO HR134158 [1,0,0,0,0,0|1,0,0]=2 120 B5R0.2 SCCCCS HR128290 [1,0,0,0,0,0|1,1,1]=4 121 B7R0.1 BrCCCCCCBr HR134505 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.1 C#CCCCCCO HR13080 [0,1,0,0,0,0|0,0,3]=4 123 B7R0.1 CCCCC#CCO HR136816 [0,1,0,0,0,0|0,0,3]=4 124 B7R0.1 CCCCCCCBr HR134594 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.1 CCCCCCCCl HR120915 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.1 CCCCCCCI HR126873 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.1 CCCCCCCO HR135329 [0,1,0,0,0,0|0,0,2]=3 128 B7R0.1 CCCCCCCS HR126629 [0,1,0,0,0,0|0,1,2]=4 129 B7R0.1 CCCCCC[Mg]Br HR108941 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.1 CCCCCC[Mg]Cl HR110838 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.1 CCCCNCCO HR101726 [0,1,0,0,0,0|0,0,2]=3 132 B7R0.1 CCCCOCCCl HR133392 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.1 CCCC\C=C\C=O HR129000 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.1 CCCNCCCN HR100474 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.1 CCCNCCOC HR103597 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.1 CCCSSCCC HR122302 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.1 CCOCCCCCl HR130559 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.1 CC\C=C\C=C\C=O HR130022 [0,1,0,0,0,0|0,0,3]=4 139 B7R0.1 CC\C=C\CCCC HR100327 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.1 CC\C=C\CCCO HR144605 [0,1,0,0,0,0|0,0,0]=1 141 B7R0.1 COCCOCCBr HR125362 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.1 COCCOCCO HR127002 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.1 ClCCCCCCBr HR126311 [0,1,0,0,0,0|1,0,2]=4 144 B7R0.1 ClCCCCCCCl HR135348 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.1 FCCCCCCBr HR144938 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.1 N#CC\C=C\CC#N HR113271 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.1 NCCCCCCN HR128708 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.1 NCCCCCCO HR113176 [0,1,0,0,0,0|0,0,2]=3 149 B7R0.1 NCCCNCCBr HR146740 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.1 NCCCNCCN HR144708 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.1 NCCCNCCO HR135493 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.1 NCCSSCCN HR127314 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.1 NCC[Se][Se]CCN HR112016 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.1 OCCCCCCBr HR132457 [0,1,0,0,0,0|0,0,2]=3 155 B7R0.1 OCCCCCCCl HR127389 [0,1,0,0,0,0|0,0,2]=3 156 B7R0.1 OCCCCCCO HR126915 [0,1,0,0,0,0|0,0,2]=3 157 B7R0.1 OCCCCCCS HR108497 [0,1,0,0,0,0|0,0,2]=3 158 B7R0.1 OCOCCOCO HR145201 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.1 SCCCCCCS HR125411 [0,1,0,0,0,0|0,1,2]=4 160 B7R0.3 C=CC(=O)OCCO HR125757 [0,1,0,0,0,0|1,0,2]=4 161 B7R0.3 C=CCOC(=S)CC HR101438 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.3 CC(CO)CCCO HR145878 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.3 CCC(C)CCCO HR119648 [0,1,0,0,0,0|0,0,2]=3 164 B7R0.3 CCCCC(Br)CBr HR101739 [0,1,0,0,0,0|1,0,2]=4 165 B7R0.3 CCCCC(O)CC HR100535 [0,1,0,0,0,0|1,0,2]=4 166 B7R0.3 CCCCC(O)CO HR100017 [0,1,0,0,0,0|0,0,2]=3 167 B7R0.3 CCCOC(=O)CC HR127273 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.3 COC(=O)CCCBr HR134912 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.3 COC(=O)CCCCl HR131361 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.3 COC(=O)CCCN HR105959 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.3 COC(=O)\C=C\CBr HR131230 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.3 COCOC(C)CO HR116453 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.3 CSCCC(N)CO HR124191 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.3 CSCCC(N)CO HR124440 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.4 CC(C)CCCCBr HR119057 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.4 CC(C)CCCCO HR145339 [0,1,0,0,0,0|0,0,2]=3 177 B7R0.4 CC(C)OCCCCl HR125103 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.4 CC(C)OCCCN HR136075 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.4 CC(O)CCCCO HR100920 [0,1,0,0,0,0|0,0,2]=3 180 B7R0.4 CCCCCB(O)O HR142127 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.4 CCCCCC(C)Br HR136114 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.4 CCCCCC(C)O HR113580 [0,1,0,0,0,0|0,0,2]=3 183 B7R0.4 CCCCCC(C)O HR113894 [0,1,0,0,0,0|0,0,2]=3 184 B7R0.4 CCCCCC(C)O HR133526 [0,1,0,0,0,0|0,0,2]=3 185 B7R0.4 CCCOCC(C)O HR142954 [0,1,0,0,0,0|1,0,1]=3 186 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,1,0,0,0,0|1,0,1]=3 187 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,1,0,0,0,0|0,0,1]=2 189 B7R0.4 C\C=C\C=C\C(=O)O HR125524 [0,1,0,0,0,0|0,0,3]=4 190 B7R0.7 C=C(OCC)OCC IVSA07713 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.7 CC(CCO)CCO HR143828 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.7 CCCC(=O)OCCl HR123267 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.7 CCCC(=S)OCC HR130469 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.7 CCCC(=S)OCC HR143387 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.7 CCCC(Br)CCC HR101804 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.7 CCCC(C)CCO HR101631 [0,1,0,0,0,0|0,0,2]=3 197 B7R0.7 CCCC(N)CCC HR105135 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.7 CCCC(S)CCO HR131891 [0,1,0,0,0,0|0,0,2]=3 199 B7R0.7 CCNC(=O)NCC HR128759 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.7 CCNC(=S)NCC HR122808 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.7 CCOC(=O)CCBr HR132284 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.7 CCOC(=O)CCCl HR147079 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.7 CCOC(=O)CCI HR101944 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.7 CCOC(=O)CCN HR129110 [0,1,0,0,0,0|2,0,0]=3 205 B7R0.7 CCOC(=O)CCS HR135162 [0,1,0,0,0,0|1,1,0]=3 206 B7R0.7 CCOC(=O)CNC HR138266 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.7 CCOC(=O)CNN HR128003 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.7 CCOC(=O)COC HR123443 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.7 CCOC(=O)OCCl HR138904 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.7 CN(CCO)CCO HR128660 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.7 O=C(CCCl)CCCl HR2482 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.7 O=C(NCO)NCO HR129137 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.7 [C-]#[N+]CC(=O)OCC HR146955 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.1 BrCC1=CC=NO1 HR111380 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.1 BrCC1CCCC1 HR3104 [0,0,0,1,0,0|1,0,2]=4 216 B7R1.1 BrCC1CCCO1 HR129840 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.1 BrCC1CCOC1 HR103769 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.1 BrCC1OCCO1 HR132681 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.1 CCC1=CC=CO1 HR125873 [0,0,0,1,0,0|0,0,2]=3 220 B7R1.1 CCC1=CC=CS1 HR111385 [0,0,0,1,0,0|0,1,2]=4 221 B7R1.1 CCC1=CSC=C1 HR124094 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.1 CCC1=NCCO1 HR131444 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.1 CCN1CCCC1 HR139662 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.1 CNC1=CN=CO1 HR119721 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.1 COC1=NCCN1 HR121684 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.1 CSC1=NCCS1 HR105452 [0,0,0,1,0,0|2,1,0]=4 227 B7R1.1 CSC1=NCCS1 HR124600 [0,0,0,1,0,0|2,1,0]=4 228 B7R1.1 ClCC1=CC=NO1 HR106390 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.1 ClCC1=CN=CO1 HR116607 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.1 ClCC1=NCCN1 HR127500 [0,0,0,1,0,0|3,0,0]=4 231 B7R1.1 ClCC1CCCO1 HR119687 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.1 ClCC1OCCO1 HR129577 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.1 NCC1=CC=NO1 HR104828 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.1 NCC1=CN=CO1 HR146908 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.1 NCC1C=CCO1 HR104311 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.1 NCC1CCCC1 HR113514 [0,0,0,1,0,0|1,0,2]=4 237 B7R1.1 NCC1CCCC1 HR143637 [0,0,0,1,0,0|1,0,2]=4 238 B7R1.1 NCC1CCCN1 HR142418 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.1 NCC1CCCO1 HR130884 [0,0,0,1,0,0|1,0,2]=4 240 B7R1.1 NCC1CCCO1 HR146003 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.1 NCC1CCOC1 HR112138 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.1 NCc1ccno1 HR111646 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.1 OCC1=CC=CO1 HR147620 [0,0,0,1,0,0|1,0,2]=4 244 B7R1.1 OCC1=CC=CS1 HR136423 [0,0,0,1,0,0|1,0,2]=4 245 B7R1.1 OCC1=CC=NN1 HR118693 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.1 OCC1=CC=NO1 HR105454 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.1 OCC1=CC=NS1 HR114846 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.1 OCC1=CN=CO1 HR120976 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.1 OCC1=COC=C1 HR124594 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.1 OCC1=CSC=C1 HR123712 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.1 OCC1CC=CC1 HR106689 [0,0,0,1,0,0|0,0,2]=3 252 B7R1.1 OCC1CCCC1 HR132881 [0,0,0,1,0,0|0,0,2]=3 253 B7R1.1 OCC1CCCN1 HR103019 [0,0,0,1,0,0|1,0,1]=3 254 B7R1.1 OCC1CCCN1 HR127601 [0,0,0,1,0,0|1,0,1]=3 255 B7R1.1 OCC1CCCN1 HR137906 [0,0,0,1,0,0|1,0,1]=3 256 B7R1.1 OCC1CCCO1 HR7086 [0,0,0,1,0,0|1,0,1]=3 257 B7R1.1 OCC1CCNC1 HR102864 [0,0,0,1,0,0|1,0,1]=3 258 B7R1.1 OCC1CCNC1 HR103174 [0,0,0,1,0,0|1,0,1]=3 259 B7R1.1 OCC1CCNC1 HR106887 [0,0,0,1,0,0|1,0,1]=3 260 B7R1.1 OCC1CCNC1 HR120104 [0,0,0,1,0,0|1,0,1]=3 261 B7R1.1 OCC1CCOC1 HR103184 [0,0,0,1,0,0|1,0,1]=3 262 B7R1.1 OCC1CCOC1 HR114642 [0,0,0,1,0,0|1,0,1]=3 263 B7R1.1 OCC1CCOC1 HR114966 [0,0,0,1,0,0|1,0,1]=3 264 B7R1.1 OCC1COCO1 HR124575 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.1 OCC1OCCS1 APSA07208 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.1 OCN1C=CC=N1 HR112118 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.1 OCN1C=CN=C1 HR8052 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.3 BrC1C=CCCC1 HR103088 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.3 BrC1CCCCC1 HR130726 [0,0,0,1,0,0|1,0,2]=4 270 B7R1.3 BrC1CCCOC1 HR120914 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.3 BrC1CCNCC1 HR9060 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.3 BrC1CCOCC1 HR116270 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.3 CC1=CCC=CC1 HR142661 [0,0,0,1,0,0|1,0,2]=4 274 B7R1.3 CC1=CCCCC1 HR143913 [0,0,0,1,0,0|1,0,2]=4 275 B7R1.3 CC1CCCCN1 HR103733 [0,0,0,1,0,0|1,0,2]=4 276 B7R1.3 CC1CCCCN1 HR128173 [0,0,0,1,0,0|1,0,2]=4 277 B7R1.3 CC1CCCCN1 HR149767 [0,0,0,1,0,0|1,0,2]=4 278 B7R1.3 CC1CCCCN1 ROXF00402 [0,0,0,1,0,0|1,0,2]=4 279 B7R1.3 CC1CCCNC1 HR146011 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.3 CC1CNCCN1 HR127903 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.3 CC1CNCCN1 HR128397 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.3 CC1CNCCO1 HR108818 [0,0,0,1,0,0|1,0,1]=3 283 B7R1.3 CC1CNCCO1 HR116772 [0,0,0,1,0,0|1,0,1]=3 284 B7R1.3 CC1CNCCO1 HR145331 [0,0,0,1,0,0|1,0,1]=3 285 B7R1.3 CC1CNCCO1 HR17028 [0,0,0,1,0,0|1,0,1]=3 286 B7R1.3 CC1CNCCO1 HR17029 [0,0,0,1,0,0|1,0,1]=3 287 B7R1.3 CC1COCCN1 HR104376 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.3 CC1COCCN1 HR113604 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.3 CC1COCCN1 HR11363 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.3 CC1COCCN1 HR17226 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.3 CC1COCCN1 HR17244 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.3 CC1OCCCO1 HR144647 [0,0,0,1,0,0|1,0,1]=3 293 B7R1.3 CN1CC=CCC1 HR147169 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.3 ClC1CCCCC1 HR135558 [0,0,0,1,0,0|1,0,2]=4 295 B7R1.3 ClC1CCCOC1 HR146388 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.3 ClC1CCNCC1 HR101047 [0,0,0,1,0,0|2,0,1]=4 297 B7R1.3 ClC1CCNCC1 HR111254 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.3 ClC1CCOCC1 EDCQ03603 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.3 FC1CCCNC1 HR105776 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.3 FC1CCCNC1 HR151296 [0,0,0,1,0,0|2,0,1]=4 301 B7R1.3 FC1CCNCC1 HR103784 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.3 FC1CCNCC1 HR111399 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.3 IC1CCOCC1 HR108494 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.3 NC1CCCCC1 HR124720 [0,0,0,1,0,0|1,0,2]=4 305 B7R1.3 NC1CCCCC1 HR128823 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.3 NC1CCCCC1 HR144083 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.3 NC1CCCCC1 HR145293 [0,0,0,1,0,0|1,0,2]=4 308 B7R1.3 NC1CCCNC1 HR112662 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.3 NC1CCCNC1 HR11476 [0,0,0,1,0,0|2,0,1]=4 310 B7R1.3 NC1CCCNC1 HR120946 [0,0,0,1,0,0|2,0,1]=4 311 B7R1.3 NC1CCCNC1 HR134664 [0,0,0,1,0,0|2,0,1]=4 312 B7R1.3 NC1CCCNC1 HR142505 [0,0,0,1,0,0|2,0,1]=4 313 B7R1.3 NC1CCCNC1 HR3013 [0,0,0,1,0,0|2,0,1]=4 314 B7R1.3 NC1CCCOC1 HR101943 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.3 NC1CCCOC1 HR105701 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.3 NC1CCCOC1 HR114985 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.3 NC1CCCOC1 HR121806 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.3 NC1CCNCC1 HR117691 [0,0,0,1,0,0|2,0,1]=4 319 B7R1.3 NC1CCNCC1 HR127718 [0,0,0,1,0,0|2,0,1]=4 320 B7R1.3 NC1CCOCC1 HR113158 [0,0,0,1,0,0|2,0,1]=4 321 B7R1.3 NC1CCOCC1 HR133397 [0,0,0,1,0,0|2,0,1]=4 322 B7R1.3 NC1CCOCC1 HR9558 [0,0,0,1,0,0|2,0,1]=4 323 B7R1.3 O=C1C=CCCC1 HR146309 [0,0,0,1,0,0|2,0,1]=4 324 B7R1.3 OC1C=CCCC1 HR108292 [0,0,0,1,0,0|0,0,2]=3 325 B7R1.3 OC1CCCCC1 HR122340 [0,0,0,1,0,0|0,0,2]=3 326 B7R1.3 OC1CCCNC1 HR11310 [0,0,0,1,0,0|1,0,1]=3 327 B7R1.3 OC1CCCNC1 HR122384 [0,0,0,1,0,0|1,0,1]=3 328 B7R1.3 OC1CCCNC1 HR128253 [0,0,0,1,0,0|1,0,1]=3 329 B7R1.3 OC1CCCNC1 HR138469 [0,0,0,1,0,0|1,0,1]=3 330 B7R1.3 OC1CCCOC1 HR105061 [0,0,0,1,0,0|1,0,1]=3 331 B7R1.3 OC1CCNCC1 ACSA02513 [0,0,0,1,0,0|1,0,1]=3 332 B7R1.3 OC1CCNCC1 HR132750 [0,0,0,1,0,0|1,0,1]=3 333 B7R1.3 OC1CCOCC1 HR10170 [0,0,0,1,0,0|1,0,1]=3 334 B7R1.3 OC1CCSCC1 HR117672 [0,0,0,1,0,0|1,0,1]=3 335 B7R1.3 OC1COCOC1 HR132891 [0,0,0,1,0,0|2,0,1]=4 336 B7R1.3 ON1CCCCC1 HR106287 [0,0,0,1,0,0|1,0,2]=4 337 B7R1.3 PC1CCCCC1 HR119652 [0,0,0,1,0,0|1,0,2]=4 338 B7R1.3 SC1CCCCC1 HR119141 [0,0,0,1,0,0|0,1,2]=4 339 B7R1.3 SC1CCOCC1 HR143968 [0,0,0,1,0,0|1,1,1]=4 340 B7R1.4 CC1OCCC1S HR131287 [0,0,0,1,0,0|1,1,1]=4 341 B7R1.4 NC1CCCC1O HR123573 [0,0,0,1,0,0|1,0,2]=4 342 B7R1.4 NC1CCCC1O HR126055 [0,0,0,1,0,0|1,0,2]=4 343 B7R1.4 NC1CCCC1O HR126723 [0,0,0,1,0,0|1,0,2]=4 344 B7R1.4 NC1CCCC1O HR135381 [0,0,0,1,0,0|1,0,2]=4 345 B7R1.4 NC1CCCC1O HR142701 [0,0,0,1,0,0|1,0,2]=4 346 B7R1.4 NC1CNCC1O HR146002 [0,0,0,1,0,0|2,0,1]=4 347 B7R1.4 NC1COCC1O HR101952 [0,0,0,1,0,0|2,0,1]=4 348 B7R1.4 OC1CCCC1O HR141990 [0,0,0,1,0,0|1,0,2]=4 349 B7R1.4 OC1CCCC1O HR144744 [0,0,0,1,0,0|1,0,2]=4 350 B7R1.4 OC1CNCC1F HR150226 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.4 OC1CNCC1O HR102451 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.4 OC1CNCC1O HR102769 [0,0,0,1,0,0|2,0,1]=4 353 B7R1.4 OC1CNCC1O HR135572 [0,0,0,1,0,0|2,0,1]=4 354 B7R1.6 OCCC1COC1 HR102073 [0,0,0,1,0,0|1,0,2]=4 355 B7R1.6 OCCN1CCC1 HR33950 [0,0,0,1,0,0|1,0,1]=3 356 B7R1.24 C1CCCNCC1 HR146715 [0,0,0,1,0,0|1,0,2]=4 357 B7R1.24 C1CCOCOC1 HR105864 [0,0,0,1,0,0|1,0,2]=4 358 B7R1.24 C1CNCCNC1 HR122712 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.24 C1CNCCOC1 HR100780 [0,0,0,1,0,0|1,0,1]=3 360 B7R1.24 C1CNCCOC1 HR146137 [0,0,0,1,0,0|1,0,1]=3 361 B4R0.2 BrCCCBr HR137338 [2,0,0,0,0,0|2,0,0]=4 362 B4R0.2 C#CCCO HR126889 [2,0,0,0,0,0|0,0,2]=4 363 B4R0.2 C=CCCBr HR124734 [2,0,0,0,0,0|1,0,0]=3 364 B4R0.2 C=CCCN HR116389 [2,0,0,0,0,0|1,0,0]=3 365 B4R0.2 C=CCCO HR127635 [2,0,0,0,0,0|0,0,0]=2 366 B4R0.2 C=CCNN HR111582 [2,0,0,0,0,0|2,0,0]=4 367 B4R0.2 C=CCOC HR111200 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.2 C=CCSC HR122911 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.2 C=CC[Mg]Br HR133613 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.2 C=CC[Mg]Cl HR133344 [2,0,0,0,0,0|2,0,0]=4 371 B4R0.2 C=CC[Pd]Cl HR116804 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.2 C=COCC CESA03009 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 CC#CCO HR131453 [2,0,0,0,0,0|0,0,2]=4 374 B4R0.2 CCCCN HR105634 [2,0,0,0,0,0|1,0,0]=3 375 B4R0.2 CCCCO HR138784 [2,0,0,0,0,0|0,0,0]=2 376 B4R0.2 CCCC[O-] HR125276 [2,0,0,0,0,0|0,0,1]=3 377 B4R0.2 CCCC[Si] HR100255 [2,0,0,0,0,0|1,0,0]=3 378 B4R0.2 CCCNC HR109098 [2,0,0,0,0,0|1,0,1]=4 379 B4R0.2 CCCSC HR128481 [2,0,0,0,0,0|1,0,1]=4 380 B4R0.2 CCC[Mg]Br HR101998 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.2 CCC[Mg]Cl HR101421 [2,0,0,0,0,0|2,0,0]=4 382 B4R0.2 CCNC=O HR104364 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.2 CCNCC HR101857 [2,0,0,0,0,0|1,0,0]=3 384 B4R0.2 CCNCC HR127000 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.2 CCNCC HR132573 [2,0,0,0,0,0|1,0,0]=3 386 B4R0.2 CCOC=N HR105865 [2,0,0,0,0,0|2,0,0]=4 387 B4R0.2 CCPCC HR117135 [2,0,0,0,0,0|1,0,0]=3 388 B4R0.2 CCSCC HR120777 [2,0,0,0,0,0|1,0,0]=3 389 B4R0.2 CCSCC HR127285 [2,0,0,0,0,0|1,0,0]=3 390 B4R0.2 CCSSC HR129263 [2,0,0,0,0,0|2,0,0]=4 391 B4R0.2 CC\C=C\Br HR114361 [2,0,0,0,0,0|1,0,0]=3 392 B4R0.2 CNCCO HR131851 [2,0,0,0,0,0|1,0,0]=3 393 B4R0.2 COCCBr HR2138 [2,0,0,0,0,0|2,0,0]=4 394 B4R0.2 COCCCl HR130902 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.2 COCCN HR101134 [2,0,0,0,0,0|2,0,0]=4 396 B4R0.2 CSCCN HR110636 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.2 CSCCO HR125294 [2,0,0,0,0,0|1,0,0]=3 398 B4R0.2 C\C=C\C#N HR148236 [2,0,0,0,0,0|1,0,1]=4 399 B4R0.2 C\C=C\CC HR121335 [2,0,0,0,0,0|0,0,0]=2 400 B4R0.2 C\C=C\CC HR121956 [2,0,0,0,0,0|0,0,0]=2 401 B4R0.2 C\C=C\CCl HR130392 [2,0,0,0,0,0|1,0,0]=3 402 B4R0.2 C\C=C\CN HR109640 [2,0,0,0,0,0|1,0,0]=3 403 B4R0.2 C\C=C\OC HR102446 [2,0,0,0,0,0|1,0,0]=3 404 B4R0.2 Cl\C=C\CCl HR127094 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.2 Cl\C=C\CCl HR137813 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.2 FCCCBr HR109590 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.2 ICCCI HR100197 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.2 N#CCCO HR132067 [2,0,0,0,0,0|1,0,1]=4 409 B4R0.2 NCCCBr CEJL02001 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.2 NCCCBr HR133137 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.2 NCCCCl HR125166 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.2 NCCCN HR147138 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.2 NCCCO HR117078 [2,0,0,0,0,0|1,0,0]=3 414 B4R0.2 NNCCO HR125238 [2,0,0,0,0,0|2,0,0]=4 415 B4R0.2 OCCCBr HR133755 [2,0,0,0,0,0|1,0,0]=3 416 B4R0.2 OCCCCl HR147346 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.2 OCCCF HR128996 [2,0,0,0,0,0|1,0,0]=3 418 B4R0.2 OCCCI HR117054 [2,0,0,0,0,0|1,0,0]=3 419 B4R0.2 OCCCO HR129726 [2,0,0,0,0,0|1,0,0]=3 420 B4R0.2 OCCCS HR131625 [2,0,0,0,0,0|1,0,0]=3 421 B4R0.2 SCCCBr HR118175 [2,0,0,0,0,0|1,1,0]=4 422 B4R0.2 SCCCS HR124438 [2,0,0,0,0,0|1,1,0]=4 423 B4R0.2 [Li]CCCC HR138942 [2,0,0,0,0,0|1,0,0]=3 424 B6R0.1 C#C\C(C)=C/CO HR102743 [1,1,0,0,0,0|0,0,2]=4 425 B6R0.1 C#C\C(C)=C/CO HR110020 [1,1,0,0,0,0|0,0,2]=4 426 B6R0.1 C=CC(=O)CCC HR100488 [1,1,0,0,0,0|1,0,1]=4 427 B6R0.1 C=CC(=O)NCO HR132117 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.1 CC(CO)CCO HR114955 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.1 CCC(=O)CC#N HR104780 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.1 CCC(=O)CSC HR123442 [1,1,0,0,0,0|1,0,1]=4 431 B6R0.1 CCC(C)CCO HR120273 [1,1,0,0,0,0|0,0,1]=3 432 B6R0.1 CCCC(=O)SC HR136352 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.1 CCCC(=S)OC HR122832 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.1 CCCC(Br)CBr HR132339 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.1 CCCC(Br)CC HR118696 [1,1,0,0,0,0|0,0,2]=4 436 B6R0.1 CCCC(N)CO HR112281 [1,1,0,0,0,0|0,0,1]=3 437 B6R0.1 CCCC(O)CO HR126914 [1,1,0,0,0,0|0,0,1]=3 438 B6R0.1 CCOC(=N)CCl HR112327 [1,1,0,0,0,0|2,0,0]=4 439 B6R0.1 CCOC(=O)CBr AMJB00601 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.1 CCOC(=O)CCl HR147617 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.1 CCOC(=O)CN HR134743 [1,1,0,0,0,0|2,0,0]=4 442 B6R0.1 CCOC(=O)CO HR127384 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.1 CCOC(=O)CS HR136673 [1,1,0,0,0,0|1,1,0]=4 444 B6R0.1 CCOC(=O)OC HR138173 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.1 CCOC(Br)CBr HR133561 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.1 CCO\C(C)=N/O SIJL01004 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.1 CCSC(=O)CC HR138214 [1,1,0,0,0,0|1,0,0]=3 448 B6R0.1 CNCC(O)CO HR129465 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.1 COC(=O)CCBr HR133552 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.1 COC(=O)CCN HR135038 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.1 COC(=O)CCS HR133169 [1,1,0,0,0,0|1,1,0]=4 452 B6R0.1 COC(C)CCO HR100431 [1,1,0,0,0,0|1,0,1]=4 453 B6R0.1 COCC(O)CO HR137691 [1,1,0,0,0,0|1,0,1]=4 454 B6R0.1 C\C=C\C(=O)CC HR108073 [1,1,0,0,0,0|0,0,1]=3 455 B6R0.1 NC(CO)CCO HR104083 [1,1,0,0,0,0|1,0,1]=4 456 B6R0.1 O=C(CCl)NCO HR124394 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.1 OCCC(O)CO HR115817 [1,1,0,0,0,0|1,0,1]=4 458 B6R0.1 OCCC(O)CO HR123987 [1,1,0,0,0,0|1,0,1]=4 459 B6R0.1 OCCC(O)CO HR130974 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.4 CC(=O)CCCBr HR147487 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.4 CC(=O)CCCCl HR100024 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.4 CC(=O)CCCO HR136959 [1,1,0,0,0,0|0,0,1]=3 463 B6R0.4 CC(=O)NCCN HR128075 [1,1,0,0,0,0|2,0,0]=4 464 B6R0.4 CC(=O)NCCO HR100613 [1,1,0,0,0,0|1,0,0]=3 465 B6R0.4 CC(=O)OCCBr HR131354 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.4 CC(Br)CCCBr HR123815 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.4 CC(C)CCCBr HR133659 [1,1,0,0,0,0|1,0,1]=4 468 B6R0.4 CC(C)NCCN HR8612 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.4 CC(C)NCCO HR143524 [1,1,0,0,0,0|1,0,0]=3 470 B6R0.4 CC(O)CCCO HR139458 [1,1,0,0,0,0|0,0,1]=3 471 B6R0.4 CCC#CC(C)O HR138958 [1,1,0,0,0,0|0,0,2]=4 472 B6R0.4 CCCCB(O)O HR137738 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.4 CCCCC(C)N HR107080 [1,1,0,0,0,0|0,0,2]=4 474 B6R0.4 CCCCC(C)O HR113264 [1,1,0,0,0,0|0,0,1]=3 475 B6R0.4 CCCCC(C)O HR141634 [1,1,0,0,0,0|0,0,1]=3 476 B6R0.4 CCCC[Sn](=O)O HR135371 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.4 CCCSC(C)=O HR137881 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.4 CCNCC(=O)O HR105131 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.4 CCOCC(=O)O HR123178 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.4 CC\C=C\B(O)O HR116587 [1,1,0,0,0,0|1,0,0]=3 481 B6R0.4 COCCC(C)O HR129774 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.4 COCCC(O)Br HR10478 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.4 CO\C=C\C(C)=O HR138997 [1,1,0,0,0,0|1,0,1]=4 484 B8R0.1 CCCC(=O)OCSC HR128277 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.1 CCCOC(=O)CCS HR117505 [0,2,0,0,0,0|0,1,1]=4 486 B8R0.1 CCOC(=O)CCCBr HR133499 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.1 CCOC(=O)CCCN HR142861 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.1 CCOC(=O)CCC[Zn+] HR140860 [0,2,0,0,0,0|1,0,1]=4 489 B8R0.1 CCOC(=O)NCCCl HR139857 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.1 CCOC(=O)\C=C\CBr HR131502 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.1 CN(CCO)CCCN HR138901 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.1 C\C=C\C(=O)CCCC HR108746 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.4 CCCCC#CCCO HR123774 [0,2,0,0,0,0|0,0,2]=4 494 B8R0.4 CCCCCC#CCO HR100166 [0,2,0,0,0,0|0,0,2]=4 495 B8R0.4 CCCCCCCCO HR101140 [0,2,0,0,0,0|0,0,2]=4 496 B8R0.4 CCCCCCCCO HR127849 [0,2,0,0,0,0|0,0,2]=4 497 B8R0.4 CCC\C=C\CCCC HR142398 [0,2,0,0,0,0|1,0,0]=3 498 B8R0.4 CCOCCCOCC HR107801 [0,2,0,0,0,0|1,0,1]=4 499 B8R0.4 CCOCCOCCO HR129783 [0,2,0,0,0,0|0,0,2]=4 500 B8R0.4 CC\C=C\CCCCO HR143941 [0,2,0,0,0,0|0,0,0]=2 501 B8R0.4 CC\C=C\CCOC=O HR127818 [0,2,0,0,0,0|0,0,0]=2 502 B8R0.4 COCCNCCOC HR115094 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.4 COCCOCCCN HR141025 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.4 COCCOCCOC HR130221 [0,2,0,0,0,0|1,0,1]=4 505 B8R0.4 NCCCCNCCO HR116966 [0,2,0,0,0,0|0,0,2]=4 506 B8R0.4 OCCCCCCCBr HR134819 [0,2,0,0,0,0|0,0,2]=4 507 B8R0.4 OCCCCCCCO HR11489 [0,2,0,0,0,0|0,0,2]=4 508 B8R0.6 C#CC(O)CCCCC HR131985 [0,2,0,0,0,0|0,0,2]=4 509 B8R0.6 C=CC(O)CCCCC HR133074 [0,2,0,0,0,0|0,0,2]=4 510 B8R0.6 CCC(C)CCCCO HR119961 [0,2,0,0,0,0|0,0,2]=4 511 B8R0.6 CCCCCC(O)CC HR112896 [0,2,0,0,0,0|0,0,2]=4 512 B8R0.6 CCCCCC(O)CC HR113840 [0,2,0,0,0,0|0,0,2]=4 513 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,2,0,0,0,0|1,0,1]=4 515 B8R0.6 COCCCC(=O)OC HR115734 [0,2,0,0,0,0|1,0,1]=4 516 B8R0.6 OCCCCC(O)CO HR123795 [0,2,0,0,0,0|0,0,2]=4 517 B8R0.7 CC(C)CCCCCO HR101450 [0,2,0,0,0,0|0,0,2]=4 518 B8R0.7 CC(C)CCCCCO HR144906 [0,2,0,0,0,0|0,0,2]=4 519 B8R0.7 CC(C)NCCCCO HR143381 [0,2,0,0,0,0|0,0,2]=4 520 B8R0.7 CCCCCCB(O)O HR124554 [0,2,0,0,0,0|0,0,2]=4 521 B8R0.7 CCCCCCC(C)O HR125954 [0,2,0,0,0,0|0,0,2]=4 522 B8R0.7 CCCCCCC(C)O HR128561 [0,2,0,0,0,0|0,0,2]=4 523 B8R0.7 CCCCCCC(C)O HR132915 [0,2,0,0,0,0|0,0,2]=4 524 B8R0.7 CCCCCCC(C)O HR133230 [0,2,0,0,0,0|0,0,2]=4 525 B8R0.7 CCCCOCC(C)O HR132803 [0,2,0,0,0,0|0,0,2]=4 526 B8R0.7 CN(C)CCOCCO HR105201 [0,2,0,0,0,0|1,0,1]=4 527 B8R0.3 C=C(CO)C(=O)OCC HR110396 [0,2,0,0,0,0|1,0,1]=4 528 B8R0.3 CCOC(=O)C(=O)CC HR105760 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.3 CCOC(=O)C(Br)CBr HR129498 [0,2,0,0,0,0|2,0,0]=4 530 B8R0.3 CCOC(=O)C(Br)CC HR135114 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.3 CCOC(=O)C(C)CC HR129683 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.3 CCOC(=O)C(C)CC HR138244 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.3 CCOC(=O)C(C)CN HR117532 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.3 CCOC(=O)C(Cl)CCl HR119653 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.3 CCOC(=O)C(N)CC HR103721 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.3 CCOC(=O)C(N)CO HR127361 [0,2,0,0,0,0|1,0,0]=3 537 B8R0.3 CCOC(=O)C(N)CO HR142606 [0,2,0,0,0,0|1,0,0]=3 538 B8R0.3 CCOC(=O)C(N)CS HR136050 [0,2,0,0,0,0|1,1,0]=4 539 B8R0.3 CCOC(=O)C(S)CC HR118467 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.3 C\C=C\C(=O)C(C)CC HR137024 [0,2,0,0,0,0|1,0,1]=4 541 B8R0.8 C=C(C)C(=O)OCCO HR133745 [0,2,0,0,0,0|1,0,1]=4 542 B8R0.8 CCCOC(=O)C(C)O HR104314 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.8 CCCOC(=O)C(C)O HR143626 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.9 CC(O)COC(C)CO HR100186 [0,2,0,0,0,0|1,0,1]=4 545 B8R0.9 COC(=O)CCC(C)O HR125584 [0,2,0,0,0,0|1,0,1]=4 546 B8R0.11 CCCCC(CC)CO HR130189 [0,2,0,0,0,0|0,0,2]=4 547 B8R0.11 CCCCC(CO)CO HR120381 [0,2,0,0,0,0|0,0,2]=4 548 B8R0.11 CCC\C=C(/C=O)CC HR103170 [0,2,0,0,0,0|1,0,0]=3 549 B8R0.11 CCN(CC)CCCO AZXM00801 [0,2,0,0,0,0|1,0,1]=4 550 B8R0.5 CC(C)OC(=O)CCS HR117191 [0,2,0,0,0,0|1,1,0]=4 551 B8R0.5 CCOC(=O)CC(=O)O HR125762 [0,2,0,0,0,0|1,0,1]=4 552 B8R0.5 CCOC(=O)CC(C)O HR103958 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.5 CCOC(=O)CC(C)O HR115663 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.5 CCOC(=O)CC(C)O HR126277 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.5 CCOC(=O)CC(C)S HR114517 [0,2,0,0,0,0|1,1,0]=4 556 B8R0.28 CC(O)CCCC(C)O HR143862 [0,2,0,0,0,0|0,0,2]=4 557 B8R0.28 CC(O)COCC(C)O HR133846 [0,2,0,0,0,0|1,0,1]=4 558 B8R0.22 CCCC(CCO)SC HR134221 [0,2,0,0,0,0|0,0,2]=4 559 B6R1.1 C1=CCCC=C1 HR147137 [1,0,0,1,0,0|0,0,2]=4 560 B6R1.1 C1=COCCC1 HR126451 [1,0,0,1,0,0|1,0,0]=3 561 B6R1.1 C1CCCCC1 HR106893 [1,0,0,1,0,0|0,0,2]=4 562 B6R1.1 C1CCCCC1 HR147601 [1,0,0,1,0,0|0,0,2]=4 563 B6R1.1 C1CCNCC1 ARJL02201 [1,0,0,1,0,0|1,0,1]=4 564 B6R1.1 C1CCNCC1 HR101018 [1,0,0,1,0,0|1,0,1]=4 565 B6R1.1 C1CCNCC1 HR131157 [1,0,0,1,0,0|1,0,1]=4 566 B6R1.1 C1CCNCC1 HR132491 [1,0,0,1,0,0|1,0,1]=4 567 B6R1.1 C1CCNCC1 HR149186 [1,0,0,1,0,0|1,0,1]=4 568 B6R1.1 C1CCNNC1 HR103533 [1,0,0,1,0,0|2,0,0]=4 569 B6R1.1 C1CCNNC1 HR104595 [1,0,0,1,0,0|2,0,0]=4 570 B6R1.1 C1CCSCC1 HR125674 [1,0,0,1,0,0|0,1,1]=4 571 B6R1.1 C1CC[NH2+]CC1 HR106637 [1,0,0,1,0,0|1,0,1]=4 572 B6R1.1 C1CNCCN1 HR111278 [1,0,0,1,0,0|2,0,0]=4 573 B6R1.1 C1CNCCN1 HR115728 [1,0,0,1,0,0|2,0,0]=4 574 B6R1.1 C1CNCCN1 HR123562 [1,0,0,1,0,0|2,0,0]=4 575 B6R1.1 C1CNCCN1 HR123681 [1,0,0,1,0,0|2,0,0]=4 576 B6R1.1 C1CNCCN1 HR135549 [1,0,0,1,0,0|2,0,0]=4 577 B6R1.1 C1CNCCN1 INSA03507 [1,0,0,1,0,0|2,0,0]=4 578 B6R1.1 C1COCCN1 FAXM00202 [1,0,0,1,0,0|1,0,0]=3 579 B6R1.1 C1COCCN1 HR113929 [1,0,0,1,0,0|1,0,0]=3 580 B6R1.1 C1COCCN1 HR122525 [1,0,0,1,0,0|1,0,0]=3 581 B6R1.1 C1COCCN1 HR15002 [1,0,0,1,0,0|1,0,0]=3 582 B6R1.1 C1CSCCN1 HR108045 [1,0,0,1,0,0|1,1,0]=4 583 B6R1.1 C1CSCCN1 HR15746 [1,0,0,1,0,0|1,1,0]=4 584 B6R1.1 C1CSCCS1 HR108155 [1,0,0,1,0,0|1,1,0]=4 585 B6R1.2 BrC1CCCC1 HR146931 [1,0,0,1,0,0|1,0,1]=4 586 B6R1.2 BrC1CCOC1 HR32206 [1,0,0,1,0,0|2,0,0]=4 587 B6R1.2 CC1=CC=NO1 HR131159 [1,0,0,1,0,0|1,0,1]=4 588 B6R1.2 CC1=NCCC1 HR128050 [1,0,0,1,0,0|1,0,1]=4 589 B6R1.2 CC1=NCCS1 HR124488 [1,0,0,1,0,0|1,1,0]=4 590 B6R1.2 CC1CCCN1 HR11117 [1,0,0,1,0,0|1,0,1]=4 591 B6R1.2 CC1CCCN1 HR136768 [1,0,0,1,0,0|1,0,1]=4 592 B6R1.2 CC1CCCN1 HR137719 [1,0,0,1,0,0|1,0,1]=4 593 B6R1.2 CC1CCCN1 HR137972 [1,0,0,1,0,0|1,0,1]=4 594 B6R1.2 CC1CCCN1 HR138237 [1,0,0,1,0,0|1,0,1]=4 595 B6R1.2 CC1CCCO1 HR10841 [1,0,0,1,0,0|0,0,1]=3 596 B6R1.2 CC1CCNC1 HR117788 [1,0,0,1,0,0|1,0,1]=4 597 B6R1.2 CC1CCNC1 HR121513 [1,0,0,1,0,0|1,0,1]=4 598 B6R1.2 CC1CCNC1 HR142801 [1,0,0,1,0,0|1,0,1]=4 599 B6R1.2 CC1CCNC1 HR142900 [1,0,0,1,0,0|1,0,1]=4 600 B6R1.2 CC1CCNC1 HR143674 [1,0,0,1,0,0|1,0,1]=4 601 B6R1.2 CC1CCOC1 HR144126 [1,0,0,1,0,0|1,0,1]=4 602 B6R1.2 CC1CCSC1 HR124140 [1,0,0,1,0,0|1,0,1]=4 603 B6R1.2 CC1COCO1 HR124771 [1,0,0,1,0,0|1,0,1]=4 604 B6R1.2 ClC1=CCCC1 HR140861 [1,0,0,1,0,0|2,0,0]=4 605 B6R1.2 ClC1CCCC1 HR100908 [1,0,0,1,0,0|1,0,1]=4 606 B6R1.2 ClC1CCOC1 HR146389 [1,0,0,1,0,0|2,0,0]=4 607 B6R1.2 FC1CCNC1 HR108608 [1,0,0,1,0,0|2,0,0]=4 608 B6R1.2 FC1CCNC1 HR111906 [1,0,0,1,0,0|2,0,0]=4 609 B6R1.2 FC1CCNC1 HR113706 [1,0,0,1,0,0|2,0,0]=4 610 B6R1.2 FC1CCNC1 HR148267 [1,0,0,1,0,0|2,0,0]=4 611 B6R1.2 IC1CCOC1 HR121544 [1,0,0,1,0,0|2,0,0]=4 612 B6R1.2 NC1CC=CC1 HR106458 [1,0,0,1,0,0|1,0,0]=3 613 B6R1.2 NC1CCCC1 TRXM00901 [1,0,0,1,0,0|1,0,1]=4 614 B6R1.2 NC1CCNC1 HR122368 [1,0,0,1,0,0|2,0,0]=4 615 B6R1.2 NC1CCNC1 HR122634 [1,0,0,1,0,0|2,0,0]=4 616 B6R1.2 NC1CCNC1 HR123574 [1,0,0,1,0,0|2,0,0]=4 617 B6R1.2 NC1CCNC1 HR123838 [1,0,0,1,0,0|2,0,0]=4 618 B6R1.2 NC1CCNC1 HR136682 [1,0,0,1,0,0|2,0,0]=4 619 B6R1.2 NC1CCNC1 HR136939 [1,0,0,1,0,0|2,0,0]=4 620 B6R1.2 NC1CCOC1 HR110868 [1,0,0,1,0,0|2,0,0]=4 621 B6R1.2 NC1CCOC1 HR119912 [1,0,0,1,0,0|2,0,0]=4 622 B6R1.2 NC1CCOC1 HR145986 [1,0,0,1,0,0|2,0,0]=4 623 B6R1.2 NC1CCOC1 HR15126 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.2 NC1CCOC1 HR15496 [1,0,0,1,0,0|2,0,0]=4 625 B6R1.2 NC1CCOC1 HR33445 [1,0,0,1,0,0|2,0,0]=4 626 B6R1.2 NC1CCOC1 HR33446 [1,0,0,1,0,0|2,0,0]=4 627 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,1,0,0|0,0,2]=4 628 B6R1.2 O=C1C=CCO1 HR119486 [1,0,0,1,0,0|1,0,1]=4 629 B6R1.2 O=C1CC=CC1 HR111189 [1,0,0,1,0,0|0,0,2]=4 630 B6R1.2 O=C1NCCO1 HR134554 [1,0,0,1,0,0|2,0,0]=4 631 B6R1.2 O=C1OCCO1 APSA06102 [1,0,0,1,0,0|2,0,0]=4 632 B6R1.2 OC1CC=CC1 HR30107 [1,0,0,1,0,0|0,0,0]=2 633 B6R1.2 OC1CCNC1 HR122348 [1,0,0,1,0,0|1,0,0]=3 634 B6R1.2 OC1CCNC1 HR128986 [1,0,0,1,0,0|1,0,0]=3 635 B6R1.2 OC1CCNC1 HR135087 [1,0,0,1,0,0|1,0,0]=3 636 B6R1.2 OC1CCNC1 HR137212 [1,0,0,1,0,0|1,0,0]=3 637 B6R1.2 OC1CCNC1 HR137477 [1,0,0,1,0,0|1,0,0]=3 638 B6R1.2 OC1CCNC1 HR138968 [1,0,0,1,0,0|1,0,0]=3 639 B6R1.2 OC1CCOC1 HR133245 [1,0,0,1,0,0|1,0,0]=3 640 B6R1.2 OC1CCOC1 HR137216 [1,0,0,1,0,0|1,0,0]=3 641 B6R1.2 OC1CCOC1 HR16209 [1,0,0,1,0,0|1,0,0]=3 642 B6R1.2 OC1CCOC1 HR7071 [1,0,0,1,0,0|1,0,0]=3 643 B6R1.2 OC1CCSC1 HR122102 [1,0,0,1,0,0|1,0,0]=3 644 B6R1.2 SC1CCCC1 HR134369 [1,0,0,1,0,0|0,1,1]=4 645 B6R1.3 BrCCC1CO1 HR120624 [1,0,0,1,0,0|1,0,1]=4 646 B6R1.3 CCCC1CO1 HR102110 [1,0,0,1,0,0|0,0,1]=3 647 B6R1.3 COCC1CO1 HR136178 [1,0,0,1,0,0|1,0,1]=4 648 B6R1.3 COCC1CO1 HR5856 [1,0,0,1,0,0|1,0,1]=4 649 B6R1.3 OCCC1CC1 HR144840 [1,0,0,1,0,0|0,0,1]=3 650 B6R1.6 BrCC1CCC1 HR23272 [1,0,0,1,0,0|1,0,1]=4 651 B6R1.6 BrCC1CCO1 HR114702 [1,0,0,1,0,0|1,0,1]=4 652 B6R1.6 ICC1CCC1 HR122084 [1,0,0,1,0,0|1,0,1]=4 653 B6R1.6 ICC1CCO1 HR118583 [1,0,0,1,0,0|1,0,1]=4 654 B6R1.6 NCC1CCC1 HR100695 [1,0,0,1,0,0|1,0,1]=4 655 B6R1.6 NCC1CCC1 HR102822 [1,0,0,1,0,0|1,0,1]=4 656 B6R1.6 NCC1CCN1 HR112034 [1,0,0,1,0,0|2,0,0]=4 657 B6R1.6 OCC1CCC1 HR133510 [1,0,0,1,0,0|0,0,1]=3 658 B6R1.6 OCC1CCN1 HR145899 [1,0,0,1,0,0|1,0,0]=3 659 B6R1.6 OCC1CNC1 HR118895 [1,0,0,1,0,0|1,0,1]=4 660 B6R1.6 OCC1COC1 HR110451 [1,0,0,1,0,0|1,0,1]=4 661 B8R1.2 CCC1CC=CCC1 HR100312 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.2 CCC1CNCCO1 HR145969 [0,1,0,1,0,0|0,0,2]=4 663 B8R1.2 CCC1CNCCO1 HR145970 [0,1,0,1,0,0|0,0,2]=4 664 B8R1.2 CCC1COCCN1 HR106331 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.2 CCC1COCCN1 HR116773 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.2 CCC1COCCN1 HR145882 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.2 CCC1COCCN1 HR17024 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.2 CCC1COCCN1 HR17027 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.2 COC1=CC=CCC1 HR140042 [0,1,0,1,0,0|0,0,2]=4 670 B8R1.2 COC1=CCCCC1 HR108356 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.2 COC1=CCOCC1 HR148879 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.2 COC1CCC=CO1 HR133471 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.2 COC1CCNCC1 HR124062 [0,1,0,1,0,0|1,0,1]=4 674 B8R1.2 N#CC1=CCCCO1 HR120057 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.2 NCC1CCCCO1 HR109315 [0,1,0,1,0,0|0,0,2]=4 676 B8R1.2 NCC1CNCCO1 HR108054 [0,1,0,1,0,0|1,0,1]=4 677 B8R1.2 NCC1COCCO1 HR115543 [0,1,0,1,0,0|1,0,1]=4 678 B8R1.2 O=CC1=CCCOC1 HR106218 [0,1,0,1,0,0|1,0,1]=4 679 B8R1.2 OCC1CC=CCC1 HR135429 [0,1,0,1,0,0|0,0,0]=2 680 B8R1.2 OCC1CCC=CO1 HR9703 [0,1,0,1,0,0|0,0,0]=2 681 B8R1.2 OCC1CCCCC1 HR3098 [0,1,0,1,0,0|0,0,2]=4 682 B8R1.2 OCC1CCCCN1 HR129497 [0,1,0,1,0,0|0,0,2]=4 683 B8R1.2 OCC1CCCCN1 HR150905 [0,1,0,1,0,0|0,0,2]=4 684 B8R1.2 OCC1CCCCN1 HR150906 [0,1,0,1,0,0|0,0,2]=4 685 B8R1.2 OCC1CCCCO1 HR9734 [0,1,0,1,0,0|0,0,2]=4 686 B8R1.2 OCC1CCCNC1 HR118055 [0,1,0,1,0,0|0,0,2]=4 687 B8R1.2 OCC1CCCNC1 HR118365 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.2 OCC1CCCNC1 HR125284 [0,1,0,1,0,0|0,0,2]=4 689 B8R1.2 OCC1CCCOC1 HR112012 [0,1,0,1,0,0|0,0,2]=4 690 B8R1.2 OCC1CCNCC1 HR130018 [0,1,0,1,0,0|0,0,2]=4 691 B8R1.2 OCC1CCOCC1 HR131711 [0,1,0,1,0,0|0,0,2]=4 692 B8R1.2 OCC1CCOCO1 HR137723 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.2 OCC1CNCCN1 HR107434 [0,1,0,1,0,0|1,0,1]=4 694 B8R1.2 OCC1CNCCN1 HR113041 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.2 OCC1CNCCN1 HR145898 [0,1,0,1,0,0|1,0,1]=4 696 B8R1.2 OCC1CNCCN1 HR145901 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.2 OCC1CNCCO1 HR105077 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.2 OCC1CNCCO1 HR115921 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.2 OCC1CNCCO1 HR145981 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.2 OCC1CNCCO1 HR148574 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.2 OCC1COCCN1 HR121096 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.2 OCC1COCCN1 HR121419 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.2 OCC1COCCN1 HR145988 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.2 OCC1COCCO1 HR104909 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.5 CC1CCCCC1=O HR128184 [0,1,0,1,0,0|1,0,1]=4 706 B8R1.5 CC1CCCCC1O HR10840 [0,1,0,1,0,0|0,0,2]=4 707 B8R1.5 CC1NCCNC1=O HR149053 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.5 CC1OCCNC1=O HR148881 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.5 NC1CCCCC1O HR105750 [0,1,0,1,0,0|0,0,2]=4 710 B8R1.5 NC1CCCCC1O HR106708 [0,1,0,1,0,0|0,0,2]=4 711 B8R1.5 NC1CCCCC1O HR106746 [0,1,0,1,0,0|0,0,2]=4 712 B8R1.5 NC1CCCCC1O HR108115 [0,1,0,1,0,0|0,0,2]=4 713 B8R1.5 NC1CCCCC1O HR14514 [0,1,0,1,0,0|0,0,2]=4 714 B8R1.5 NC1CCCCC1O HR146109 [0,1,0,1,0,0|0,0,2]=4 715 B8R1.5 NC1CCCCC1O HR146110 [0,1,0,1,0,0|0,0,2]=4 716 B8R1.5 NC1CCCCC1O HR146111 [0,1,0,1,0,0|0,0,2]=4 717 B8R1.5 NC1CCCCC1O HR146112 [0,1,0,1,0,0|0,0,2]=4 718 B8R1.5 NC1CCCCC1O HR148126 [0,1,0,1,0,0|0,0,2]=4 719 B8R1.5 OC1CCCCC1Cl HR136648 [0,1,0,1,0,0|0,0,2]=4 720 B8R1.5 OC1CCCCC1O HR136389 [0,1,0,1,0,0|0,0,2]=4 721 B8R1.5 OC1CCCCC1O HR140132 [0,1,0,1,0,0|0,0,2]=4 722 B8R1.5 OC1CCNCC1F HR151100 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.5 OC1CCOCC1F HR150480 [0,1,0,1,0,0|1,0,1]=4 724 B8R1.8 BrCCC1OCCO1 HR123687 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.8 CNCC1=CC=NO1 HR110883 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.8 COCC1CCCN1 HR112924 [0,1,0,1,0,0|1,0,1]=4 727 B8R1.8 COCC1CCCN1 HR118289 [0,1,0,1,0,0|1,0,1]=4 728 B8R1.8 CSCC1=CC=CO1 HR129428 [0,1,0,1,0,0|0,0,2]=4 729 B8R1.8 ClCCC1OCCO1 HR142758 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.8 NCCC1=CC=CO1 HR118527 [0,1,0,1,0,0|0,0,2]=4 731 B8R1.8 OCCC1=CC=CS1 HR126977 [0,1,0,1,0,0|0,0,2]=4 732 B8R1.8 OCCC1=CNC=N1 HR138319 [0,1,0,1,0,0|1,0,1]=4 733 B8R1.8 OCCC1=CNN=C1 HR121047 [0,1,0,1,0,0|1,0,1]=4 734 B8R1.8 OCCC1=CON=C1 HR106040 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.8 OCCC1=CSC=C1 HR122222 [0,1,0,1,0,0|0,0,2]=4 736 B8R1.8 OCCC1CCCC1 HR111073 [0,1,0,1,0,0|0,0,2]=4 737 B8R1.8 OCCC1CCCN1 HR100505 [0,1,0,1,0,0|0,0,2]=4 738 B8R1.8 OCCC1CCNC1 HR146149 [0,1,0,1,0,0|0,0,2]=4 739 B8R1.8 OCCC1CCNC1 HR146150 [0,1,0,1,0,0|0,0,2]=4 740 B8R1.8 OCCC1CCNC1 HR146151 [0,1,0,1,0,0|0,0,2]=4 741 B8R1.8 OCCN1C=CN=C1 HR137262 [0,1,0,1,0,0|1,0,1]=4 742 B8R1.8 OCCN1CCCC1 HR132675 [0,1,0,1,0,0|0,0,2]=4 743 B8R1.11 CC1=C(CO)SC=C1 HR109280 [0,1,0,1,0,0|0,0,2]=4 744 B8R1.11 CCN1CCCC1=O HR134739 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.11 CN1C=CN=C1CO HR9047 [0,1,0,1,0,0|1,0,1]=4 746 B8R1.11 CN1C=NC=C1CO HR137103 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.11 CN1CCCC1CO HR103689 [0,1,0,1,0,0|0,0,2]=4 748 B8R1.11 CN1CCCC1CO HR123222 [0,1,0,1,0,0|0,0,2]=4 749 B8R1.11 CN1CCCC1CO HR137677 [0,1,0,1,0,0|0,0,2]=4 750 B8R1.11 CN1N=CC=C1CO HR113473 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.11 NC1CCCC1CO HR120947 [0,1,0,1,0,0|0,0,2]=4 752 B8R1.22 NC1CC=CCCC1 HR120578 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.22 NC1CCCOCC1 HR105429 [0,1,0,1,0,0|0,0,2]=4 754 B8R1.22 O=C1C=CCCCC1 HR146270 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.22 O=C1CCCCCN1 HR129512 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.22 O=C1CCCCCO1 HR107144 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.22 O=C1CCCCCO1 HR120205 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.22 O=C1CCCNCC1 HR107777 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.22 O=C1CCCNCC1 HR136701 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.22 O=C1CCNCCN1 HR101958 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.22 O=C1CCNCCN1 HR113359 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.22 OC1CCCCCC1 HR122711 [0,1,0,1,0,0|0,0,2]=4 763 B8R1.22 OC1CCCNCC1 HR110756 [0,1,0,1,0,0|0,0,2]=4 764 B8R1.36 BrCCCCC1CO1 HR120937 [0,1,0,1,0,0|0,0,2]=4 765 B8R1.36 CCCCCC1CO1 HR111230 [0,1,0,1,0,0|0,0,2]=4 766 B8R1.36 CCCCCC1CO1 HR111540 [0,1,0,1,0,0|0,0,2]=4 767 B8R1.49 C1=CCCC=CCC1 HR106080 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.49 C1=CCCC=CCC1 HR106857 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.49 C1=CCCC=CCC1 HR107557 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.49 C1=CCCC=CCC1 HR119511 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.49 C1=CCCC=CCC1 HR120534 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.49 C1=CCCC=CCC1 HR126489 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.49 C1=CCCC=CCC1 HR127023 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.49 C1=CCCC=CCC1 HR127502 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.49 C1=CCCC=CCC1 HR132834 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.49 C1=CCCC=CCC1 HR134129 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.49 C1=CCCC=CCC1 HR139211 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.49 C1=CCCC=CCC1 HR142018 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.1 CC1=CC=C(CO)O1 HR141630 [0,1,0,1,0,0|0,0,2]=4 780 B8R1.1 CCC1=CCC(C)=C1 HR108113 [0,1,0,1,0,0|1,0,1]=4 781 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.1 CCN1CCC(O)C1 HR103620 [0,1,0,1,0,0|1,0,1]=4 783 B8R1.1 CN1CCC(CO)C1 HR119306 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.1 NC1C=CC(CO)C1 HR110491 [0,1,0,1,0,0|0,0,0]=2 785 B8R1.1 NC1C=CC(CO)C1 HR127783 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.1 O=C1C=CC(CO)O1 HR108465 [0,1,0,1,0,0|1,0,1]=4 787 B8R1.1 O=C1C=CC(CO)O1 HR7063 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.1 OCC1CC(F)CN1 HR118791 [0,1,0,1,0,0|1,0,1]=4 797 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,1,0,1,0,0|0,0,2]=4 798 B8R1.3 CC1CCC(=O)CC1 HR123899 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.3 CC1CCC(O)CC1 HR102432 [0,1,0,1,0,0|0,0,2]=4 800 B8R1.3 CC1CCC(O)CC1 HR142762 [0,1,0,1,0,0|0,0,2]=4 801 B8R1.3 CC1COC(C)CN1 HR146120 [0,1,0,1,0,0|1,0,1]=4 802 B8R1.3 CC1COC(C)CN1 HR146121 [0,1,0,1,0,0|1,0,1]=4 803 B8R1.3 CN1CCC(O)CC1 HR123786 [0,1,0,1,0,0|1,0,1]=4 804 B8R1.3 CN1CCC(O)CC1 HR129386 [0,1,0,1,0,0|1,0,1]=4 805 B8R1.3 NC1CCC(=O)CC1 HR108450 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.3 NC1CCC(=O)NC1 HR114241 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.3 NC1CCC(O)CC1 HR106375 [0,1,0,1,0,0|0,0,2]=4 808 B8R1.3 NC1CCC(O)CC1 HR108164 [0,1,0,1,0,0|0,0,2]=4 809 B8R1.3 NC1CCC(O)CC1 HR111079 [0,1,0,1,0,0|0,0,2]=4 810 B8R1.3 NC1CCC(O)CC1 HR146550 [0,1,0,1,0,0|0,0,2]=4 811 B8R1.3 NC1CCC(O)CC1 VOJL00905 [0,1,0,1,0,0|0,0,2]=4 812 B8R1.3 NN1CCC(O)CC1 HR113294 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.3 O=C1CCC(O)CC1 HR132671 [0,1,0,1,0,0|0,0,1]=3 814 B8R1.3 O=C1CCC(O)CN1 HR104378 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.3 OC1CCC(Cl)CC1 HR140569 [0,1,0,1,0,0|0,0,2]=4 816 B8R1.3 OC1CCC(O)CC1 HR124198 [0,1,0,1,0,0|0,0,2]=4 817 B8R1.3 OC1CCC(O)CC1 HR143769 [0,1,0,1,0,0|0,0,2]=4 818 B8R1.50 O=C1OCC(O)C1O HR120212 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.52 NC1(CO)CCCC1 HR105910 [0,1,0,1,0,0|0,0,2]=4 820 B8R1.52 OCC1(F)CCCC1 HR34071 [0,1,0,1,0,0|0,0,2]=4 821 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,1,0,1,0,0|1,0,1]=4 822 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,1,0,1,0,0|1,0,1]=4 823 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,1,0,1,0,0|1,0,1]=4 824 B8R1.4 CC1CC(O)CCO1 HR120725 [0,1,0,1,0,0|0,0,2]=4 825 B8R1.4 CC1CC(O)CCO1 HR121039 [0,1,0,1,0,0|0,0,2]=4 826 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.4 CC1CNCC(C)O1 HR130869 [0,1,0,1,0,0|1,0,1]=4 828 B8R1.4 CC1CNCC(C)O1 HR133276 [0,1,0,1,0,0|1,0,1]=4 829 B8R1.4 CC1CNCC(C)O1 HR145914 [0,1,0,1,0,0|1,0,1]=4 830 B8R1.4 CC1CNCC(C)O1 HR145915 [0,1,0,1,0,0|1,0,1]=4 831 B8R1.4 CN1CCC=C(Br)C1 HR149222 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.4 CN1CCCC(O)C1 HR119067 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.4 NC1CCCC(O)C1 HR12673 [0,1,0,1,0,0|0,0,2]=4 834 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.4 O=C1CC(O)CCN1 HR110819 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.4 OC1CCCC(O)C1 HR133806 [0,1,0,1,0,0|0,0,2]=4 838 B8R1.7 CC(C)C1=CC=CO1 HR128818 [0,1,0,1,0,0|0,0,2]=4 839 B8R1.7 CC(O)C1=CC=CO1 HR110830 [0,1,0,1,0,0|0,0,2]=4 840 B8R1.7 O=C(O)C1C=CCN1 HR105555 [0,1,0,1,0,0|1,0,1]=4 841 B8R1.7 O=C(O)C1C=CCN1 HR117236 [0,1,0,1,0,0|1,0,1]=4 842 B8R1.72 CC1(C)CNCCO1 HR101922 [0,1,0,1,0,0|1,0,1]=4 843 B8R1.72 CC1(C)CNCCO1 HR122095 [0,1,0,1,0,0|1,0,1]=4 844 B8R1.72 CC1(O)CCCCC1 HR107824 [0,1,0,1,0,0|0,0,2]=4 845 B8R1.72 CC1(O)CCNCC1 TOSA04610 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.72 CC1(O)CCOCC1 HR148162 [0,1,0,1,0,0|1,0,1]=4 847 B8R1.18 CC1=CC(=O)OC1O HR135109 [0,1,0,1,0,0|1,0,1]=4 848 B8R1.37 CCCC(=O)C1CC1 HR116824 [0,1,0,1,0,0|1,0,1]=4 849 B8R1.37 CCOC(=O)C1CC1 HR132331 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.37 CCOC(=O)C1CO1 HR117347 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.37 CCOC(=O)C1CO1 HR119319 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.37 C\C=C\C(=O)C1CC1 HR116501 [0,1,0,1,0,0|1,0,1]=4 853 B8R2.34 C1=CC2CC1CN2 HR146010 [0,0,0,2,0,0|1,0,0]=3 854 B8R2.34 C1=CC2CCC1C2 HR140035 [0,0,0,2,0,0|1,0,0]=3 855 B8R2.34 C1OC2CNC1C2 HR117094 [0,0,0,2,0,0|1,0,1]=4 856 B8R2.34 C1OC2CNC1C2 HR117328 [0,0,0,2,0,0|1,0,1]=4 857 B8R2.34 C1OC2CNC1C2 HR120312 [0,0,0,2,0,0|1,0,1]=4 858 B8R2.18 OC1CC2CC2C1 HR145840 [0,0,0,2,0,0|0,0,2]=4 859 B8R2.23 C1NCC2CC1O2 HR145936 [0,0,0,2,0,0|1,0,1]=4