0 B7R0.4 C#CCCCC(=O)O HR119998 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCCCC(=O)O HR110118 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=C\C=C\OC(C)=O HR141489 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.4 CC(=O)CCCCBr HR125447 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CC(=O)CCCCCl HR124124 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 CC(=O)OCCCCl HR130837 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.4 CC(C)CCCCBr HR119057 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CC(C)CCCCO HR145339 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CC(C)OCCCCl HR125103 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CC(C)OCCCN HR136075 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 CC(O)CCCCO HR100920 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 CCCCCB(O)O HR142127 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 CCCCCC(C)Br HR136114 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 CCCCCC(C)O HR113580 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.4 CCCCCC(C)O HR113894 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.4 CCCCCC(C)O HR133526 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.4 CCCCNC(N)=O HR125670 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.4 CCCCOC(N)=O HR123655 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.4 CCCCO[P+](=O)O HR109028 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.4 CCCOCC(C)O HR142954 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,0,0,0,0,0|1,0,1]=2 21 B7R0.4 CCOCC=C(C)C HR111947 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.4 CCO[SiH2]C=C(C)C HR136449 [0,0,0,0,0,0|3,1,0]=4 23 B7R0.4 CCO\C=C\C(=O)Cl HR144705 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.4 CN(C)CCCCN HR106772 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.4 N#CCCCC(=O)O HR118843 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 NC(=O)COCCCl HR115417 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.4 NCCCCC(=O)O HR127046 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.4 NCCCCC(=O)O HR139651 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 O=C(Cl)CCCCBr HR138251 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.4 O=C(Cl)CCCCCl HR135830 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.4 O=C(Cl)OCCCCl HR136628 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.4 O=C(O)CCCCBr HR127598 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.4 O=C(O)CCCCCl HR127871 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.4 O=C(O)COCCCl HR100767 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.4 O=S(Cl)OCCCF HR101826 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.4 C#CCCC(=O)O HR101408 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 C#CCOC(=O)Cl HR143650 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.4 C=C(C)CNCC HR128262 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.4 C=CCCC(=O)Cl HR106043 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 C=CCCC(=O)O HR128583 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.4 C=CCOC(C)=S HR100810 [1,0,0,0,0,0|0,1,2]=4 44 B6R0.4 CC(=O)CCCBr HR147487 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.4 CC(=O)CCCCl HR100024 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.4 CC(=O)CCCO HR136959 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.4 CC(=O)NCCN HR128075 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 CC(=O)NCCO HR100613 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 CC(=O)OCCBr HR131354 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.4 CC(Br)CCCBr HR123815 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CC(C)CCCBr HR133659 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CC(O)CCCO HR139458 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.4 CCCCB(O)O HR137738 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 CCCCC(=O)Cl HR147689 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.4 CCCCC(=O)[O-] HR143929 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.4 CCCCC(C)N HR107080 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.4 CCCCC(C)O HR113264 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.4 CCCCC(C)O HR141634 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.4 CCCCC(N)=O HR110039 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.4 CCCCN(C)C HR124181 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CCCC[Sn](=O)O HR135371 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CCCNC(N)=S HR109524 [1,0,0,0,0,0|2,1,0]=4 63 B6R0.4 CCCSC(C)=O HR137881 [1,0,0,0,0,0|0,1,0]=2 64 B6R0.4 CCNCC(=O)O HR105131 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.4 CCOCC(=O)O HR123178 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.4 CN(C)CCCBr HR107607 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.4 CN(C)CCCBr HR147342 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.4 CN(C)CCCCl HR109407 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.4 CN(C)CCCCl HR137097 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CN(C)CCCS HR107362 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.4 CNCCC(=O)O HR100194 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 COCCC(C)O HR129774 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 CO\C=C\C(C)=O HR138997 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.4 CSCCC(C)=O HR133952 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.4 N#CCCC(=O)O HR103469 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.4 NCCCC(=O)O HR130958 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 O=C(Cl)CCCBr HR102428 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 O=C(Cl)CCCCl HR129406 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.4 O=C(Cl)OCCCl HR132842 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.4 O=C(Cl)OCCCl HR17418 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.4 O=C(O)CCCBr HR131673 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.4 O=C(O)CCCCl HR120152 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 O=CCCC(=O)O HR134907 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 C#CCCCC=O VIJL03309 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.6 C=CCCCCBr HR137464 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 C=CCCCCCl HR113553 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.6 C=CCCCCN HR143196 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.6 C=CCCCCO HR120838 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 C=CCSCCC HR130566 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.6 C=COCCCC PAJB01004 [1,0,0,0,0,0|0,0,1]=2 91 B6R0.6 C=COCCON SESA05511 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.6 CCCCCCI HR101787 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.6 CCCCCCO HR108609 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.6 CCCCCCO HR127298 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.6 CCCCCC[SiH3] HR107072 [1,0,0,0,0,0|1,1,1]=4 96 B6R0.6 CCCCCNC HR128731 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.6 CCCCC[Mg]Br HR116206 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.6 CCCCC[Mg]Cl HR115571 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.6 CCCCN=C=S HR144405 [1,0,0,0,0,0|1,1,1]=4 100 B6R0.6 CCCCNCC HR125662 [1,0,0,0,0,0|1,0,1]=3 101 B6R0.6 CCCCOCCl HR132357 [1,0,0,0,0,0|1,0,1]=3 102 B6R0.6 CCCCSC#N HR137924 [1,0,0,0,0,0|1,1,1]=4 103 B6R0.6 CCCCS[SnH]=O HR100704 [1,0,0,0,0,0|1,1,0]=3 104 B6R0.6 CCCC[Mg]CC HR115887 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.6 CCCSSCC HR130845 [1,0,0,0,0,0|1,1,1]=4 106 B6R0.6 CCCSSSC HR130630 [1,0,0,0,0,0|2,1,0]=4 107 B6R0.6 CCC\C=C\C=O HR127670 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.6 CCNCCCN HR100502 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.6 CCOCCC#N HR132950 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.6 CCOCCCCl HR124824 [1,0,0,0,0,0|1,0,1]=3 111 B6R0.6 CCOCCCN HR100101 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.6 CCOCCCO HR128209 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.6 CCOCOCC HR147607 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.6 CCO[Mg]OCC HR128992 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.6 CCO[SiH2]OCC HR117502 [1,0,0,0,0,0|1,1,1]=4 116 B6R0.6 CNCCCNC HR133916 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.6 COCCCCBr HR131929 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.6 COCCCCCl HR130420 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.6 COCCCCN HR141637 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.6 COCCCCO HR129257 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.6 COCCCOC HR127938 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.6 COCCOCCl HR126799 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 C\C=C\CCCC HR145495 [1,0,0,0,0,0|1,0,0]=2 124 B6R0.6 C\C=C\CCCO HR110400 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.6 C\C=C\CCCO HR111291 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.6 O=C=NCCCCl HR108117 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 O=CCCCC=O HR141217 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 O=CCCCCCl HR119509 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.6 O=CCCCCO HR116282 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.6 O=CCOCCO HR117228 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.6 [Li]CCCCCC HR142102 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.5 CCOC(=O)CC(C)=O BRSA08315 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.5 CCOC(=O)CC(C)=O HR134952 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.5 CCOC(C)OC(C)=O HR121743 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.5 COCC(=O)CC(C)=O HR134533 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.5 COCC(C)OC(C)=O HR138591 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.6 C=CC(=O)CCCCC HR128010 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.6 C=CC(=O)OCCC#N HR142546 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.6 C=CC(=O)OCCOC HR136408 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.6 CCCCCC(=O)CI HR120235 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.6 CCCCCC(=O)SC HR105293 [0,1,0,0,0,0|1,0,0]=2 142 B8R0.6 CCCCCC(O)CC HR112896 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.6 CCCCCC(O)CC HR113840 [0,1,0,0,0,0|1,0,2]=4 144 B8R0.6 CCCCNC(=O)CCl HR147680 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.6 CCCCOC(=O)CO HR135884 [0,1,0,0,0,0|0,0,0]=1 146 B8R0.6 CCCCOC(=O)CS HR123589 [0,1,0,0,0,0|0,0,0]=1 147 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.6 COC(=O)CCCCBr HR132792 [0,1,0,0,0,0|2,0,0]=3 150 B8R0.6 COC(=O)CCCCCl HR117426 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.6 COC(=O)COCCCl HR118852 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.6 COCCCC(=O)OC HR115734 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.7 C#CCCCCC(=O)O HR102532 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.7 C=CCCCOC(C)=O HR143247 [0,1,0,0,0,0|0,0,1]=2 155 B8R0.7 CC(=O)NCCCCN HR118654 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.7 CC(=O)OCCCCBr HR131090 [0,1,0,0,0,0|0,0,0]=1 157 B8R0.7 CC(=O)OCCCCCl HR122635 [0,1,0,0,0,0|0,0,0]=1 158 B8R0.7 CC(C)CCCCCO HR101450 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.7 CC(C)CCCCCO HR144906 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.7 CC(C)NCCCCO HR143381 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.7 CCCCCCC(=O)Cl HR135566 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.7 CCCCCCC(=O)[O-] HR123614 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.7 CCCCCCC(C)=O HR138624 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.7 CCCCCCC(C)Br HR126862 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.7 CCCCCCC(C)N HR132596 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.7 CCCCCCC(C)N HR139394 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.7 CCCCCCC(C)O HR125954 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.7 CCCCCCC(C)O HR128561 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.7 CCCCCCC(C)O HR132915 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.7 CCCCCCC(C)O HR133230 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.7 CCCCCCC(C)S HR114461 [0,1,0,0,0,0|1,1,1]=4 172 B8R0.7 CCCCCOC(=O)Cl HR137197 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.7 CCCCOCC(=O)O HR124559 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.7 CCCCOCC(C)O HR132803 [0,1,0,0,0,0|0,0,2]=3 175 B8R0.7 CCOCCOC(=O)Cl HR139845 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.7 COCCOCC(=O)O HR131950 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.7 CSCCCOC(C)=O HR130302 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.7 N=C(N)NCCCCN HR135389 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.7 NCCCCCC(=O)O HR123389 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.7 NCCCCCC(=O)O HR140316 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.7 O=C(Cl)CCCCCBr HR130949 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.7 O=C(Cl)CCCCCCl HR101723 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.7 O=C(O)CCCCCBr HR131936 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.7 O=C(O)CCCCCCl HR131336 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.8 C=C(C)C(=O)OCCC HR115069 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.8 CCCCC(=O)C(C)=O HR133012 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.8 CCCCC(Br)C(=O)O HR127260 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.8 CCCCC(C)C(=O)O HR121647 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.8 CCCCC(N)C(=O)O HR133839 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.8 CCCCC(N)C(=O)O HR134634 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.8 CCCCC(N)C(=O)O HR134894 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.8 CSCCC(N)C(=O)O HR100026 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.8 CSCCC(N)C(=O)O HR123144 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.8 CSCCC(N)C(=O)O HR123406 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.8 CSCCC(N)C(=O)O HR132929 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.8 CSCCC(N)C(=O)O HR137287 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.8 CSCCC(N)C(N)=O HR114117 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.8 CSCCC(N)[13C](=O)O HR140512 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.8 CSCCC(O)C(=O)O HR136742 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.8 CSCCC(O)C(=O)[O-] HR118219 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.8 C[35S]CCC(N)C(=O)O HR143199 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.8 C[Se]CCC(N)C(=O)O HR129810 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.8 NC(CCCO)C(=O)O HR114281 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.8 NCCCC(N)C(=O)O HR123396 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.8 NCCCC(N)C(=O)O HR123926 [0,1,0,0,0,0|3,0,0]=4 206 B8R0.8 NCCCC(N)C(=O)O HR124308 [0,1,0,0,0,0|3,0,0]=4 207 B8R0.8 NCCCC(N)C(=O)O HR135672 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.8 NCCCC(N)C(=O)O HR142321 [0,1,0,0,0,0|3,0,0]=4 209 B8R0.8 NCCCC(N)C(=O)O HR143440 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.8 NCCCC(N)C(=O)O ORJL01301 [0,1,0,0,0,0|3,0,0]=4 211 B8R0.9 C#CC(C)CNC(C)=O HR123193 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.9 CC(=O)OCC(O)CO HR119576 [0,1,0,0,0,0|1,0,0]=2 213 B8R0.9 CCC(=O)CCC(C)=O HR121178 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.9 CCC(C)CCC(C)N HR118585 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.9 CCC(C)COC(=O)Cl HR143745 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.9 CCC(C)COC(C)=O HR104042 [0,1,0,0,0,0|0,0,0]=1 217 B8R0.9 CCC(C)COC(C)=O HR112686 [0,1,0,0,0,0|0,0,0]=1 218 B8R0.9 COC(C)COC(C)=O HR143173 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.21 CCCCCS(=O)(=O)Cl HR110757 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.21 CCCCCS(=O)(=O)[O-] HR127418 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.21 CCCCCS(=O)(=O)[O-] HR134915 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.21 CCCCOS(C)(=O)=O HR131554 [0,1,0,0,0,0|1,0,0]=2 223 B8R0.21 COCCOS(C)(=O)=O HR110624 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.21 NCCCOP(=O)([O-])[O-] HR10480 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,1,0,0,0,0|1,0,2]=4 226 B8R0.28 CC(=O)CCCC(C)C HR145408 [0,1,0,0,0,0|1,0,0]=2 227 B8R0.28 CC(=O)OCC=C(C)C HR128839 [0,1,0,0,0,0|0,0,2]=3 228 B8R0.28 CC(=O)O[Cr]OC(C)=O HR101689 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.28 CC(=O)O[Cu]OC(C)=O HR147597 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.28 CC(=O)O[PbH2]OC(C)=O HR100545 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.28 CC(=O)O[Rh]OC(C)=O HR115559 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.28 CC(=O)O[Rh]OC(C)=O HR132892 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.28 CC(C)CCCC(C)N HR128847 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.28 CC(C)CCOC(=O)Cl HR143844 [0,1,0,0,0,0|1,0,0]=2 235 B8R0.28 CC(O)CCCC(C)O HR143862 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.1 C=CC1COC(=O)O1 HR135385 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.1 CCN1CCC(=O)C1 HR113880 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.1 O=C1NC(CI)CO1 HR146345 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.1 O=C1NCC(CCl)O1 HR101243 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.1 O=C1NCC(CCl)O1 HR105324 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,0,0,1,0,0|1,0,2]=4 252 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.4 CC1CC(O)CCO1 HR120725 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.4 CC1CC(O)CCO1 HR121039 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,0,0,1,0,0|1,0,0]=2 257 B8R1.4 CC1CCCC(C)C1 HR101015 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.4 CC1CCCC(C)N1 HR120277 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.4 CC1CCCC(C)N1 HR140810 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.4 CC1CCCC(N)C1 HR115864 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.4 CC1CCNC(C)C1 HR147221 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.4 CN1CCC=C(Br)C1 HR149222 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.4 O=C1CC(O)CCN1 HR110819 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.7 CC(=O)C1=NCCS1 HR130371 [0,0,0,1,0,0|3,0,0]=4 271 B8R1.7 CC(=O)C1CCCC1 HR120520 [0,0,0,1,0,0|1,0,0]=2 272 B8R1.7 NC(=O)C1CCCN1 HR112229 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.7 NC(=O)C1CCCN1 HR120776 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.7 NC(=O)C1CCCN1 HR125014 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.7 NC(=O)C1CCCN1 HR125279 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.7 NC(=O)C1CCCN1 HR133421 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.7 NC(=O)C1CCCN1 HR145038 [0,0,0,1,0,0|3,0,0]=4 278 B8R1.7 NC(=O)C1CCNC1 HR105323 [0,0,0,1,0,0|3,0,0]=4 279 B8R1.7 O=C(Cl)C1CCCC1 HR129546 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.7 O=C(Cl)N1CCCC1 HR142080 [0,0,0,1,0,0|2,0,0]=3 281 B8R1.7 O=C(O)C1CCCC1 HR124454 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.7 O=C(O)C1CCCN1 HR122958 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.7 O=C(O)C1CCCN1 HR136921 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.7 O=C(O)C1CCCN1 HR142963 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.7 O=C(O)C1CCCN1 SASA03107 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.7 O=C(O)C1CCCO1 HR129714 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.7 O=C(O)C1CCCO1 HR135878 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.7 O=C(O)C1CCCO1 HR136153 [0,0,0,1,0,0|3,0,0]=4 289 B8R1.7 O=C(O)C1CCNC1 HR110045 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.7 O=C(O)C1CCNC1 HR124075 [0,0,0,1,0,0|3,0,0]=4 291 B8R1.7 O=C(O)C1CCNC1 HR139411 [0,0,0,1,0,0|3,0,0]=4 292 B8R1.7 O=C(O)C1CCNC1 HR16223 [0,0,0,1,0,0|3,0,0]=4 293 B8R1.7 O=C(O)C1CCOC1 HR109306 [0,0,0,1,0,0|3,0,0]=4 294 B8R1.7 O=C(O)C1CCOC1 HR110235 [0,0,0,1,0,0|3,0,0]=4 295 B8R1.7 O=C(O)C1CCOC1 HR111915 [0,0,0,1,0,0|3,0,0]=4 296 B8R1.7 S=C([S-])N1CCCC1 HR129801 [0,0,0,1,0,0|2,1,0]=4 297 B8R1.19 CC1CCOS1(=O)=O HR121223 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.22 BrC1CCCCCC1 HR128104 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,0,1,0,0|1,0,1]=3 300 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,0,1,0,0|1,0,0]=2 301 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,0,1,0,0|0,0,0]=1 302 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,0,1,0,0|0,0,0]=1 303 B8R1.22 O=C1CCCNCC1 HR107777 [0,0,0,1,0,0|2,0,0]=3 304 B8R1.22 O=C1CCCNCC1 HR136701 [0,0,0,1,0,0|2,0,0]=3 305 B8R1.22 O=C1CCNCCN1 HR101958 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.22 O=C1CCNCCN1 HR113359 [0,0,0,1,0,0|2,0,0]=3 307 B8R1.22 OC1CCCCCC1 HR122711 [0,0,0,1,0,0|1,0,2]=4 308 B8R1.34 O=C(O)CC1CCC1 HR133624 [0,0,0,1,0,0|2,0,0]=3 309 B8R1.34 O=C(O)CC1COC1 HR145748 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.35 O=C(O)CCC1CC1 HR105458 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.36 CCCCCC1CO1 HR111230 [0,0,0,1,0,0|1,0,2]=4 312 B8R1.36 CCCCCC1CO1 HR111540 [0,0,0,1,0,0|1,0,2]=4 313 B8R1.72 CC1(C)CNCCO1 HR101922 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.72 CC1(C)CNCCO1 HR122095 [0,0,0,1,0,0|2,0,1]=4 315 B8R1.72 CC1(O)CCCCC1 HR107824 [0,0,0,1,0,0|1,0,2]=4 316 B8R1.72 C[N+]1(C)CCCCC1 HR132856 [0,0,0,1,0,0|3,0,0]=4 317 B8R1.72 C[N+]1(C)CCCCC1 HR144058 [0,0,0,1,0,0|3,0,0]=4 318 B8R1.72 C[Si]1(C)CCCCO1 HR105989 [0,0,0,1,0,0|1,1,0]=3 319 B8R1.72 O=S1(=O)CCCCN1 HR32664 [0,0,0,1,0,0|3,0,0]=4 320 B8R1.72 O=S1(=O)OCCCO1 HR134600 [0,0,0,1,0,0|3,0,0]=4 321 B5R0.1 C=C(C)CCO HR139358 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 C=C(C)OCC HR135003 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.1 CC(=O)CCCl HR106274 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.1 CC(=O)CCO HR131203 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.1 CC(=O)NCO HR105862 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.1 CC(=O)OC=O HR100841 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.1 CC(=O)OCBr HR127457 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.1 CC(=O)OCCl HR101207 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.1 CCCC(=N)N HR126811 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.1 CCCC(=O)Cl HR147587 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.1 CCCC(=O)[O-] HR129884 [2,0,0,0,0,0|1,0,0]=3 332 B5R0.1 CCCC(=O)[O-] HR137474 [2,0,0,0,0,0|1,0,0]=3 333 B5R0.1 CCCC(C)Cl HR139357 [2,0,0,0,0,0|1,0,1]=4 334 B5R0.1 CCCC(C)N HR107397 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.1 CCCC(C)O HR136841 [2,0,0,0,0,0|0,0,2]=4 336 B5R0.1 CCCC(C)O HR137349 [2,0,0,0,0,0|0,0,2]=4 337 B5R0.1 CCCC(C)S HR128554 [2,0,0,0,0,0|0,1,1]=4 338 B5R0.1 CCCC(N)=O HR137715 [2,0,0,0,0,0|1,0,0]=3 339 B5R0.1 CCNC(C)=O HR100775 [2,0,0,0,0,0|1,0,0]=3 340 B5R0.1 CCNC(N)=O HR126748 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 CCOC(=N)N HR110036 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 CCOC(=O)Cl IVSA07702 [2,0,0,0,0,0|1,0,0]=3 343 B5R0.1 CCOC(=S)[S-] HR127593 [2,0,0,0,0,0|1,1,0]=4 344 B5R0.1 CCOC(C)=N HR126641 [2,0,0,0,0,0|1,0,0]=3 345 B5R0.1 CCOC(N)=O HR123919 [2,0,0,0,0,0|1,0,0]=3 346 B5R0.1 CCSC(C)=O HR138399 [2,0,0,0,0,0|0,1,0]=3 347 B5R0.1 CCSC(C)=S HR129552 [2,0,0,0,0,0|0,2,0]=4 348 B5R0.1 CNCC(=O)O HR132326 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.1 CNCC(=O)[O-] HR133335 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 COCC(=O)Cl HR138385 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 COCC(=O)O HR137614 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.1 COCC(C)=O HR124731 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.1 CSCC(C)=O HR104929 [2,0,0,0,0,0|1,0,0]=3 354 B5R0.1 CSCC(N)=O HR105921 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 NC(=O)CCO HR101159 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.1 NCCC(=O)O HR120135 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.1 NCCC(=O)O HR136538 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.1 NCCC(N)=O HR123050 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.1 O=C(Cl)CCBr HR132550 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.1 O=C(Cl)CCCl HR125686 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.1 O=C(O)CCBr HR146768 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 O=C(O)CCI HR118002 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.1 O=C(O)CCO HR12598 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.1 O=C(O)CCS BACQ02107 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 C=CCCCBr HR138516 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.2 C=CCCCN HR114551 [2,0,0,0,0,0|1,0,1]=4 367 B5R0.2 C=CCCCO HR127694 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.2 C=COCCC HR122922 [2,0,0,0,0,0|0,0,1]=3 369 B5R0.2 C=COCCO HR122391 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.2 CCCCSC HR128739 [2,0,0,0,0,0|0,1,0]=3 371 B5R0.2 CCCC[Mg]Cl HR114410 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.2 CCCNCC HR129859 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.2 CCCSCC HR131098 [2,0,0,0,0,0|0,1,1]=4 374 B5R0.2 CCCSSC HR127587 [2,0,0,0,0,0|1,1,0]=4 375 B5R0.2 CCOCCBr HR147270 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.2 CCOCCCl HR125621 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.2 CCOCCN HR133098 [2,0,0,0,0,0|1,0,1]=4 378 B5R0.2 CCOCCN HR141597 [2,0,0,0,0,0|1,0,1]=4 379 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|0,0,2]=4 380 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|0,0,2]=4 381 B5R0.2 CNCCCN HR127543 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.2 CNCCNC HR134870 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.2 COCCC#N HR131327 [2,0,0,0,0,0|1,0,1]=4 384 B5R0.2 COCCCBr HR11240 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.2 COCCCCl HR128474 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.2 COCCCN HR131273 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.2 COCCCO HR1936 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.2 COCCOC HR147135 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.2 CSCCCCl HR118093 [2,0,0,0,0,0|1,1,0]=4 390 B5R0.2 C\C=C\CCC HR121014 [2,0,0,0,0,0|0,0,1]=3 391 B5R0.2 C\C=C\OCC HR128979 [2,0,0,0,0,0|1,0,1]=4 392 B5R0.2 N#CCCC=O HR111731 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.2 O=CCCC=O HR100601 [2,0,0,0,0,0|1,0,1]=4 394 B5R0.2 O=COCCO HR145529 [2,0,0,0,0,0|1,0,0]=3 395 B7R0.2 CC(=O)OC(Br)CBr HR133286 [1,1,0,0,0,0|1,0,0]=3 396 B7R0.2 CC(=O)OC(Cl)CCl HR133017 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.2 CCC(=O)CC(C)=O HR133940 [1,1,0,0,0,0|0,0,1]=3 398 B7R0.2 CCC(C)CC(=O)O HR11273 [1,1,0,0,0,0|1,0,0]=3 399 B7R0.2 CCC(C)CC(=O)O HR135865 [1,1,0,0,0,0|1,0,0]=3 400 B7R0.2 CCC(C)CC(C)N HR121358 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.2 CCC(C)CC(C)N HR123488 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.2 CCC(C)NC(N)=O HR114250 [1,1,0,0,0,0|2,0,0]=4 403 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.2 CCC(N)CC(=O)O HR114631 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.2 CCC(N)CC(=O)O HR143295 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.2 CCC(N)CC(=O)O HR147022 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.2 CNC(=O)CC(C)=O HR100837 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.2 COC(=O)CC(C)=O TECQ03701 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.2 NCC(O)CC(=O)O HR137304 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.3 C=CC(=O)OCCC HR144889 [1,1,0,0,0,0|0,0,1]=3 412 B7R0.3 C=CC(=O)OCCO HR125757 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.3 C=CCOC(=O)CBr HR103697 [1,1,0,0,0,0|0,0,2]=4 414 B7R0.3 C=CCOC(=O)CCl HR132199 [1,1,0,0,0,0|0,0,2]=4 415 B7R0.3 CCCCC(=O)NN HR113250 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.3 CCCCC(Br)CBr HR101739 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.3 CCCCC(O)CC HR100535 [1,1,0,0,0,0|0,0,2]=4 418 B7R0.3 CCCCC(O)CO HR100017 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.3 CCCC\C(C)=N/O HR101112 [1,1,0,0,0,0|0,0,1]=3 420 B7R0.3 CCCOC(=O)CC HR127273 [1,1,0,0,0,0|0,0,0]=2 421 B7R0.3 COC(=O)CCC#N HR113384 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.3 COC(=O)CCC=O HR116651 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.3 COC(=O)CCCBr HR134912 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.3 COC(=O)CCCCl HR131361 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.3 COC(=O)CCCN HR105959 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.3 COCCC(=O)OC HR130750 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.3 C\C=C\CC(=O)OC HR127455 [1,1,0,0,0,0|0,0,2]=4 428 B7R0.5 CCCC(=O)C(=O)O HR138596 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.5 CCCC(=O)C(C)=O HR139186 [1,1,0,0,0,0|0,0,1]=3 430 B7R0.5 CCCC(Br)C(=O)Cl HR140278 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.5 CCCC(Br)C(=O)O HR114924 [1,1,0,0,0,0|1,0,0]=3 432 B7R0.5 CCCC(C)C(=O)O HR131664 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.5 CCCC(N)C(=O)O HR122649 [1,1,0,0,0,0|1,0,0]=3 434 B7R0.5 CCCC(N)C(=O)O HR136723 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.5 CCCC(N)C(=O)O HR138486 [1,1,0,0,0,0|1,0,0]=3 436 B7R0.5 CCCC(O)C(C)C HR101888 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.5 CCOC(=O)C(C)=O HR135005 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.5 CNCC(N)C(=O)O HR146211 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.5 COCC(N)C(=O)O HR108882 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.5 COCC(N)C(=O)O HR109701 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.5 COCC(N)C(=O)O HR110015 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.5 COCC(N)C(=O)O HR115078 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.5 COCC(N)C(=O)O HR115700 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.5 CSCC(N)C(=O)O HR134174 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.5 NC(CCBr)C(=O)O HR102483 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.5 NC(CCO)C(=O)O HR122160 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.5 NC(CCO)C(=O)O HR127129 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.5 NC(CCO)C(=O)O HR129910 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.5 NC(CCS)C(=O)O HR100636 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.5 NC(CCS)C(=O)O HR137923 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.5 NCCC(N)C(=O)O HR112825 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.5 NCCC(N)C(=O)O HR14752 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.5 O=C(Cl)C(Br)CCBr HR119984 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.5 O=C(O)C(Br)CCBr HR138979 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.6 C=C(C)COC(C)=O HR110682 [1,1,0,0,0,0|0,0,1]=3 456 B7R0.6 CC(=O)CCC(=O)O HR127576 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [1,1,0,0,0,0|1,0,1]=4 458 B7R0.6 CC(=O)CCC(C)=O HR125376 [1,1,0,0,0,0|0,0,1]=3 459 B7R0.6 CC(=O)CNC(C)=O HR146276 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.6 CC(=O)COC(C)=O HR123551 [1,1,0,0,0,0|0,0,1]=3 461 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.6 CC(=O)OCC(=O)O HR120464 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [1,1,0,0,0,0|0,0,2]=4 464 B7R0.6 CC(Br)CCC(C)Br HR138142 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.6 CC(C)CCC(=O)Cl HR101969 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.6 CC(C)CCC(=O)O HR141883 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.6 CC(C)CCC(C)N HR130987 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.6 CC(O)CCC(C)O HR127516 [1,1,0,0,0,0|0,0,2]=4 469 B7R0.6 CC(O)CCC(C)O HR141439 [1,1,0,0,0,0|0,0,2]=4 470 B7R0.6 CC(O)CCC(C)O HR141535 [1,1,0,0,0,0|0,0,2]=4 471 B7R0.6 CN(C)CCC(=O)O HR114553 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.6 CN(C)CCC(=O)O HR147791 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.6 C[S+](C)CCC(=O)O HR107679 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.6 C[S+](C)CCC(=O)[O-] HR144459 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.8 CCCCS(=O)(=O)Cl HR127615 [1,1,0,0,0,0|2,0,0]=4 476 B7R0.8 CCCCS(=O)(=O)[O-] HR117571 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.8 CCCC[Si](C)(C)Cl HR110960 [1,1,0,0,0,0|1,1,0]=4 478 B7R0.8 CCCO[Si](C)(C)C HR140915 [1,1,0,0,0,0|1,1,0]=4 479 B7R0.1 C=CCCCCCBr HR101918 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.1 C=CCCCCCCl HR110714 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.1 C=CCCCCNC HR139130 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.1 C=CCOCCCC HR129962 [1,1,0,0,0,0|0,0,1]=3 483 B7R0.1 C=COCCCCO HR134521 [1,1,0,0,0,0|0,0,1]=3 484 B7R0.1 CCCCC#CCO HR136816 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.1 CCCCCCCBr HR134594 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.1 CCCCCCCCl HR120915 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.1 CCCCCCCI HR126873 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.1 CCCCCCCO HR135329 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.1 CCCCCCCS HR126629 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.1 CCCCCN=C=O HR115565 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.1 CCCCNCCO HR101726 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.1 CCCCOCCCl HR133392 [1,1,0,0,0,0|0,0,1]=3 493 B7R0.1 CCCC\C=C\C=O HR129000 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.1 CCCNCCOC HR103597 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.1 CCOCCCCCl HR130559 [1,1,0,0,0,0|0,0,1]=3 496 B7R0.1 CC\C=C\CCCC HR100327 [1,1,0,0,0,0|1,0,0]=3 497 B7R0.1 CC\C=C\CCCO HR144605 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.1 COCCOCCBr HR125362 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.1 COCCOCCO HR127002 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.1 O=CCCCCC=O HR122196 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.1 O=COCCOC=O HR101581 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.7 CCCC(=S)OCC HR130469 [1,1,0,0,0,0|0,0,2]=4 503 B7R0.7 CCCC(=S)OCC HR143387 [1,1,0,0,0,0|0,0,2]=4 504 B7R0.7 CCCC(Br)CCC HR101804 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.7 CCCC(N)CCC HR105135 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.7 CCOC(C)OCC HR147572 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.7 CCOC([SiH3])OCC HR133297 [1,1,0,0,0,0|1,0,1]=4 508 B9R0.4 CCCCC(C)CC(=O)O HR107516 [0,2,0,0,0,0|2,0,0]=4 509 B9R0.4 CCOCC(C)OC(C)=O HR111309 [0,2,0,0,0,0|0,0,0]=2 510 B9R0.34 CCC(=O)OC(C)COC HR123522 [0,2,0,0,0,0|1,0,0]=3 511 B9R0.34 CCCC(=O)CC(=O)OC HR142969 [0,2,0,0,0,0|1,0,1]=4 512 B9R0.53 CC(=O)CC(=O)CC(C)C HR120010 [0,2,0,0,0,0|1,0,1]=4 513 B9R0.53 CC(C)CC(N)CC(=O)O HR135813 [0,2,0,0,0,0|2,0,0]=4 514 B9R0.1 C=CC(=O)OCCN(C)C HR125499 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.1 C=CC(C)CCC=C(C)C HR131255 [0,2,0,0,0,0|2,0,0]=4 516 B9R0.1 CC(C)=CCCC(C)C=O HR132705 [0,2,0,0,0,0|2,0,0]=4 517 B9R0.1 CC(C)CCOC(=S)S[K] HR144988 [0,2,0,0,0,0|1,1,0]=4 518 B9R0.1 CC\C(C)=C/CCC(C)=O HR145625 [0,2,0,0,0,0|1,0,1]=4 519 B9R0.1 CNC(C)CCC=C(C)C HR140715 [0,2,0,0,0,0|2,0,0]=4 520 B9R0.1 COC(C)CCOC(=O)Cl HR144813 [0,2,0,0,0,0|1,0,0]=3 521 B9R0.5 CCCCOC(=O)CC#N HR124420 [0,2,0,0,0,0|0,0,0]=2 522 B9R0.5 CCCCOC(=O)CCS HR144609 [0,2,0,0,0,0|0,0,0]=2 523 B9R0.5 CCC\C=C\C(=O)OCC HR127011 [0,2,0,0,0,0|1,0,1]=4 524 B9R0.5 CCOC(=O)CCCCBr HR125890 [0,2,0,0,0,0|2,0,0]=4 525 B9R0.5 CCOC(=O)CCCCN HR148504 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.5 CCOCCC(=O)OCC HR122912 [0,2,0,0,0,0|2,0,0]=4 527 B9R0.5 COCCOC(=O)CC#N HR140049 [0,2,0,0,0,0|1,0,0]=3 528 B9R0.8 CCCCC(Br)C(=O)OC HR132410 [0,2,0,0,0,0|1,0,0]=3 529 B9R0.8 COC(=O)C(Br)CCCBr HR129039 [0,2,0,0,0,0|2,0,0]=4 530 B9R0.8 COC(=O)C(N)CCCN HR136754 [0,2,0,0,0,0|2,0,0]=4 531 B9R0.8 COC(=O)C(N)CCSC HR131630 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.8 COC(=O)C(N)CCSC HR144422 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.24 CCC(=O)CCC(=O)CC HR111827 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.24 CCC(=O)OCC(C)CC HR123055 [0,2,0,0,0,0|0,0,0]=2 535 B9R0.24 O=C(CS)OCC(O)CO HR101354 [0,2,0,0,0,0|1,0,0]=3 536 B9R0.46 C=CC(=O)OCCCCO HR100523 [0,2,0,0,0,0|0,0,1]=3 537 B9R0.46 C=CC(=O)OCCOCC HR128339 [0,2,0,0,0,0|0,0,1]=3 538 B9R0.46 CCCCCCC(=O)CC HR118308 [0,2,0,0,0,0|1,0,0]=3 539 B9R0.46 CCCCCCC(=O)OC HR101427 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.46 CCCCCOC(=S)S[K] HR130269 [0,2,0,0,0,0|1,1,0]=4 541 B9R0.46 COC(=O)CCCCCBr HR126143 [0,2,0,0,0,0|1,0,0]=3 542 B9R0.46 COC(=O)CCCCCN HR147662 [0,2,0,0,0,0|1,0,0]=3 543 B9R0.47 C=C(C)C(=O)NCCCN HR120835 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.47 C=C(C)C(=O)OCCOC HR129605 [0,2,0,0,0,0|1,0,0]=3 545 B9R0.47 CCCCCC(Br)C(=O)Cl HR101141 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.47 CCCCCC(Br)C(=O)O HR100110 [0,2,0,0,0,0|2,0,0]=4 547 B9R0.47 CCCCCC(C)C(=O)O HR134298 [0,2,0,0,0,0|1,0,1]=4 548 B9R0.47 CCCCNC(=O)N(C)C HR145345 [0,2,0,0,0,0|1,0,0]=3 549 B9R0.47 CCCCOC(=O)C(C)=O HR124899 [0,2,0,0,0,0|0,0,0]=2 550 B9R0.47 CCCCOC(=O)C(C)C HR144880 [0,2,0,0,0,0|0,0,0]=2 551 B9R0.47 CCCCOC(=O)C(C)O HR123058 [0,2,0,0,0,0|0,0,0]=2 552 B9R0.47 CCCCOC(C)C(=O)O HR118656 [0,2,0,0,0,0|0,0,1]=3 553 B9R0.47 CCSCCC(N)C(=O)O HR126680 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.47 CCSCCC(N)C(=O)O HR141385 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.47 NCCCCC(N)C(=O)O HR101720 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.47 NCCCCC(N)C(=O)O HR116209 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.47 NCCCCC(N)C(=O)O HR123265 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.47 NCCCCC(N)C(=O)O HR123541 [0,2,0,0,0,0|2,0,0]=4 559 B9R0.47 NCCCCC(N)C(=O)O HR126863 [0,2,0,0,0,0|2,0,0]=4 560 B9R0.47 NCCCCC(N)C(=O)O HR127945 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.47 NCCCCC(N)C(=O)O HR129957 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.47 NCCCCC(N)C(=O)O HR132817 [0,2,0,0,0,0|2,0,0]=4 563 B9R0.47 NCCCCC(N)C(=O)O HR133918 [0,2,0,0,0,0|2,0,0]=4 564 B9R0.47 NCCCCC(N)C(=O)O HR138275 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.47 NCCCCC(N)C(=O)O HR138539 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.47 NCCCCC(N)C(=O)O HR143917 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.47 NCCCCC(N)C(=O)O HR7967 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.2 CC(=O)OCCCCCBr HR100599 [0,2,0,0,0,0|0,0,0]=2 569 B9R0.2 CC(=O)OCCCCCCl HR101013 [0,2,0,0,0,0|0,0,0]=2 570 B9R0.2 CCCCCCCC(=O)O HR125696 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.2 CCCCCCCC(=O)[O-] HR101315 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.2 CCCCCCCC(=O)[O-] HR130385 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.2 CCCCCCCC(=O)[O-] HR139652 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.2 CCCCCCCC(C)=O HR133915 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.2 CCCCCCOC(=O)Cl HR102112 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.2 CCCCC\C=C\C(C)=O HR136203 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.2 CCC\C=C\COC(C)=O HR112120 [0,2,0,0,0,0|0,0,0]=2 578 B9R0.2 CC\C=C\CCOC(C)=O HR130251 [0,2,0,0,0,0|0,0,0]=2 579 B9R0.2 C\C=C\C=C\COC(C)=O HR141589 [0,2,0,0,0,0|0,0,2]=4 580 B9R0.2 NCCCCCCC(=O)O HR120322 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.2 NCCCCCCC(=O)O HR132733 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.2 NOCCCCCC(=O)O HR102975 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.2 O=C(O)CCCCCCBr HR122210 [0,2,0,0,0,0|2,0,0]=4 584 B9R0.2 O=C(O)CCCCCCO HR139793 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.38 CCCCCOP(=O)(O)O HR104357 [0,2,0,0,0,0|2,0,0]=4 586 B9R0.38 CCOCCOC(C)(C)C HR108015 [0,2,0,0,0,0|1,0,1]=4 587 B9R0.48 CCOC(=O)CCC(C)=O HR131025 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.48 CCOC(=O)CNC(C)=O HR137968 [0,2,0,0,0,0|1,0,1]=4 589 B9R0.55 CC(=O)CCCCC(=O)O HR100799 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.55 CC(=O)NCCCC(=O)O HR115016 [0,2,0,0,0,0|1,0,1]=4 591 B9R0.55 CC(=O)NCCSC(C)=O HR115068 [0,2,0,0,0,0|0,1,1]=4 592 B9R0.55 CC(=O)OCCOC(C)=O HR119575 [0,2,0,0,0,0|0,0,1]=3 593 B9R0.55 CC(C)CCCCC(=O)O HR141572 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.55 CC(C)CCCCC(=O)[O-] HR103452 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.55 CC(C)CCCCC(=O)[O-] HR143901 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.7 CC(=O)OCC(N)C(=O)O HR139137 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.7 CC(C)CCC(N)C(=O)O HR144426 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.13 CCCCC(CC)C(=O)Cl HR127161 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.13 CCCCC(CC)C(=O)O HR136822 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.13 CCCCC(CC)C(=O)[O-] HR123660 [0,2,0,0,0,0|2,0,0]=4 601 B9R0.13 CCCCC(CC)C(=O)[O-] HR124197 [0,2,0,0,0,0|2,0,0]=4 602 B9R0.13 CCCCC(CC)C(=O)[O-] HR125577 [0,2,0,0,0,0|2,0,0]=4 603 B9R0.13 CCCCC(CC)C(=O)[O-] HR127819 [0,2,0,0,0,0|2,0,0]=4 604 B9R0.13 CCCCC(CC)C(=O)[O-] HR128285 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.13 CCCCC(CC)C(=O)[O-] HR131557 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.13 CCCCC(CC)C(=O)[O-] HR131824 [0,2,0,0,0,0|2,0,0]=4 607 B9R0.13 CCCCC(CO)C(=O)O HR145751 [0,2,0,0,0,0|2,0,0]=4 608 B9R0.51 CCCCC(C)(C)C(=O)O HR132583 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.51 CCCCC(F)(F)C(=O)O HR150459 [0,2,0,0,0,0|2,0,0]=4 610 B9R0.43 CCN(CC)CCC(C)=O HR104741 [0,2,0,0,0,0|2,0,0]=4 611 B9R0.56 CC(=O)OCC[N+](C)(C)C HR111937 [0,2,0,0,0,0|1,0,0]=3 612 B9R0.56 CC(=O)OCC[N+](C)(C)C HR125961 [0,2,0,0,0,0|1,0,0]=3 613 B9R0.56 CC(=O)OCC[N+](C)(C)C HR136481 [0,2,0,0,0,0|1,0,0]=3 614 B9R0.56 CC(=O)OCC[Si](C)(C)Cl HR111882 [0,2,0,0,0,0|0,1,0]=3 615 B9R0.56 CC(=O)OCC[Si](C)(Cl)Cl HR106612 [0,2,0,0,0,0|0,1,0]=3 616 B9R0.56 CC(=O)SCC[N+](C)(C)C HR116105 [0,2,0,0,0,0|1,1,0]=4 617 B9R0.56 CC(=O)SCC[N+](C)(C)C HR143537 [0,2,0,0,0,0|1,1,0]=4 618 B7R1.2 CC1=CC(=O)CC1 HR137516 [1,0,0,1,0,0|0,0,2]=4 619 B7R1.2 CC1=CC(=O)OC1 HR118210 [1,0,0,1,0,0|0,0,2]=4 620 B7R1.2 CC1CCC(=O)O1 HR126256 [1,0,0,1,0,0|1,0,0]=3 621 B7R1.2 CC1CCC(N)C1 HR109161 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.2 CC1CNC(=O)C1 HR146359 [1,0,0,1,0,0|1,0,0]=3 623 B7R1.2 CC1CNC(=O)C1 HR146360 [1,0,0,1,0,0|1,0,0]=3 624 B7R1.2 CC1CNC(=O)C1 HR146369 [1,0,0,1,0,0|1,0,0]=3 625 B7R1.2 CC1COC(=O)O1 HR125363 [1,0,0,1,0,0|1,0,0]=3 626 B7R1.2 CC1COC(=O)O1 HR128407 [1,0,0,1,0,0|1,0,0]=3 627 B7R1.2 CC1COC(=O)O1 HR129273 [1,0,0,1,0,0|1,0,0]=3 628 B7R1.2 CC1COC(C)O1 HR111400 [1,0,0,1,0,0|0,0,2]=4 629 B7R1.2 CN1CCC(=O)C1 HR102484 [1,0,0,1,0,0|1,0,0]=3 630 B7R1.2 NC1CCC(=O)C1 HR145995 [1,0,0,1,0,0|1,0,0]=3 631 B7R1.2 NC1COC(=O)C1 HR14757 [1,0,0,1,0,0|1,0,0]=3 632 B7R1.2 NC1COC(=O)C1 HR14758 [1,0,0,1,0,0|1,0,0]=3 633 B7R1.2 O=C1CC(O)CN1 HR138458 [1,0,0,1,0,0|2,0,0]=4 634 B7R1.2 O=C1CC(O)CN1 HR138722 [1,0,0,1,0,0|2,0,0]=4 635 B7R1.2 O=C1CC(O)CN1 HR145864 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.2 O=C1CC(O)CO1 HR126625 [1,0,0,1,0,0|1,0,0]=3 637 B7R1.2 O=C1CC(O)CO1 HR127054 [1,0,0,1,0,0|1,0,0]=3 638 B7R1.2 O=C1CC(S)CN1 HR112550 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.2 O=C1CCC(=O)C1 HR130125 [1,0,0,1,0,0|1,0,1]=4 640 B7R1.2 O=C1COC(=O)C1 HR100364 [1,0,0,1,0,0|1,0,1]=4 641 B7R1.2 O=C1OCC(Cl)O1 HR123970 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.2 O=C1OCC(F)O1 HR135652 [1,0,0,1,0,0|2,0,0]=4 643 B7R1.3 BrC1=CCCCC1 HR156605 [1,0,0,1,0,0|1,0,1]=4 644 B7R1.3 BrC1CCCCC1 HR130726 [1,0,0,1,0,0|1,0,1]=4 645 B7R1.3 C=C1CCNCC1 HR142260 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.3 CC1=CCCCC1 HR143913 [1,0,0,1,0,0|1,0,0]=3 647 B7R1.3 CC1CCCCN1 HR103733 [1,0,0,1,0,0|1,0,1]=4 648 B7R1.3 CC1CCCCN1 HR128173 [1,0,0,1,0,0|1,0,1]=4 649 B7R1.3 CC1CCCCN1 HR149767 [1,0,0,1,0,0|1,0,1]=4 650 B7R1.3 CC1CCCCN1 ROXF00402 [1,0,0,1,0,0|1,0,1]=4 651 B7R1.3 CC1OCCCO1 HR144647 [1,0,0,1,0,0|0,0,2]=4 652 B7R1.3 ClC1=CCCCC1 HR129641 [1,0,0,1,0,0|1,0,1]=4 653 B7R1.3 ClC1CCCCC1 HR135558 [1,0,0,1,0,0|1,0,1]=4 654 B7R1.3 NC1CCCCC1 HR124720 [1,0,0,1,0,0|1,0,1]=4 655 B7R1.3 NC1CCCCC1 HR128823 [1,0,0,1,0,0|1,0,1]=4 656 B7R1.3 NC1CCCCC1 HR144083 [1,0,0,1,0,0|1,0,1]=4 657 B7R1.3 NC1CCCCC1 HR145293 [1,0,0,1,0,0|1,0,1]=4 658 B7R1.3 NN1CCCCC1 HR126890 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.3 NN1CCCCC1 HR127151 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.3 O=C1C=CCCC1 HR146309 [1,0,0,1,0,0|0,0,2]=4 661 B7R1.3 O=C1CCCCC1 SIJL01002 [1,0,0,1,0,0|0,0,0]=2 662 B7R1.3 O=C1CCCCN1 HR126393 [1,0,0,1,0,0|1,0,0]=3 663 B7R1.3 O=C1CCCCO1 HR128412 [1,0,0,1,0,0|0,0,0]=2 664 B7R1.3 O=C1CCCNC1 HR108093 [1,0,0,1,0,0|1,0,0]=3 665 B7R1.3 O=C1CCCNC1 HR116769 [1,0,0,1,0,0|1,0,0]=3 666 B7R1.3 O=C1CCCOC1 HR104744 [1,0,0,1,0,0|1,0,0]=3 667 B7R1.3 O=C1CCNCC1 CESA03001 [1,0,0,1,0,0|1,0,0]=3 668 B7R1.3 O=C1CCNCC1 HR105315 [1,0,0,1,0,0|1,0,0]=3 669 B7R1.3 O=C1CCNCC1 HR7756 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.3 O=C1CCOCC1 HR9557 [1,0,0,1,0,0|1,0,0]=3 671 B7R1.3 O=C1CCSCC1 HR123861 [1,0,0,1,0,0|1,0,0]=3 672 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [1,0,0,1,0,0|1,0,0]=3 673 B7R1.3 O=C1CNCCN1 HR132423 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.3 O=C1CNCCO1 HR30209 [1,0,0,1,0,0|1,0,0]=3 675 B7R1.3 O=C1COCCN1 HR115059 [1,0,0,1,0,0|2,0,0]=4 676 B7R1.3 O=C1COCCO1 HR127683 [1,0,0,1,0,0|1,0,0]=3 677 B7R1.3 O=C1CSCCN1 HR147732 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.3 O=C1NCCCN1 HR123216 [1,0,0,1,0,0|2,0,0]=4 679 B7R1.3 O=S1OCCCO1 HR134327 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.3 OC1CCCCC1 HR122340 [1,0,0,1,0,0|0,0,2]=4 681 B7R1.3 ON1CCCCC1 HR106287 [1,0,0,1,0,0|1,0,1]=4 682 B7R1.3 PC1CCCCC1 HR119652 [1,0,0,1,0,0|1,0,1]=4 683 B7R1.3 SC1CCCCC1 HR119141 [1,0,0,1,0,0|0,1,1]=4 684 B7R1.10 COC1CC(=O)C1 HR114228 [1,0,0,1,0,0|1,0,0]=3 685 B7R1.10 N#CC1CC(=O)C1 HR121457 [1,0,0,1,0,0|1,0,1]=4 686 B7R1.10 O=C1CC(CBr)C1 HR119561 [1,0,0,1,0,0|1,0,0]=3 687 B7R1.10 O=C1CC(CCl)C1 HR119882 [1,0,0,1,0,0|1,0,0]=3 688 B7R1.10 O=C1CC(CO)C1 HR103458 [1,0,0,1,0,0|1,0,0]=3 689 B7R1.14 CC1(O)CCCC1 HR125170 [1,0,0,1,0,0|0,0,2]=4 690 B7R1.14 C[Si]1(C)CCCC1 HR102186 [1,0,0,1,0,0|1,1,0]=4 691 B7R1.14 O=S1(=O)CCCC1 HR100013 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.14 O=S1(=O)CCCO1 HR136793 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.18 CC(=O)C1CCC1 HR143826 [1,0,0,1,0,0|0,0,0]=2 694 B7R1.18 CC(O)C1CCC1 HR147156 [1,0,0,1,0,0|0,0,2]=4 695 B7R1.18 NC(=O)C1CCN1 HR115575 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.18 O=C(Cl)C1CCC1 HR129809 [1,0,0,1,0,0|1,0,0]=3 697 B7R1.18 O=C(O)C1CCC1 HR136661 [1,0,0,1,0,0|1,0,0]=3 698 B7R1.18 O=C(O)C1CCN1 HR103406 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.18 O=C(O)C1CCN1 HR106573 [1,0,0,1,0,0|2,0,0]=4 700 B7R1.18 O=C(O)C1CCN1 HR118789 [1,0,0,1,0,0|2,0,0]=4 701 B7R1.18 O=C(O)C1CCN1 HR127792 [1,0,0,1,0,0|2,0,0]=4 702 B7R1.18 O=C(O)C1CCN1 HR132187 [1,0,0,1,0,0|2,0,0]=4 703 B7R1.18 O=C(O)C1CCN1 HR138860 [1,0,0,1,0,0|2,0,0]=4 704 B7R1.18 O=C(O)C1CCO1 HR109624 [1,0,0,1,0,0|2,0,0]=4 705 B7R1.18 O=C(O)C1CNC1 SIJL01006 [1,0,0,1,0,0|2,0,0]=4 706 B7R1.18 O=C(O)C1COC1 HR111082 [1,0,0,1,0,0|2,0,0]=4 707 B7R1.20 O=C(O)CC1CC1 HR136745 [1,0,0,1,0,0|1,0,0]=3 708 B7R1.1 BrCC1CCOC1 HR103769 [1,0,0,1,0,0|1,0,1]=4 709 B7R1.1 CCN1CCCC1 HR139662 [1,0,0,1,0,0|1,0,1]=4 710 B7R1.1 CNC1CCOC1 HR117706 [1,0,0,1,0,0|1,0,1]=4 711 B7R1.1 CNC1CCOC1 HR119346 [1,0,0,1,0,0|1,0,1]=4 712 B7R1.1 COC1CCCC1 HR102853 [1,0,0,1,0,0|2,0,0]=4 713 B7R1.1 NCC1CCOC1 HR112138 [1,0,0,1,0,0|1,0,1]=4 714 B7R1.1 O=CC1CCCC1 HR129057 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.1 O=CC1CCCO1 HR106351 [1,0,0,1,0,0|2,0,0]=4 716 B7R1.1 O=CC1CCOC1 HR111279 [1,0,0,1,0,0|2,0,0]=4 717 B7R1.1 OCC1CC=CC1 HR106689 [1,0,0,1,0,0|2,0,0]=4 718 B7R1.1 OCC1CCOC1 HR103184 [1,0,0,1,0,0|1,0,1]=4 719 B7R1.1 OCC1CCOC1 HR114642 [1,0,0,1,0,0|1,0,1]=4 720 B7R1.1 OCC1CCOC1 HR114966 [1,0,0,1,0,0|1,0,1]=4 721 B7R1.4 C=C1CCOC1=O HR130328 [1,0,0,1,0,0|0,0,2]=4 722 B7R1.4 CC1=C(S)CCO1 HR124755 [1,0,0,1,0,0|1,0,1]=4 723 B7R1.4 CC1CCCC1=O HR112329 [1,0,0,1,0,0|1,0,0]=3 724 B7R1.4 CC1CCNC1=O HR103871 [1,0,0,1,0,0|1,0,0]=3 725 B7R1.4 CC1OCCC1=O HR131028 [1,0,0,1,0,0|2,0,0]=4 726 B7R1.4 CC1OCCC1S HR131287 [1,0,0,1,0,0|1,0,1]=4 727 B7R1.4 CC1SCCC1=O HR124610 [1,0,0,1,0,0|2,0,0]=4 728 B7R1.4 CN1CCCC1=O HR130754 [1,0,0,1,0,0|2,0,0]=4 729 B7R1.4 CN1CCOC1=O HR132150 [1,0,0,1,0,0|1,0,0]=3 730 B7R1.4 NC1CCNC1=O HR148583 [1,0,0,1,0,0|2,0,0]=4 731 B7R1.4 NC1CCOC1=O HR103069 [1,0,0,1,0,0|1,0,0]=3 732 B7R1.4 NC1CCOC1=O HR134625 [1,0,0,1,0,0|1,0,0]=3 733 B7R1.4 NC1CCOC1=O HR137954 [1,0,0,1,0,0|1,0,0]=3 734 B7R1.4 NC1CCOC1=O HR146738 [1,0,0,1,0,0|1,0,0]=3 735 B7R1.4 NC1CCSC1=O HR137672 [1,0,0,1,0,0|1,1,0]=4 736 B7R1.4 NN1CCOC1=O HR146108 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.4 O=C1CCCC1Br HR121144 [1,0,0,1,0,0|2,0,0]=4 738 B7R1.4 O=C1CCCC1Cl HR112783 [1,0,0,1,0,0|2,0,0]=4 739 B7R1.4 O=C1NCCC1O HR102172 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.4 O=C1NCCC1O HR113273 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.4 O=C1NCCC1O HR113406 [1,0,0,1,0,0|2,0,0]=4 742 B7R1.4 O=C1NCCC1O HR147016 [1,0,0,1,0,0|2,0,0]=4 743 B7R1.4 O=C1OCCC1Br HR10714 [1,0,0,1,0,0|1,0,0]=3 744 B7R1.24 C1CCCNCC1 HR146715 [1,0,0,1,0,0|1,0,1]=4 745 B7R1.24 C1CCOCOC1 HR105864 [1,0,0,1,0,0|0,0,2]=4 746 B7R1.24 C1CNCCOC1 HR100780 [1,0,0,1,0,0|1,0,1]=4 747 B7R1.24 C1CNCCOC1 HR146137 [1,0,0,1,0,0|1,0,1]=4 748 B9R1.7 CCCC1CCC(=O)O1 HR132110 [0,1,0,1,0,0|0,0,0]=2 749 B9R1.7 COCC1COC(=O)O1 HR118388 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.13 CC(=O)NC1CCNC1 HR119460 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.13 CC(=O)NC1CCNC1 HR126156 [0,1,0,1,0,0|1,0,0]=3 752 B9R1.13 CC(=O)NC1CCNC1 HR149035 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.13 O=C(Cl)OC1CCCC1 HR130910 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.13 O=C(O)CC1CCCC1 HR140131 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.13 O=C(O)CC1CCCN1 HR139892 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.13 O=C(O)CC1CCCN1 HR145708 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.13 O=C(O)CC1CCCO1 HR15380 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.13 O=C(O)CC1CCNC1 HR105011 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.13 O=C(O)CC1CCNC1 HR145803 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.13 O=C(O)CC1CCNC1 HR145804 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.13 O=C(O)CC1CCOC1 HR114277 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.13 O=C(O)CN1CCCC1 HR110460 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.34 CC1CC(=O)CC(=O)C1 HR14279 [0,1,0,1,0,0|1,0,1]=4 764 B9R1.34 CC1CC(=O)CC(C)O1 HR111074 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.41 CC(=O)C1CCCC1=O HR144598 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.41 CC1CCNC1C(=O)O HR139699 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.41 CN1CCCC1C(=O)O HR102016 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.41 CN1CCCC1C(=O)O HR139408 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.41 CN1CCCC1C(=O)O HR139601 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.41 CN1CCCC1C(=O)O HR147686 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.41 NC1CCCC1C(=O)O HR11111 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.41 NC1CCCC1C(=O)O HR112426 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.41 NC1CCCC1C(=O)O HR112742 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.41 NC1CCCC1C(=O)O HR113061 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.41 NC1CCCC1C(=O)O HR117553 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [0,1,0,1,0,0|1,0,1]=4 777 B9R1.53 CC(=O)OC1CC(=O)C1 HR120188 [0,1,0,1,0,0|0,0,1]=3 778 B9R1.53 CC(=O)OC1CC(=O)N1 HR124739 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.53 CC(=O)OC1CC(=O)N1 HR137214 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.66 CC1(C)CC(=O)CCO1 HR102210 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.66 CC1(C)CC(N)CCO1 HR114970 [0,1,0,1,0,0|1,0,1]=4 782 B9R1.66 CC1(C)CCCC(=O)C1 HR30153 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.66 CC1(O)CCOC(=O)C1 HR123601 [0,1,0,1,0,0|0,0,0]=2 784 B9R1.137 CC(=O)CC(=O)C1CC1 HR144451 [0,1,0,1,0,0|1,0,1]=4 785 B9R1.1 CCC1CCC(=O)CC1 HR135707 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.1 CCN1CCC(=O)CC1 HR123520 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.1 CNC1CCC(=O)CC1 HR117712 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.1 COC1CCC(=O)CC1 HR107140 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.1 NCC1CNC(=O)CO1 HR145997 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.1 O=C1CCC(CO)CC1 HR104770 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.1 O=C1CCC(CO)CN1 HR120133 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.1 O=C1COC(CO)CN1 HR145848 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.1 O=C1COC(CO)CN1 HR145849 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.1 O=C1COC(CO)CN1 HR145850 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.2 CCC1CC(=O)CCO1 HR120478 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.2 CCC1CCCC(=O)N1 HR146355 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.2 O=C1CCCC(CO)C1 HR121488 [0,1,0,1,0,0|1,0,0]=3 799 B9R1.2 O=C1CCCC(CO)N1 HR145838 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.2 O=C1CCCC(CO)N1 HR145841 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.2 O=C1CCCC(CO)N1 HR145844 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.2 O=C1COCC(CO)N1 HR145834 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.5 CN1CCCCCC1=O HR132765 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.5 NC1CCCCNC1=O HR143152 [0,1,0,1,0,0|1,0,0]=3 805 B9R1.5 NC1CCCCNC1=O HR144162 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.5 NC1CSCCNC1=O HR111257 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.5 O=C1CCCCCN1Br HR100192 [0,1,0,1,0,0|1,0,0]=3 808 B9R1.11 COC(=O)C1CCCC1 HR103520 [0,1,0,1,0,0|1,0,0]=3 809 B9R1.11 COC(=O)C1CCCN1 HR133852 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.11 COC(=O)C1CCCN1 RASA04102 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.11 COC(=O)C1CCCO1 HR126735 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.11 COC(=O)C1CCC[NH2+]1 HR132161 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.11 COC(=O)C1CCNC1 HR103128 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.11 COC(=O)C1CCNC1 HR105013 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.11 COC(=O)C1CCNC1 HR110217 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.11 O=C(CCl)C1CCCC1 HR120563 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.49 CN1CCCC(=O)CC1 HR115762 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.49 CN1CCCC(=O)CC1 HR2443 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.49 CN1CCNC(=O)CC1 HR112731 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.49 CN1CCNC(=O)CC1 HR146772 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.50 O=C1CCCCCCC1 HR129393 [0,1,0,1,0,0|1,0,0]=3 822 B9R1.50 O=C1CCCCCCN1 HR128374 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.50 O=C1CCNCCCN1 HR116529 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.80 C=CC(=O)OCC1CO1 HR138690 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.89 O=CC1CCCCCC1 HR146293 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.132 CN1C(=O)CCC1CO HR149021 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.6 CC(=O)C1=CCCCC1 HR138989 [0,1,0,1,0,0|1,0,0]=3 828 B9R1.6 CC(=O)C1CCCCC1 HR132742 [0,1,0,1,0,0|1,0,0]=3 829 B9R1.6 CC(=O)C1CCCCN1 HR114158 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.6 CC(=O)C1CCOCC1 HR112480 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.6 CC(=O)N1CCNCC1 HR135408 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.6 CC(=O)N1CCOCC1 HR127112 [0,1,0,1,0,0|1,0,0]=3 833 B9R1.6 NC(=O)C1CCCCC1 HR134499 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.6 NC(=O)C1CCCCN1 HR109986 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.6 NC(=O)C1CCCCN1 HR149250 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.6 NC(=O)C1CCCNC1 HR124567 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.6 NC(=O)C1CCNCC1 ACSA02520 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.6 O=C(Cl)C1CCCCC1 HR133690 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.6 O=C(Cl)C1CCOCC1 HR124521 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.6 O=C(Cl)N1CCOCC1 HR138923 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.6 O=C(O)C1=CCCCC1 HR127974 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.6 O=C(O)C1CCCCC1 DAJL01401 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.6 O=C(O)C1CCCCC1 HR10570 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.6 O=C(O)C1CCCCN1 HR116043 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.6 O=C(O)C1CCCCN1 HR122879 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.6 O=C(O)C1CCCCN1 HR132254 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.6 O=C(O)C1CCCCN1 HR136021 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.6 O=C(O)C1CCCCN1 HR136802 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.6 O=C(O)C1CCCCN1 HR138030 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.6 O=C(O)C1CCCCN1 HR145800 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.6 O=C(O)C1CCCCN1 HR5567 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.6 O=C(O)C1CCCCO1 HR112642 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.6 O=C(O)C1CCCCO1 HR145775 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.6 O=C(O)C1CCCCO1 HR145783 [0,1,0,1,0,0|1,0,0]=3 855 B9R1.6 O=C(O)C1CCCNC1 HR115729 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.6 O=C(O)C1CCCNC1 HR116358 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.6 O=C(O)C1CCCNC1 HR124123 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.6 O=C(O)C1CCCNC1 HR127349 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.6 O=C(O)C1CCCOC1 HR108512 [0,1,0,1,0,0|2,0,0]=4 860 B9R1.6 O=C(O)C1CCNCC1 HR144644 [0,1,0,1,0,0|2,0,0]=4 861 B9R1.6 O=C(O)C1CCNCC1 HR7718 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.6 O=C(O)C1CCOCC1 IBCQ00401 [0,1,0,1,0,0|2,0,0]=4 863 B9R1.6 O=C(O)C1CNCCO1 HR117234 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.6 O=C(O)C1CNCCO1 HR117737 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.6 O=C(O)C1CNCCO1 HR145792 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.6 O=C([O-])C1CCCCC1 HR120023 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.83 CCCCOCC1CO1 HR123131 [0,1,0,1,0,0|0,0,2]=4 868 B9R1.84 O=C(O)CCC1CCC1 HR103351 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.35 CC(=O)N1CCC(=O)C1 HR116402 [0,1,0,1,0,0|1,0,1]=4 870 B9R1.35 CC(=O)N1CCC(N)C1 HR116475 [0,1,0,1,0,0|1,0,0]=3 871 B9R1.35 CC(C)C1COC(=O)N1 ATXF02509 [0,1,0,1,0,0|1,0,0]=3 872 B9R1.35 CC(C)C1COC(=O)N1 HR126546 [0,1,0,1,0,0|1,0,0]=3 873 B9R1.35 CC1CCC(C(=O)O)N1 HR139798 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.35 NC1CCC(C(=O)O)C1 HR139989 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.35 NC1CCC(C(=O)O)C1 HR145717 [0,1,0,1,0,0|2,0,0]=4 876 B9R1.35 NC1CCC(C(=O)O)C1 HR145718 [0,1,0,1,0,0|2,0,0]=4 877 B9R1.35 NC1CCC(C(=O)O)C1 HR145728 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.35 NC1CCC(C(=O)O)C1 HR145729 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.35 NC1CCC(C(=O)O)C1 HR145730 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.35 NC1CCC(C(=O)O)C1 HR145731 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.35 O=C(O)C1CCC(O)C1 HR145784 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.35 O=C(O)C1CCC(O)C1 HR145786 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.35 O=C(O)C1CCC(O)C1 HR145787 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.35 O=C(O)C1CCC(O)C1 HR145788 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.112 NC(CC1CC1)C(=O)O HR125932 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.112 NC(CC1CC1)C(=O)O HR130432 [0,1,0,1,0,0|2,0,0]=4 887 B9R1.163 CC(=O)C1(O)CCCC1 HR120547 [0,1,0,1,0,0|1,0,0]=3 888 B9R1.163 NC(=O)C1(N)CCCC1 HR146549 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.163 NC1(C(=O)O)CCCC1 IBCQ00406 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.163 O=C(O)C1(F)CCCC1 HR33973 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.133 CCC1COS(=O)(=O)O1 HR103760 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.114 CS(=O)(=O)OC1CNC1 HR104450 [0,1,0,1,0,0|2,0,0]=4 893 B9R2.39 O=C1CC2CCC1C2 HR102426 [0,0,0,2,0,0|1,0,0]=3 894 B9R2.7 O=C1NC2CCCC12 HR101686 [0,0,0,2,0,0|1,0,0]=3 895 B9R2.138 O=C1CC2(COC2)C1 HR148803 [0,0,0,2,0,0|2,0,0]=4