0 B6R0.1 C#CC(=O)NCC HR116239 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C#CC(=O)OCC HR132600 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.1 C=CC(=O)CCC HR100488 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.1 C=CC(=O)NCO HR132117 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 C=CC(O)CCC HR128085 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 C=COC(=O)CC HR145643 [0,0,0,0,0,0|0,0,4]=4 6 B6R0.1 CC#CC(=O)OC HR141249 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCC(=O)CSC HR123442 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCCC(=O)NN HR113429 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CCCC(=O)SC HR136352 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCCC(=S)OC HR122832 [0,0,0,0,0,0|2,1,1]=4 11 B6R0.1 CCOC(=N)CCl HR112327 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 CCOC(=O)C=O HR130872 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.1 CCOC(=O)CBr AMJB00601 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.1 CCOC(=O)CCl HR147617 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.1 CCOC(=O)CN HR134743 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.1 CCOC(=O)CO HR127384 [0,0,0,0,0,0|1,0,1]=2 17 B6R0.1 CCOC(=O)CS HR136673 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.1 CCOC(=O)NN HR102667 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 CCOC(=O)NN HR138962 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 CCOC(=O)OC HR138173 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.1 CCOC(=S)S[Na] HR127866 [0,0,0,0,0,0|2,1,0]=3 22 B6R0.1 CCOC(Br)CBr HR133561 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 CCO\C(C)=N/O SIJL01004 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.1 CCSC(=O)CC HR138214 [0,0,0,0,0,0|0,1,2]=3 25 B6R0.1 CNCC(=O)OC HR130436 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 COC(=O)CCBr HR133552 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 COC(=O)CCN HR135038 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 COC(=O)CCS HR133169 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 COCC(=O)OC HR147666 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 C\C=C\C(=O)CC HR108073 [0,0,0,0,0,0|1,0,3]=4 31 B6R0.1 O=C(CCl)NCO HR124394 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 C=C(C)CCO HR139358 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 C=C(C)OCC HR135003 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 CC#CC(=O)O HR16226 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CC(=O)CCCl HR106274 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(=O)CCO HR131203 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(=O)NCO HR105862 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(=O)OC=O HR100841 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.1 CC(=O)OCBr HR127457 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CC(=O)OCCl HR101207 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.1 CCCC(=N)N HR126811 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CCCC(=O)Cl HR147587 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CCCC(=O)[O-] HR129884 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CCCC(=O)[O-] HR137474 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCCC(N)=O HR137715 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CCNC(C)=O HR100775 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 CCNC(N)=O HR126748 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 CCNC(N)=[NH2+] HR145586 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CCOC(=N)N HR110036 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CCOC(=O)Cl IVSA07702 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 CCOC(=S)[S-] HR127593 [1,0,0,0,0,0|1,1,0]=3 52 B5R0.1 CCOC(C)=N HR126641 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 CCOC(N)=O HR123919 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 CCSC(C)=O HR138399 [1,0,0,0,0,0|0,1,1]=3 55 B5R0.1 CCSC(C)=S HR129552 [1,0,0,0,0,0|0,2,1]=4 56 B5R0.1 CNCC(=O)O HR132326 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CNCC(=O)[O-] HR133335 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 COCC(=O)Cl HR138385 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 COCC(=O)O HR137614 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 COCC(C)=O HR124731 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CSCC(C)=O HR104929 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CSCC(N)=O HR105921 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 C\C=C\C(=O)Cl HR100850 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 C\C=C\C(=O)Cl HR133043 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 NC(=O)CCO HR101159 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 NC(=O)NCO HR121643 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 NCCC(=O)O HR120135 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 NCCC(=O)O HR136538 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 NCCC(N)=O HR123050 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.1 O=C(Cl)CCBr HR132550 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 O=C(Cl)CCCl HR125686 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 O=C(O)CCBr HR146768 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.1 O=C(O)CCI HR118002 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 O=C(O)CCO HR12598 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 O=C(O)CCS BACQ02107 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.2 C=CCCCBr HR138516 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 C=CCCCN HR114551 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 C=CCCCO HR127694 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 C=CCSSC HR124486 [1,0,0,0,0,0|1,1,1]=4 80 B5R0.2 C=COCCC HR122922 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.2 C=COCCO HR122391 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.2 CCOCCBr HR147270 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.2 CCOCCCl HR125621 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.2 CCOCCN HR133098 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.2 CCOCCN HR141597 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.2 CCO\C=C\Br ATXF02514 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.2 CC\C=C\C=O HR111713 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 CC\C=C\C=O HR139459 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 CC\C=C\CBr HR102032 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 C\C=C\CCC HR121014 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.2 C\C=C\OCC HR128979 [1,0,0,0,0,0|0,0,1]=2 92 B5R0.3 C#CC(=O)OC HR133415 [1,0,0,0,0,0|0,0,2]=3 93 B5R0.3 C=C(C=O)CC HR137788 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.3 C=CC(=O)CBr HR146340 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.3 C=CC(=O)CBr HR146362 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.3 C=CC(=O)OC LECQ00902 [1,0,0,0,0,0|0,0,0]=1 97 B5R0.3 C=CC(N)CO HR146014 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.3 C=CC(O)CC HR132478 [1,0,0,0,0,0|0,0,2]=3 99 B5R0.3 C=CC(O)CN HR146126 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.3 C=CC(O)CN HR146127 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.3 C=CC(O)CN HR146128 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.3 C=CC(O)CO HR120607 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.3 CCC(=N)NO HR117947 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.3 CCC(=O)CBr HR101618 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.3 CCC(=O)NC HR138361 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.3 CCC(=S)OC HR134757 [1,0,0,0,0,0|0,1,2]=4 107 B5R0.3 CCC(C)C=O HR108130 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 CCS(=O)CC HR101279 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.3 CNC(=O)CBr HR108109 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 CNC(=O)NC HR124408 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.3 COC(=N)OC HR100139 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.3 COC(=O)C=O HR131069 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.3 COC(=O)CBr HR147010 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.3 COC(=O)CCl HR147665 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.3 COC(=O)CF HR147087 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.3 COC(=O)CN VAJB00904 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.3 COC(=O)CO HR136159 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.3 COC(=O)CS HR136418 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.3 COC(=O)NN HR17404 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.3 COS(=O)OC HR128367 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.3 CO[PH](=O)OC HR135600 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.3 C\C=C(\C)C=O HR112466 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.3 C\C=C(\C)C=O HR139746 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.3 O=C(CBr)CBr HR100914 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.3 O=C(CCl)CCl HR147139 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.3 O=C(CO)CO HR136414 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.2 C=CC(=O)NC(C)C HR138308 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.2 CC(C)NC(=O)CBr HR117083 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.2 CC(C)OC(=O)CN HR105079 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.2 CC(C)OC(=O)CN HR117760 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.2 CC(C)OC(=O)CO HR105901 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.2 CC(C)OC(=S)S[Na] HR128151 [0,1,0,0,0,0|2,1,0]=4 133 B7R0.2 COC(=O)CC(C)N HR119861 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.2 COC(=O)CC(C)N HR143484 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.2 COC(=O)CC(C)O HR138815 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.2 CSC(=O)CC(C)C HR122226 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.3 C=CC(=O)OCCC HR144889 [0,1,0,0,0,0|0,0,0]=1 138 B7R0.3 C=CC(=O)OCCO HR125757 [0,1,0,0,0,0|0,0,0]=1 139 B7R0.3 C=CCOC(=O)C=C HR107303 [0,1,0,0,0,0|0,0,1]=2 140 B7R0.3 C=CCOC(=O)CBr HR103697 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.3 C=CCOC(=O)CCl HR132199 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.3 CCCCC(=O)NN HR113250 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.3 CCCOC(=O)CC HR127273 [0,1,0,0,0,0|0,0,2]=3 144 B7R0.3 COC(=O)CCCBr HR134912 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.3 COC(=O)CCCCl HR131361 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.3 COC(=O)CCCN HR105959 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.3 COCCC(=O)OC HR130750 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.5 C=C(C)C(=O)NCO HR114687 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.5 CC(C)C(=O)OCCl HR116048 [0,1,0,0,0,0|1,0,2]=4 150 B7R0.5 CCCC(=O)C(=O)O HR138596 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.5 CCCC(=O)C(C)=O HR139186 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.5 CCCC(=O)C(C)C HR130078 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.5 CCOC(=O)C(=O)Cl HR138954 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.5 CCOC(=O)C(C)=O HR135005 [0,1,0,0,0,0|0,0,1]=2 155 B7R0.5 CCOC(=O)C(C)Br HR123330 [0,1,0,0,0,0|0,0,2]=3 156 B7R0.5 CCOC(=O)C(C)C BEJL02302 [0,1,0,0,0,0|0,0,2]=3 157 B7R0.5 CCOC(=O)C(C)F HR137458 [0,1,0,0,0,0|0,0,2]=3 158 B7R0.5 CCOC(=O)C(C)N HR113453 [0,1,0,0,0,0|0,0,2]=3 159 B7R0.5 CCOC(=O)C(C)N HR123317 [0,1,0,0,0,0|0,0,2]=3 160 B7R0.5 CCOC(=O)C(C)N HR129365 [0,1,0,0,0,0|0,0,2]=3 161 B7R0.5 CCOC(=O)C(C)O HR100136 [0,1,0,0,0,0|0,0,2]=3 162 B7R0.5 CCOC(=O)C(C)O HR15558 [0,1,0,0,0,0|0,0,2]=3 163 B7R0.5 CCOC(=O)C(C)S HR126591 [0,1,0,0,0,0|0,0,2]=3 164 B7R0.5 CCOC(=O)C(F)Br HR137876 [0,1,0,0,0,0|1,0,1]=3 165 B7R0.5 CCOC(=O)C(F)Cl HR115827 [0,1,0,0,0,0|1,0,1]=3 166 B7R0.5 CCOC(=O)C(F)F HR123633 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.5 CCOC(=S)C(N)=O HR125905 [0,1,0,0,0,0|1,1,0]=3 168 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.7 C=C(OCC)OCC IVSA07713 [0,1,0,0,0,0|1,0,2]=4 171 B7R0.7 C=C=CC(=O)OCC HR108306 [0,1,0,0,0,0|0,0,0]=1 172 B7R0.7 C=COC(=O)\C=C\C HR129020 [0,1,0,0,0,0|0,0,2]=3 173 B7R0.7 CC#CC(=O)OCC HR127977 [0,1,0,0,0,0|0,0,2]=3 174 B7R0.7 CCCC(=O)OCCl HR123267 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.7 CCCC(=S)OCC HR130469 [0,1,0,0,0,0|0,1,2]=4 176 B7R0.7 CCCC(=S)OCC HR143387 [0,1,0,0,0,0|0,1,2]=4 177 B7R0.7 CCNC(=O)NCC HR128759 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.7 CCOC(=O)CCBr HR132284 [0,1,0,0,0,0|0,0,2]=3 179 B7R0.7 CCOC(=O)CCCl HR147079 [0,1,0,0,0,0|0,0,2]=3 180 B7R0.7 CCOC(=O)CCI HR101944 [0,1,0,0,0,0|0,0,2]=3 181 B7R0.7 CCOC(=O)CCN HR129110 [0,1,0,0,0,0|0,0,2]=3 182 B7R0.7 CCOC(=O)CCS HR135162 [0,1,0,0,0,0|0,0,2]=3 183 B7R0.7 CCOC(=O)CNC HR138266 [0,1,0,0,0,0|0,0,2]=3 184 B7R0.7 CCOC(=O)CNN HR128003 [0,1,0,0,0,0|1,0,1]=3 185 B7R0.7 CCOC(=O)COC HR123443 [0,1,0,0,0,0|0,0,2]=3 186 B7R0.7 CCOC(=O)N=C=S FISA07802 [0,1,0,0,0,0|1,0,1]=3 187 B7R0.7 CCOC(=O)OCCl HR138904 [0,1,0,0,0,0|1,0,1]=3 188 B7R0.7 CCOC(=O)\C=C\I HR11670 [0,1,0,0,0,0|0,0,0]=1 189 B7R0.7 CCOS(=O)OCC HR101466 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.7 CCO[PH](=O)OCC HR109664 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.7 CCO\C(C)=N/C#N HR139602 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.7 [C-]#[N+]CC(=O)OCC HR146955 [0,1,0,0,0,0|0,0,2]=3 193 B7R0.10 CCC(=O)C(=O)CC HR122518 [0,1,0,0,0,0|1,0,2]=4 194 B7R0.10 CCC(Br)C(=O)OC HR123363 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.10 CCC(C)C(=O)OC HR133876 [0,1,0,0,0,0|2,0,1]=4 196 B7R0.10 CCC(C)C(=O)OC HR143721 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.10 CCC(C)C(=O)SC HR105243 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.10 CCC(O)C(=O)OC HR144357 [0,1,0,0,0,0|2,0,1]=4 199 B7R1.1 C=CC1OCCO1 HR135167 [0,0,0,1,0,0|0,0,2]=3 200 B7R1.1 CCC1=NCCO1 HR131444 [0,0,0,1,0,0|1,0,2]=4 201 B7R1.1 O=CC1CCCO1 HR106351 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.2 CC1=CC=C(Br)O1 HR117458 [0,0,0,1,0,0|1,0,1]=3 203 B7R1.2 CC1=CC=C(Br)S1 HR138580 [0,0,0,1,0,0|1,1,1]=4 204 B7R1.2 CC1=CC=C(C)N1 HR127998 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.2 CC1=CC=C(C)S1 HR126900 [0,0,0,1,0,0|1,1,1]=4 206 B7R1.2 CC1=CC=C(Cl)S1 HR122756 [0,0,0,1,0,0|1,1,1]=4 207 B7R1.2 CC1=CC=C(I)S1 HR103673 [0,0,0,1,0,0|1,1,1]=4 208 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,0,0,1,0,0|0,0,2]=3 209 B7R1.2 CC1=CN=C(N)O1 HR115333 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.2 CC1=NN(C)C=C1 HR9119 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.2 CC1=NNC(=O)O1 HR134101 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.2 CC1CCC(=O)O1 HR126256 [0,0,0,1,0,0|0,0,2]=3 213 B7R1.2 CC1CNC(=O)C1 HR146359 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.2 CC1CNC(=O)C1 HR146360 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.2 CC1CNC(=O)C1 HR146369 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.2 CC1COC(=O)O1 HR125363 [0,0,0,1,0,0|1,0,1]=3 217 B7R1.2 CC1COC(=O)O1 HR128407 [0,0,0,1,0,0|1,0,1]=3 218 B7R1.2 CC1COC(=O)O1 HR129273 [0,0,0,1,0,0|1,0,1]=3 219 B7R1.2 CN1C=CC(Br)=N1 HR119318 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.2 CN1C=CC(I)=N1 HR32790 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.2 CN1C=CC(N)=N1 HR9118 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.2 O=C1C=CC(=O)N1 HR130748 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.2 O=C1C=CC(=O)O1 HR146919 [0,0,0,1,0,0|1,0,1]=3 224 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.2 O=C1OCC(F)O1 HR135652 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.3 BrC1=CCCCC1 HR156605 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.3 BrC1C=CCCC1 HR103088 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.3 CC1=CCCCC1 HR143913 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.3 ClC1=CCCCC1 HR129641 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.3 O=C1C=CC=NN1 HR137023 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.3 O=C1C=CCCC1 HR146309 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.3 O=C1CCCCC1 SIJL01002 [0,0,0,1,0,0|1,0,2]=4 233 B7R1.3 O=C1CCCCN1 HR126393 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.3 O=C1CCCCO1 HR128412 [0,0,0,1,0,0|0,0,2]=3 235 B7R1.3 O=C1CCCNC1 HR108093 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.3 O=C1CCCNC1 HR116769 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.3 O=C1CCCOC1 HR104744 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.3 O=C1CNCCN1 HR132423 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.3 O=C1CNCCO1 HR30209 [0,0,0,1,0,0|1,0,1]=3 240 B7R1.3 O=C1COCCN1 HR115059 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.3 O=C1COCCO1 HR127683 [0,0,0,1,0,0|1,0,1]=3 242 B7R1.3 O=C1CSCCN1 HR147732 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.3 O=C1NCCCN1 HR123216 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.3 O=S1OCCCO1 HR134327 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.3 OC1C=CCCC1 HR108292 [0,0,0,1,0,0|1,0,2]=4 246 B7R1.4 BrC1=C(Br)CCC1 HR137703 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.4 C=C1CCOC1=O HR130328 [0,0,0,1,0,0|0,0,0]=1 248 B7R1.4 CC1=C(S)CCO1 HR124755 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.4 CC1=CCCC1=O HR114448 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.4 CC1CCCC1=O HR112329 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.4 CC1CCNC1=O HR103871 [0,0,0,1,0,0|1,0,2]=4 252 B7R1.4 CC1OCCC1=O HR131028 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.4 CN1CCCC1=O HR130754 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.4 CN1CCOC1=O HR132150 [0,0,0,1,0,0|1,0,1]=3 255 B7R1.4 NC1CCNC1=O HR148583 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.4 NC1CCOC1=O HR103069 [0,0,0,1,0,0|1,0,1]=3 257 B7R1.4 NC1CCOC1=O HR134625 [0,0,0,1,0,0|1,0,1]=3 258 B7R1.4 NC1CCOC1=O HR137954 [0,0,0,1,0,0|1,0,1]=3 259 B7R1.4 NC1CCOC1=O HR146738 [0,0,0,1,0,0|1,0,1]=3 260 B7R1.4 NC1CCSC1=O HR137672 [0,0,0,1,0,0|1,1,1]=4 261 B7R1.4 NN1CCCC1=O GASA04306 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.4 NN1CCOC1=O HR146108 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.4 O=C1CCC=C1O HR148600 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.4 O=C1CCCC1Br HR121144 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.4 O=C1CCCC1Cl HR112783 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.4 O=C1NCCC1O HR102172 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.4 O=C1NCCC1O HR113273 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.4 O=C1NCCC1O HR113406 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.4 O=C1NCCC1O HR147016 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.4 O=C1OCC=C1Br HR102966 [0,0,0,1,0,0|1,0,1]=3 271 B7R1.4 O=C1OCCC1Br HR10714 [0,0,0,1,0,0|1,0,1]=3 272 B7R1.4 O=C1O[Cu]OC1=O HR101666 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.4 O=C1O[SnH2]OC1=O HR138079 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.22 CCC(=O)C1CC1 HR104134 [0,0,0,1,0,0|1,0,2]=4 275 B7R1.22 COC(=O)C1CC1 HR128125 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.22 O=C(CBr)C1CC1 HR125713 [0,0,0,1,0,0|2,0,1]=4 277 B4R0.1 C=C(Br)CBr HR112152 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 C=C(C)CBr HR118272 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 C=C(C)CN HR103061 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 C=C(C)OC HR127251 [2,0,0,0,0,0|1,0,0]=3 281 B4R0.1 C=CC(=O)Cl HR138421 [2,0,0,0,0,0|1,0,0]=3 282 B4R0.1 C=CC(=O)O HR147507 [2,0,0,0,0,0|0,0,0]=2 283 B4R0.1 C=CC(=O)[O-] HR107941 [2,0,0,0,0,0|0,0,1]=3 284 B4R0.1 C=CC(=O)[O-] HR108077 [2,0,0,0,0,0|0,0,1]=3 285 B4R0.1 C=CC(=O)[O-] HR108254 [2,0,0,0,0,0|0,0,1]=3 286 B4R0.1 C=CC(=O)[O-] HR114407 [2,0,0,0,0,0|0,0,1]=3 287 B4R0.1 C=CC(=O)[O-] HR128661 [2,0,0,0,0,0|0,0,1]=3 288 B4R0.1 C=CC(=O)[O-] HR138209 [2,0,0,0,0,0|0,0,1]=3 289 B4R0.1 C=CC(C)=O NASA01402 [2,0,0,0,0,0|0,0,0]=2 290 B4R0.1 C=CC(C)N HR115106 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.1 C=CC(C)N HR115412 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.1 C=CC(C)O HR107775 [2,0,0,0,0,0|0,0,2]=4 293 B4R0.1 C=CC(N)=O HR124129 [2,0,0,0,0,0|1,0,0]=3 294 B4R0.1 C=CC(N)=O HR132105 [2,0,0,0,0,0|1,0,0]=3 295 B4R0.1 C=CC(N)=O HR147511 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 C=C[N+](=O)[O-] HR118582 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.1 CC(=O)C=O HR138052 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.1 CC(=O)CBr HR147584 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.1 CC(=O)CCl HR146994 [2,0,0,0,0,0|1,0,1]=4 300 B4R0.1 CC(=O)CN HR103911 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.1 CC(=O)CN HR120199 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.1 CC(=O)CO HR130889 [2,0,0,0,0,0|1,0,1]=4 303 B4R0.1 CC(=O)NN HR137209 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.1 CC(=O)NO HR132350 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.1 CC(=O)OO HR147573 [2,0,0,0,0,0|1,0,1]=4 306 B4R0.1 CCC(=N)N HR124081 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 CCC(=O)[O-] HR100550 [2,0,0,0,0,0|1,0,0]=3 308 B4R0.1 CCC(=O)[O-] HR104439 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 CCC(=O)[O-] HR133146 [2,0,0,0,0,0|1,0,0]=3 310 B4R0.1 CCC(=O)[O-] HR133686 [2,0,0,0,0,0|1,0,0]=3 311 B4R0.1 CCC(=O)[O-] HR140520 [2,0,0,0,0,0|1,0,0]=3 312 B4R0.1 CCC(=O)[O-] HR145618 [2,0,0,0,0,0|1,0,0]=3 313 B4R0.1 CCC(N)=O HR135085 [2,0,0,0,0,0|1,0,0]=3 314 B4R0.1 CCC(N)=S HR103772 [2,0,0,0,0,0|1,1,0]=4 315 B4R0.1 CCS(=O)[O-] HR107475 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.1 CC[N+](=O)[O-] ANSA06411 [2,0,0,0,0,0|2,0,0]=4 317 B4R0.1 CNC(=O)Cl HR124675 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 CNC(C)=O HR133410 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.1 CNC(N)=O HR130491 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.1 COC(=N)N HR109396 [2,0,0,0,0,0|2,0,0]=4 321 B4R0.1 COC(=N)N HR124434 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.1 COC(=N)N HR127122 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 COC(=N)N HR128592 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.1 COC(=O)Cl ANSA06440 [2,0,0,0,0,0|1,0,0]=3 325 B4R0.1 COC(N)=O HR124182 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.1 CSC(C)=O HR129778 [2,0,0,0,0,0|0,1,1]=4 327 B4R0.1 NC(=O)CBr HR101040 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.1 NC(=O)CBr HR132005 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.1 NC(=O)CCl HR138619 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.1 NC(=O)CI HR127038 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.1 NCC(=O)O HR123103 [2,0,0,0,0,0|1,0,1]=4 332 B4R0.1 NCC(=O)O HR134482 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.1 NCC(=O)[O-] HR100672 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.1 NCC(=O)[O-] HR132852 [2,0,0,0,0,0|2,0,0]=4 335 B4R0.1 NCC(=O)[O-] HR132860 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.1 NCC(=O)[O-] HR134278 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.1 NCC(=O)[O-] HR136299 [2,0,0,0,0,0|2,0,0]=4 338 B4R0.1 NCC(=O)[O-] HR9921 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.1 NCC(N)=O HR123368 [2,0,0,0,0,0|2,0,0]=4 340 B4R0.1 NCC(N)=O SESA01801 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.1 O=C(Br)CBr POCQ01902 [2,0,0,0,0,0|2,0,0]=4 342 B4R0.1 O=C(Cl)CBr POCQ01905 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.1 O=C(Cl)CCl SQJB01602 [2,0,0,0,0,0|2,0,0]=4 344 B4R0.1 O=C(Cl)CF HR102086 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.1 O=C(O)CBr HR147062 [2,0,0,0,0,0|1,0,1]=4 346 B4R0.1 O=C(O)CCl HR147508 [2,0,0,0,0,0|1,0,1]=4 347 B4R0.1 O=C(O)CO HR128939 [2,0,0,0,0,0|1,0,1]=4 348 B4R0.1 O=C(O)CS HR128237 [2,0,0,0,0,0|1,0,1]=4 349 B4R0.1 O=C([O-])CBr HR116499 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.1 O=C([O-])CI HR131471 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.1 O=C([O-])CO HR134522 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.1 O=C([O-])CS HR135616 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.1 O=C([O-])CS HR135882 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.1 O=C([O-])CS HR136156 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.1 O=C([O-])CS HR137167 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.1 O=CC(=O)O APSA07202 [2,0,0,0,0,0|1,0,0]=3 357 B4R0.1 O=CC(=O)O HR136448 [2,0,0,0,0,0|1,0,0]=3 358 B4R0.1 O=CC(=O)O HR136846 [2,0,0,0,0,0|1,0,0]=3 359 B4R0.2 C#COCC HR126988 [2,0,0,0,0,0|0,0,2]=4 360 B4R0.2 C=CCCBr HR124734 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.2 C=CCCN HR116389 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.2 C=CCCO HR127635 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.2 C=CCOC HR111200 [2,0,0,0,0,0|0,0,1]=3 364 B4R0.2 C=CCSC HR122911 [2,0,0,0,0,0|0,1,1]=4 365 B4R0.2 C=COCC CESA03009 [2,0,0,0,0,0|0,0,0]=2 366 B4R0.2 CCNC=O HR104364 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.2 CCOC=N HR105865 [2,0,0,0,0,0|1,0,0]=3 368 B4R0.2 CC\C=C\Br HR114361 [2,0,0,0,0,0|1,0,0]=3 369 B4R0.2 CSCC=O HR129243 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.2 C\C=C\CC HR121335 [2,0,0,0,0,0|0,0,1]=3 371 B4R0.2 C\C=C\CC HR121956 [2,0,0,0,0,0|0,0,1]=3 372 B4R0.2 C\C=C\CCl HR130392 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 C\C=C\CN HR109640 [2,0,0,0,0,0|1,0,1]=4 374 B4R0.2 C\C=C\OC HR102446 [2,0,0,0,0,0|0,0,1]=3 375 B4R0.2 Cl\C=C\CCl HR127094 [2,0,0,0,0,0|2,0,0]=4 376 B4R0.2 Cl\C=C\CCl HR137813 [2,0,0,0,0,0|2,0,0]=4 377 B6R0.2 CC(=O)NC(C)C ABSA04901 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.2 CC(=O)OC(C)=O NASA01407 [1,1,0,0,0,0|0,0,2]=4 379 B6R0.2 CC(=O)OC(C)Br HR115050 [1,1,0,0,0,0|0,0,1]=3 380 B6R0.2 CC(C)CC(=O)O HR123359 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.2 CC(C)CC(N)=O HR109732 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.2 CC(C)OC(=S)[S-] HR128420 [1,1,0,0,0,0|1,1,0]=4 383 B6R0.2 CC(N)CC(=O)O HR103780 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.2 CC(N)CC(=O)O HR116211 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.2 CC(N)CC(=O)O HR120488 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.2 CC(N)CC(=O)O HR124863 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.2 CC(O)CC(=O)[O-] HR147106 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.3 C=C(CC)C(=O)O HR118672 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.3 CCC(=O)C(=O)O HR128819 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.3 CCC(=O)C(C)=O HR131826 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.3 CCC(Br)C(=O)Cl HR115509 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.3 CCC(Br)C(=O)O HR123595 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.3 CCC(C)C(=O)Cl HR144038 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.3 CCC(C)C(=O)O HR124401 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.3 CCC(C)C(=O)O HR124666 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.3 CCC(C)C(N)=O HR115534 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.3 CCC(Cl)C(=O)O HR104193 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.3 CCC(Cl)C(=O)O HR104505 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.3 CCC(N)C(=O)O HR100731 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.3 CCC(N)C(=O)O HR128531 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.3 CCC(N)C(=O)O HR128797 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.3 CCC(N)C(=O)O HR130831 [1,1,0,0,0,0|2,0,0]=4 403 B6R0.3 CCC(N)C(=O)O VOJL00901 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.3 CCC(N)C(N)=O HR113889 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.3 CCC(N)C(N)=O HR133280 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.3 CCC(O)C(=O)O HR145745 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.3 CCC(O)C(=O)O HR8265 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.3 CCC(S)C(C)=O HR124234 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.3 CCN(C)C(=O)Cl HR16066 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.4 C#CCOC(=O)Cl HR143650 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.4 C=C(C)CNCC HR128262 [1,1,0,0,0,0|2,0,0]=4 412 B6R0.4 CC(=O)CCCBr HR147487 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.4 CC(=O)CCCCl HR100024 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.4 CC(=O)CCCO HR136959 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.4 CC(=O)NCCN HR128075 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.4 CC(=O)NCCO HR100613 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.4 CC(=O)OCCBr HR131354 [1,1,0,0,0,0|0,0,1]=3 418 B6R0.4 CCCCC(=O)Cl HR147689 [1,1,0,0,0,0|2,0,0]=4 419 B6R0.4 CCCCC(=O)[O-] HR143929 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.4 CCCCC(N)=O HR110039 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.4 CCCSC(C)=O HR137881 [1,1,0,0,0,0|0,1,1]=4 422 B6R0.4 CCNCC(=O)O HR105131 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.4 CCOCC(=O)O HR123178 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.4 CNCCC(=O)O HR100194 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.4 CSCCC(C)=O HR133952 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.4 NCCCC(=O)O HR130958 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.4 O=C(Cl)CCCBr HR102428 [1,1,0,0,0,0|2,0,0]=4 428 B6R0.4 O=C(Cl)CCCCl HR129406 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.4 O=C(Cl)OCCCl HR132842 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.4 O=C(Cl)OCCCl HR17418 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.4 O=C(O)CCCBr HR131673 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.4 O=C(O)CCCCl HR120152 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.5 CCOP(=O)(Cl)Cl HR130973 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.5 CCOS(C)(=O)=O HR131022 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.6 C=CCCCCBr HR137464 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.6 C=CCCCCCl HR113553 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.6 C=CCCCCN HR143196 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.6 C=CCCCCO HR120838 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.6 C=CCOCCO HR133981 [1,1,0,0,0,0|0,0,1]=3 440 B6R0.6 C=CCSCCC HR130566 [1,1,0,0,0,0|0,1,1]=4 441 B6R0.6 C=CCSSCC HR131362 [1,1,0,0,0,0|0,1,1]=4 442 B6R0.6 C=COCCCC PAJB01004 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.6 CCC\C=C\C=O HR127670 [1,1,0,0,0,0|1,0,0]=3 444 B6R0.6 CCC\C=C\CO HR127397 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.6 CCO\C=C\C#N HR109030 [1,1,0,0,0,0|0,0,1]=3 446 B6R0.6 C\C=C\C=C\C=O HR122495 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.6 C\C=C\C=C\CO HR126927 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.6 C\C=C\CCCC HR145495 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.6 C\C=C\CCCO HR110400 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.6 C\C=C\CCCO HR111291 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.6 O=CCOCCO HR117228 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.9 C=CC(OC)OC HR128249 [1,1,0,0,0,0|0,0,2]=4 453 B8R0.2 CCC(C)C(=O)C(=O)O HR136223 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.2 CCC(C)C(=O)C(=O)[O-] HR105983 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.5 CC(C)OC(=O)CC#N HR136578 [0,2,0,0,0,0|0,0,2]=4 456 B8R0.5 CC(C)OC(=O)CCS HR117191 [0,2,0,0,0,0|0,0,2]=4 457 B8R0.5 CC(C)OC(=O)OCCl HR138445 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.5 CC(C)OC(=O)\C=C\I SESA05104 [0,2,0,0,0,0|0,0,0]=2 459 B8R0.5 CCOC(=O)C=C(C)C HR123584 [0,2,0,0,0,0|0,0,0]=2 460 B8R0.5 CCOC(=O)CC(=N)N HR111201 [0,2,0,0,0,0|0,0,1]=3 461 B8R0.5 CCOC(=O)CC(=O)Cl HR105395 [0,2,0,0,0,0|0,0,1]=3 462 B8R0.5 CCOC(=O)CC(=O)O HR125762 [0,2,0,0,0,0|0,0,1]=3 463 B8R0.5 CCOC(=O)CC(C)=O BRSA08315 [0,2,0,0,0,0|0,0,1]=3 464 B8R0.5 CCOC(=O)CC(C)=O HR134952 [0,2,0,0,0,0|0,0,1]=3 465 B8R0.5 CCOC(=O)CC(C)O HR103958 [0,2,0,0,0,0|0,0,2]=4 466 B8R0.5 CCOC(=O)CC(C)O HR115663 [0,2,0,0,0,0|0,0,2]=4 467 B8R0.5 CCOC(=O)CC(C)O HR126277 [0,2,0,0,0,0|0,0,2]=4 468 B8R0.5 CCOC(=O)CC(C)S HR114517 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.5 CCOC(=O)CC(N)=O HR32504 [0,2,0,0,0,0|0,0,1]=3 470 B8R0.5 CCOC(=O)CC(N)=S HR111280 [0,2,0,0,0,0|0,0,1]=3 471 B8R0.5 CCOC(=O)CN(C)C HR135000 [0,2,0,0,0,0|0,0,2]=4 472 B8R0.5 CCOC(=O)C[N+](=O)[O-] HR125868 [0,2,0,0,0,0|1,0,1]=4 473 B8R0.5 CCOC(=O)OC(C)Cl HR127687 [0,2,0,0,0,0|0,0,2]=4 474 B8R0.5 CCOC(=O)OC(C)I HR138111 [0,2,0,0,0,0|0,0,2]=4 475 B8R0.5 CCOC(=O)\C=C(/C)N HR137824 [0,2,0,0,0,0|0,0,0]=2 476 B8R0.5 CCOC(=O)\C=C(\C)N HR122434 [0,2,0,0,0,0|0,0,0]=2 477 B8R0.19 C=CC(=O)OC(=O)C=C HR121803 [0,2,0,0,0,0|0,0,2]=4 478 B8R0.23 C=C(C)C(=O)NC(C)C HR105518 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.23 CC(C)CC(=O)C(=O)O HR122104 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR105375 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138461 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138724 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.23 CC(C)OC(=O)C(C)N HR116348 [0,2,0,0,0,0|0,0,2]=4 484 B8R0.23 CC(C)OC(=O)C(C)N HR142603 [0,2,0,0,0,0|0,0,2]=4 485 B8R0.23 CC(C)OC(=O)C(C)N HR146754 [0,2,0,0,0,0|0,0,2]=4 486 B8R0.23 CC(C)OC(=O)C(C)O HR143818 [0,2,0,0,0,0|0,0,2]=4 487 B8R0.24 C#CC(=O)OC(C)(C)C HR138337 [0,2,0,0,0,0|0,0,2]=4 488 B8R0.24 C=CC(=C)O[Si](C)(C)C HR112226 [0,2,0,0,0,0|1,1,0]=4 489 B8R0.24 C=CC(=O)NC(C)(C)C HR142743 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.24 C=CC(=O)O[Si](C)(C)C HR103171 [0,2,0,0,0,0|0,1,0]=3 491 B8R0.24 CC(C)(C)OC(=O)CBr REJL01706 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.24 CC(C)(C)OC(=O)CN HR122571 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.24 CC(C)(C)OC(=O)CO HR113961 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.24 CC(C)(C)OC(=O)NN ALSA02102 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.24 CC(C)(C)OC(=O)NO HR134020 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.1 CCCC(=O)OCSC HR128277 [0,2,0,0,0,0|0,0,2]=4 497 B8R0.1 CCCOC(=O)CCS HR117505 [0,2,0,0,0,0|0,0,2]=4 498 B8R0.1 CCOC(=O)CCCBr HR133499 [0,2,0,0,0,0|0,0,2]=4 499 B8R0.1 CCOC(=O)CCCN HR142861 [0,2,0,0,0,0|0,0,2]=4 500 B8R0.1 CCOC(=O)CCC[Zn+] HR140860 [0,2,0,0,0,0|0,0,2]=4 501 B8R0.1 CCOC(=O)CN=C=O DASA02404 [0,2,0,0,0,0|0,0,2]=4 502 B8R0.1 CCOC(=O)CN=C=S HR127339 [0,2,0,0,0,0|0,0,2]=4 503 B8R0.1 CCOC(=O)CNC=O HR110895 [0,2,0,0,0,0|0,0,1]=3 504 B8R0.1 CCOC(=O)NCCCl HR139857 [0,2,0,0,0,0|0,0,2]=4 505 B8R0.1 CCOC(=O)\C=C\C#N HR136519 [0,2,0,0,0,0|0,0,0]=2 506 B8R0.1 CCOC(=O)\C=C\C=O HR120200 [0,2,0,0,0,0|0,0,0]=2 507 B8R0.1 CCOC(=O)\C=C\CBr HR131502 [0,2,0,0,0,0|0,0,0]=2 508 B8R0.1 C\C=C\C(=O)CCCC HR108746 [0,2,0,0,0,0|1,0,0]=3 509 B8R0.1 C\C=C\CC(=O)OCC HR142218 [0,2,0,0,0,0|0,0,0]=2 510 B8R0.3 C=C(C#N)C(=O)OCC HR106324 [0,2,0,0,0,0|0,0,0]=2 511 B8R0.3 C=C(CBr)C(=O)OCC HR109438 [0,2,0,0,0,0|0,0,0]=2 512 B8R0.3 C=C(CCl)C(=O)OCC HR112979 [0,2,0,0,0,0|0,0,0]=2 513 B8R0.3 C=C(CO)C(=O)OCC HR110396 [0,2,0,0,0,0|0,0,0]=2 514 B8R0.3 CCOC(=O)C(=O)CBr NSJB02101 [0,2,0,0,0,0|0,0,1]=3 515 B8R0.3 CCOC(=O)C(=O)CC HR105760 [0,2,0,0,0,0|0,0,1]=3 516 B8R0.3 CCOC(=O)C(Br)CBr HR129498 [0,2,0,0,0,0|0,0,2]=4 517 B8R0.3 CCOC(=O)C(Br)CC HR135114 [0,2,0,0,0,0|0,0,2]=4 518 B8R0.3 CCOC(=O)C(C)C#N HR121152 [0,2,0,0,0,0|0,0,2]=4 519 B8R0.3 CCOC(=O)C(C)C=O HR112338 [0,2,0,0,0,0|0,0,1]=3 520 B8R0.3 CCOC(=O)C(C)CC HR129683 [0,2,0,0,0,0|0,0,2]=4 521 B8R0.3 CCOC(=O)C(C)CC HR138244 [0,2,0,0,0,0|0,0,2]=4 522 B8R0.3 CCOC(=O)C(C)CN HR117532 [0,2,0,0,0,0|0,0,2]=4 523 B8R0.3 CCOC(=O)C(Cl)CCl HR119653 [0,2,0,0,0,0|0,0,2]=4 524 B8R0.3 CCOC(=O)C(N)CC HR103721 [0,2,0,0,0,0|0,0,2]=4 525 B8R0.3 CCOC(=O)C(N)CO HR127361 [0,2,0,0,0,0|0,0,2]=4 526 B8R0.3 CCOC(=O)C(N)CO HR142606 [0,2,0,0,0,0|0,0,2]=4 527 B8R0.3 CCOC(=O)C(N)CS HR136050 [0,2,0,0,0,0|0,0,2]=4 528 B8R0.3 CCOC(=O)C(S)CC HR118467 [0,2,0,0,0,0|0,0,2]=4 529 B8R0.3 CCOC(=O)\C(Cl)=N/O HR130373 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.3 C\C=C(\C)C(=O)OCC HR128479 [0,2,0,0,0,0|0,0,0]=2 531 B8R0.3 C\C=C\C(=O)C(C)CC HR137024 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.6 C=CC(=O)CCCCC HR128010 [0,2,0,0,0,0|1,0,0]=3 533 B8R0.6 C=CC(=O)OCCC#N HR142546 [0,2,0,0,0,0|0,0,0]=2 534 B8R0.6 C=CC(=O)OCCOC HR136408 [0,2,0,0,0,0|0,0,0]=2 535 B8R0.6 CCCCOC(=O)CO HR135884 [0,2,0,0,0,0|1,0,1]=4 536 B8R0.6 CCCCOC(=O)CS HR123589 [0,2,0,0,0,0|1,0,1]=4 537 B8R0.6 COC(=O)COCCCl HR118852 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.8 C=C(C)C(=O)OCCC HR115069 [0,2,0,0,0,0|0,0,0]=2 539 B8R0.8 C=C(C)C(=O)OCCN HR143632 [0,2,0,0,0,0|0,0,0]=2 540 B8R0.8 C=C(C)C(=O)OCCO HR133745 [0,2,0,0,0,0|0,0,0]=2 541 B8R0.8 CCCCC(=O)C(C)=O HR133012 [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|0,0,2]=4 543 B8R0.8 CCCOC(=O)C(C)O HR143626 [0,2,0,0,0,0|0,0,2]=4 544 B8R0.14 CCOC(=O)C(C)(C)Br HR146771 [0,2,0,0,0,0|0,0,2]=4 545 B8R0.14 CCOC(=O)C(C)(C)C HR128943 [0,2,0,0,0,0|0,0,2]=4 546 B8R0.14 CCOC(=O)C(C)(C)N HR108303 [0,2,0,0,0,0|0,0,2]=4 547 B8R0.14 CCOC(=O)C(C)(F)F HR142540 [0,2,0,0,0,0|0,0,2]=4 548 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl HR133986 [0,2,0,0,0,0|1,0,1]=4 549 B8R0.14 CCOC(=O)C(F)(Br)Br HR128666 [0,2,0,0,0,0|1,0,1]=4 550 B8R0.14 CCOC(=O)C(F)(F)Br HR16953 [0,2,0,0,0,0|1,0,1]=4 551 B8R0.14 CCOC(=O)C(F)(F)Cl HR123102 [0,2,0,0,0,0|1,0,1]=4 552 B8R0.14 CCOC(=O)C(F)(F)F HR30001 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.14 CCOC(=O)C(F)(F)I HR127216 [0,2,0,0,0,0|1,0,1]=4 554 B8R0.22 C=CC(OCC)OCC AVSA08213 [0,2,0,0,0,0|0,0,2]=4 555 B8R0.20 C=CC(=O)N(CC)CC HR110467 [0,2,0,0,0,0|1,0,0]=3 556 B6R1.2 ClC1=CCCC1 HR140861 [1,0,0,1,0,0|2,0,0]=4 557 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,1,0,0|1,0,1]=4 558 B6R1.2 O=C1C=CCO1 HR119486 [1,0,0,1,0,0|0,0,1]=3 559 B6R1.2 O=C1CCCC1 HR147576 [1,0,0,1,0,0|1,0,1]=4 560 B6R1.2 O=C1CCCN1 HR144424 [1,0,0,1,0,0|1,0,1]=4 561 B6R1.2 O=C1CCCN1 HR147307 [1,0,0,1,0,0|1,0,1]=4 562 B6R1.2 O=C1NCCN1 HR124833 [1,0,0,1,0,0|2,0,0]=4 563 B6R1.2 O=C1NCCN1 HR138382 [1,0,0,1,0,0|2,0,0]=4 564 B6R1.2 O=C1NCCO1 HR134554 [1,0,0,1,0,0|1,0,0]=3 565 B6R1.2 O=C1NCCS1 HR14582 [1,0,0,1,0,0|1,1,0]=4 566 B6R1.2 O=C1OCCO1 APSA06102 [1,0,0,1,0,0|1,0,0]=3 567 B6R1.2 O=S1OCCO1 HR134061 [1,0,0,1,0,0|2,0,0]=4 568 B6R1.5 CC1CC(=O)C1 HR121137 [1,0,0,1,0,0|1,0,1]=4 569 B6R1.11 CC(=O)C1CC1 HR134464 [1,0,0,1,0,0|1,0,1]=4 570 B6R1.11 NC(=O)C1CC1 HR21401 [1,0,0,1,0,0|2,0,0]=4 571 B6R1.11 O=C(Cl)C1CC1 FISA07805 [1,0,0,1,0,0|2,0,0]=4 572 B6R1.11 O=C(O)C1CC1 HR133116 [1,0,0,1,0,0|2,0,0]=4 573 B6R1.1 C1=CCCC=C1 HR147137 [1,0,0,1,0,0|1,0,0]=3 574 B6R1.1 C1=COCCC1 HR126451 [1,0,0,1,0,0|0,0,1]=3 575 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [0,1,0,1,0,0|0,0,1]=3 576 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [0,1,0,1,0,0|0,1,1]=4 577 B8R1.1 CC1=CC=C(CO)O1 HR141630 [0,1,0,1,0,0|0,0,2]=4 578 B8R1.1 CCC1=CC=C(C)S1 HR107230 [0,1,0,1,0,0|1,1,0]=4 579 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,1,0,1,0,0|0,0,2]=4 580 B8R1.1 CCN1C=CC(N)=N1 HR118461 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.1 CN1C=CC(C=O)=N1 HR115618 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.1 CSC1=CC=C(C)O1 HR132044 [0,1,0,1,0,0|0,1,1]=4 583 B8R1.1 O=C1C=CC(CO)O1 HR108465 [0,1,0,1,0,0|0,0,0]=2 584 B8R1.1 O=C1C=CC(CO)O1 HR7063 [0,1,0,1,0,0|0,0,0]=2 585 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,1,0,1,0,0|0,0,2]=4 586 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,1,0,1,0,0|0,0,2]=4 587 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,1,0,1,0,0|0,0,2]=4 588 B8R1.1 O=C1NCC(CCl)O1 HR101243 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.1 O=C1NCC(CCl)O1 HR105324 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.1 O=CC1=CC=C(Br)O1 HR139603 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.1 O=CC1=CC=C(I)O1 HR117581 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.4 CC1=CN=CC(=O)N1 HR110908 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.4 O=C1CCCC(=O)N1 HR139848 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.4 O=C1CCNC(=O)N1 HR117246 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.18 C=C1CC(=O)OC1=O HR123885 [0,1,0,1,0,0|0,0,1]=3 602 B8R1.18 CC1=C(C)OC(=O)O1 HR138965 [0,1,0,1,0,0|0,0,2]=4 603 B8R1.18 CC1=CC(=O)C(C)O1 HR125615 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.18 CC1=CC(=O)OC1=O HR122406 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.18 CC1=CC(=O)OC1O HR135109 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.18 CC1=CC(S)=C(C)O1 HR123446 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.18 CC1NC(=O)OC1=O HR100336 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.2 C=CC1CNCCO1 HR146087 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.2 C=CC1COCCN1 HR146088 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.2 N#CC1=CCCCO1 HR120057 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.2 O=CC1=CCCCC1 HR124654 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.2 O=CC1=CCCOC1 HR106218 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.3 CC1=NNC(=O)C=C1 HR125138 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.3 CC1CNC(=O)CO1 HR148882 [0,1,0,1,0,0|1,0,1]=4 616 B8R1.5 C=C1CCCCC1=C HR100430 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.5 O=C1CCCCC1=O HR133849 [0,1,0,1,0,0|1,0,1]=4 618 B8R1.22 O=C1C=CCCCC1 HR146270 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.22 O=C1CCCCCO1 HR107144 [0,1,0,1,0,0|0,0,2]=4 620 B8R1.22 O=C1CCCCCO1 HR120205 [0,1,0,1,0,0|0,0,2]=4 621 B8R1.50 CC1=C(O)C(=O)CC1 HR129501 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.50 CC1=C(O)C(=O)CO1 HR125202 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.50 O=C1OCC(O)C1O HR120212 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.37 CCOC(=O)C1CC1 HR132331 [0,1,0,1,0,0|0,0,2]=4 626 B8R1.37 CCOC(=O)C1CO1 HR117347 [0,1,0,1,0,0|0,0,2]=4 627 B8R1.37 CCOC(=O)C1CO1 HR119319 [0,1,0,1,0,0|0,0,2]=4 628 B8R1.37 C\C=C\C(=O)C1CC1 HR116501 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.8 CCCC1=CSC=C1 HR111780 [0,1,0,1,0,0|1,1,0]=4 630 B8R1.8 CCCC1=NC=CN1 HR125523 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.8 CCCC1=NC=CS1 HR129777 [0,1,0,1,0,0|1,1,0]=4 632 B8R1.8 CCCc1cccs1 HR132275 [0,1,0,1,0,0|1,1,0]=4 633 B8R1.8 CCOC1=NC=CS1 HR132829 [0,1,0,1,0,0|0,1,0]=3 634 B8R1.11 C=CN1CCCC1=O HR130278 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.11 C=CN1CCCC1=O HR131788 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.11 CCN1C=CN=C1C HR142503 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.11 CCN1N=CC=C1N HR136975 [0,1,0,1,0,0|2,0,0]=4