0 B8R0.5 CC(C)OC(=O)OCCl 239635 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.5 CCOC(=O)C=C(C)C 224509 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.5 CCOC(=O)CC(=O)Cl 069285 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.5 CCOC(=O)CC(=O)[O-] 214619 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.5 CCOC(=O)CC(C)=O 044857 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.5 CCOC(=O)CC(C)=O 104605 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.5 CCOC(=O)CC(C)C 098989 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.5 CCOC(=O)CC(C)O 093719 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.5 CCOC(=O)C[C@@H](C)O 078582 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.5 CCOC(=O)C[N+](=O)[O-] 002925 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.5 CCOC(=O)NC(N)=O 013569 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.5 CCOC(=O)OC(C)Cl 238068 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.5 CCOC(=O)\C=C(\C)N 139000 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.2 CC(C)NC(=O)CCl 307988 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.2 CNC(=O)CC(C)=O 240984 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.2 COC(=O)C=C(C)C 358413 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.2 COC(=O)CC(=O)Cl 013167 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.2 COC(=O)CC(=O)O 227679 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.2 COC(=O)CC(=O)[O-] 092550 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.2 COC(=O)CC(C)=O 094497 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.2 COC(=O)CC(C)C 046834 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.2 COC(=O)CC(N)=O 323080 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.2 COC(=O)CN(C)C 099922 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.2 COC(=O)C[C@@H](C)O 079225 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.2 COC(=O)C[C@H](C)O 208678 [1,0,0,0,0,0|0,0,0]=1 25 B7R0.2 COC(=O)\C=C(\C)N 078507 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 CCCCCC(C)O 235688 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.7 C=COC(=O)CCC 005032 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.7 CC#CC(=O)OCC 095163 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.7 CCCC(N)CCC 144200 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.7 CCNC(=O)CC#N 069313 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.7 CCNC(=O)OCC 106284 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.7 CCNC(=S)NCC 098974 [1,0,0,0,0,0|2,1,0]=4 33 B7R0.7 CCOC(=O)C=[N+]=[N-] 520479 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.7 CCOC(=O)CC#N 022111 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.7 CCOC(=O)CCBr 225998 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.7 CCOC(=O)CCI 078702 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.7 CCOC(=O)CCN 002479 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.7 CCOC(=O)CNC 221430 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.7 CCOC(=O)CNN 067177 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.7 CCOC(=O)COC 013938 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.7 CCOC(=O)CSC 449224 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.7 CCOC(=O)N=C=S 002560 [1,0,0,0,0,0|1,1,1]=4 43 B7R0.7 CCOC(=O)OCC 094694 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.7 CCOC(C)OCC 358253 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.7 CCOS(=O)OCC 099079 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.7 CCO[PH](=O)OCC 094551 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.7 C\C=C\C(=O)OCC 098555 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.7 [C-]#[N+]CC(=O)OCC 358365 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.4 C=CCOC(=O)CC(C)=O 358281 [0,1,0,0,0,0|0,0,3]=4 50 B9R0.4 CCCCC(=O)CC(C)=O 103427 [0,1,0,0,0,0|1,0,2]=4 51 B9R0.6 CCOC(=O)C(Br)C(C)C 079431 [0,1,0,0,0,0|1,0,0]=2 52 B9R0.6 CCOC(=O)C(C)C(C)=O 079640 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] 103241 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.6 CCOC(=O)C(Cl)C(C)=O 069254 [0,1,0,0,0,0|0,0,2]=3 55 B9R0.6 CCOC(=O)C(F)C(C)=O 008668 [0,1,0,0,0,0|0,0,2]=3 56 B9R0.6 CCOC(=O)C(N)C(C)C 002960 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.6 CCOC(=O)[C@H](N)C(C)C 222219 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.34 CCCC(=O)CC(=O)OC 208939 [0,1,0,0,0,0|1,0,2]=4 59 B9R0.34 CCOC(=O)CC(=O)CBr 076501 [0,1,0,0,0,0|0,0,2]=3 60 B9R0.34 CCOC(=O)CC(=O)CC 018694 [0,1,0,0,0,0|0,0,2]=3 61 B9R0.34 CCOC(=O)C[C@@H](O)CCl 079716 [0,1,0,0,0,0|0,0,0]=1 62 B9R0.34 CCOC(=O)C[C@H](O)CCl 091498 [0,1,0,0,0,0|0,0,0]=1 63 B9R0.34 CCOC(=O)NC(=O)CCl 009707 [0,1,0,0,0,0|1,0,2]=4 64 B9R0.34 CCOC(C)O[C@H](C)CO 104064 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.44 CCCC(=O)OC(C)(C)C 102742 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.44 CCNC(=O)OC(C)(C)C 474542 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.44 CCOC(=O)CC(C)(C)C 466687 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.44 CCOC(=O)CC(C)(F)F 094758 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.44 CCOC(=O)CC(F)(F)F 034728 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.44 CCOC(=O)CS(C)(=O)=O 003724 [0,1,0,0,0,0|1,0,1]=3 71 B9R0.53 CC(=O)CC(=O)CC(C)C 156900 [0,1,0,0,0,0|1,0,2]=4 72 B9R0.53 CC(C)CC(=O)CC(C)C 242812 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.53 CC(C)OC(=O)OC(C)Cl 241282 [0,1,0,0,0,0|2,0,0]=3 74 B9R0.53 CC(C)O[PH](=O)OC(C)C 240976 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.22 CCN1N=C(C)CC1=O 180064 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.34 CC1CC(=O)CC(=O)C1 011195 [0,0,0,1,0,0|1,0,2]=4 77 B9R1.34 CC1CC(=O)OC(=O)C1 358400 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.38 CC1(C)CC(=O)OC1=O 002557 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.41 CC(=O)C1CCOC1=O 462873 [0,0,0,1,0,0|0,0,2]=3 80 B9R1.41 CC(C)N1CCNC1=O 063013 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.66 CC1(C)CC(=O)CCO1 043695 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.137 CC(C)OC(=O)C1CC1 102849 [0,0,0,1,0,0|3,0,0]=4 83 B7R0.5 C(F)(Br)C(=O)OCC 003215 [0,0,0,0,1,0|2,0,0]=3 84 B7R0.5 C(F)(Cl)C(=O)OCC 003216 [0,0,0,0,1,0|2,0,0]=3 85 B7R0.5 C(F)(F)C(=O)OCC 003219 [0,0,0,0,1,0|2,0,0]=3 86 B7R0.5 C=C(C)C(=O)OCC 098938 [0,0,0,0,1,0|1,0,1]=3 87 B7R0.5 CC(C)C(=O)OCCl 424728 [0,0,0,0,1,0|2,0,0]=3 88 B7R0.5 CCCC(=O)C(C)=O 099591 [0,0,0,0,1,0|1,0,2]=4 89 B7R0.5 CCOC(=O)C(=O)Cl 024489 [0,0,0,0,1,0|1,0,2]=4 90 B7R0.5 CCOC(=O)C(C)=O 033125 [0,0,0,0,1,0|0,0,2]=3 91 B7R0.5 CCOC(=O)C(C)Br 006095 [0,0,0,0,1,0|1,0,0]=2 92 B7R0.5 CCOC(=O)C(C)C 094936 [0,0,0,0,1,0|1,0,0]=2 93 B7R0.5 CCOC(=O)C(C)Cl 098895 [0,0,0,0,1,0|1,0,0]=2 94 B7R0.5 CCOC(=O)C(C)F 038173 [0,0,0,0,1,0|1,0,0]=2 95 B7R0.5 CCOC(=O)C(C)N 003681 [0,0,0,0,1,0|1,0,0]=2 96 B7R0.5 CCOC(=O)C(C)S 101529 [0,0,0,0,1,0|0,1,0]=2 97 B7R0.5 CCOC(=O)C(F)I 009177 [0,0,0,0,1,0|2,0,0]=3 98 B7R0.5 CCOC(=O)C(N)=O 221464 [0,0,0,0,1,0|1,0,2]=4 99 B7R0.5 CCOC(=O)C(N)=S 078641 [0,0,0,0,1,0|1,1,1]=4 100 B7R0.5 CCOC(=O)[C@H](C)N 003682 [0,0,0,0,1,0|1,0,0]=2 101 B7R0.5 CCOC(=O)[C@H](C)O 095008 [0,0,0,0,1,0|0,0,0]=1 102 B9R0.48 C=C(C)CCC(=O)OCC 521452 [0,0,0,0,0,1|1,0,1]=3 103 B9R0.48 CCOC(=O)CCC(=O)Cl 470799 [0,0,0,0,0,1|1,0,2]=4 104 B9R0.48 CCOC(=O)CCC(C)=O 094793 [0,0,0,0,0,1|0,0,2]=3 105 B9R0.48 CCOC(=O)CCC(N)=O 040133 [0,0,0,0,0,1|1,0,2]=4 106 B9R0.48 CCOC(=O)CNC(C)=O M03018 [0,0,0,0,0,1|0,0,2]=3 107 B9R0.48 CCOC(=O)CNC(C)C 033421 [0,0,0,0,0,1|1,0,0]=2 108 B9R0.48 CCOC(=O)\C=C\C(=O)O 222100 [0,0,0,0,0,1|1,0,2]=4 109 B9R0.48 CCOC(=O)\C=C\N(C)C 043422 [0,0,0,0,0,1|2,0,1]=4 110 B6R0.1 C#CC(=O)OCC 003001 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.1 C=CC(=O)OCC 094594 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.1 C=CCC(=O)OC 513980 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.1 C=COC(=O)CC 005111 [2,0,0,0,0,0|0,0,2]=4 114 B6R0.1 CC#CC(=O)OC 155800 [2,0,0,0,0,0|0,0,2]=4 115 B6R0.1 CCCC(=O)NN 018345 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.1 CCCC(=O)OC 358407 [2,0,0,0,0,0|0,0,0]=2 117 B6R0.1 CCNC(=O)CCl 069838 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.1 CCNC(=O)CN 075036 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.1 CCNC(=O)OC 104168 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.1 CCOC(=O)C#N 046945 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.1 CCOC(=O)C=O 079534 [2,0,0,0,0,0|0,0,2]=4 122 B6R0.1 CCOC(=O)CBr 006091 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.1 CCOC(=O)CC 094652 [2,0,0,0,0,0|0,0,0]=2 124 B6R0.1 CCOC(=O)CCl 097784 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.1 CCOC(=O)CF 019465 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.1 CCOC(=O)CI 324768 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.1 CCOC(=O)CN 094472 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.1 CCOC(=O)CO 227697 [2,0,0,0,0,0|0,0,0]=2 129 B6R0.1 CCOC(=O)CS 099611 [2,0,0,0,0,0|0,1,0]=3 130 B6R0.1 CCOC(=O)NN 208618 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.1 CCO\C(C)=N/O 036372 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.1 CNC(=O)CCBr 104783 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.1 CNCC(=O)OC M03234 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.1 COC(=O)CC#N 034870 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.1 COC(=O)CCBr 216315 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.1 COC(=O)CCI 103108 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.1 COC(=O)CCN 032703 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.1 COC(=O)CCO 223297 [2,0,0,0,0,0|0,0,0]=2 139 B6R0.1 COC(=O)CCS 053164 [2,0,0,0,0,0|0,1,0]=3 140 B6R0.1 COC(=O)CSC 002978 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.1 COCC(=O)OC 358440 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.1 C\C=C\C(=O)OC 236942 [2,0,0,0,0,0|0,0,2]=4 143 B6R0.1 O=C(CCl)NCO 242902 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.1 [C-]#[N+]CC(=O)OC 358364 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.2 CC(=O)CC(C)=O 100600 [2,0,0,0,0,0|0,0,2]=4 146 B6R0.2 CC(=O)CC(C)C 044985 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.2 CC(=O)CC(C)C 102383 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.2 CC(=O)NC(C)C 208609 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.2 CC(=O)OC(C)C 099370 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.2 CC(C)CC(=O)Cl 520885 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.2 CC(C)CC(=O)O 242835 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.2 CC(C)CC(C)O 242810 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.2 CC(C)CC(N)=O 342138 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.2 CC(N)CC(=O)O 208617 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.2 CC(O)CN(C)C 092070 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.2 CN(C)CC(=O)O 044353 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.2 CN(C)CC(=O)O 216339 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.2 C[C@@H](N)CC(=O)O 034436 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.2 C[C@@H](N)CC(=O)O 078594 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.2 O=C(O)CC(=O)O 020000 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.4 CC(O)CCCO 386330 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.4 CCC#CC(C)O 105445 [2,0,0,0,0,0|0,0,2]=4 163 B6R0.4 CCCCC(C)N 214315 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.4 CCCC[C@@H](C)O 036116 [2,0,0,0,0,0|0,0,1]=3 165 B6R0.4 CCOCC(=O)O 461062 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.6 CCC#CCCO 145806 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.6 CCCCCCC 044743 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.6 CCCCCCC 099896 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.6 CCCCCCC 107019 [2,0,0,0,0,0|1,0,1]=4 170 B6R0.6 CCCCCCC 995188 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.6 CCCCCCO 349294 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.6 CCCCNCC 097790 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.6 CCCNCCC 102049 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.6 CCCNCCO 069279 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.6 CCNCCCO 387141 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.6 CCOCCCN 097753 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.6 CCOCOCC 094651 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.6 CC\C=C/CCO 240925 [2,0,0,0,0,0|1,0,0]=3 179 B8R0.2 COC(=O)C(Br)C(C)C 078833 [1,1,0,0,0,0|1,0,0]=3 180 B8R0.2 COC(=O)C(Cl)C(C)=O 094734 [1,1,0,0,0,0|0,0,2]=4 181 B8R0.2 COC(=O)C(N)C(C)C M03137 [1,1,0,0,0,0|1,0,0]=3 182 B8R0.2 COC(=O)[C@@H](N)C(C)C 003820 [1,1,0,0,0,0|1,0,0]=3 183 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O M02985 [1,1,0,0,0,0|0,0,0]=2 184 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O 463143 [1,1,0,0,0,0|0,0,0]=2 185 B8R0.19 CCC(=O)CC(=O)OC 023871 [1,1,0,0,0,0|0,0,2]=4 186 B8R0.19 CCC(C)CC(=O)OC 097640 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.19 COC(=O)CC(=O)OC 996204 [1,1,0,0,0,0|0,0,2]=4 188 B8R0.19 COC(=O)CN(C)C=O 215118 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.23 CC(C)CC(=O)N(C)C 371931 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.23 CC(C)OC(=O)[C@H](C)N M02938 [1,1,0,0,0,0|2,0,0]=4 191 B8R0.24 CCC(=O)NC(C)(C)C 094519 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.24 CCC(=O)OC(C)(C)C 239674 [1,1,0,0,0,0|2,0,0]=4 193 B8R0.24 COC(=O)CC(C)(C)C 101635 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.24 COC(=O)CC(C)(F)F 094478 [1,1,0,0,0,0|1,0,0]=3 195 B8R0.24 COC(=O)CS(C)(=O)=O 003762 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.28 CC(O)CNCC(C)O 240941 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.1 CCCCC(=O)OCC 241120 [1,1,0,0,0,0|0,0,0]=2 198 B8R0.1 CCOC(=O)CCC#N 332295 [1,1,0,0,0,0|0,0,1]=3 199 B8R0.1 CCOC(=O)CCCBr 139400 [1,1,0,0,0,0|0,0,0]=2 200 B8R0.1 CCOC(=O)CCCI 227460 [1,1,0,0,0,0|0,0,0]=2 201 B8R0.1 CCOC(=O)CCCN 033082 [1,1,0,0,0,0|0,0,0]=2 202 B8R0.1 CCOC(=O)CN=C=O 018685 [1,1,0,0,0,0|0,0,2]=4 203 B8R0.1 CCOC(=O)CN=C=S 008963 [1,1,0,0,0,0|0,1,1]=4 204 B8R0.1 CCOC(=O)CN=[N+]=[N-] 104840 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.1 CCOC(=O)CSCC 094645 [1,1,0,0,0,0|0,0,0]=2 206 B8R0.1 CCOC(=O)\C=C\CBr 358026 [1,1,0,0,0,0|0,0,2]=4 207 B8R0.3 CCOC(=O)C(=O)CBr 067144 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.3 CCOC(=O)C(=O)CC 075979 [1,1,0,0,0,0|0,0,1]=3 209 B8R0.3 CCOC(=O)C(Br)CBr 044874 [1,1,0,0,0,0|1,0,0]=3 210 B8R0.3 CCOC(=O)C(Br)CC 008678 [1,1,0,0,0,0|0,0,0]=2 211 B8R0.3 CCOC(=O)C(C)C#N 050345 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.3 CCOC(=O)C(C)CC 099207 [1,1,0,0,0,0|0,0,0]=2 213 B8R0.3 CCOC(=O)[C@@H](N)CS M03085 [1,1,0,0,0,0|0,1,0]=3 214 B8R0.3 CCOC(=O)\C(Cl)=N\O 047343 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.3 CCOC(=O)\C(N)=N/O 047338 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.3 CCOC(=O)\C(N)=N\O 319222 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.3 C\C=C(/C)C(=O)OCC 104013 [1,1,0,0,0,0|0,0,2]=4 218 B8R0.3 [C@H](N)(CO)C(=O)OCC 222175 [1,1,0,0,0,0|0,0,0]=2 219 B8R0.30 CCCS(=O)(=O)CCC 008053 [1,1,0,0,0,0|2,0,0]=4 220 B8R0.30 CCOP(=O)(Cl)OCC 046933 [1,1,0,0,0,0|2,0,0]=4 221 B8R0.30 CCOP(=O)([O-])OCC 180417 [1,1,0,0,0,0|2,0,0]=4 222 B8R0.30 CCOP(=O)([S-])OCC 099519 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.30 CCOP(N)(=O)OCC 105709 [1,1,0,0,0,0|2,0,0]=4 224 B8R0.30 CCOS(=O)(=O)OCC 098985 [1,1,0,0,0,0|2,0,0]=4 225 B8R0.14 CC(C)(C)C(=O)OCCl 035584 [0,1,0,0,1,0|2,0,0]=4 226 B8R0.14 CC(C)(C)C(=O)OCI 235580 [0,1,0,0,1,0|2,0,0]=4 227 B8R0.14 CCOC(=O)C(C)(C)Br 093529 [0,1,0,0,1,0|1,0,0]=3 228 B8R0.14 CCOC(=O)C(C)(C)C 003884 [0,1,0,0,1,0|1,0,0]=3 229 B8R0.14 CCOC(=O)C(C)(C)F 024857 [0,1,0,0,1,0|1,0,0]=3 230 B8R0.14 CCOC(=O)C(C)(C)O 024843 [0,1,0,0,1,0|0,0,0]=2 231 B8R0.14 CCOC(=O)C(C)(F)F 023892 [0,1,0,0,1,0|1,0,0]=3 232 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl 242615 [0,1,0,0,1,0|2,0,0]=4 233 B8R0.14 CCOC(=O)C(F)(F)Br 002480 [0,1,0,0,1,0|2,0,0]=4 234 B8R0.14 CCOC(=O)C(F)(F)Cl 001174 [0,1,0,0,1,0|2,0,0]=4 235 B8R0.14 CCOC(=O)C(F)(F)F 001179 [0,1,0,0,1,0|2,0,0]=4 236 B8R0.14 CCOC(=O)C(F)(F)I 010300 [0,1,0,0,1,0|2,0,0]=4 237 B10R0.26 CCOC(=O)CC(=O)C(C)C 014837 [0,1,0,0,0,1|1,0,0]=3 238 B10R0.26 CCOC(=O)CC(=O)C(F)F 001566 [0,1,0,0,0,1|2,0,0]=4 239 B10R0.32 CCOC(=O)C(=O)CC(C)=O 067147 [0,1,0,0,0,1|0,0,2]=4 240 B10R0.32 CCOC(=O)C(N)CC(C)C 003821 [0,1,0,0,0,1|1,0,0]=3 241 B10R0.32 CCOC(=O)C(O)CC(C)C 092797 [0,1,0,0,0,1|1,0,0]=3 242 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC 236786 [0,1,0,0,0,1|1,0,0]=3 243 B10R0.109 CCOC(=O)CCC(C)(F)F 044574 [0,1,0,0,0,1|1,0,0]=3 244 B10R0.109 CCOC(=O)CCC(F)(F)F 001498 [0,1,0,0,0,1|2,0,0]=4 245 B10R0.6 COCCOC(=O)CC(C)=O 226637 [0,2,0,0,0,0|0,0,2]=4 246 B10R0.100 CCOC(=O)C(F)C(F)(F)F 033127 [0,2,0,0,0,0|2,0,0]=4 247 B10R0.101 CCOC(=O)C(C#N)C(C)=O 070482 [0,2,0,0,0,0|0,0,2]=4 248 B10R0.101 CCOC(=O)C(CC)C(C)=O 078849 [0,2,0,0,0,0|0,0,2]=4 249 B10R0.2 CCCC(=O)CC(=O)OCC 094679 [0,2,0,0,0,0|0,0,2]=4 250 B10R0.2 CCCC(O)CC(=O)OCC 239633 [0,2,0,0,0,0|0,0,0]=2 251 B10R0.2 CCOC(=O)CC(=O)OCC 094505 [0,2,0,0,0,0|0,0,2]=4 252 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 235667 [0,2,0,0,0,0|0,0,2]=4 253 B10R0.31 CC(C)(C)OC(=O)CC(=O)O 222025 [0,2,0,0,0,0|1,0,1]=4 254 B10R0.31 CC(C)NC(=O)OC(C)(C)C 180249 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.1 CCN1CCC(O)C1 068964 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.4 NC1CCCC(O)C1 070474 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.4 O=C1CCCC(=O)C1 078597 [1,0,0,1,0,0|0,0,2]=4 258 B8R1.4 OC1CCCC(O)C1 538675 [1,0,0,1,0,0|0,0,2]=4 259 B8R1.51 CC1(C)CNC(=O)C1 043825 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.22 OC1CCCCCC1 235579 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.72 CC1(O)CCCCC1 099112 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.8 CCOC1=NCCC1 037326 [1,0,0,1,0,0|1,0,0]=3 263 B8R1.37 CCOC(=O)C1CC1 051090 [1,0,0,1,0,0|0,0,0]=2 264 B8R1.5 CC1CCCCC1=O 463405 [0,0,0,1,1,0|2,0,0]=4 265 B8R1.5 NC1CCCNC1=O 075567 [0,0,0,1,1,0|2,0,0]=4 266 B8R1.5 O=C1CCCCC1Cl 235014 [0,0,0,1,1,0|2,0,0]=4 267 B10R1.138 CCCC(=O)OC[C@H]1CO1 079478 [0,0,0,1,0,1|1,0,0]=3 268 B10R1.140 CCOC(=O)C1CC(=O)C1 091926 [0,0,0,1,0,1|0,0,2]=4 269 B10R1.140 CCOC(=O)C1CC(O)C1 036038 [0,0,0,1,0,1|0,0,0]=2 270 B10R1.329 CC1(C)OC(=O)CC(=O)O1 032739 [0,1,0,1,0,0|1,0,1]=4 271 B10R1.329 CC1=CC(=O)OC(C)(C)O1 431346 [0,1,0,1,0,0|0,0,2]=4 272 B10R1.329 CC1CC(=O)CC(C)(C)C1 174500 [0,1,0,1,0,0|2,0,0]=4 273 B10R2.32 [C@@H]12CCO[C@@H]1OC[C@@H]2O 240783 [0,0,0,2,0,0|0,0,2]=4 274 B10R2.71 [C@H]12CC[C@H](CC(=O)C1)N2 038333 [0,0,0,2,0,0|2,0,0]=4 275 B6R0.3 C(F)(F)C(=O)OC 006791 [1,0,0,0,1,0|2,0,0]=4 276 B6R0.3 C=C(C)C(=O)OC 995248 [1,0,0,0,1,0|1,0,1]=4 277 B6R0.3 CC(C)C(=O)CBr 079016 [1,0,0,0,1,0|2,0,0]=4 278 B6R0.3 CCC(=O)C(C)=O 464570 [1,0,0,0,1,0|0,0,2]=4 279 B6R0.3 CCC(=O)C(C)C 386812 [1,0,0,0,1,0|1,0,0]=3 280 B6R0.3 CCC(=O)N(C)C 235586 [1,0,0,0,1,0|2,0,0]=4 281 B6R0.3 CCC(C)C(C)O 103328 [1,0,0,0,1,0|1,0,1]=4 282 B6R0.3 CNC(=O)C(C)Br 369255 [1,0,0,0,1,0|2,0,0]=4 283 B6R0.3 CNC(=O)C(C)C 541993 [1,0,0,0,1,0|2,0,0]=4 284 B6R0.3 CNC(=O)C(C)Cl 310451 [1,0,0,0,1,0|2,0,0]=4 285 B6R0.3 COC(=O)C(C)=O 094169 [1,0,0,0,1,0|0,0,2]=4 286 B6R0.3 COC(=O)C(C)Br 006778 [1,0,0,0,1,0|1,0,0]=3 287 B6R0.3 COC(=O)C(C)C 097703 [1,0,0,0,1,0|1,0,0]=3 288 B6R0.3 COC(=O)C(C)Cl 239017 [1,0,0,0,1,0|1,0,0]=3 289 B6R0.3 COC(=O)C(C)N 003683 [1,0,0,0,1,0|1,0,0]=3 290 B6R0.3 COC(=O)C(C)N 003684 [1,0,0,0,1,0|1,0,0]=3 291 B6R0.3 COC(=O)C(C)O 103470 [1,0,0,0,1,0|0,0,0]=2 292 B6R0.3 COC(=O)C(Cl)Cl 340479 [1,0,0,0,1,0|2,0,0]=4 293 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [1,0,0,0,1,0|1,0,0]=3 294 B6R0.3 COC(=O)[C@@H](C)N 005452 [1,0,0,0,1,0|1,0,0]=3 295 B6R0.3 COC(=O)[C@@H](C)O 219745 [1,0,0,0,1,0|0,0,0]=2 296 B6R0.3 COC(=O)[C@H](C)Cl 328935 [1,0,0,0,1,0|1,0,0]=3 297 B6R0.3 COC(=O)[C@H](C)O 099823 [1,0,0,0,1,0|0,0,0]=2 298 B10R0.3 CCCC(=O)OCCC(C)C 240937 [0,0,0,0,0,2|2,0,0]=4