0 B8R0.9 COC(=O)CCC(C)=O 099360 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.9 COC(=O)CSC(C)C 095097 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.9 COC(=O)\C=C\C(C)C 011190 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 C=CCOC(=O)OC 067150 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 CCC(=O)NCCO 402339 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 CCCCC(=O)OC 103432 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 CCSCC(=O)OC 094646 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 CC\C=C\C(=O)OC 011184 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 COC(=O)CCCBr 214657 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 COC(=O)CCCCl 386752 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 COC(=O)CCCI 336691 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.3 COC(=O)CCCN 009954 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.3 COCCC(=O)OC 349308 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 CC(C)CNCCN 104760 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CCCCCC(C)O 235688 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CCNCCN(C)C 402341 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.6 CC(=O)CCC(C)=O 494125 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 CC(=O)CCC(C)C 106440 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.6 CC(=O)CCN(C)C 043224 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.6 CC(=O)NCC(C)C 103683 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.6 CC(=O)OCC(=O)O 228175 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.6 CC(=O)OCC(C)C 095004 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.6 CC(=O)\C=C\N(C)C 106573 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.6 CC(C)COC(=O)Cl 046752 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.6 CC(C)SCC(=O)O 311009 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.6 CC(C)\C=C\C(=O)O 011183 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.6 CN(C)CCC(=O)O 046799 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.7 C=C(C)C(=O)OCC(C)C 106346 [0,1,0,0,0,0|0,0,1]=2 28 B9R0.7 C=C(C)C(=O)OCC(C)O 235572 [0,1,0,0,0,0|1,0,1]=3 29 B9R0.23 COC(=O)C(N)CC(C)C 003822 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.42 COC(=O)CC(=O)C(C)C 014783 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.48 C=C(C)CCC(=O)OCC 521452 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.48 CCOC(=O)CCC(C)=O 094793 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.48 CCOC(=O)CNC(C)C 033421 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.48 CCOC(=O)\C=C\N(C)C 043422 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.10 CC1(C)C=CC(=O)CC1 013544 [0,0,0,1,0,0|1,0,1]=3 36 B9R1.10 CC1(C)CCC(=O)CC1 077611 [0,0,0,1,0,0|1,0,0]=2 37 B9R1.10 CC1(C)COC(=O)OC1 341785 [0,0,0,1,0,0|1,0,0]=2 38 B9R1.10 O=C1CCC(F)(F)CC1 044463 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 CC(C)[C@@H]1COC(=O)N1 092262 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.35 CC(C)[C@H]1COC(=O)N1 208760 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.49 CN1CCCC(=O)CC1 069080 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.69 CC1CN(C)CCC1=O 011704 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.138 CC1(C)COC(=O)[C@@H]1O 337172 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.138 CN1C(=O)OCC1(C)C 095043 [0,0,0,1,0,0|1,0,0]=2 45 B7R0.2 C=CC(=O)NC(C)C 046835 [0,0,0,0,1,0|1,0,2]=4 46 B7R0.2 CC(C)C[C@H](N)CO M03441 [0,0,0,0,1,0|2,0,1]=4 47 B7R0.2 CC(C)NC(=O)CCl 307988 [0,0,0,0,1,0|2,0,0]=3 48 B7R0.2 CNC(=O)CC(C)=O 240984 [0,0,0,0,1,0|2,0,1]=4 49 B7R0.2 COC(=O)C=C(C)C 358413 [0,0,0,0,1,0|1,0,2]=4 50 B7R0.2 COC(=O)CC(C)=O 094497 [0,0,0,0,1,0|2,0,1]=4 51 B7R0.2 COC(=O)CC(C)C 046834 [0,0,0,0,1,0|1,0,0]=2 52 B7R0.2 COC(=O)CN(C)C 099922 [0,0,0,0,1,0|2,0,0]=3 53 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,0,0,0,1,0|2,0,0]=3 54 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,0,0,0,1,0|2,0,0]=3 55 B9R0.1 COC(=O)\C=C\CC(C)C 011191 [0,0,0,0,0,1|2,0,0]=3 56 B6R0.1 C#CC(=O)OCC 003001 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.1 C=CC(=O)OCC 094594 [2,0,0,0,0,0|0,0,2]=4 58 B6R0.1 C=COC(=O)CC 005111 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.1 CCCC(=O)NN 018345 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.1 CCCC(=O)OC 358407 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.1 CCNC(=O)CCl 069838 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.1 CCNC(=O)CN 075036 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 CCNC(=O)OC 104168 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 CCOC(=O)C#N 046945 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.1 CCOC(=O)C=O 079534 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.1 CCOC(=O)CBr 006091 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.1 CCOC(=O)CC 094652 [2,0,0,0,0,0|0,0,0]=2 68 B6R0.1 CCOC(=O)CCl 097784 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.1 CCOC(=O)CF 019465 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.1 CCOC(=O)CI 324768 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.1 CCOC(=O)CN 094472 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.1 CCOC(=O)CO 227697 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.1 CCOC(=O)CS 099611 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.1 CCOC(=O)NN 208618 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 CNC(=O)CCBr 104783 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CNCC(=O)OC M03234 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 COC(=O)CCBr 216315 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.1 COC(=O)CCI 103108 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.1 COC(=O)CCN 032703 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.1 COC(=O)CCO 223297 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.1 COC(=O)CCS 053164 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.1 COC(=O)CSC 002978 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.1 COCC(=O)OC 358440 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 C#CCOC(C)=O 167000 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.4 C=CCOC(C)=O 099570 [2,0,0,0,0,0|0,0,2]=4 86 B6R0.4 C=COCC(C)C 103137 [2,0,0,0,0,0|0,0,1]=3 87 B6R0.4 CC(=O)CCCCl 326218 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.4 CC(=O)CCCO 093373 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.4 CC(=O)NCCN 226270 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 CC(=O)NCCO 094790 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 CC(=O)NCCS 106473 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.4 CC(=O)OCCBr 024963 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.4 CC(=O)OCCO 046708 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.4 CC(C)CN=C=O 044447 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.4 CC(C)CON=O 099090 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.4 CC(C)OCCO 150900 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CCCCC(=O)Cl 099590 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.4 CCCCC(=O)O 066625 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.4 CCCCC(C)=O 098350 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.4 CCCCC(C)N 214315 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.4 CCCCC(N)=O 176500 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 CCCCN(C)C 115800 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.4 CCCC[C@@H](C)O 036116 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.4 CCCNC(C)=O 099232 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.4 CCCOC(C)=O 104128 [2,0,0,0,0,0|0,0,0]=2 106 B6R0.4 CNCCC(C)C 321590 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.4 NC(=O)OCCCl 103494 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.6 CCCCCCC 044743 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 CCCCCCC 099896 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.6 CCCCCCC 107019 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.6 CCCCCCC 995188 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 CCCCNCC 097790 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.6 CCCNCCC 102049 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.6 CCCOCCN 038577 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.6 CC\C=C/CCO 240925 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.1 CCCCC(=O)OCC 241120 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.1 CCCNC(=O)CC#N 042752 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.1 CCOC(=O)CCCBr 139400 [1,1,0,0,0,0|2,0,0]=4 119 B8R0.1 CCOC(=O)CCCI 227460 [1,1,0,0,0,0|2,0,0]=4 120 B8R0.1 CCOC(=O)CCCN 033082 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.1 CCOC(=O)CSCC 094645 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.3 CCCC(Br)C(=O)OC 099965 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.3 CCCC(C)C(=O)OC 102877 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.3 CCOC(=O)C(=O)CC 075979 [1,1,0,0,0,0|2,0,0]=4 125 B8R0.6 C=CC(=O)OCCCC 099438 [1,1,0,0,0,0|0,0,2]=4 126 B8R0.6 CCCCCC(=O)OC 103044 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.6 CCCSCC(=O)OC 095137 [1,1,0,0,0,0|1,1,0]=4 128 B8R0.6 COC(=O)CCCCBr 210250 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.6 COC(=O)CCCCI 103067 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.8 C=C(C)C(=O)OCCCl 104860 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.8 C=C(C)C(=O)OCCN 013402 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.8 C=C(C)C(=O)OCCO 358471 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.11 CCCCC(C=O)CC 106312 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.11 CCC\C=C(\C=O)CC 069958 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.19 CCC(C)CC(=O)OC 097640 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.19 CCC(O)OC(O)CC 098936 [1,1,0,0,0,0|0,0,2]=4 137 B8R0.5 CCOC(=O)CC(C)C 098989 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.28 CC(C)CCCC(C)N 097752 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.28 CC(C)CCCC(C)N 101453 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.28 CC(C)CNCC(C)C 098819 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.28 CC(C)C[AlH4]CC(C)C 101611 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.23 CC(C)CC(N)C(=O)O 080309 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.23 CC(C)CC(N)C(=O)O 235900 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.23 CC(C)CC(O)C(=O)O 320241 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.23 CC(C)C[C@@H](N)C(=O)O 043443 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.23 CC(C)C[C@H](N)C(=O)O 102086 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.23 CC(C)C[C@H](N)C(=O)O M03060 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.23 CC(C)C[C@H](N)C(N)=O 224383 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.23 CC(C)C[C@H](O)C(=O)O 233788 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.29 CC(=O)OCC(F)(F)F 007516 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.29 CC(C)(C)CCC(=O)O 046101 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.29 CC(C)(C)COC(=O)Cl 103231 [1,1,0,0,0,0|1,0,0]=3 153 B8R0.2 COC(=O)C(Br)C(C)C 078833 [0,1,0,0,1,0|1,0,0]=3 154 B8R0.2 COC(=O)C(N)C(C)C M03137 [0,1,0,0,1,0|1,0,0]=3 155 B8R0.2 COC(=O)[C@@H](N)C(C)C 003820 [0,1,0,0,1,0|1,0,0]=3 156 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O M02985 [0,1,0,0,1,0|2,0,0]=4 157 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O 463143 [0,1,0,0,1,0|2,0,0]=4 158 B8R0.24 C=CC(=O)OC(C)(C)C 097726 [0,1,0,0,1,0|0,0,2]=4 159 B8R0.24 CC(C)(C)NC(=O)CCl 044503 [0,1,0,0,1,0|2,0,0]=4 160 B8R0.24 CC(C)(C)OC(=O)CBr 043685 [0,1,0,0,1,0|1,0,0]=3 161 B8R0.24 CC(C)(C)OC(=O)CCl 092618 [0,1,0,0,1,0|1,0,0]=3 162 B8R0.24 CC(C)(C)OC(=O)CI 324991 [0,1,0,0,1,0|1,0,0]=3 163 B8R0.24 CC(C)(C)OC(=O)CN 222997 [0,1,0,0,1,0|1,0,0]=3 164 B8R0.24 CC(C)(C)OC(=O)CN M03023 [0,1,0,0,1,0|1,0,0]=3 165 B8R0.24 CC(C)(C)OC(=O)CO 222563 [0,1,0,0,1,0|1,0,0]=3 166 B8R0.24 CC(C)(C)OC(=O)NN 044812 [0,1,0,0,1,0|2,0,0]=4 167 B8R0.24 CC(C)(C)OC(=O)NO 044878 [0,1,0,0,1,0|2,0,0]=4 168 B8R0.24 CCC(=O)NC(C)(C)C 094519 [0,1,0,0,1,0|1,0,0]=3 169 B8R0.24 CCC(=O)OC(C)(C)C 239674 [0,1,0,0,1,0|0,0,0]=2 170 B8R0.24 CNC(=O)OC(C)(C)C 044201 [0,1,0,0,1,0|1,0,0]=3 171 B8R0.24 COC(=O)CC(C)(C)C 101635 [0,1,0,0,1,0|1,0,0]=3 172 B8R0.24 COC(=O)CC(C)(F)F 094478 [0,1,0,0,1,0|2,0,0]=4 173 B10R0.3 CCCC(=O)OCCC(C)C 240937 [0,1,0,0,0,1|0,0,0]=2 174 B10R0.57 C\C=C(/C)C(=O)OCC(C)C 104199 [0,1,0,0,0,1|1,0,1]=4 175 B10R0.98 C=C(C)C(=O)OCCN(C)C 133400 [0,1,0,0,0,1|1,0,1]=4 176 B10R0.93 CC(C)C(=O)OC(=O)C(C)C 097599 [0,2,0,0,0,0|0,0,1]=3 177 B10R0.109 CCCC(=O)OCC(F)(F)F 007518 [0,2,0,0,0,0|2,0,0]=4 178 B10R0.109 CCOC(=O)CCC(C)(F)F 044574 [0,2,0,0,0,0|2,0,0]=4 179 B10R0.32 CCOC(=O)C(N)CC(C)C 003821 [0,2,0,0,0,0|1,0,0]=3 180 B10R0.32 CCOC(=O)C(O)CC(C)C 092797 [0,2,0,0,0,0|1,0,0]=3 181 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC 236786 [0,2,0,0,0,0|1,0,0]=3 182 B10R0.26 CCOC(=O)CC(=O)C(C)C 014837 [0,2,0,0,0,0|1,0,1]=4 183 B8R1.1 NCC1CCC(=O)N1 318323 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.1 O=C1CC[C@@H](CO)N1 093783 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.1 O=C1CC[C@H](CO)N1 040026 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.1 O=C1NC[C@@H](CCl)O1 238564 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.1 O=C1OCC(CO)O1 521458 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.3 CC1CCC(=O)CC1 241022 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.3 CN1CCC(=O)CC1 078184 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.3 CN1CCC(=O)CC1 105797 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.3 O=C1CCC(O)CC1 069093 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.5 CC1CCCCC1=O 463405 [1,0,0,1,0,0|1,0,0]=3 194 B8R1.5 CN1CCCCC1=O 240152 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.5 NC1CCCNC1=O 075567 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.5 O=C1CCCCC1Cl 235014 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.22 O=C1C=CCCCC1 208633 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.22 O=C1CCCCCC1 098940 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.22 O=C1CCCCCN1 102927 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.22 O=C1CCCCCO1 094875 [1,0,0,1,0,0|0,0,0]=2 201 B8R1.22 O=C1CCNCCN1 011670 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.22 S=C1CCCCCN1 099229 [1,0,0,1,0,0|1,1,0]=4 203 B8R1.38 COC(=O)C1CCC1 094004 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.40 O=C(CCl)NC1CC1 042348 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.4 CC1CNCC(C)C1 214739 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.36 CCCNCC1CC1 069280 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.72 CC1(C)CCNCC1 075595 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.72 CC1(C)COCCN1 061564 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.51 CC1(C)CNC(=O)C1 043825 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.51 CC1(C)COC(=S)N1 330663 [1,0,0,1,0,0|1,1,0]=4 211 B8R1.51 CC1=NC(C)(C)CO1 235855 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.77 CC1(C)CC1C(=O)O 066488 [1,0,0,1,0,0|2,0,0]=4 213 B10R1.13 CC(C)N1CCC(=O)CC1 068875 [0,0,0,1,0,1|1,0,0]=3 214 B10R1.205 C=C(C)C(=O)OCC1CO1 106344 [0,1,0,1,0,0|1,0,1]=4 215 B10R1.138 CCCC(=O)OC[C@H]1CO1 079478 [0,1,0,1,0,0|1,0,0]=3 216 B10R1.140 CCOC(=O)C1CC(O)C1 036038 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.297 CC1(C)COP(=O)(Cl)OC1 103694 [0,1,0,1,0,0|2,0,0]=4 218 B6R0.2 C=C(C)OC(C)=O 101993 [1,0,0,0,1,0|0,0,2]=4 219 B6R0.2 CC(=O)C=C(C)C 098815 [1,0,0,0,1,0|0,0,2]=4 220 B6R0.2 CC(=O)CC(C)=O 100600 [1,0,0,0,1,0|1,0,1]=4 221 B6R0.2 CC(=O)CC(C)C 044985 [1,0,0,0,1,0|0,0,0]=2 222 B6R0.2 CC(=O)CC(C)C 102383 [1,0,0,0,1,0|0,0,0]=2 223 B6R0.2 CC(=O)NC(C)C 208609 [1,0,0,0,1,0|1,0,0]=3 224 B6R0.2 CC(=O)OC(C)=O 035908 [1,0,0,0,1,0|1,0,1]=4 225 B6R0.2 CC(=O)OC(C)=O 099749 [1,0,0,0,1,0|1,0,1]=4 226 B6R0.2 CC(=O)OC(C)C 099370 [1,0,0,0,1,0|0,0,0]=2 227 B6R0.2 CC(C)=NC(C)C 022053 [1,0,0,0,1,0|2,0,0]=4 228 B6R0.2 CC(C)CC(=O)Cl 520885 [1,0,0,0,1,0|1,0,0]=3 229 B6R0.2 CC(C)CC(=O)O 242835 [1,0,0,0,1,0|1,0,0]=3 230 B6R0.2 CC(C)CC(C)N 214337 [1,0,0,0,1,0|1,0,1]=4 231 B6R0.2 CC(C)CC(C)O 242810 [1,0,0,0,1,0|0,0,2]=4 232 B6R0.2 CC(C)CC(N)=O 342138 [1,0,0,0,1,0|1,0,0]=3 233 B6R0.2 CC(C)CS(=O)[O-] 070723 [1,0,0,0,1,0|2,0,0]=4 234 B6R0.2 CC(C)NC(N)=O 101565 [1,0,0,0,1,0|2,0,0]=4 235 B6R0.2 CC(Cl)OC(=O)Cl 019459 [1,0,0,0,1,0|2,0,0]=4 236 B6R0.2 CC(N)CC(=O)O 208617 [1,0,0,0,1,0|2,0,0]=4 237 B6R0.2 CN(C)CC(=O)O 044353 [1,0,0,0,1,0|2,0,0]=4 238 B6R0.2 CN(C)CC(=O)O 216339 [1,0,0,0,1,0|2,0,0]=4 239 B6R0.2 C[C@@H](N)CC(=O)O 034436 [1,0,0,0,1,0|2,0,0]=4 240 B6R0.2 C[C@@H](N)CC(=O)O 078594 [1,0,0,0,1,0|2,0,0]=4 241 B6R0.3 CC(C)C(=O)CBr 079016 [0,0,0,0,2,0|1,0,0]=3 242 B6R0.3 CC(C)C(=O)NN 019317 [0,0,0,0,2,0|2,0,0]=4 243 B6R0.3 CCC(=O)C(C)=O 464570 [0,0,0,0,2,0|1,0,1]=4 244 B6R0.3 CCC(=O)C(C)C 386812 [0,0,0,0,2,0|0,0,0]=2 245 B6R0.3 CCC(=O)N(C)C 235586 [0,0,0,0,2,0|1,0,0]=3 246 B6R0.3 CCC(O)C(C)C 240664 [0,0,0,0,2,0|0,0,2]=4 247 B6R0.3 CN(C)C(=O)CBr 043801 [0,0,0,0,2,0|2,0,0]=4 248 B6R0.3 CN(C)C(=O)CCl 067830 [0,0,0,0,2,0|2,0,0]=4 249 B6R0.3 CN(C)C(=O)CN 463150 [0,0,0,0,2,0|2,0,0]=4 250 B6R0.3 CNC(=O)C(C)Br 369255 [0,0,0,0,2,0|2,0,0]=4 251 B6R0.3 CNC(=O)C(C)C 541993 [0,0,0,0,2,0|1,0,0]=3 252 B6R0.3 CNC(=O)C(C)Cl 310451 [0,0,0,0,2,0|2,0,0]=4 253 B6R0.3 COC(=O)C(C)Br 006778 [0,0,0,0,2,0|2,0,0]=4 254 B6R0.3 COC(=O)C(C)C 097703 [0,0,0,0,2,0|1,0,0]=3 255 B6R0.3 COC(=O)C(C)Cl 239017 [0,0,0,0,2,0|2,0,0]=4 256 B6R0.3 COC(=O)C(C)N 003683 [0,0,0,0,2,0|2,0,0]=4 257 B6R0.3 COC(=O)C(C)N 003684 [0,0,0,0,2,0|2,0,0]=4 258 B6R0.3 COC(=O)C(C)O 103470 [0,0,0,0,2,0|2,0,0]=4 259 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [0,0,0,0,2,0|2,0,0]=4 260 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,0,0,0,2,0|2,0,0]=4 261 B6R0.3 COC(=O)[C@@H](C)O 219745 [0,0,0,0,2,0|2,0,0]=4 262 B6R0.3 COC(=O)[C@H](C)Cl 328935 [0,0,0,0,2,0|2,0,0]=4 263 B6R0.3 COC(=O)[C@H](C)O 099823 [0,0,0,0,2,0|2,0,0]=4