0 B6R0.1 C(C#N)C(=O)NN B24370 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCC(=O)CC#N H50789 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCC(=O)OC=C L12931 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCC(=O)OCC 15498 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCC(=O)OCC A16650 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCC(=O)SCC B24918 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CCC(=O)\C=C\C H27445 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCCC(=O)C=C L07660 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCCC(=O)CC B20791 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCCC(=O)NN L01971 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CCCC(=O)OC L04250 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.1 CCCC(=O)SC B22144 [0,0,0,0,0,0|1,1,0]=2 12 B6R0.1 CCCC(CC)Br L00818 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 CCCC(CC)O B20210 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CCCC(CC)[Zn+] H58535 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 CCC\C(=N\O)\N H50888 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.1 CCOC(=O)C#C A15068 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCOC(=O)C#N L15777 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 CCOC(=O)C=C A15493 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CCOC(=O)C=O L19207 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.1 CCOC(=O)CBr A10448 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.1 CCOC(=O)CCl A15554 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.1 CCOC(=O)CF H61340 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.1 CCOC(=O)CI B24177 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.1 CCOC(=O)CN A10315 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.1 CCOC(=O)CO 41475 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.1 CCOC(=O)CS A14321 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.1 CCOC(=O)NN A13860 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.1 CNCC(=O)OC L08572 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.1 COC(=O)CC#N A15555 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.1 COC(=O)CCBr L14127 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.1 COC(=O)CCN H27483 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.1 COC(=O)CCS B20718 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.1 COC(=O)C[N+]#[C-] H31069 [0,0,0,0,0,0|1,0,1]=2 34 B6R0.1 COCC(=O)NN H65573 [0,0,0,0,0,0|2,1,0]=3 35 B6R0.1 COCC(=O)OC B22528 [0,0,0,0,0,0|0,1,0]=1 36 B6R0.1 C\C=C\C(=O)OC A15363 [0,0,0,0,0,0|1,0,1]=2 37 B5R0.1 B(CCC)(O)O L19965 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C(=C/Cl)/C(=O)O A14798 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 C(=C\Cl)/C(=O)O A15527 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 C(C#N)C(=O)N A12482 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 C(C#N)C(=O)O A11045 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 C(CBr)C(=O)Cl A10846 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 C(CBr)C(=O)O A11573 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 C(CCl)C(=O)Cl B25698 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 C(CCl)C(=O)O B21744 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 C(CI)C(=O)O L02655 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 C(CN)C(=O)N H65365 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 C(CN)C(=O)O A16665 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 C(CS)C(=O)O A13261 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 C=CCC(=O)O L07557 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.1 CC#CC(=O)O A15542 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 CC(=C)CCO B23398 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CC(=O)CC#N H64536 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CC(=O)CCO L11456 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CC(=O)CSC B24149 [1,0,0,0,0,0|0,0,0]=1 56 B5R0.1 CC(=O)NCO A13820 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CC(=O)OC=C A16247 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CC(=O)OCBr H56755 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CC(C)CNC 42947 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 CC(COC)O 41547 [1,0,0,0,0,0|0,1,2]=4 61 B5R0.1 CC(COC)O L12694 [1,0,0,0,0,0|0,1,2]=4 62 B5R0.1 CC(COC)[O-] 41257 [1,0,0,0,0,0|0,1,2]=4 63 B5R0.1 CCCC(=C)C H53373 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 CCCC(=O)C L13262 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.1 CCCC(=O)Cl A17575 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 CCCC(=O)N A12494 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 CCCC(=O)O L13189 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.1 CCCC(=O)[O-] A11079 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 CCCC(C)Br A17205 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CCCC(C)C L03001 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 CCCC(C)O B21217 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 CCCC(C)[Zn+] H58078 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CCC[C@H](C)O L09314 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.1 CCC[N+](=O)[O-] A11975 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 CCNC(=O)C L10300 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 CCNC(=O)N B24040 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 CCOC(=N)C A18618 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CCOC(=O)C 22912 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CCOC(=O)C 31344 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 CCOC(=O)C 39177 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 CCOC(=O)C 40977 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.1 CCOC(=O)C L10925 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 CCOC(=O)Cl L06311 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 CCOC(=O)N 44804 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.1 CCSC(=O)C A10680 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 CNCC(=O)N H65993 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 CNCC(=O)O A14594 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.1 CNCC(=O)O B25536 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.1 COCC(=O)Cl L03210 [1,0,0,0,0,0|1,1,0]=3 90 B5R0.1 COCC(=O)O B22917 [1,0,0,0,0,0|0,1,0]=2 91 B5R0.1 CSCC(=O)O B22531 [1,0,0,0,0,0|0,0,0]=1 92 B5R0.1 CSCS(=O)C L00510 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.1 C[C@@H](COC)N L16325 [1,0,0,0,0,0|1,1,1]=4 94 B5R0.1 C\C=C\C(=O)C L13031 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.1 C\C=C\C(=O)Cl A13710 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 C\C=C\C(=O)O A15765 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.2 CCCC#CC B22405 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.2 CCCCCC 19353 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.2 CCCCCC 32454 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 CCCCCC 39199 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 CCCCCC 41727 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 CCCCCC 42100 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.2 CCCCCC 43263 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 CCCCCC 47104 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 CCCCCC L09938 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 CCCCCC L13233 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 CCCCNC B23032 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 CCCCSC L12039 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.2 CCCNCC 14846 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.2 CCC\C=C/C H53506 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 CCC\C=C\C B22289 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.2 CCC\C=C\C H53472 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.2 CCC\C=N\O A11420 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.2 CCO\C=C\C H26319 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.2 CC\C=C/CC H53485 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.2 CC\C=C\CC L10311 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.2 CNCCNC L02204 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.2 COCCC#N L07055 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.2 COCCCN B24095 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.2 COCCOC 45659 [1,0,0,0,0,0|0,1,1]=3 121 B5R0.2 COCCOC A12986 [1,0,0,0,0,0|0,1,1]=3 122 B5R0.2 CSCCC=O A14774 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.2 CSCCCN H25846 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.2 CSCCCO A10403 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.2 C\C=C\C=C\C H53404 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.2 C\C=C\CC=C B20060 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.3 C(C(=O)CBr)Br H37325 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.3 C(C(=O)CCl)Cl 22302 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.3 C(C(=O)CCl)Cl A14149 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.3 C(C(=O)CF)F H51145 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.3 CC(OC)OC A10939 [1,0,0,0,0,0|1,1,1]=4 132 B5R0.3 CCC(=C)C=O B21839 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.3 CCC(=C)CC L11553 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.3 CCC(=O)C=C L06829 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.3 CCC(=O)CBr L12081 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.3 CCC(=O)CC A15297 [1,0,0,0,0,0|1,0,0]=2 137 B5R0.3 CCC(=O)OC A14944 [1,0,0,0,0,0|0,0,0]=1 138 B5R0.3 CCC(C)CC L03133 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.3 CCC(C)CS B21949 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.3 CCC(C)NC H27547 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.3 CCC(C)OC H53427 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.3 CCC(C)SC B21942 [1,0,0,0,0,0|1,1,1]=4 143 B5R0.3 CCC(CC)Br L13576 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.3 CCC(CC)N L02250 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.3 CCC(CC)O L06065 [1,0,0,0,0,0|1,0,2]=4 146 B5R0.3 CCC(CC)[Zn+] H58214 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.3 CCN(CC)O B23302 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.3 CCP(=O)CC H27768 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.3 CCP(CC)Cl 30204 [1,0,0,0,0,0|3,0,0]=4 150 B5R0.3 CC\C(=N\O)\C L08196 [1,0,0,0,0,0|3,0,0]=4 151 B5R0.3 CC\C(=N\O)\N H50889 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.3 CNC(=N)SC H27439 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.3 CNC(=O)CCl H32362 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.3 CNC(=O)CN H65367 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 CNC(=O)NC B21329 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.3 COC(=O)C#C A14743 [1,0,0,0,0,0|0,0,2]=3 157 B5R0.3 COC(=O)C=C A13128 [1,0,0,0,0,0|0,0,2]=3 158 B5R0.3 COC(=O)CBr A10605 [1,0,0,0,0,0|1,0,0]=2 159 B5R0.3 COC(=O)CCl A10325 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.3 COC(=O)CN A14083 [1,0,0,0,0,0|1,0,0]=2 161 B5R0.3 COC(=O)CO A17870 [1,0,0,0,0,0|0,1,0]=2 162 B5R0.3 COC(=O)CS L03783 [1,0,0,0,0,0|0,0,0]=1 163 B5R0.3 COC(=O)NN A14548 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 COC(=O)OC A13104 [1,0,0,0,0,0|0,1,0]=2 165 B5R0.3 COC(=O)SCl L04350 [1,0,0,0,0,0|1,0,0]=2 166 B5R0.3 COP(O)OC L02670 [1,0,0,0,0,0|1,1,1]=4 167 B5R0.3 CO[SiH](C)OC L16197 [1,0,0,0,0,0|1,2,0]=4 168 B7R0.2 CC(=CC(=O)OC)C L19731 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.2 CC(=O)CC(=O)OC A13696 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.2 CC(C)CC(=O)OC L06241 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.2 CC(C)OC(=O)OC L15314 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.2 CCC(=O)OC(C)C A19052 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.2 CN(C)CC(=O)OC L11897 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.2 COC(=O)CC(=O)N B25326 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.2 COC(=O)CC(=O)O H27772 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.2 COC(=O)CC(=O)[O-] L20429 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.2 COC(=O)C[N+](=O)[O-] L18950 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.2 C[C@@H](CC(=O)OC)O L19996 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.2 C[C@H](CC(=O)OC)O L14151 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.2 C\C(=C\C(=O)OC)\N B24953 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.2 [2H]N([2H])CC(=O)O[2H] H64075 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.3 C(CC(=O)NN)CO A12351 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.3 CCC(=O)OCC#C L09371 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.3 CCC(=O)SCC=C B22532 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.3 CCCCC(=O)CC A16977 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.3 CCCCC(=O)NN L01555 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.3 CCCCC(=O)OC B24828 [0,1,0,0,0,0|1,0,0]=2 188 B7R0.3 CCCOC(=O)C=C L09714 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.3 CCCOC(=O)CBr L11951 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.3 CCCOC(=O)CC B20680 [0,1,0,0,0,0|2,0,0]=3 191 B7R0.3 CCCOC(=O)CN H50250 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.3 COC(=O)CCCBr L12636 [0,1,0,0,0,0|1,0,0]=2 193 B7R0.3 COC(=O)CCCCl L03734 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.3 COC(=O)CCSC A10649 [0,1,0,0,0,0|0,0,0]=1 195 B7R0.3 COC(=O)CN=C=S L11046 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.3 COC(=O)\C=C\CBr A15582 [0,1,0,0,0,0|1,0,1]=3 197 B7R0.5 CCCC(=O)C(=O)C L04669 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.5 CCCC(=O)N(C)C L05556 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.5 CCOC(=O)C(=C)C A17518 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.5 CCOC(=O)C(=O)C A15045 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.5 CCOC(=O)C(C)Br A10820 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.5 CCOC(=O)C(C)C A12966 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.5 CCOC(=O)C(C)Cl L13410 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.5 CCOC(=O)C(C)N L11020 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.5 CCOC(=O)C(C)O A10900 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.5 CCOC(=O)C(C)S L11520 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.5 CCOC(=O)[C@@H](C)N H62791 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.5 CCOC(=O)[C@H](C)N A11271 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.5 CN(C)C(=O)CC#N A10981 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.7 CCCC(=O)CCC B21222 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.7 CCCC(=O)OCC L06025 [0,1,0,0,0,0|1,0,0]=2 212 B7R0.7 CCNC(=O)NCC L02079 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.7 CCOC(=O)C#CC B25370 [0,1,0,0,0,0|1,0,1]=3 214 B7R0.7 CCOC(=O)CC#N A11498 [0,1,0,0,0,0|2,0,0]=3 215 B7R0.7 CCOC(=O)CCBr A12402 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.7 CCOC(=O)CCCl B23907 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.7 CCOC(=O)CCN A17277 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.7 CCOC(=O)CC[Zn+] H26739 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.7 CCOC(=O)CNC A13112 [0,1,0,0,0,0|1,0,0]=2 220 B7R0.7 CCOC(=O)CNN H60042 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.7 CCOC(=O)COC A18770 [0,1,0,0,0,0|0,1,0]=2 222 B7R0.7 CCOC(=O)CSC B24285 [0,1,0,0,0,0|0,0,0]=1 223 B7R0.7 CCOC(=O)C[N+]#[C-] L15379 [0,1,0,0,0,0|1,0,1]=3 224 B7R0.7 CCOC(=O)N=C=S L00911 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.7 CCOC(=O)OCC A12477 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.7 CCOC(=O)\C=C\C A12529 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.7 CSCC(CSC)O B21893 [0,1,0,0,0,0|0,1,2]=4 228 B7R0.10 CC(C(=O)OC)OC L13527 [0,1,0,0,0,0|0,1,0]=2 229 B7R0.10 CC(C(=O)OC)SC B21979 [0,1,0,0,0,0|0,0,0]=1 230 B7R0.10 CCC(=O)C(=O)CC L06655 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.10 CCC(C(=O)OC)Br A19468 [0,1,0,0,0,0|1,0,0]=2 232 B7R0.10 CCC(C)C(=O)OC L08103 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.10 CNC(=O)C(=O)NC A11333 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.10 COC(=O)C(=O)OC A15359 [0,1,0,0,0,0|0,1,1]=3 235 B7R0.10 COC(=O)C(CCl)Cl B21993 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.10 COC(=O)C(CF)Br H31790 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.10 COC(=O)C(CO)Cl H27623 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.10 COC(=O)C(CO)N A13904 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.10 COC(=O)[C@@H](CO)N H63685 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.10 COC(=O)[C@H](CO)N A12355 [0,1,0,0,0,0|2,0,0]=3 241 B7R0.10 C[C@@H](CO)C(=O)OC 44483 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.10 C\C=C(/C)\C(=O)OC A11964 [0,1,0,0,0,0|1,0,1]=3 243 B7R0.12 CNCC(OC)OC L02391 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.12 COC(CSC)OC B22667 [0,1,0,0,0,0|0,0,2]=3 245 B7R1.1 CC=C1CCCC1 B20209 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.1 COC1CCCC1 H27349 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.1 COc1ccsc1 B21940 [0,0,0,1,0,0|1,0,2]=4 248 B7R1.2 C1C(=O)COC1=O A14079 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.2 C1C(COC1=O)O L20257 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.2 C1C(OC(=O)O1)F H61502 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.2 C1CC(=O)CC1=O L10336 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.2 C1[C@@H](CNC1=O)O H66455 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.2 C1[C@H](CNC1=O)O H66006 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.2 C1[C@H](COC1=O)O L20255 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.2 CC1=CC(=O)CC1 A13993 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.2 CC1=NNC(=O)C1 A10253 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.2 CC1CCC(=O)C1 L04940 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.2 CC1CCC(=O)O1 A18872 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.2 CC1COC(=O)O1 A15552 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.2 CN1CCC(=O)C1 H57585 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.3 C1CC=CC(=O)C1 A15435 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.3 C1CCC(=O)CC1 33309 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.3 C1CCC(=O)CC1 A15607 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.3 C1CCNC(=O)C1 A12271 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.3 C1CCOC(=O)C1 L04794 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.3 C1CNC(=O)CN1 B24131 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.3 C1CNCCC1=O A13726 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.3 C1COC(=O)C=C1 L14909 [0,0,0,1,0,0|1,0,1]=3 270 B7R1.3 C1COCCC1=O A19010 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.3 C1CSCCC1=O A15872 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.3 CC1=CCCCC1 L15014 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.4 C1CC(C(=O)C1)Cl B22573 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.4 CC1C(=O)CCO1 B20890 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.4 CC1C(=O)CCS1 L10083 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.4 CN1CCCC1=O 38986 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.4 CN1CCCC1=O 39176 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.4 CN1CCCC1=O 43741 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.4 CN1CCCC1=O 43894 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.4 CN1CCCC1=O 44063 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.4 CN1CCCC1=O A12260 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.22 COC(=O)C1CC1 B20853 [0,0,0,1,0,0|1,0,0]=2 283 B4R0.1 B(CC)(O)O L19959 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.1 C#CC(=O)O A13245 [2,0,0,0,0,0|0,0,2]=4 285 B4R0.1 C(=O)(SCl)Cl L06432 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.1 C(=O)([O-])O[O-] A16045 [2,0,0,0,0,0|1,1,0]=4 287 B4R0.1 C(=O)C(=O)O A16058 [2,0,0,0,0,0|0,1,1]=4 288 B4R0.1 C(=O)C(=O)O B25149 [2,0,0,0,0,0|0,1,1]=4 289 B4R0.1 C(C(=O)Br)Br A19580 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 C(C(=O)Cl)Cl A15846 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.1 C(C(=O)Cl)I L04428 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.1 C(C(=O)N)Br A11926 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.1 C(C(=O)N)Cl A15238 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.1 C(C(=O)N)I A14715 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.1 C(C(=O)N)N A11128 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.1 C(C(=O)O)Br A14403 [2,0,0,0,0,0|1,0,0]=3 297 B4R0.1 C(C(=O)O)Cl 41724 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.1 C(C(=O)O)Cl A11482 [2,0,0,0,0,0|1,0,0]=3 299 B4R0.1 C(C(=O)O)I A12410 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.1 C(C(=O)O)N 36435 [2,0,0,0,0,0|1,0,0]=3 301 B4R0.1 C(C(=O)O)N 43497 [2,0,0,0,0,0|1,0,0]=3 302 B4R0.1 C(C(=O)O)N A12162 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.1 C(C(=O)O)N A13816 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.1 C(C(=O)O)N J60154 [2,0,0,0,0,0|1,0,0]=3 305 B4R0.1 C(C(=O)O)N J61855 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 C(C(=O)O)N J62407 [2,0,0,0,0,0|1,0,0]=3 307 B4R0.1 C(C(=O)O)N J62527 [2,0,0,0,0,0|1,0,0]=3 308 B4R0.1 C(C(=O)O)N J64365 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 C(C(=O)O)N J67094 [2,0,0,0,0,0|1,0,0]=3 310 B4R0.1 C(C(=O)O)N J67147 [2,0,0,0,0,0|1,0,0]=3 311 B4R0.1 C(C(=O)O)N J67349 [2,0,0,0,0,0|1,0,0]=3 312 B4R0.1 C(C(=O)O)O A12511 [2,0,0,0,0,0|0,1,0]=3 313 B4R0.1 C(C(=O)O)O L14980 [2,0,0,0,0,0|0,1,0]=3 314 B4R0.1 C(C(=O)O)S B20391 [2,0,0,0,0,0|0,0,0]=2 315 B4R0.1 C(C(=O)[O-])Br L14983 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.1 C(C(=O)[O-])Cl A12379 [2,0,0,0,0,0|1,0,1]=4 317 B4R0.1 C(C(=O)[O-])O 39456 [2,0,0,0,0,0|0,1,1]=4 318 B4R0.1 C(C(=O)[O-])O A12341 [2,0,0,0,0,0|0,1,1]=4 319 B4R0.1 C(C(=O)[O-])S 45557 [2,0,0,0,0,0|0,0,1]=3 320 B4R0.1 C(C(=O)[O-])S L14356 [2,0,0,0,0,0|0,0,1]=3 321 B4R0.1 C=CC(=O)O 43359 [2,0,0,0,0,0|0,0,2]=4 322 B4R0.1 C=CC(=O)O 45779 [2,0,0,0,0,0|0,0,2]=4 323 B4R0.1 C=CC(=O)O L04280 [2,0,0,0,0,0|0,0,2]=4 324 B4R0.1 CC(=C)CCl B22674 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 CC(=C)CO H60502 [2,0,0,0,0,0|1,1,0]=4 326 B4R0.1 CC(=C)OC B24083 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.1 CC(=O)C#C L05527 [2,0,0,0,0,0|0,0,2]=4 328 B4R0.1 CC(=O)C#N H66636 [2,0,0,0,0,0|1,0,1]=4 329 B4R0.1 CC(=O)C=C A11910 [2,0,0,0,0,0|0,0,2]=4 330 B4R0.1 CC(=O)C=O B24664 [2,0,0,0,0,0|0,1,1]=4 331 B4R0.1 CC(=O)CCl A11922 [2,0,0,0,0,0|1,0,0]=3 332 B4R0.1 CC(=O)CO L15008 [2,0,0,0,0,0|0,1,0]=3 333 B4R0.1 CC(=O)NBr L02953 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.1 CC(=O)NC A17928 [2,0,0,0,0,0|1,0,0]=3 335 B4R0.1 CC(=O)NN A10969 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.1 CC(=O)NO L01569 [2,0,0,0,0,0|1,1,0]=4 337 B4R0.1 CC(=O)OC L14475 [2,0,0,0,0,0|0,0,0]=2 338 B4R0.1 CC(=O)SC A12400 [2,0,0,0,0,0|0,0,0]=2 339 B4R0.1 CC=C(C)C 31853 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.1 CCC(=C)Br B20067 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.1 CCC(=C)C H27230 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.1 CCC(=O)C 22924 [2,0,0,0,0,0|0,0,0]=2 343 B4R0.1 CCC(=O)C 31069 [2,0,0,0,0,0|0,0,0]=2 344 B4R0.1 CCC(=O)C 39119 [2,0,0,0,0,0|0,0,0]=2 345 B4R0.1 CCC(=O)C L13185 [2,0,0,0,0,0|0,0,0]=2 346 B4R0.1 CCC(=O)Cl A10940 [2,0,0,0,0,0|1,0,0]=3 347 B4R0.1 CCC(=O)N A10521 [2,0,0,0,0,0|1,0,0]=3 348 B4R0.1 CCC(=O)O L04210 [2,0,0,0,0,0|0,0,0]=2 349 B4R0.1 CCC(=O)[O-] 18865 [2,0,0,0,0,0|0,0,1]=3 350 B4R0.1 CCC(=O)[O-] A14994 [2,0,0,0,0,0|0,0,1]=3 351 B4R0.1 CCC(=O)[O-] A17440 [2,0,0,0,0,0|0,0,1]=3 352 B4R0.1 CCC(=O)[O-] B23636 [2,0,0,0,0,0|0,0,1]=3 353 B4R0.1 CCC(C)Br A15069 [2,0,0,0,0,0|1,0,1]=4 354 B4R0.1 CCC(C)C 19387 [2,0,0,0,0,0|1,0,1]=4 355 B4R0.1 CCC(C)Cl B21586 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.1 CCC(C)I B20619 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.1 CCC(C)N A13014 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.1 CCC(C)O 41871 [2,0,0,0,0,0|0,0,2]=4 359 B4R0.1 CCC(C)O 43315 [2,0,0,0,0,0|0,0,2]=4 360 B4R0.1 CCC(C)O A18658 [2,0,0,0,0,0|0,0,2]=4 361 B4R0.1 CCC(C)[O-] 30721 [2,0,0,0,0,0|0,0,2]=4 362 B4R0.1 CCC(C)[O-] 43712 [2,0,0,0,0,0|0,0,2]=4 363 B4R0.1 CCC(C)[O-] A13044 [2,0,0,0,0,0|0,0,2]=4 364 B4R0.1 CCC(C)[Zn+] H58714 [2,0,0,0,0,0|1,0,1]=4 365 B4R0.1 CCN(C)C B23992 [2,0,0,0,0,0|2,0,0]=4 366 B4R0.1 CC[C@@H](C)N L03889 [2,0,0,0,0,0|1,0,1]=4 367 B4R0.1 CC[C@@H](C)O L13983 [2,0,0,0,0,0|0,0,2]=4 368 B4R0.1 CC[C@H](C)N L10069 [2,0,0,0,0,0|1,0,1]=4 369 B4R0.1 CC[C@H](C)O L14164 [2,0,0,0,0,0|0,0,2]=4 370 B4R0.1 CC[N+](=O)[O-] A10855 [2,0,0,0,0,0|1,0,1]=4 371 B4R0.1 CNC(=O)N B24772 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.1 COC(=N)N A14773 [2,0,0,0,0,0|2,0,0]=4 373 B4R0.1 COC(=O)N A16523 [2,0,0,0,0,0|1,0,0]=3 374 B4R0.1 CSC(=[NH2+])N A11044 [2,0,0,0,0,0|2,0,0]=4 375 B4R0.1 C\C=C(\C)/Br A18058 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.1 [Li]C(C)CC 43028 [2,0,0,0,0,0|1,0,1]=4 377 B4R0.2 CCC#CC L02973 [2,0,0,0,0,0|1,0,1]=4 378 B4R0.2 CCCC=C A16723 [2,0,0,0,0,0|1,0,1]=4 379 B4R0.2 CCCC=O A18243 [2,0,0,0,0,0|1,0,0]=3 380 B4R0.2 CCCCC 17381 [2,0,0,0,0,0|1,0,1]=4 381 B4R0.2 CCCCC 22907 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.2 CCCCC 32449 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.2 CCCCC 40981 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.2 CCCCC 44255 [2,0,0,0,0,0|1,0,1]=4 385 B4R0.2 CCCCC 47115 [2,0,0,0,0,0|1,0,1]=4 386 B4R0.2 CCCCC H27427 [2,0,0,0,0,0|1,0,1]=4 387 B4R0.2 CCCCO 22925 [2,0,0,0,0,0|1,0,1]=4 388 B4R0.2 CCCCO 31068 [2,0,0,0,0,0|1,0,1]=4 389 B4R0.2 CCCCO 32443 [2,0,0,0,0,0|1,0,1]=4 390 B4R0.2 CCCCO 41867 [2,0,0,0,0,0|1,0,1]=4 391 B4R0.2 CCCCO L13171 [2,0,0,0,0,0|1,0,1]=4 392 B4R0.2 CCCCS 43421 [2,0,0,0,0,0|1,0,1]=4 393 B4R0.2 CCCNC A16903 [2,0,0,0,0,0|1,0,1]=4 394 B4R0.2 CCCSC L09346 [2,0,0,0,0,0|0,0,1]=3 395 B4R0.2 CCNCC A10452 [2,0,0,0,0,0|2,0,0]=4 396 B4R0.2 CCNCC A11716 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.2 CCNCC A13637 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.2 CCOC=O A11113 [2,0,0,0,0,0|2,0,0]=4 399 B4R0.2 CCOCC 16767 [2,0,0,0,0,0|2,0,0]=4 400 B4R0.2 CCOCC 33224 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.2 CCOCC 38990 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.2 CCOCC 40976 [2,0,0,0,0,0|2,0,0]=4 403 B4R0.2 CCOCC 41796 [2,0,0,0,0,0|2,0,0]=4 404 B4R0.2 CCOCC A15275 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.2 CCOCC H33678 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.2 CCOCC L15481 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.2 CCSCC 10482 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.2 CCSCC 10484 [2,0,0,0,0,0|2,0,0]=4 409 B4R0.2 CCSCC L03493 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.2 CC[Al+]CC 87625 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.2 CC[Al+]CC 89035 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.2 CC[N-]CC 40445 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.2 CC[N-]CC 42759 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.2 CC[N-]CC 42855 [2,0,0,0,0,0|2,0,0]=4 415 B4R0.2 CC[N-]CC 43419 [2,0,0,0,0,0|2,0,0]=4 416 B4R0.2 CC[SiH2]CC L16468 [2,0,0,0,0,0|1,1,0]=4 417 B4R0.2 CC[Sn+2]CC 71155 [2,0,0,0,0,0|2,0,0]=4 418 B4R0.2 CC[Zn]CC 39564 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.2 CC[Zn]CC 44880 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.2 CC[Zn]CC 89038 [2,0,0,0,0,0|2,0,0]=4 421 B4R0.2 CC\C=C\C A17736 [2,0,0,0,0,0|1,0,0]=3 422 B4R0.2 CC\C=C\C L09421 [2,0,0,0,0,0|1,0,0]=3 423 B4R0.2 CNCC=C H27551 [2,0,0,0,0,0|1,0,1]=4 424 B4R0.2 CNCCO B23180 [2,0,0,0,0,0|1,0,1]=4 425 B4R0.2 COCC=C 18652 [2,0,0,0,0,0|0,1,1]=4 426 B4R0.2 COCCBr A15370 [2,0,0,0,0,0|1,0,1]=4 427 B4R0.2 COCCCl B24081 [2,0,0,0,0,0|1,0,1]=4 428 B4R0.2 COCCN B22924 [2,0,0,0,0,0|1,0,1]=4 429 B4R0.2 COCCO 31733 [2,0,0,0,0,0|0,1,1]=4 430 B4R0.2 COCCO 32444 [2,0,0,0,0,0|0,1,1]=4 431 B4R0.2 COCCO A17459 [2,0,0,0,0,0|0,1,1]=4 432 B4R0.2 COCC[O-] 40471 [2,0,0,0,0,0|0,1,1]=4 433 B4R0.2 COCC[O-] 41237 [2,0,0,0,0,0|0,1,1]=4 434 B4R0.2 COCC[O-] 41256 [2,0,0,0,0,0|0,1,1]=4 435 B4R0.2 COCC[O-] 41793 [2,0,0,0,0,0|0,1,1]=4 436 B4R0.2 COCC[O-] 42377 [2,0,0,0,0,0|0,1,1]=4 437 B4R0.2 COCC[O-] 42378 [2,0,0,0,0,0|0,1,1]=4 438 B4R0.2 COCC[O-] 42522 [2,0,0,0,0,0|0,1,1]=4 439 B4R0.2 COCC[O-] 42819 [2,0,0,0,0,0|0,1,1]=4 440 B4R0.2 COCC[O-] 43903 [2,0,0,0,0,0|0,1,1]=4 441 B4R0.2 COCC[O-] A13292 [2,0,0,0,0,0|0,1,1]=4 442 B4R0.2 COCOC A12055 [2,0,0,0,0,0|0,1,0]=3 443 B4R0.2 CSCC#N L03066 [2,0,0,0,0,0|1,0,1]=4 444 B4R0.2 CSCC=C B22514 [2,0,0,0,0,0|0,0,1]=3 445 B4R0.2 CSCCN B22941 [2,0,0,0,0,0|1,0,1]=4 446 B4R0.2 CSCCO L05442 [2,0,0,0,0,0|0,0,1]=3 447 B4R0.2 CSCSC A19706 [2,0,0,0,0,0|0,1,0]=3 448 B4R0.2 CSSSC H32913 [2,0,0,0,0,0|1,1,0]=4 449 B4R0.2 C\C=C\C=O L03362 [2,0,0,0,0,0|1,0,1]=4 450 B4R0.2 C\C=C\CO A10681 [2,0,0,0,0,0|1,1,0]=4 451 B4R0.2 C\C=C\C[Mg+] H51171 [2,0,0,0,0,0|2,0,0]=4 452 B6R0.2 C(C(=O)O)C(=O)O 31715 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.2 C(C(=O)O)C(=O)O A11526 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.2 CC(=C)OC(=O)C A15618 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.2 CC(=CC(=O)C)C A15111 [1,1,0,0,0,0|1,0,1]=4 456 B6R0.2 CC(=CC(=O)O)C A16865 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.2 CC(=O)CC(=O)C A14117 [1,1,0,0,0,0|1,0,0]=3 458 B6R0.2 CC(=O)OC(=O)C 36292 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.2 CC(=O)OC(=O)C L04295 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.2 CC(=O)[CH-]C(=O)C 30529 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.2 CC(C)CC(=C)C B20002 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.2 CC(C)CC(=O)C 33346 [1,1,0,0,0,0|1,0,0]=3 463 B6R0.2 CC(C)CC(=O)C 43170 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.2 CC(C)CC(=O)C A11618 [1,1,0,0,0,0|1,0,0]=3 465 B6R0.2 CC(C)CC(=O)Cl B24002 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.2 CC(C)CC(=O)N L09072 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.2 CC(C)CC(=O)O A18642 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.2 CC(C)OC(=O)C L09337 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.2 CC(CC(=O)C)[O-] 12542 [1,1,0,0,0,0|1,0,0]=3 470 B6R0.2 CC(CC(=O)C)[O-] 44538 [1,1,0,0,0,0|1,0,0]=3 471 B6R0.2 CC(CC(=O)O)Br B25684 [1,1,0,0,0,0|1,0,0]=3 472 B6R0.2 CC(CC(=O)O)O 43354 [1,1,0,0,0,0|1,0,0]=3 473 B6R0.2 CC(CC(=O)O)O H30426 [1,1,0,0,0,0|1,0,0]=3 474 B6R0.2 CC(CC(=O)[O-])O A11613 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.2 CC([O-])CC(=O)C 46727 [1,1,0,0,0,0|1,0,0]=3 476 B6R0.2 CN(C)CC(=O)Cl L18475 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.2 CN(C)CC(=O)O A18892 [1,1,0,0,0,0|1,0,0]=3 478 B6R0.2 CN(C)CC(=O)O A19670 [1,1,0,0,0,0|1,0,0]=3 479 B6R0.2 C\C(=C/C(=O)C)\[O-] H55532 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.2 C\C(=C\C(=O)C)\N L08379 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.2 C\C(=C\C(=O)C)\[O-] 10514 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.2 C\C(=C\C(=O)C)\[O-] 10517 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.2 C\C(=C\C(=O)C)\[O-] 10526 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.2 C\C(=C\C(=O)C)\[O-] 10568 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.2 C\C(=C\C(=O)C)\[O-] 12527 [1,1,0,0,0,0|1,0,1]=4 486 B6R0.2 C\C(=C\C(=O)C)\[O-] 12530 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.2 C\C(=C\C(=O)C)\[O-] 12532 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.2 C\C(=C\C(=O)C)\[O-] 12534 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.2 C\C(=C\C(=O)C)\[O-] 12535 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.2 C\C(=C\C(=O)C)\[O-] 12536 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.2 C\C(=C\C(=O)C)\[O-] 12537 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.2 C\C(=C\C(=O)C)\[O-] 12538 [1,1,0,0,0,0|1,0,1]=4 493 B6R0.2 C\C(=C\C(=O)C)\[O-] 13794 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.2 C\C(=C\C(=O)C)\[O-] 14065 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.2 C\C(=C\C(=O)C)\[O-] 14614 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.2 C\C(=C\C(=O)C)\[O-] 18811 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.2 C\C(=C\C(=O)C)\[O-] 22940 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.2 C\C(=C\C(=O)C)\[O-] 30526 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.2 C\C(=C\C(=O)C)\[O-] 30532 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.2 C\C(=C\C(=O)C)\[O-] 39288 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.2 C\C(=C\C(=O)C)\[O-] 39295 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.2 C\C(=C\C(=O)C)\[O-] 39411 [1,1,0,0,0,0|1,0,1]=4 503 B6R0.2 C\C(=C\C(=O)C)\[O-] 39630 [1,1,0,0,0,0|1,0,1]=4 504 B6R0.2 C\C(=C\C(=O)C)\[O-] 41968 [1,1,0,0,0,0|1,0,1]=4 505 B6R0.2 C\C(=C\C(=O)C)\[O-] 42463 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.2 C\C(=C\C(=O)C)\[O-] 44140 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.2 C\C(=C\C(=O)C)\[O-] 78113 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.2 C\C(=C\C(=O)C)\[O-] 81119 [1,1,0,0,0,0|1,0,1]=4 509 B6R0.2 C\C(=C\C(=O)C)\[O-] 89360 [1,1,0,0,0,0|1,0,1]=4 510 B6R0.2 C\C(=C\C(=O)C)\[O-] 89858 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.2 C\C(=C\C(=O)C)\[O-] A14920 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.2 C\C(=C\C(=O)C)\[O-] A18762 [1,1,0,0,0,0|1,0,1]=4 513 B6R0.2 C\C(=C\C(=O)C)\[O-] B24009 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.2 C\C(=C\C(=O)C)\[O-] B24165 [1,1,0,0,0,0|1,0,1]=4 515 B6R0.2 C\C(=C\C(=O)C)\[O-] H55131 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.2 C\C(=C\C(=O)C)\[O-] H60380 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.3 C(C(C(=O)O)Br)F H31718 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.3 C(C(C(=O)O)N)N L09485 [1,1,0,0,0,0|2,0,0]=4 519 B6R0.3 C(C(C(=O)O)N)O A15184 [1,1,0,0,0,0|2,0,0]=4 520 B6R0.3 C(C(C(=O)O)N)S H25779 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.3 C(C(C(=O)O)N)S H56126 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.3 C(C(C(=O)O)O)N H53412 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.3 C([C@@H](C(=O)O)N)N H62128 [1,1,0,0,0,0|2,0,0]=4 524 B6R0.3 C([C@@H](C(=O)O)N)O A11179 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.3 C([C@@H](C(=O)O)N)S A10389 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.3 C([C@@H](C(=O)O)N)S A10435 [1,1,0,0,0,0|2,0,0]=4 527 B6R0.3 C([C@@H](C(=O)O)N)S L06328 [1,1,0,0,0,0|2,0,0]=4 528 B6R0.3 C([C@@H](C(=O)O)O)N H60945 [1,1,0,0,0,0|2,0,0]=4 529 B6R0.3 C([C@H](C(=O)O)N)O A11353 [1,1,0,0,0,0|2,0,0]=4 530 B6R0.3 C([C@H](C(=O)O)N)S H27107 [1,1,0,0,0,0|2,0,0]=4 531 B6R0.3 C([C@H](C(=O)O)N)S H62627 [1,1,0,0,0,0|2,0,0]=4 532 B6R0.3 CC(=O)C(=O)OC A13966 [1,1,0,0,0,0|0,1,1]=4 533 B6R0.3 CC(=O)N(C)OC H65226 [1,1,0,0,0,0|1,1,0]=4 534 B6R0.3 CC(C(=O)O)NC H65287 [1,1,0,0,0,0|1,0,0]=3 535 B6R0.3 CC(CO)C(=O)C H28483 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.3 CCC(=O)C(=O)C A13116 [1,1,0,0,0,0|1,0,1]=4 537 B6R0.3 CCC(C(=O)C)S B21797 [1,1,0,0,0,0|1,0,0]=3 538 B6R0.3 CCC(C(=O)Cl)Cl L11207 [1,1,0,0,0,0|2,0,0]=4 539 B6R0.3 CCC(C(=O)N)Cl B21783 [1,1,0,0,0,0|2,0,0]=4 540 B6R0.3 CCC(C(=O)O)Br B21743 [1,1,0,0,0,0|1,0,0]=3 541 B6R0.3 CCC(C(=O)O)Cl L20083 [1,1,0,0,0,0|1,0,0]=3 542 B6R0.3 CCC(C(=O)O)N L06035 [1,1,0,0,0,0|1,0,0]=3 543 B6R0.3 CCC(C(=O)[O-])O A18636 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.3 CCC(C)C(=O)C A19999 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.3 CCC(C)C(=O)Cl B22599 [1,1,0,0,0,0|2,0,0]=4 546 B6R0.3 CCC(C)C(=O)O A11546 [1,1,0,0,0,0|1,0,0]=3 547 B6R0.3 CC[C@@H](C(=O)N)N H55576 [1,1,0,0,0,0|2,0,0]=4 548 B6R0.3 CC[C@@H](C(=O)O)N L13984 [1,1,0,0,0,0|1,0,0]=3 549 B6R0.3 CC[C@H](C(=O)O)N L14096 [1,1,0,0,0,0|1,0,0]=3 550 B6R0.3 C[C@@H](C(=O)O)NC H60103 [1,1,0,0,0,0|1,0,0]=3 551 B6R0.3 C[C@H](C(=O)O)NC H65840 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.3 C\C=C(/C)\C(=O)C L13548 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.3 C\C=C(/C)\C(=O)O A13905 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.4 C#CCCC(=O)O L09282 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.4 C(C(=O)O)NC=O H31053 [1,1,0,0,0,0|1,0,1]=4 556 B6R0.4 C(CC(=O)Cl)CBr A12094 [1,1,0,0,0,0|2,0,0]=4 557 B6R0.4 C(CC(=O)Cl)CCl A12249 [1,1,0,0,0,0|2,0,0]=4 558 B6R0.4 C(CC(=O)O)CBr A12870 [1,1,0,0,0,0|1,0,0]=3 559 B6R0.4 C(CC(=O)O)CN A11016 [1,1,0,0,0,0|1,0,0]=3 560 B6R0.4 C=CCCC(=O)O A13991 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.4 CC(=O)CCC=C B22505 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.4 CC(=O)CCCCl A10269 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.4 CC(=O)CCSC B22206 [1,1,0,0,0,0|0,0,0]=2 564 B6R0.4 CC(=O)NCCCl A11802 [1,1,0,0,0,0|2,0,0]=4 565 B6R0.4 CC(=O)NCCN L13398 [1,1,0,0,0,0|2,0,0]=4 566 B6R0.4 CC(=O)NCCO A18638 [1,1,0,0,0,0|2,0,0]=4 567 B6R0.4 CC(=O)OCC#C L10031 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.4 CC(=O)OCC=C 41353 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.4 CC(=O)OCSC H32310 [1,1,0,0,0,0|0,0,0]=2 570 B6R0.4 CC(=O)\C=C\OC A11235 [1,1,0,0,0,0|0,1,1]=4 571 B6R0.4 CCC#CC(=O)C L05315 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.4 CCC#CC(=O)O H53411 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.4 CCCCC(=O)C A14867 [1,1,0,0,0,0|1,0,0]=3 574 B6R0.4 CCCCC(=O)Cl B22637 [1,1,0,0,0,0|2,0,0]=4 575 B6R0.4 CCCCC(=O)N L14601 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.4 CCCCC(=O)O A16238 [1,1,0,0,0,0|1,0,0]=3 577 B6R0.4 CCCC[Sn](=O)O A18290 [1,1,0,0,0,0|2,0,0]=4 578 B6R0.4 CCCNC(=O)N A10160 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.4 CCCOC(=O)C L15355 [1,1,0,0,0,0|1,0,0]=3 580 B6R0.4 CCCSC(=O)C B21875 [1,1,0,0,0,0|1,0,0]=3 581 B6R0.4 CCOCC(=O)Cl H34443 [1,1,0,0,0,0|1,1,0]=4 582 B6R0.4 CCOCC(=O)O B24194 [1,1,0,0,0,0|0,1,0]=3 583 B6R0.4 CCSCC(=O)C L04142 [1,1,0,0,0,0|0,0,0]=2 584 B6R0.4 CCSCC(=O)O L04743 [1,1,0,0,0,0|0,0,0]=2 585 B6R0.4 CC\C=C\C(=O)O A12689 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.4 CSCCC(=O)O L12861 [1,1,0,0,0,0|0,0,0]=2 587 B6R0.5 CNCP(=O)(O)O H35326 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.6 CCCCOCC A17963 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.6 CCC\C=C/CO A13734 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.6 CCC\C=C\CC B25297 [1,1,0,0,0,0|2,0,0]=4 591 B6R0.6 CCC\C=C\CC H53482 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.6 CCC\C=C\CO A13272 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.6 CCOCCOC B20819 [1,1,0,0,0,0|0,1,1]=4 594 B6R0.6 CC\C=C\OCC H26720 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.6 COCCCCO H50339 [1,1,0,0,0,0|1,0,1]=4 596 B6R0.6 COCCOCCl L01050 [1,1,0,0,0,0|0,1,1]=4 597 B6R0.6 CSCCCCO B22673 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.6 CSCCCSC B22397 [1,1,0,0,0,0|0,1,1]=4 599 B6R0.6 CSCSCSC H26435 [1,1,0,0,0,0|0,1,1]=4 600 B6R0.6 C\C=C/CCCO A19266 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.6 C\C=C\CCCO H54459 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.8 CCP(=O)(CC)Cl H27681 [1,1,0,0,0,0|2,0,0]=4 603 B6R0.8 COP(=O)(C)OC A14268 [1,1,0,0,0,0|1,1,0]=4 604 B6R0.9 B(CC)(CC)OC L15107 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.9 CCC(CC)C=O B23465 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.9 CCN(CC)C=O L04503 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.9 COC(C=O)OC L18490 [1,1,0,0,0,0|0,1,1]=4 608 B8R0.2 CC(C)C(C(=O)OC)N L06526 [0,2,0,0,0,0|1,0,0]=3 609 B8R0.2 CC(C)[C@@H](C(=O)OC)N A15892 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.2 CC(C)[C@H](C(=O)OC)N H26883 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.2 C[C@H]([C@@H](C(=O)OC)N)O H62118 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.5 CC(C)OC(=O)CC#N A11887 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.5 CCOC(=O)CC(=N)N H64288 [0,2,0,0,0,0|2,0,0]=4 614 B8R0.5 CCOC(=O)CC(=O)C A12544 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.5 CCOC(=O)CC(=O)O 44692 [0,2,0,0,0,0|2,0,0]=4 616 B8R0.5 CCOC(=O)CC(=O)O A12627 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.5 CCOC(=O)CC(=O)[O-] A10720 [0,2,0,0,0,0|2,0,0]=4 618 B8R0.5 CCOC(=O)CC(C)C A10292 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.5 CCOC(=O)CC(C)O B21521 [0,2,0,0,0,0|1,0,0]=3 620 B8R0.5 CCOC(=O)C[N+](=O)[O-] A14433 [0,2,0,0,0,0|2,0,0]=4 621 B8R0.5 CCOC(=O)C[S+](C)C L00266 [0,2,0,0,0,0|0,0,1]=3 622 B8R0.5 CCOC(=O)\C=C(\C)/N A12991 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.19 CCC(=O)CC(=O)CC A18165 [0,2,0,0,0,0|2,0,0]=4 624 B8R0.19 CCC(=O)CC(=O)OC B24848 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.19 COC(=O)CC(=O)CCl H64709 [0,2,0,0,0,0|1,0,0]=3 626 B8R0.19 COC(=O)CC(=O)OC A11007 [0,2,0,0,0,0|0,1,0]=3 627 B8R0.19 C\C(=C\C(=O)OC)\NC B20199 [0,2,0,0,0,0|1,0,1]=4 628 B8R0.24 CC(C)(C)CC(=O)OC L07005 [0,2,0,0,0,0|1,0,0]=3 629 B8R0.24 COC(=O)CS(=O)(=O)C L08039 [0,2,0,0,0,0|0,0,1]=3 630 B8R0.24 COC(=O)N[Si](C)(C)C L17352 [0,2,0,0,0,0|2,0,0]=4 631 B8R0.1 CCC#CC(=O)OCC L02703 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.1 CCCCC(=O)OCC A14854 [0,2,0,0,0,0|1,0,0]=3 633 B8R0.1 CCCCC(=O)\C=C\C B22250 [0,2,0,0,0,0|2,0,0]=4 634 B8R0.1 CCOC(=O)CCC=C A12422 [0,2,0,0,0,0|1,0,1]=4 635 B8R0.1 CCOC(=O)CCCBr A13470 [0,2,0,0,0,0|1,0,0]=3 636 B8R0.1 CCOC(=O)CCCCl A11070 [0,2,0,0,0,0|1,0,0]=3 637 B8R0.1 CCOC(=O)CCCN L06863 [0,2,0,0,0,0|1,0,0]=3 638 B8R0.1 CCOC(=O)CCC[Zn+] H58023 [0,2,0,0,0,0|1,0,0]=3 639 B8R0.1 CCOC(=O)CCSC A11742 [0,2,0,0,0,0|0,0,0]=2 640 B8R0.1 CCOC(=O)CN=C=O L10609 [0,2,0,0,0,0|1,0,1]=4 641 B8R0.1 CCOC(=O)CNC=O L10437 [0,2,0,0,0,0|1,0,1]=4 642 B8R0.1 CCOC(=O)\C=C\CBr A10371 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.1 C\C=C\C(=O)OCC=C L03414 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.3 CCC(=O)C(=O)OCC H66476 [0,2,0,0,0,0|1,0,1]=4 645 B8R0.3 CCC(C(=O)OCC)Br A12729 [0,2,0,0,0,0|1,0,0]=3 646 B8R0.3 CCC(C)C(=O)OCC L06743 [0,2,0,0,0,0|1,0,0]=3 647 B8R0.3 CCC(C)C(=O)\C=C\C B22335 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.3 CCCC(=O)C(CC)Br H32094 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.3 CCCC(C)C(=O)OC A19812 [0,2,0,0,0,0|1,0,0]=3 650 B8R0.3 CCC[C@@H](C(=O)OC)N H65017 [0,2,0,0,0,0|1,0,0]=3 651 B8R0.3 CCOC(=O)C(CBr)Br A15591 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.3 CCOC(=O)[C@H](CO)N A14174 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.3 CCOC(=O)[C@H](CS)N L04692 [0,2,0,0,0,0|2,0,0]=4 654 B8R0.3 CCOC(=O)\C(=C\C)\C A12029 [0,2,0,0,0,0|1,0,1]=4 655 B8R0.6 CCCC#CC(=O)OC B23065 [0,2,0,0,0,0|1,0,0]=3 656 B8R0.6 CCCCCC(=O)CC A12113 [0,2,0,0,0,0|2,0,0]=4 657 B8R0.6 CCCCCC(=O)OC A10757 [0,2,0,0,0,0|1,0,0]=3 658 B8R0.6 CCCCOC(=O)CC B20125 [0,2,0,0,0,0|2,0,0]=4 659 B8R0.6 CCC\C=C\C(=O)OC L08030 [0,2,0,0,0,0|1,0,0]=3 660 B8R0.6 COC(=O)CCCC#C H53370 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.6 COC(=O)CCCCBr A19072 [0,2,0,0,0,0|1,0,0]=3 662 B8R0.6 COC(=O)CCCCCl B25408 [0,2,0,0,0,0|1,0,0]=3 663 B8R0.6 COC(=O)CCCSC L11000 [0,2,0,0,0,0|0,0,0]=2 664 B8R0.6 COC(=O)CCN=C=S L09996 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.8 CCCCC(=O)C(=O)C A19136 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.8 CCCOC(=O)C(=C)C L09493 [0,2,0,0,0,0|2,0,0]=4 667 B8R0.9 CC(=O)CCC(=O)OC 43397 [0,2,0,0,0,0|1,0,0]=3 668 B8R0.9 CC(C)\C=C\C(=O)OC L20191 [0,2,0,0,0,0|1,0,1]=4 669 B8R0.9 CCC(=O)OCC(C)C H59612 [0,2,0,0,0,0|2,0,0]=4 670 B8R0.9 COC(=O)CCC(=O)O H59722 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.14 CCCC(=O)C(C)(C)C B20612 [0,2,0,0,0,0|2,0,0]=4 672 B8R0.22 COC(CSC)CSC B24904 [0,2,0,0,0,0|0,1,1]=4 673 B8R0.20 CCC(C(=O)OC)SC B22303 [0,2,0,0,0,0|0,0,0]=2 674 B8R0.20 COC(C(=O)OC)OC A12171 [0,2,0,0,0,0|0,1,0]=3 675 B6R1.2 C1C=CC(=O)O1 L13142 [1,0,0,1,0,0|1,0,1]=4 676 B6R1.2 C1CC(=O)C=C1 B23408 [1,0,0,1,0,0|1,0,1]=4 677 B6R1.2 C1CC(=O)NC1 A15332 [1,0,0,1,0,0|2,0,0]=4 678 B6R1.2 C1CC(=O)NC1 L00177 [1,0,0,1,0,0|2,0,0]=4 679 B6R1.2 C1CC(=O)OC1 A16314 [1,0,0,1,0,0|1,0,0]=3 680 B6R1.2 C1CCC(=O)C1 A14222 [1,0,0,1,0,0|1,0,0]=3 681 B6R1.2 C1CCS(=O)C1 A17502 [1,0,0,1,0,0|2,0,0]=4 682 B6R1.2 C1COC(=O)N1 A14543 [1,0,0,1,0,0|2,0,0]=4 683 B6R1.2 C1COC(=O)O1 A15735 [1,0,0,1,0,0|2,0,0]=4 684 B6R1.2 C1COCC1=O H66940 [1,0,0,1,0,0|0,1,0]=3 685 B6R1.2 C1CSCC1=O A11002 [1,0,0,1,0,0|0,0,0]=2 686 B6R1.2 CC1=CCCC1 A18816 [1,0,0,1,0,0|2,0,0]=4 687 B6R1.2 CC1=NCCC1 44853 [1,0,0,1,0,0|2,0,0]=4 688 B6R1.11 C1CC1C(=O)Cl A11948 [1,0,0,1,0,0|2,0,0]=4 689 B6R1.11 C1CC1C(=O)N B21871 [1,0,0,1,0,0|2,0,0]=4 690 B6R1.11 C1CC1C(=O)O A14215 [1,0,0,1,0,0|1,0,0]=3 691 B6R1.11 CC(=O)C1CC1 A13540 [1,0,0,1,0,0|1,0,0]=3 692 B6R1.1 C1CC=COC1 L02731 [1,0,0,1,0,0|1,0,1]=4 693 B6R1.1 C1CCC=CC1 A11359 [1,0,0,1,0,0|2,0,0]=4 694 B6R1.1 C1CCOCC1 A13392 [1,0,0,1,0,0|1,0,1]=4 695 B6R1.1 C1CCSCC1 L03063 [1,0,0,1,0,0|1,0,1]=4 696 B6R1.1 C1COC=CO1 H33597 [1,0,0,1,0,0|0,1,1]=4 697 B6R1.1 C1COCCN1 31984 [1,0,0,1,0,0|1,0,1]=4 698 B6R1.1 C1COCCN1 A10355 [1,0,0,1,0,0|1,0,1]=4 699 B6R1.1 C1COCCN1 L15110 [1,0,0,1,0,0|1,0,1]=4 700 B6R1.1 C1COCCO1 22913 [1,0,0,1,0,0|0,1,1]=4 701 B6R1.1 C1COCCO1 39118 [1,0,0,1,0,0|0,1,1]=4 702 B6R1.1 C1COCCO1 43167 [1,0,0,1,0,0|0,1,1]=4 703 B6R1.1 C1COCCO1 43821 [1,0,0,1,0,0|0,1,1]=4 704 B6R1.1 C1COCCO1 A14188 [1,0,0,1,0,0|0,1,1]=4 705 B6R1.1 C1CSCCN1 A15958 [1,0,0,1,0,0|1,0,1]=4 706 B6R1.1 C1CSCCN1 L19470 [1,0,0,1,0,0|1,0,1]=4 707 B6R1.1 C1CSCCO1 A18052 [1,0,0,1,0,0|0,0,1]=3 708 B6R1.1 C1CSCSC1 A10505 [1,0,0,1,0,0|2,0,0]=4 709 B6R1.6 CNC1COC1 H57425 [1,0,0,1,0,0|1,0,1]=4 710 B6R1.6 COC1CNC1 H57769 [1,0,0,1,0,0|1,0,1]=4 711 B8R1.1 C=CC1COC(=O)O1 H60822 [0,1,0,1,0,0|1,0,1]=4 712 B8R1.1 CCC1CCC(=O)C1 B20432 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.1 CCC1CCC(=O)O1 A19642 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.4 C1C(=O)OC(=O)CO1 B24498 [0,1,0,1,0,0|0,1,1]=4 715 B8R1.4 C1CC(=O)CC(=O)C1 A11109 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.4 C1CC(=O)OC(=O)C1 A11152 [0,1,0,1,0,0|1,0,1]=4 717 B8R1.4 CC1=CC(=O)CCC1 A15704 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.4 CC1CCCC(=O)O1 A19274 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.4 CN1CCNC(=O)C1 H57633 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.51 CC1(CC(=O)NC1)C H33209 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.3 C1C(=O)OCC(=O)O1 B20096 [0,1,0,1,0,0|0,1,1]=4 722 B8R1.3 CC1CCC(=O)CC1 A13186 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.3 CN1CCC(=O)CC1 A13352 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.5 C1CCC(=O)C(=O)C1 A14401 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.5 C1CCC(=O)C(C1)Cl A18613 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.5 C1CCC(=O)C(C1)F H26032 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.5 CC1CCCCC1=O A14741 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.22 C1CC(=O)CCNC1 H66355 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.22 C1CCC(=O)NCC1 L06999 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.22 C1CCC(=O)OCC1 A10299 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.22 C1CCC(=O)[N-]CC1 44686 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.22 C1CCCC(=O)CC1 A13421 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.22 C1CNCCNC1=O H26990 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.22 C1COCCNC1=O B22406 [0,1,0,1,0,0|1,1,0]=4 735 B8R1.38 COC(=O)C1CNC1 H57489 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.37 CCOC(=O)C1CC1 B24870 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.8 CSCc1ccco1 B21691 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.11 CCN1CCCC1=O B24548 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.72 C1CCS(=O)(=O)OC1 L03992 [0,1,0,1,0,0|2,0,0]=4