0 B7R0.3 C=CC(=O)NCCN S10694 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C=CC(=O)NCCO D78367 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 C=CC(=O)OCCO D78194 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 C=CCOC(=O)C=C D88468 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.3 C=CCOC(=O)CCl 76814 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 C=CCOC(=O)OC H10625 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.3 CCCCC(=O)CC D90783 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 CCCCC(=O)NN 74164 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CCCC[C@H](N)CO A11352 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 CCCC[C@H](N)CO N12322 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 CCCC[C@H](O)CO F11270 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.3 CCCOC(=O)OC D83836 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.3 CC\C=C\C(=O)OC S12000 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 CNCCC(=O)NC 30723 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.3 CNCCC(=O)OC 32388 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.3 COC(=O)CCC#N 82641 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.3 COC(=O)CCC=O 63110 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.3 COC(=O)CCCBr S11981 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.3 COC(=O)CCCCl 28856 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.3 COC(=O)CCCN 64233 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.3 COC(=O)\C=C\CBr F11439 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 COC(=O)\C=C\CBr O11933 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 CO\C=C\C(=O)OC D73879 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.3 CO\C=C\C(=O)OC O11915 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 C#CC(=O)OCC 35931 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.1 C=CC(=O)NCC AB9195 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.1 C=CCC(=O)OC F15018 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.1 C=COC(=O)CCl D95397 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 CC#CC(=O)OC D73343 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.1 CCC(=O)CC#N 28991 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.1 CCCC(=O)CC D90801 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.1 CCCC(=O)NN O11707 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CCCC(=O)SC D91533 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.1 CCC[C@H](C)CCl D89415 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CCC[C@H](N)CO A10468 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 CCC[C@H](O)CO 73676 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 CCOC(=N)CC W15737 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.1 CCOC(=O)CN C93496 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.1 CCOC(=O)CO 39380 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.1 CCOC(=O)CS F21271 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.1 CCOC(=O)NC D91332 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.1 CCOC(=O)NN D77690 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.1 CCOC(=O)OC A11149 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.1 CCO[C@@H](C)CC D88933 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.1 CCO\C(C)=N\O 23036 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.1 CCO\C(C)=N\O H10740 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.1 CNC(=O)CC#N 23669 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.1 CNCC(=O)NC 71568 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.1 CNCC(=O)OC 73733 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 COC(=O)CC#N D77797 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.1 COC(=O)CCBr AB7483 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.1 COC(=O)CCCl D95821 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.1 COC(=O)CCN S12362 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.1 COC(=O)CCO 29940 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.1 COC(=O)CCS D70327 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 COC(=O)CSC D87959 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.1 COCC(=O)NN F14662 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.1 CONC(=O)OC D81547 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.1 C\C=C\C(=O)CC 74326 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.1 O=C(CCl)NCO O10755 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.4 C#CCOC(C)=O 36884 [1,0,0,0,0,0|0,0,2]=3 64 B6R0.4 C=C(C)CNCC D95542 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 C=CCOC(=O)Cl D87847 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 C=CCOC(N)=O D97550 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.4 CC(=O)CCCCl D77754 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CC(=O)CCCO 24602 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CC(=O)NCCN D70867 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(=O)NCCO FD10637 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(=O)NCCS AT13754 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CC(=O)OCCBr C10198 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.4 CC(=O)OCCCl D88201 [1,0,0,0,0,0|1,0,0]=2 74 B6R0.4 CC(=O)OCCO D88371 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.4 CC(C)=CCCBr F19983 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.4 CCC#CC(=O)O D84135 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 CCCCC(=N)N 31933 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.4 CCCCC(=N)N W16181 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 CCCCC(=O)[O-] F16484 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.4 CCCCC(N)=O A10835 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.4 CCCNC(C)=O D97464 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 CCCNC(N)=S D86341 [1,0,0,0,0,0|2,1,0]=4 83 B6R0.4 CCCOC(=S)[S-] D91970 [1,0,0,0,0,0|1,1,0]=3 84 B6R0.4 CCCOC(N)=O F16337 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.4 CCCSC(C)=O D92148 [1,0,0,0,0,0|0,1,0]=2 86 B6R0.4 CCSCC(=O)O D95699 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.4 CC\C=C\C(=O)O D72497 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.4 CC\C=C\C(=O)O P17755 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.4 CNCCC(=O)O 29150 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 CNCCC(=O)O C76064 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 COCCC(=O)O F14687 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 CO\C=C\C(C)=O D78013 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.4 CO\C=C\C(C)=O F50213 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 CSCCC(=O)O D87669 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 CSCCC(C)=O D91573 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.4 CSCOC(C)=O D88428 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.4 NC(=O)NCCO C10765 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 NCCCC(=O)O D70585 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 NCCNC(N)=O D83060 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.4 O=C(Cl)CCCBr P19996 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.4 O=C(Cl)OCCCl AT19702 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.4 O=C(O)CCCBr 20498 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.4 O=C(O)CCCCl F19286 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 O=C(O)CCCS F20547 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.6 BrCCOCCBr 12226 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.6 CCC#CCCO F11743 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.6 CCCC#CCO D90881 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 CCCC=CC=O D78252 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.6 CCCNCCC D89745 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.6 CCCNCCO C10761 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.6 CCCOCCCl H10822 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.6 CCC\C=C\CO D78301 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.6 CCNCCCN D82016 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.6 CCNCCCO 31655 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.6 CCNCCOC H11999 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.6 CC\C=C/CCO 73722 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 COCOCOC 75328 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 ICCOCCI C90294 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.6 NCCOCCN 75244 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 NCCOCCN 75301 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.6 NCCOCCO C70233 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 OCCOCCBr S10705 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 OCCOCCCl D72518 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.1 C#CCCC(=O)OCC 90044 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.1 C=CCCC(=O)OCC H10612 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.1 C=CCOC(=O)CC#N D74895 [0,1,0,0,0,0|0,0,3]=4 132 B8R0.1 CCC#CC(=O)OCC AB21618 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.1 CCOC(=O)CCCBr F11167 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.1 CCOC(=O)CCCI 74907 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.1 CCOC(=O)CCCN 20516 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.1 CCOC(=O)CCNC 30981 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.1 CCOC(=O)CCOC D91424 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.1 CCOC(=O)CCSC D90571 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.1 CCOC(=O)NCCCl 61494 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.1 CCOC(=O)\C=C\CBr 12202 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.1 CCOCC(=O)OCC D81905 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.3 CCOC(=O)C(=O)CBr 23027 [0,1,0,0,0,0|3,0,0]=4 146 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.3 CCOC(=O)C(=O)NC W11374 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [0,1,0,0,0,0|3,0,0]=4 149 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.6 C#CCCCC(=O)OC C90747 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.6 C=CC(=O)CCCCC D71008 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.6 C=CC(=O)NCCCC D82024 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.6 C=CC(=O)OCCC#N D83890 [0,1,0,0,0,0|0,0,3]=4 155 B8R0.6 C=CCCCC(=O)OC H11902 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.6 CCCCNC(=O)CC D88679 [0,1,0,0,0,0|1,0,0]=2 158 B8R0.6 CCCCNC(=O)CCl 23765 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.6 CCCCOC(=O)CN F52077 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.6 CCCCOC(=O)CO D70201 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.6 CCC\C=C\C(=O)OC 28979 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.6 CCC\C=C\C(=O)OC AC7684 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.6 CCNCCC(=O)OC 31591 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.6 CC\C=C\CC(=O)OC D93382 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.6 CNCCCC(=O)OC AB9747 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.6 COC(=O)CCCC#N 32622 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.6 COC(=O)CCCCBr 76669 [0,1,0,0,0,0|2,0,0]=3 168 B8R0.6 COC(=O)CCCCCl D75917 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.6 COC(=O)CCCCN 76218 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.6 COC(=O)COCCCl 39408 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.6 COCCCC(=O)OC F14920 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.8 C=C(C)C(=O)NCCO A51143 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.8 C=C(C)C(=O)OCCN 77919 [0,1,0,0,0,0|1,0,1]=3 174 B8R0.8 C=C(C)C(=O)OCCO D70640 [0,1,0,0,0,0|1,0,1]=3 175 B8R0.8 CC(C)C(=O)NCCN D86303 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.8 CCCCC(=O)C(C)C D91376 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.9 CC(C)CNC(=O)CCl F20035 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.9 CCC(=O)NCC(C)C AC2518 [0,1,0,0,0,0|1,0,0]=2 182 B8R0.9 COC(=O)CCC(C)=O H11992 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.9 COC(=O)CCN(C)C 32618 [0,1,0,0,0,0|3,0,0]=4 184 B8R0.11 CCCCN(CC)CC D94767 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.11 CCCC[C@H](CC)CBr D77662 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.11 CCCC[C@H](CC)CCl D89423 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.11 CCCC[C@H](CC)CN D90440 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.11 CCCC[C@H](CC)CO D72516 [0,1,0,0,0,0|1,0,2]=4 189 B8R0.11 CCCC[C@H](CC)CS D90586 [0,1,0,0,0,0|1,1,1]=4 190 B8R0.19 CCC(=O)CC(=O)CC O11824 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.19 CCC(=O)CC(=O)OC AC7866 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.19 COC(=O)OC(=O)OC D95912 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.1 C=C[C@@H]1COC(=O)O1 D92787 [0,0,0,1,0,0|1,0,2]=4 194 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,0,0,1,0,0|0,0,0]=1 195 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.1 O=C1CC[C@H](CO)N1 65450 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.1 O=C1CC[C@H](CO)N1 65451 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.1 O=C1CC[C@H](CO)N1 78078 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.1 O=C1NC[C@H](CCl)O1 74052 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.1 O=C1NC[C@H](CCl)O1 D78281 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.1 O=C1NC[C@H](CO)O1 30493 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.2 N#CC1=CCCCO1 29055 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.2 NC[C@H]1CCCCO1 29695 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.3 CC1=NNC(=O)CC1 20181 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.3 CC1CCC(=O)CC1 P20542 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.3 CN1CCC(=O)CC1 67677 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.3 NC1CCC(=O)CC1 24439 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.3 O=C1CCC(=O)CC1 F11265 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.3 O=C1CCC(O)CC1 24546 [0,0,0,1,0,0|2,0,0]=3 222 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.3 O=C1COC(=O)CO1 F20408 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.5 CC1=NCCCN1C 67669 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.5 CN1CCCNC1=O F13277 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.5 CN1CCNCC1=O 26900 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.5 CN1CCNCC1=O 37505 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,0,0,1,0,0|1,0,0]=2 235 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,0,0,1,0,0|2,0,0]=3 238 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.5 O=C1CCCCC1=O 57324 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.10 CCCOC1CNC1 28518 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,1,0,0|1,0,1]=3 251 B8R1.22 O=C1CCCCCN1 D70254 [0,0,0,1,0,0|1,0,0]=2 252 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,1,0,0|0,0,0]=1 253 B8R1.22 O=C1CCCNCC1 VT1100 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.22 O=C1CCNCCN1 23498 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.22 O=C1CCOCCN1 F13212 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.22 O=C1CCSCCN1 W16383 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.22 O=C1CNCCCN1 71619 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.22 O=C1CNCCCN1 86465 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,1,0,0|1,0,2]=4 260 B8R1.38 COC(=O)C1CCC1 TD1247 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.38 COC(=O)C1CNC1 27444 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.38 NNC(=O)C1CCC1 P10255 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.38 O=C(CBr)C1CCC1 P18349 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.38 O=C(CCl)N1CCC1 71566 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.40 NCC(=O)NC1CC1 AB1061 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.40 O=C(CCl)NC1CC1 F19977 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.50 CC1=C(O)COC1=O 71338 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.50 CC1C(=O)CCC1=O P10004 [0,0,0,1,0,0|2,0,1]=4 271 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [0,0,0,1,0,0|2,0,0]=3 273 B8R1.50 O=C1COC(=O)[C@H]1Cl D89461 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.50 O=C1OC[C@H](O)[C@@H]1O S11960 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.52 CCC1(O)CCCC1 AC8353 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.52 CC[N+]1(C)CCCC1 D90580 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.52 CC[N+]1(C)CCCC1 RB3140 [0,0,0,1,0,0|3,0,0]=4 278 B5R0.1 C=C(C)CCBr 80247 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.1 C=C(C)OCC 78535 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.1 CC(=O)CC#N 88909 [2,0,0,0,0,0|1,0,1]=4 281 B5R0.1 CC(=O)CCCl F20480 [2,0,0,0,0,0|1,0,0]=3 282 B5R0.1 CC(=O)CCO 55787 [2,0,0,0,0,0|1,0,0]=3 283 B5R0.1 CC(=O)NCO FD10622 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.1 CC(=O)OCBr A12670 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.1 CC(=O)OCCl D78132 [2,0,0,0,0,0|1,0,0]=3 286 B5R0.1 CCCC(=N)N W10324 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.1 CCCC(=O)[O-] D84277 [2,0,0,0,0,0|1,0,0]=3 288 B5R0.1 CCCC(N)=O D70204 [2,0,0,0,0,0|1,0,0]=3 289 B5R0.1 CCC[C@H](C)N 28967 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.1 CCC[C@H](C)O RB3003 [2,0,0,0,0,0|0,0,2]=4 291 B5R0.1 CCC[C@H](C)O T72186 [2,0,0,0,0,0|0,0,2]=4 292 B5R0.1 CCC[N+](=O)[O-] D97683 [2,0,0,0,0,0|2,0,0]=4 293 B5R0.1 CCNC(C)=O AC2513 [2,0,0,0,0,0|1,0,0]=3 294 B5R0.1 CCNC(N)=O D95291 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.1 CCOC(=S)[S-] D78138 [2,0,0,0,0,0|1,1,0]=4 296 B5R0.1 CCOC(=S)[S-] D90455 [2,0,0,0,0,0|1,1,0]=4 297 B5R0.1 CCOC(C)=N D70134 [2,0,0,0,0,0|1,0,0]=3 298 B5R0.1 CCOC(N)=O F21294 [2,0,0,0,0,0|1,0,0]=3 299 B5R0.1 CCO[SiH](C)C I11477 [2,0,0,0,0,0|1,1,0]=4 300 B5R0.1 CCSC(C)=O H11301 [2,0,0,0,0,0|0,1,0]=3 301 B5R0.1 CNCC(=O)O 73735 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.1 CNCC(=O)O AC7804 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.1 CNCC(N)=O A11560 [2,0,0,0,0,0|2,0,0]=4 304 B5R0.1 COCC(=O)Cl D78222 [2,0,0,0,0,0|2,0,0]=4 305 B5R0.1 COCC(=O)O D77874 [2,0,0,0,0,0|2,0,0]=4 306 B5R0.1 COCC(C)=O D91400 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.1 COCC(N)=O F20983 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.1 CSCC(=O)O F15988 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.1 CSCC(N)=O 23231 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 CSC[S@](C)=O 63104 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.1 C\C=C\C(C)=O F17125 [2,0,0,0,0,0|0,0,2]=4 312 B5R0.1 NC(=O)CCBr C16124 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.1 NCCC(N)=O F13534 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.1 O=C(Cl)CCBr D88890 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.1 O=C(Cl)OCCl H11933 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 O=C(O)CCBr P17146 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.1 O=C(O)CCF 71324 [2,0,0,0,0,0|2,0,0]=4 318 B5R0.1 O=C(O)CCI D91073 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.1 O=C(O)CCO 77998 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 O=C(O)CCS AT21041 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.2 C=COCCO D78209 [2,0,0,0,0,0|1,0,1]=4 322 B5R0.2 CCCNCC F21346 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.2 CCNCCN AB11316 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.2 CCNCCO 20098 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.2 CCOCCCl 29431 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.2 CCSCCCl D89330 [2,0,0,0,0,0|1,1,0]=4 327 B5R0.2 CCSSCC D89662 [2,0,0,0,0,0|1,1,0]=4 328 B5R0.2 CC\C=C\C=O 11553 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|0,0,1]=3 330 B5R0.2 ClCCOCCl 29087 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.2 N#CCOC=O D95257 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.3 C#CC(=O)OC P17723 [2,0,0,0,0,0|0,0,2]=4 333 B5R0.3 CCC(=O)CBr F10475 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.3 CCC(=O)CO C75383 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.3 CCC(=O)NC D91338 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.3 CCC(=O)NN 20641 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.3 CCC(Br)CC H11324 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.3 CCC(N)CC S12161 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.3 CCN(C)CC D97580 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.3 CCS(=O)CC D81870 [2,0,0,0,0,0|1,0,0]=3 341 B5R0.3 CNC(=O)CBr H10939 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.3 CNC(=O)CCl 28994 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.3 CNC(=O)CN AC1534 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.3 CNC(=O)CN FD21644 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.3 CNC(=O)NC P17517 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.3 CNC(=O)OC 29564 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.3 COC(=O)CN 20047 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.3 COC(=O)CO 39413 [2,0,0,0,0,0|1,0,0]=3 349 B5R0.3 COC(=O)NN P17509 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.3 COC(=O)SCl D91417 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.3 CSC(=O)SC D89996 [2,0,0,0,0,0|1,1,0]=4 352 B5R0.3 O=C(CBr)CBr 60498 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.3 O=C(CCl)CCl 73299 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.3 O=C(CO)CO S12381 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.2 CC(C)NC(=O)CCl AC1584 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.2 CC(C)OC(=O)CO 77517 [1,1,0,0,0,0|1,0,0]=3 357 B7R0.2 CCC(=O)CC(C)=O 24687 [1,1,0,0,0,0|0,0,1]=3 358 B7R0.2 CCC(=O)CC(C)C D90471 [1,1,0,0,0,0|0,0,0]=2 359 B7R0.2 CCC(=O)OC(C)=O 27049 [1,1,0,0,0,0|0,0,1]=3 360 B7R0.2 CCC(C)CC(C)N 40016 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.2 CCC(C)CC(C)N D88161 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.2 COC(=O)CC(C)=O D70329 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.2 COC(=O)CC(C)C 79108 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.2 COC(=O)CN(C)C H10578 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.2 COC(=O)C[C@H](C)Br O11908 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.2 COC(=O)C[C@H](C)N 75000 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.2 COC(=O)C[C@H](C)N 75001 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.2 COC(=O)C[C@H](C)N F14792 [1,1,0,0,0,0|1,0,0]=3 369 B7R0.2 COC(=O)C[C@H](C)O AC7720 [1,1,0,0,0,0|1,0,0]=3 370 B7R0.2 COC(=O)C[C@H](C)O C14861 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.2 COC(=O)C[C@H](C)O F15447 [1,1,0,0,0,0|1,0,0]=3 372 B7R0.5 C=C(Br)C(=O)OCC AB9222 [1,1,0,0,0,0|0,0,2]=4 373 B7R0.5 CC(C)C(=O)CC#N 28992 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.5 CC(C)C(=O)OCBr D94295 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.5 CC(C)C(=O)OCCl P11842 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.5 CCCC(=O)C(C)C D91358 [1,1,0,0,0,0|0,0,0]=2 377 B7R0.5 CCOC(=O)C(=O)O C75898 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [1,1,0,0,0,0|1,0,1]=4 379 B7R0.5 CCOC(=O)C(C)=O D72526 [1,1,0,0,0,0|0,0,1]=3 380 B7R0.5 CCOC(=O)C(F)F FD2077 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.5 CCOC(=O)C(N)=O C13633 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.5 CCOC(=O)C(N)=S 35744 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.5 CCOC(=O)N(C)C A10839 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [1,1,0,0,0,0|1,0,0]=3 385 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [1,1,0,0,0,0|0,0,0]=2 387 B7R0.5 CCOC(=O)[C@H](C)F 28664 [1,1,0,0,0,0|0,0,0]=2 388 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [1,1,0,0,0,0|0,0,0]=2 389 B7R0.5 CCOC(=O)[C@H](C)I D90599 [1,1,0,0,0,0|0,0,0]=2 390 B7R0.5 CCOC(=O)[C@H](C)N 75100 [1,1,0,0,0,0|0,0,0]=2 391 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [1,1,0,0,0,0|0,0,0]=2 392 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [1,1,0,0,0,0|0,0,0]=2 393 B7R0.5 CCOC(=O)[C@H](C)O 35087 [1,1,0,0,0,0|0,0,0]=2 394 B7R0.5 CCOC(=O)[C@H](C)S D81899 [1,1,0,0,0,0|0,0,0]=2 395 B7R0.5 CNCC(=O)N(C)C C77998 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.7 C=CCC(=O)OCC 74919 [1,1,0,0,0,0|0,0,1]=3 397 B7R0.7 CC#CC(=O)OCC 33793 [1,1,0,0,0,0|0,0,1]=3 398 B7R0.7 CCCC(=O)OCCl F20378 [1,1,0,0,0,0|1,0,0]=3 399 B7R0.7 CCCC(N)CCC 28065 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.7 CCCC(O)CCC H10221 [1,1,0,0,0,0|0,0,2]=4 401 B7R0.7 CCCN(C)CCC D95729 [1,1,0,0,0,0|2,0,0]=4 402 B7R0.7 CCC[C@H](C)CCO T71716 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.7 CCC[C@H](S)CCO D84193 [1,1,0,0,0,0|0,1,1]=4 404 B7R0.7 CCNC(=O)CC#N S10551 [1,1,0,0,0,0|1,0,1]=4 405 B7R0.7 CCNC(=O)NCC F11262 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.7 CCOC(=O)CCBr F11254 [1,1,0,0,0,0|0,0,0]=2 407 B7R0.7 CCOC(=O)CCCl D89381 [1,1,0,0,0,0|0,0,0]=2 408 B7R0.7 CCOC(=O)CCI 23721 [1,1,0,0,0,0|0,0,0]=2 409 B7R0.7 CCOC(=O)CCN AC7506 [1,1,0,0,0,0|0,0,0]=2 410 B7R0.7 CCOC(=O)CCO 30936 [1,1,0,0,0,0|0,0,0]=2 411 B7R0.7 CCOC(=O)CCS D87716 [1,1,0,0,0,0|0,0,0]=2 412 B7R0.7 CCOC(=O)CNC 73271 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.7 CCOC(=O)CNN 35068 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.7 CCOC(=O)COC F11239 [1,1,0,0,0,0|0,0,0]=2 415 B7R0.7 CCOC(=O)CSC I10203 [1,1,0,0,0,0|0,0,0]=2 416 B7R0.7 CCOC(=O)OCC D97668 [1,1,0,0,0,0|0,0,0]=2 417 B7R0.7 CCOC(=O)OCCl 23781 [1,1,0,0,0,0|1,0,0]=3 418 B7R0.7 CCOC(=O)\C=C/Br T70763 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.7 CCOC(=O)\C=C/I D81841 [1,1,0,0,0,0|0,0,2]=4 420 B7R0.7 CCOC(=O)\C=C\I 72163 [1,1,0,0,0,0|0,0,2]=4 421 B7R0.7 CCOC(=O)\C=C\[O-] P20682 [1,1,0,0,0,0|0,0,2]=4 422 B7R0.7 CCOP(Cl)OCC H10781 [1,1,0,0,0,0|2,0,0]=4 423 B7R0.7 CCO[PH](=O)OCC 28436 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.7 O=C(CCCl)CCCl 35039 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [1,1,0,0,0,0|0,0,1]=3 426 B7R0.10 CCC(=O)C(=O)CC D90906 [1,1,0,0,0,0|0,0,1]=3 427 B7R0.10 CCC(=O)C(=O)OC F16310 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.10 CCC(=O)N(C)OC AR3350 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [1,1,0,0,0,0|0,0,0]=2 430 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.10 CC[C@H](N)C(=O)OC 63264 [1,1,0,0,0,0|1,0,0]=3 432 B7R0.10 CC[C@H](N)C(=O)OC F11947 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.10 CC[C@H](N)C(=O)OC H10859 [1,1,0,0,0,0|1,0,0]=3 434 B7R0.10 CC[C@H](O)C(=O)OC D94650 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.10 COC(=O)[C@@H](Br)CBr AB2902 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.10 COC(=O)[C@@H](C)CBr D70325 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.10 COC(=O)[C@@H](C)CN E72583 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.10 COC(=O)[C@@H](C)CO F12962 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.10 COC(=O)[C@@H](F)CO 36756 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.10 COC(=O)[C@@H](N)CCl FD3091 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.10 COC(=O)[C@@H](N)CCl O11861 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.10 COC(=O)[C@@H](N)CN D83300 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.10 COC(=O)[C@@H](N)CO 20054 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.10 COC(=O)[C@@H](N)CO 20056 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.10 COC(=O)[C@@H](N)CO 39397 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.10 COC(=O)[C@@H](N)CS 27842 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.10 COC(=O)[C@@H](N)CS H10905 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.10 COC(=O)[C@@H](O)CO 24991 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.10 COC(=O)[C@H](C)OC AT18834 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.11 CCS(=O)(=O)CCCl 71330 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.4 C=CCCOC(C)=O 74074 [1,1,0,0,0,0|0,0,1]=3 458 B7R0.4 CC(=O)CCCC#N D91224 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.4 CC(=O)CCCCCl D89394 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.4 CC(=O)OCCCCl 22019 [1,1,0,0,0,0|0,0,0]=2 461 B7R0.4 CC(=O)SCCCO D86667 [1,1,0,0,0,0|0,1,0]=3 462 B7R0.4 CCCCCC(=O)[O-] D82015 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.4 CCCCCC(N)=O D89187 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.4 CCCCNC(N)=O D88864 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.4 CCCCOC(=S)[S-] D82014 [1,1,0,0,0,0|1,1,0]=4 466 B7R0.4 CCCCOC(C)C D93400 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.4 CCCCOC(N)=O D89279 [1,1,0,0,0,0|1,0,0]=3 468 B7R0.4 CCCCSC(C)=O 79049 [1,1,0,0,0,0|0,1,0]=3 469 B7R0.4 CCC\C=C\C(=O)O C10700 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.4 CCC\C=C\C(C)=O F17581 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.4 CNCCCC(=O)O 20515 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.4 CNCCCC(=O)O AB7427 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.4 NC(=O)COCCCl F15040 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.4 NCCCCC(=O)O 76219 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.4 NCCCCC(=O)O D78140 [1,1,0,0,0,0|2,0,0]=4 476 B7R0.4 NCCOCC(=O)O AT23391 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.4 O=C(Cl)CCCCBr H11319 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.4 O=C(Cl)CCCCCl D89459 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.4 O=C(Cl)OCCCCl D89474 [1,1,0,0,0,0|1,0,0]=3 480 B7R0.4 O=C(O)CCCCBr 76255 [1,1,0,0,0,0|2,0,0]=4 481 B7R0.4 O=C(O)CCCCCl C10667 [1,1,0,0,0,0|2,0,0]=4 482 B7R0.4 O=C(O)COCCCl 29961 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.4 O=C([O-])CCCCO F13839 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.6 C=C(C)COC(C)=O D88456 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.6 CC(=O)CCC(C)=O D71099 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.6 CC(=O)CCN(C)C D82201 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.6 CC(=O)CNC(C)=O 83215 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.6 CC(=O)OCC(=O)Cl S12356 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.6 CC(=O)OCC(=O)O D81772 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.6 CC(=O)OCC(F)F F20444 [1,1,0,0,0,0|1,0,0]=3 491 B7R0.6 CC(C)CCC(=O)O 28835 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.6 CC(C)COC(=S)[S-] D97186 [1,1,0,0,0,0|1,1,0]=4 493 B7R0.8 CCCOC(C)(C)C S11895 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.8 CCCOS(C)(=O)=O D92166 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.8 CS(=O)(=O)OCCCl H11355 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.1 CCCCCCCBr D78084 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.1 CCCCCCCI D70828 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.1 CCCCCCCS D90781 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.1 CCCCOCCCl D89363 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.1 COCCOCCBr AC1298 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.1 COCCOCCN F19842 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.1 COCCOCCO D78002 [1,1,0,0,0,0|1,0,1]=4 503 B9R0.5 CCCCNC(=O)CC#N D70031 [0,2,0,0,0,0|1,0,1]=4 504 B9R0.5 CCCNCC(=O)OCC 20892 [0,2,0,0,0,0|1,0,0]=3 505 B9R0.5 CCC\C=C\C(=O)OCC D90567 [0,2,0,0,0,0|1,0,0]=3 506 B9R0.5 CCOC(=O)CCCCBr 78992 [0,2,0,0,0,0|1,0,0]=3 507 B9R0.5 CCOC(=O)COCCCl 30785 [0,2,0,0,0,0|1,0,0]=3 508 B9R0.5 CCOC=CC(=O)OCC CL4510 [0,2,0,0,0,0|1,0,1]=4 509 B9R0.5 CCO\C=C\C(=O)OCC F11937 [0,2,0,0,0,0|1,0,1]=4 510 B9R0.8 CCCC[C@H](Br)C(=O)OC F20310 [0,2,0,0,0,0|2,0,0]=4 511 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [0,2,0,0,0,0|2,0,0]=4 512 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [0,2,0,0,0,0|0,0,0]=2 514 B9R0.8 COC(=O)[C@@H](Br)CCCBr O11857 [0,2,0,0,0,0|2,0,0]=4 515 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [0,2,0,0,0,0|2,0,0]=4 516 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [0,2,0,0,0,0|2,0,0]=4 517 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [0,2,0,0,0,0|2,0,0]=4 518 B9R0.18 C=CCOC(=O)NCCN I11289 [0,2,0,0,0,0|0,0,2]=4 519 B9R0.18 CCCNC(=O)NCCC W13743 [0,2,0,0,0,0|1,0,0]=3 520 B9R0.18 O=C(CCCCl)CCCCl O10356 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.18 O=C(NCCO)NCCO D94860 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.34 CCOC(=O)CC(=O)CC 28527 [0,2,0,0,0,0|1,0,1]=4 524 B9R0.34 CCOC(=O)C[C@H](O)CCl 23033 [0,2,0,0,0,0|2,0,0]=4 525 B9R0.34 CCOC(=O)C[C@H](O)CCl 23075 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.35 CCCC(=O)C(=O)OCC 34423 [0,2,0,0,0,0|1,0,0]=3 527 B9R0.35 CCCC(=O)[C@@H](O)CCC D88723 [0,2,0,0,0,0|1,0,0]=3 528 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [0,2,0,0,0,0|1,0,0]=3 529 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [0,2,0,0,0,0|1,0,0]=3 530 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [0,2,0,0,0,0|1,0,0]=3 531 B9R0.35 CCOC(=N)C(=O)OCC 36102 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.35 CCOC(=O)[C@@H](Br)CCBr AB1432 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,2,0,0,0,0|1,0,1]=4 535 B9R0.48 CCOC(=O)CCC(C)C D81903 [0,2,0,0,0,0|1,0,0]=3 536 B9R0.6 CCOC(=O)C(=O)C(C)C 76551 [0,2,0,0,0,0|2,0,0]=4 537 B9R0.23 CC(C)C[C@H](N)C(=O)CCl FD21939 [0,2,0,0,0,0|2,0,0]=4 538 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 35938 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21898 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD3053 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.23 COC(=O)[C@@H](O)CC(C)C D80572 [0,2,0,0,0,0|2,0,0]=4 542 B9R0.27 CCC(=O)C(C)C(=O)CC A11220 [0,2,0,0,0,0|1,0,1]=4 543 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC FD21803 [0,2,0,0,0,0|2,0,0]=4 544 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,2,0,0,0,0|2,0,0]=4 545 B9R0.1 C=CC(=O)OCCN(C)C D78266 [0,2,0,0,0,0|0,0,2]=4 546 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,2,0,0,0,0|2,0,0]=4 547 B9R0.1 COC(=O)\C=C\CC(C)C W11675 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.24 CCC(=O)CCC(=O)OC D92982 [0,2,0,0,0,0|1,0,1]=4 549 B9R0.24 O=C(CCl)NC[C@H](O)CO AB8869 [0,2,0,0,0,0|2,0,0]=4 550 B9R0.46 CCCCCCC(=O)OC D90782 [0,2,0,0,0,0|2,0,0]=4 551 B9R0.46 COC(=O)CCCCC=O C76096 [0,2,0,0,0,0|2,0,0]=4 552 B9R0.46 COC(=O)CCCCCBr AC7709 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.46 COC(=O)CCCCCN 24451 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.46 COC(=O)CCCCCO D97618 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.47 C=C(C)C(=O)NCCCN 35820 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.47 C=C(F)C(=O)OCCCC D83944 [0,2,0,0,0,0|0,0,2]=4 557 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [0,2,0,0,0,0|0,0,0]=2 558 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [0,2,0,0,0,0|0,0,0]=2 559 B9R0.3 CC(C)(Br)C(=O)OCCO D97663 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.7 C=C(C)C(=O)NC[C@H](C)O D94852 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.13 CCCCC(CC)C(=O)[O-] AC8589 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.13 CCCCC(CC)C(=O)[O-] D95682 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.13 CCCCC(CC)C(=O)[O-] H11235 [0,2,0,0,0,0|1,0,1]=4 564 B9R0.13 CCCC[C@H](CC)C(=O)[O-] 58586 [0,2,0,0,0,0|1,0,1]=4 565 B9R0.13 CCCC[C@H](CC)C(=O)[O-] A51068 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C 25803 [0,2,0,0,0,0|0,0,0]=2 567 B9R0.42 COC(=O)C[C@H](N)C(C)C 75003 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.42 COC(=O)C[C@H](N)C(C)C 75004 [0,2,0,0,0,0|2,0,0]=4 569 B7R1.1 CCN1CCCC1 F17079 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.1 COC1=NCCC1 O11464 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.2 CC1=CC(=O)CC1 H10654 [1,0,0,1,0,0|0,0,2]=4 572 B7R1.2 CC1COS(=O)O1 D91602 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [1,0,0,1,0,0|1,0,0]=3 574 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [1,0,0,1,0,0|0,0,0]=2 575 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [1,0,0,1,0,0|1,0,0]=3 576 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [1,0,0,1,0,0|0,0,0]=2 577 B7R1.2 C[C@H]1COC(=O)O1 28658 [1,0,0,1,0,0|1,0,0]=3 578 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [1,0,0,1,0,0|2,0,0]=4 580 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.2 O=C1CCC(=O)C1 23085 [1,0,0,1,0,0|1,0,1]=4 582 B7R1.2 O=C1CCC(=O)O1 D78120 [1,0,0,1,0,0|1,0,1]=4 583 B7R1.2 O=C1C[C@H](O)CN1 26280 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.2 O=C1C[C@H](O)CN1 62393 [1,0,0,1,0,0|2,0,0]=4 585 B7R1.2 O=C1C[C@H](O)CN1 62394 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.2 O=C1C[C@H](O)CO1 H11711 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [1,0,0,1,0,0|2,0,0]=4 588 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.3 BrC1=CCCCC1 N12373 [1,0,0,1,0,0|1,0,1]=4 590 B7R1.3 BrC1CCCCC1 P19773 [1,0,0,1,0,0|1,0,1]=4 591 B7R1.3 CC1=CCCCC1 H10759 [1,0,0,1,0,0|1,0,1]=4 592 B7R1.3 IC1CCCCC1 F20359 [1,0,0,1,0,0|1,0,1]=4 593 B7R1.3 NN1CCCCC1 77856 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.3 NN1CCCCC1 78303 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.3 O=C1C=CCCO1 71011 [1,0,0,1,0,0|0,0,2]=4 596 B7R1.3 O=C1CCCCN1 F10312 [1,0,0,1,0,0|1,0,0]=3 597 B7R1.3 O=C1CCCCO1 20506 [1,0,0,1,0,0|0,0,0]=2 598 B7R1.3 O=C1CCCNC1 36189 [1,0,0,1,0,0|1,0,0]=3 599 B7R1.3 O=C1CCCNC1 65124 [1,0,0,1,0,0|1,0,0]=3 600 B7R1.3 O=C1CCCOC1 67990 [1,0,0,1,0,0|1,0,0]=3 601 B7R1.3 O=C1CCCSC1 38182 [1,0,0,1,0,0|1,0,0]=3 602 B7R1.3 O=C1CCNCC1 AB2978 [1,0,0,1,0,0|1,0,0]=3 603 B7R1.3 O=C1CCNCC1 AB7716 [1,0,0,1,0,0|1,0,0]=3 604 B7R1.3 O=C1CCOCC1 28100 [1,0,0,1,0,0|1,0,0]=3 605 B7R1.3 O=C1CCSCC1 34742 [1,0,0,1,0,0|1,0,0]=3 606 B7R1.3 O=C1CNCCN1 65258 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.3 O=C1COCCN1 35814 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.3 O=C1COCCO1 39291 [1,0,0,1,0,0|1,0,0]=3 609 B7R1.3 O=C1NCCCN1 F14817 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.3 O=C1NCCCO1 30441 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.3 O=C1OCCCO1 F20507 [1,0,0,1,0,0|1,0,0]=3 612 B7R1.3 O=S1CCNCC1 C10519 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.3 O=S1OCCCO1 D90284 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.3 ON1CCCCC1 65654 [1,0,0,1,0,0|1,0,1]=4 615 B7R1.3 O[C@@H]1CCCCO1 F19855 [1,0,0,1,0,0|0,0,2]=4 616 B7R1.4 C=C1CCOC1=O FD18014 [1,0,0,1,0,0|0,0,2]=4 617 B7R1.4 CN1CCCC1=O D78116 [1,0,0,1,0,0|1,0,0]=3 618 B7R1.4 CN1CCCC1=S F16372 [1,0,0,1,0,0|1,1,0]=4 619 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|1,0,0]=3 620 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|1,0,0]=3 621 B7R1.4 C[C@@H]1SCCC1=O AC7518 [1,0,0,1,0,0|1,0,0]=3 622 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|0,0,0]=2 623 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|0,0,0]=2 624 B7R1.4 NN1CCCC1=O 67417 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.4 N[C@H]1CCNC1=O 51275 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.4 N[C@H]1CCNC1=O F31053 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.4 N[C@H]1CCOC1=O 28853 [1,0,0,1,0,0|1,0,0]=3 628 B7R1.4 N[C@H]1CCOC1=O F14759 [1,0,0,1,0,0|1,0,0]=3 629 B7R1.4 N[C@H]1CCOC1=O FD1139 [1,0,0,1,0,0|1,0,0]=3 630 B7R1.4 N[C@H]1CCOC1=O FD1142 [1,0,0,1,0,0|1,0,0]=3 631 B7R1.4 N[C@H]1CCOC1=O W12226 [1,0,0,1,0,0|1,0,0]=3 632 B7R1.4 N[C@H]1CCSC1=O F17227 [1,0,0,1,0,0|1,1,0]=4 633 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [1,0,0,1,0,0|1,0,0]=3 634 B7R1.4 O=C1NCC[C@@H]1O 25307 [1,0,0,1,0,0|2,0,0]=4 635 B7R1.4 O=C1NCC[C@@H]1O 27245 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.4 O=C1NCC[C@@H]1O 68731 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.4 O=C1OCC[C@@H]1Br H10671 [1,0,0,1,0,0|1,0,0]=3 638 B7R1.4 O=C1OCC[C@@H]1O A12215 [1,0,0,1,0,0|1,0,0]=3 639 B7R1.4 O=C1OCC[C@@H]1O T72635 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.22 CC[C@H](N)C1CC1 P15918 [1,0,0,1,0,0|1,0,1]=4 641 B7R1.22 CC[C@H](O)C1CC1 P15300 [1,0,0,1,0,0|0,0,2]=4 642 B7R1.22 COC(=O)C1CC1 D78080 [1,0,0,1,0,0|1,0,0]=3 643 B7R1.22 COC(=O)[C@@H]1CN1 63227 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [1,0,0,1,0,0|2,0,0]=4 645 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.22 NNC(=O)C1CC1 37331 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.22 O=C(CBr)C1CC1 28934 [1,0,0,1,0,0|1,0,0]=3 649 B7R1.25 CCC1(N)CCC1 D79212 [1,0,0,1,0,0|1,0,1]=4 650 B7R1.18 CC(=O)C1CCC1 P15299 [1,0,0,1,0,0|1,0,0]=3 651 B7R1.18 O=C(Cl)C1CCC1 D87747 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.18 O=C(O)C1CCC1 59526 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.20 O=C(O)CC1CC1 CL4520 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.24 C1CNCCOC1 31105 [1,0,0,1,0,0|1,0,1]=4 655 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,1,0,1,0,0|0,0,0]=2 658 B9R1.8 BrCCC1OCCCO1 C13791 [0,1,0,1,0,0|0,0,2]=4 659 B9R1.8 NCCC1=CCCCC1 D87820 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.8 OCC[C@H]1CCCCO1 F20608 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.15 CC[C@@H]1NCCNC1=O 60848 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.15 CO[C@H]1CCCCC1=O P19682 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.15 C[C@H]1CCCC\C1=N\O D86326 [0,1,0,1,0,0|1,0,1]=4 665 B9R1.15 N#C[C@H]1CCCCC1=O W17330 [0,1,0,1,0,0|1,0,1]=4 666 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 P19126 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.27 CCC1=C(C)CNC1=O 45314 [0,1,0,1,0,0|1,0,1]=4 668 B9R1.33 CCCN1CCCC1=O 65466 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.33 NCCN1CCCC1=O 60045 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.33 NCCN1CCNC1=O H10573 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.33 O=C1CCCN1CCCl 71142 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.33 O=C1CCCN1CCO AT12426 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.33 O=C1NCCN1CCO AT18735 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.33 O=C1OCCN1CCCl W16070 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,1,0,1,0,0|1,0,1]=4 676 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,1,0,1,0,0|0,0,1]=3 677 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,1,0,1,0,0|1,0,1]=4 678 B9R1.49 CN1CCCC(=O)CC1 34283 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.49 CN1CCNC(=O)CC1 64338 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.50 O=C1CCCCCCC1 78195 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.50 O=C1CCCCCCN1 35268 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.50 O=C1CCCCCCO1 D94278 [0,1,0,1,0,0|0,0,0]=2 683 B9R1.69 CC1CCC(=O)CC1C 90794 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.69 C[C@H]1CN(C)CCC1=O 68472 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.73 CCOC(=O)C1CCC1 11047 [0,1,0,1,0,0|1,0,0]=3 687 B9R1.73 CCOC(=O)C1CNC1 60712 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.73 N#CCC(=O)C1CCC1 83493 [0,1,0,1,0,0|1,0,1]=4 689 B9R1.75 CCOC(=O)C=C1CC1 95464 [0,1,0,1,0,0|1,0,1]=4 690 B9R1.75 CCOC(=O)CC1CC1 F51522 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F CS3357 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.3 CC1C(=O)CCCC1=O F19547 [0,1,0,1,0,0|1,0,1]=4 693 B9R1.3 CN1CCCN(C)C1=O P17490 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.5 CN1CCCCCC1=O F20350 [0,1,0,1,0,0|1,0,0]=3 695 B9R1.5 CN1CCNCCC1=O Y10627 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,1,0,1,0,0|1,0,0]=3 698 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.11 COC(=O)C1=CCCC1 23248 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.11 COC(=O)C1CCCC1 71026 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [0,1,0,1,0,0|1,0,0]=3 707 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.11 O=C(CCl)N1CCCC1 71285 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.37 CC1CC(=O)C(=O)C1C D81912 [0,1,0,1,0,0|1,0,0]=3 713 B9R1.82 COC(=O)C1CC(Cl)C1 38985 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.82 COC(=O)C1CC(I)C1 P19841 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.82 COC(=O)C1CC(O)C1 87718 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 FD7143 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 38533 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 37458 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.101 COC(=O)[C@@H](N)C1CC1 F52092 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.132 CCC1=C(O)C(=O)CC1 D90570 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.186 COC(=O)C1(Br)CCC1 72356 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.186 COC(=O)C1(N)CCC1 52075 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.1 CCC1CCC(=O)CC1 N10368 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.1 CCN1CCC(=O)CC1 77862 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.1 COC1CCC(=O)CC1 23774 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.1 N#CC1CCC(=O)CC1 80206 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.1 O=C1CCC(CO)CC1 28378 [0,1,0,1,0,0|1,0,0]=3 728 B9R1.79 COC(=O)CC1CNC1 37323 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.79 NCC(=O)NC1CCC1 AB1052 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.80 C=CC(=O)OC[C@H]1CO1 D78471 [0,1,0,1,0,0|0,0,2]=4 731 B9R1.89 COC1=NCCCCC1 78135 [0,1,0,1,0,0|1,0,1]=4 732 B9R1.89 O=NN1CCCCCC1 D93582 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.89 ON=C1CCCCCC1 D89425 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.35 CC(C)[C@@H]1CNC(=O)C1 P19175 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.35 CC(C)[C@@H]1COC(=O)N1 33734 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TD8068 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.35 CC(C)[C@@H]1COC(=O)N1 W10689 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 60501 [0,1,0,1,0,0|1,0,1]=4 739 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 78331 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 86330 [0,1,0,1,0,0|1,0,1]=4 741 B9R1.40 CC1(C)CCCCC1=O 25898 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.40 CC1(C)CNCCC1=O 84109 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.40 CC1(C)CNCCC1=O FD10497 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.40 CC1(C)NCCNC1=O 37871 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.40 O=C1NCCCC1(Br)Br W10981 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.10 CC1(C)C=CC(=O)CC1 CL3492 [0,1,0,1,0,0|1,0,1]=4 747 B9R1.10 CC1(C)CCC(=O)CC1 35448 [0,1,0,1,0,0|1,0,0]=3 748 B9R1.10 CC1(C)COC(=O)OC1 F51892 [0,1,0,1,0,0|1,0,0]=3 749 B9R1.10 C[N+]1(C)CCC(=O)CC1 AB10340 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.10 O=C1CCC(F)(F)CC1 80904 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.138 CC1(C)COC(=O)C1=O C72205 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.138 CC1(C)COC(=O)[C@H]1O 30286 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.138 CC1(C)COC(=O)[C@H]1O 64980 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.138 CC1(C)COC(=O)[C@H]1O AC1149 [0,1,0,1,0,0|1,0,0]=3 755 B9R2.109 O=C1CCCC2OC12 AB10163 [0,0,0,2,0,0|2,0,0]=4