0 B10R0.2 CCCC(=O)CC(=O)CCC SY030040 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.2 CCCC(O)CC(=O)OCC SY048396 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.2 CCOC(=O)C=C(C)OCC SY059436 [0,0,0,0,0,0|1,0,1]=2 3 B10R0.2 CCOC(=O)NC(=O)CC#N SY011007 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.2 CCOC(=O)NC(=O)OCC SY046349 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.5 CCOC(=O)CCCCBr SY002795 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.5 CCOC(=O)COCCCl SY105048 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.5 CCOC(=O)COCCI SY272402 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.5 CCOC(=O)\C=C\CCBr SY277591 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCOC(=O)\C=C\CCO SY280169 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.5 CCO\C=C\C(=O)OCC SY225504 [1,0,0,0,0,0|0,0,1]=2 11 B9R0.5 C\C=C\C=C\C(=O)OCC SY048320 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.34 CCCC(=O)CC(=O)OC SY017840 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.34 CCOC(=O)CC(=O)CBr SY031005 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.34 CCOC(=O)CC(=O)CC SY008856 [1,0,0,0,0,0|0,0,0]=1 15 B9R0.34 CCOC(=O)CC(C)NC SY083221 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.34 CCOC(=O)C[C@H](O)CCl SY018986 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.34 CCOC(=O)\C=C(\C)NC SY016495 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.34 COCC(=O)CC(=O)OC SY009587 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.5 CCOC(=O)C[C@H](C)CCCO SY058133 [0,1,0,0,0,0|2,0,1]=4 20 B11R0.5 CCOCC(=O)CC(=O)OCC SY265039 [0,1,0,0,0,0|0,0,0]=1 21 B11R0.177 CCOC(=O)C(=O)C(=O)OCC SY005090 [0,1,0,0,0,0|0,0,1]=2 22 B11R0.177 CCOC(=O)C(N)C(=O)OCC SY004552 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.199 CCOC(=O)C1CCCC1=O SY004452 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.199 CCOC(=O)C1CCCC1O SY056771 [0,0,0,1,0,0|1,0,2]=4 25 B11R1.199 CCOC(=O)C1CCNC1=O SY029648 [0,0,0,1,0,0|1,0,0]=2 26 B11R1.199 CCOC(=O)C1COCC1=O SY046087 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N SY012378 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N SY013388 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N SY024586 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1O SY267626 [0,0,0,1,0,0|1,0,2]=4 31 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N SY024587 [0,0,0,1,0,0|2,0,1]=4 32 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N SY012380 [0,0,0,1,0,0|2,0,1]=4 33 B11R1.334 CCOC(=O)CC(=O)C1CC1 SY004603 [0,0,0,1,0,0|1,0,0]=2 34 B9R0.35 CCOC(=N)C(=O)OCC SY047515 [0,0,0,0,1,0|1,0,0]=2 35 B9R0.35 CCOC(=O)C(=O)C=[N+]=[N-] SY310752 [0,0,0,0,1,0|3,0,0]=4 36 B11R0.62 CCOC(=O)CCC(=O)OCC SY011286 [0,0,0,0,0,1|0,0,0]=1 37 B11R0.62 CCOC(=O)NN=C(C)OCC SY261738 [0,0,0,0,0,1|2,0,0]=3 38 B8R0.1 CCC#CC(=O)OCC SY045959 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.1 CCOC(=O)CCCI SY014641 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.1 CCOC(=O)CCCN SY015028 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.1 CCOC(=O)CCCO SY263197 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.1 CCOC(=O)CCNC SY019659 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.6 CCC\C=C\C(=O)OC SY015809 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.6 CCNCCC(=O)OC SY019881 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.5 CCOC(=O)CC(=N)N SY003198 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.5 CCOC(=O)CC(=O)O SY003789 [2,0,0,0,0,0|0,0,0]=2 47 B8R0.5 CCOC(=O)CC(=O)[O-] SY004359 [2,0,0,0,0,0|0,0,1]=3 48 B8R0.5 CCOC(=O)CC(C)Br SY018207 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.5 CCOC(=O)CC(N)=O SY015543 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.5 CCOC(=O)CC(N)=S SY028416 [2,0,0,0,0,0|1,1,0]=4 51 B8R0.5 CCOC(=O)C[C@@H](C)O SY017544 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.5 CCOC(=O)C[C@H](C)N SY254086 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.5 CCOC(=O)\C=C(\C)I SY056839 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.19 CCC(=O)CC(=O)OC SY007180 [2,0,0,0,0,0|0,0,0]=2 55 B8R0.19 COC(=O)OC(=O)OC SY274597 [2,0,0,0,0,0|1,0,0]=3 56 B10R0.1 CCOC(=O)CCCCCO SY116371 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.1 CCOC(=O)COCCCCl SY238334 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.19 CCOC=C(C)C(=O)OCC SY129123 [1,1,0,0,0,0|0,0,1]=3 59 B10R0.7 CCOC(=O)CS(=O)(=O)CC SY028839 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.18 C#CCCC(=O)CC(=O)OC SY103833 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.18 COCCC(=O)CC(=O)OC SY003567 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.26 CCOC(=O)CC(=O)C(F)F SY016930 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC SY039687 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC SY026343 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.32 CCOC(=O)C(=O)CC(C)=O SY005313 [0,1,0,0,1,0|1,0,1]=4 66 B12R0.69 CCOC(=O)\C=C(/[O-])C(=O)OCC SY006733 [0,1,0,0,0,1|0,0,1]=3 67 B12R0.3 CC(C)CC(=O)CC(=O)CC(C)C SY030360 [0,2,0,0,0,0|2,0,0]=4 68 B12R0.78 CCOC(=O)CC(=O)OC(C)(C)C SY004968 [0,2,0,0,0,0|0,0,0]=2 69 B12R0.8 CC=C(C(=O)OCC)C(=O)OCC SY014755 [0,2,0,0,0,0|0,0,1]=3 70 B12R0.8 CCOC(=O)C(=CN)C(=O)OCC SY047045 [0,2,0,0,0,0|0,0,1]=3 71 B12R0.8 CCOC(=O)C(=NO)C(=O)OCC SY011544 [0,2,0,0,0,0|0,0,1]=3 72 B12R0.8 CCOC(=O)C(=[N+]=[N-])C(=O)OCC SY253805 [0,2,0,0,0,0|0,0,1]=3 73 B12R0.8 CCOC(=O)C(OC)C(=O)OCC SY285602 [0,2,0,0,0,0|0,0,0]=2 74 B12R0.731 CCOC(=O)C(Br)(Br)C(=O)OCC SY060371 [0,2,0,0,0,0|0,0,0]=2 75 B12R0.731 CCOC(=O)C(C)(C)C(=O)OCC SY020091 [0,2,0,0,0,0|0,0,0]=2 76 B12R0.731 CCOC(=O)C(F)(F)C(=O)OCC SY009606 [0,2,0,0,0,0|0,0,0]=2 77 B10R1.10 CCOC1=CC(=O)CCC1 SY048535 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.11 CCOC(=O)C1CCC=N1 SY129444 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.11 CCOC(=O)C1CCNC1 SY007200 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.11 CCOC(=O)[C@@H]1CCNC1 SY010181 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.11 CCOC(=O)[C@@H]1CCNC1 SY011941 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.11 CCOC(=O)[C@H]1CCNC1 SY010179 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.137 CCOC(=O)C=C1CCC1 SY047221 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.137 CCOC(=O)CC1CCC1 SY240747 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.134 COC(=O)CC(=O)C1CC1 SY001027 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.149 COC(=O)C1CCCC1=O SY006366 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.149 COC(=O)C1CSCC1=O SY029389 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.149 COC(=O)C1SCCC1=O SY028006 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.4 CCOC1=CCCCC1=O SY260265 [0,0,0,1,1,0|2,0,0]=4 90 B12R1.17 CCOC(=O)C1CC(=O)CCO1 SY023354 [0,0,0,1,0,1|2,0,0]=4 91 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SY018889 [0,0,0,1,0,1|1,0,0]=3 92 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)N1 SY310014 [0,0,0,1,0,1|1,0,0]=3 93 B12R1.318 CCOC(=O)CC1CCCC1=O SY021678 [0,0,0,1,0,1|1,0,0]=3 94 B12R1.31 CCOC(=O)CC1=COC(C)=N1 SY223924 [0,1,0,1,0,0|1,0,1]=4 95 B12R1.521 CCOC(=O)CC(=O)CC1CC1 SY110446 [0,1,0,1,0,0|1,0,0]=3 96 B12R1.308 CCOC(=O)C1CCCCC1=O SY014901 [0,1,0,1,0,0|1,0,0]=3 97 B12R1.308 CCOC(=O)C1CCCNC1=O SY008262 [0,1,0,1,0,0|1,0,0]=3 98 B12R1.308 CCOC(=O)C1CCNCC1=O SY006124 [0,1,0,1,0,0|1,0,0]=3 99 B12R1.308 CCOC(=O)C1CNCCC1=O SY009950 [0,1,0,1,0,0|1,0,0]=3 100 B12R1.308 CCOC(=O)C1SCCCC1=O SY027988 [0,1,0,1,0,0|1,0,0]=3 101 B12R1.460 C=CCOC(=O)C1CCCC1=O SY224713 [0,1,0,1,0,0|1,0,1]=4 102 B12R1.519 CCOC(=O)CC(=O)C1CCC1 SY005174 [0,1,0,1,0,0|1,0,0]=3 103 B12R1.1589 CCOC(=O)C1=C(C)OCC1=O SY200365 [0,1,0,1,0,0|0,0,2]=4 104 B12R1.1618 CCOC(=O)CC1(C)OCCO1 SY014722 [0,1,0,1,0,0|0,0,2]=4 105 B12R1.1578 CCOC(=O)CS(=O)(=O)C1CC1 SY028843 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.203 [C@@H]12C(=O)CNC[C@@H]1COC2=O SY253858 [0,0,0,2,0,0|2,0,0]=4 107 B8R0.3 C=C(CO)C(=O)OCC SY053134 [1,0,0,0,1,0|2,0,0]=4 108 B8R0.3 C=CC(=O)C(=O)OCC SY257839 [1,0,0,0,1,0|0,0,2]=4 109 B8R0.3 CCOC(=O)C(=O)CC SY025393 [1,0,0,0,1,0|0,0,0]=2 110 B8R0.3 CCOC(=O)C(=O)NC SY123697 [1,0,0,0,1,0|1,0,0]=3 111 B8R0.3 CCOC(=O)C(=O)NN SY034737 [1,0,0,0,1,0|2,0,0]=4 112 B8R0.3 CCOC(=O)C(N)CC SY013355 [1,0,0,0,1,0|1,0,1]=4 113 B8R0.3 CCOC(=O)\C(Cl)=N\C SY225086 [1,0,0,0,1,0|2,0,0]=4 114 B12R0.285 CCOC(=O)CCCC(=O)OCC SY033431 [0,0,0,0,0,2|0,0,0]=2 115 B12R0.285 CCOC(=O)CNCC(=O)OCC SY046437 [0,0,0,0,0,2|0,0,0]=2