0 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.2 CCOC(=O)NC(=O)CC#N C43243 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.5 CCC=CCC(=O)OCC E47083 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.5 CCCC=CC(=O)OCC E47082 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.5 CCOC(=O)CCCCBr E39295 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.5 CCOC(=O)CCCCN E46517 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCOC(=O)COCCCl E41531 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.5 CCOC=CC(=O)OCC E43814 [1,0,0,0,0,0|0,0,1]=2 11 B9R0.5 CCO\C=C\C(=O)OCC E43813 [1,0,0,0,0,0|0,0,1]=2 12 B9R0.34 CCCC(=O)CC(=O)OC M39290 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,0,0,0,0,0|0,0,0]=1 14 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.34 CCOC(=O)CC(=O)NN E40373 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.5 C#CCCC(=O)CC(=O)OCC E6254 [0,1,0,0,0,0|1,0,1]=3 20 B11R0.177 CCOC(=O)C(=O)C(=O)OCC D43741 [0,1,0,0,0,0|0,0,1]=2 21 B11R0.177 CCOC(=O)C(=O)C(=O)OCC D69011 [0,1,0,0,0,0|0,0,1]=2 22 B11R0.177 CCOC(=O)C(Br)C(=O)OCC B64497 [0,1,0,0,0,0|0,0,0]=1 23 B11R0.177 CCOC(=O)C(F)C(=O)OCC D3242 [0,1,0,0,0,0|0,0,0]=1 24 B11R0.177 CCOC(=O)C(N)C(=O)OCC D69272 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,0,0,1,0,0|1,0,1]=3 26 B11R1.199 CCOC(=O)C1CCCC1N E49570 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O X13453 [0,0,0,1,0,0|1,0,0]=2 29 B11R1.199 CCOC(=O)[C@@H]1CCOC1=O E43734 [0,0,0,1,0,0|0,0,0]=1 30 B11R1.199 CCOC(=O)[C@@H]1CNCC1=O E38847 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.199 CCOC(=O)[C@@H]1COCC1=O E43735 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.199 CCOC(=O)[C@@H]1CSCC1=O E13246 [0,0,0,1,0,0|2,0,0]=3 33 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [0,0,0,1,0,0|2,0,1]=4 34 B11R1.334 CCOC(=O)CC(=O)C1CC1 E37822 [0,0,0,1,0,0|1,0,0]=2 35 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,0,0,0,1,0|1,0,0]=2 36 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,0,0,0,1,0|2,0,1]=4 37 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,0,0,0,1,0|2,0,1]=4 38 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,0,0,0,1,0|1,0,0]=2 39 B9R0.35 CCOC(=O)C(=O)[CH-]C#N P41417 [0,0,0,0,1,0|2,0,1]=4 40 B9R0.35 CCOC(=O)C(=O)[CH-]C#N S43425 [0,0,0,0,1,0|2,0,1]=4 41 B11R0.62 CCOC(=O)C#CC(=O)OCC D69328 [0,0,0,0,0,1|0,0,1]=2 42 B11R0.62 CCOC(=O)CSC(=S)OCC E43822 [0,0,0,0,0,1|0,1,0]=2 43 B8R0.1 CCOC(=O)CCCBr B69333 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.1 CCOC(=O)CCCI E31893 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.1 CCOC(=O)CCCN E43487 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.1 CCOC(=O)CCNC E41584 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.1 CCOC(=O)CCSC E39202 [2,0,0,0,0,0|0,1,1]=4 48 B8R0.1 CCOC(=O)\C=C\CBr E43399 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.1 CCOCC(=O)OCC E41554 [2,0,0,0,0,0|0,0,0]=2 50 B8R0.6 CCCC=CC(=O)OC M43802 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [2,0,0,0,0,0|0,0,1]=3 52 B8R0.5 CCOC(=O)CC(N)=O E38643 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.5 CCOC(=O)CC(N)=S E6802 [2,0,0,0,0,0|1,1,0]=4 54 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [2,0,0,0,0,0|0,0,2]=4 55 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.19 CCC(=O)CC(=O)CC H43801 [2,0,0,0,0,0|0,0,0]=2 58 B8R0.19 CCC(=O)CC(=O)OC M39036 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.19 COC(=O)CC(=O)CCl M61620 [2,0,0,0,0,0|1,0,0]=3 61 B8R0.19 COC(=O)CC(=O)OC D60836 [2,0,0,0,0,0|0,0,0]=2 62 B8R0.19 COC(=O)\C=C(/C)OC M5601 [2,0,0,0,0,0|1,0,1]=4 63 B10R0.1 CCOC(=O)CCCCCBr E39444 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.1 CCOC(=O)CCCCCO E47160 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.19 CCOC=C(C)C(=O)OCC E47098 [1,1,0,0,0,0|0,0,1]=3 66 B10R0.91 CCCCCC(=O)OCCC P50580 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.18 C#CCCC(=O)CC(=O)OC M61281 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [1,1,0,0,0,0|0,0,0]=2 70 B10R0.26 CCOC(=O)CC(=O)C(F)F E43313 [1,1,0,0,0,0|1,0,0]=3 71 B10R0.44 COC(=O)CC(=O)CC(C)=O M43730 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [1,1,0,0,0,0|1,0,0]=3 73 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC E50443 [0,1,0,0,0,1|1,0,0]=3 74 B12R0.69 CCOC(=O)C[C@@H](N)C(=O)OCC D49576 [0,1,0,0,0,1|0,0,0]=2 75 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC A37979 [0,1,0,0,0,1|0,0,0]=2 76 B12R0.69 CCOC(=O)[CH-]C(=O)C(=O)OCC S23572 [0,1,0,0,0,1|0,0,1]=3 77 B12R0.3 CC(C)CC(=O)CC(=O)CC(C)C D55089 [0,2,0,0,0,0|2,0,0]=4 78 B12R0.78 CCOC(=O)CC(=O)OC(C)(C)C B50515 [0,2,0,0,0,0|0,0,0]=2 79 B12R0.8 CC=C(C(=O)OCC)C(=O)OCC D50444 [0,2,0,0,0,0|0,0,1]=3 80 B12R0.8 CCOC(=O)C(=CN)C(=O)OCC D36839 [0,2,0,0,0,0|0,0,1]=3 81 B12R0.8 CCOC(=O)C(NC)C(=O)OCC D49577 [0,2,0,0,0,0|0,0,0]=2 82 B12R0.731 CCOC(=O)C(C)(Br)C(=O)OCC D47070 [0,2,0,0,0,0|0,0,0]=2 83 B12R0.731 CCOC(=O)C(C)(C)C(=O)OCC D50519 [0,2,0,0,0,0|0,0,0]=2 84 B12R0.731 CCOC(=O)C(C)(F)C(=O)OCC D47071 [0,2,0,0,0,0|0,0,0]=2 85 B12R0.731 CCOC(=O)C(F)(F)C(=O)OCC D0625 [0,2,0,0,0,0|0,0,0]=2 86 B12R0.22 CCOC(=O)CC(OCC)OCC E8163 [0,2,0,0,0,0|0,0,2]=4 87 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.134 COC(=O)CC(=O)C1CC1 C12469 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.149 COC(=O)[C@@H]1CCCC1=O M11030 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [1,0,0,1,0,0|0,0,0]=2 94 B10R1.149 COC(=O)[C@@H]1COCC1=O M1625 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.149 COC(=O)[C@@H]1SCCC1=O M38166 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.181 CCOC(=O)CC1(N)CC1 E17522 [1,0,0,1,0,0|1,0,1]=4 97 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCO1 P22839 [0,0,0,1,0,1|2,0,0]=4 98 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 E23119 [0,0,0,1,0,1|1,0,0]=3 99 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O E50438 [0,0,0,1,0,1|1,0,0]=3 100 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [0,1,0,1,0,0|1,0,0]=3 101 B12R1.308 CCOC(=O)[C@@H]1CCNCC1=O E49554 [0,1,0,1,0,0|1,0,0]=3 102 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O E15548 [0,1,0,1,0,0|1,0,0]=3 103 B12R1.308 CCOC(=O)[C@@H]1COCCC1=O E37534 [0,1,0,1,0,0|1,0,0]=3 104 B12R1.308 CCOC(=O)[C@@H]1OCCCC1=O E17657 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.519 CCOC(=O)CC(=O)C1CCC1 E64021 [0,1,0,1,0,0|1,0,0]=3 106 B12R1.1618 CCOC(=O)CC1(C)OCCO1 E67702 [0,1,0,1,0,0|0,0,2]=4 107 B12R2.96 O=C1CCCC12CCCC2=O S60246 [0,0,0,2,0,0|2,0,0]=4 108 B8R0.3 C=C(CBr)C(=O)OCC E43400 [1,0,0,0,1,0|2,0,0]=4 109 B8R0.3 C=C(CO)C(=O)OCC E41470 [1,0,0,0,1,0|2,0,0]=4 110 B8R0.3 CCOC(=O)C(=O)CBr E15776 [1,0,0,0,1,0|1,0,0]=3 111 B8R0.3 CCOC(=O)C(=O)CBr E2491 [1,0,0,0,1,0|1,0,0]=3 112 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,0,0,0,1,0|0,0,0]=2 113 B8R0.3 CCOC(=O)C(=O)NN E36826 [1,0,0,0,1,0|2,0,0]=4 114 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,0,0,0,1,0|1,0,1]=4 115 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,0,0,0,1,0|1,0,1]=4 116 B12R0.285 CCOC(=O)CNCC(=O)OCC D39443 [0,0,0,0,0,2|0,0,0]=2