0 B10R0.2 CCOC(=O)\C=C(/N)OCC C10617 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.5 CCCCCC(=O)CCC D91706 [1,0,0,0,0,0|1,0,0]=2 2 B9R0.5 CCCCC[C@@H](O)CCC D91683 [1,0,0,0,0,0|1,0,1]=3 3 B9R0.34 CCCC(=O)O[C@@H](C)CC D89025 [1,0,0,0,0,0|3,0,0]=4 4 B11R0.1 CCOC(=O)C[C@@H](N)CC(C)C D86970 [0,1,0,0,0,0|1,0,0]=2 5 B11R0.1 CCOC(=O)C[C@H](C)OC(C)=O D88336 [0,1,0,0,0,0|2,0,1]=4 6 B11R0.5 CCOC(=O)CC(=O)CCOC D88169 [0,1,0,0,0,0|0,0,2]=3 7 B11R1.30 CCOC(=O)C[C@H]1CCCO1 F52125 [0,0,0,1,0,0|0,0,0]=1 8 B9R0.35 CCOC(=N)C(=O)OCC 12459 [0,0,0,0,1,0|2,0,1]=4 9 B8R0.1 CCCCC(=O)CCC T72667 [2,0,0,0,0,0|1,0,0]=3 10 B8R0.1 CCCC[C@@H](O)CCC D91820 [2,0,0,0,0,0|0,0,1]=3 11 B8R0.1 CCOC(=O)CCCCl D89301 [2,0,0,0,0,0|1,0,0]=3 12 B8R0.1 CCOC(=O)NCCO AT13708 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.1 CC\C=C\C(=O)OCC D80177 [2,0,0,0,0,0|0,0,2]=4 14 B8R0.1 C\C=C\C(=O)CCCC T72492 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.4 CCC\C=C/CCCC D91694 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.4 CCC\C=C\CCCC D91695 [2,0,0,0,0,0|1,0,1]=4 17 B8R0.4 CC\C=C/CCCCO D91845 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.6 CCCCC[C@@H](C)CC T72102 [2,0,0,0,0,0|1,0,1]=4 19 B8R0.6 CCCCOC(=O)CCl D89195 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.6 CCCCOC(=O)CF D90645 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.6 CCCSCC(=O)OC 35926 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.5 C=C(C)C[C@@H](C)CCC D89821 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.19 CCC(C)CC(O)CC D91467 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.19 CC[C@H](O)C[C@@H](O)CC D97167 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.19 COC(=O)C[C@H](O)CCl 23155 [2,0,0,0,0,0|1,0,0]=3 26 B10R0.1 C=CCCCCC(=O)OCC D86379 [1,1,0,0,0,0|0,0,1]=3 27 B10R0.1 C=CCNCCC(=O)OCC 92547 [1,1,0,0,0,0|0,0,2]=4 28 B10R0.1 CCCCCCC(=O)CCC D89875 [1,1,0,0,0,0|1,0,0]=3 29 B10R0.1 CCCCCC[C@@H](O)CCC D89845 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.19 CCOC(=O)[C@@H](N)CCSC F11024 [1,1,0,0,0,0|1,0,0]=3 31 B10R0.46 COC(=O)C[C@H](O)C(=O)OC D91271 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C FD21859 [0,1,0,0,1,0|1,0,0]=3 33 B12R0.78 CCCC(=O)CC(=O)OC(C)(C)C D78804 [0,2,0,0,0,0|0,0,2]=4 34 B10R1.10 CCC[C@H]1CCO[C@@H](C)S1 AC1065 [1,0,0,1,0,0|0,1,1]=4 35 B10R1.11 CCOC(=O)C1SCCS1 D89994 [1,0,0,1,0,0|2,0,0]=4 36 B10R1.11 CCOC(=O)[C@@H]1CCCN1 W15477 [1,0,0,1,0,0|1,0,0]=3 37 B10R1.11 CCOC(=O)[C@H]1CCOC1 70897 [1,0,0,1,0,0|1,0,0]=3 38 B10R1.27 COC(=O)C[C@H]1CCNC1 AT16117 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.149 COC(=O)C1CCCC1O S10371 [1,0,0,1,0,0|0,0,0]=2 40 B12R1.51 CCCC(=O)OC[C@H]1CCCO1 D92411 [0,0,0,1,0,1|1,0,0]=3 41 B12R1.32 CCOC(=O)CC1CCCCC1 D89353 [0,1,0,1,0,0|1,0,0]=3 42 B12R1.32 CCOC(=O)CN1CCNCC1 D85741 [0,1,0,1,0,0|2,0,0]=4 43 B12R1.32 CCOC(=O)NC1CCNCC1 AT23020 [0,1,0,1,0,0|2,0,0]=4 44 B12R1.308 CCOC(=O)C1=C(O)CCOC1 O11794 [0,1,0,1,0,0|0,0,2]=4 45 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O AB1566 [0,1,0,1,0,0|0,0,2]=4 46 B12R1.3393 CCOC(=O)[C@]1(C)CCCC1=O W17813 [0,1,0,1,0,0|0,0,2]=4 47 B8R0.3 CCCC(=O)[C@@H](C)CC D91475 [1,0,0,0,1,0|2,0,0]=4 48 B8R0.3 CCC[C@H](N)C(=O)OC C12608 [1,0,0,0,1,0|1,0,0]=3 49 B8R0.3 CCOC(=O)N(C)CC D93778 [1,0,0,0,1,0|2,0,0]=4 50 B8R0.3 CCOC(=O)[C@@H](N)CS F20749 [1,0,0,0,1,0|2,0,0]=4