0 B8R0.6 CCCCCC(=O)CC C17145 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.6 CCCCCC(=O)NC C02722 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.6 [*]SC(=O)CCCCC C05749 [0,0,0,0,0,0|1,1,2]=4 3 B8R0.6 [*]SC(=O)\C=C\CCC C05748 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.4 CCCCCC(=O)O C01585 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 CCCCCC(C)=O C08380 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.4 CCCCOC(C)=O C12304 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 CNCCCC(=O)O C15987 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 NCCCCC(=O)O C00431 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 O=C(O)CCCCO C02804 [1,0,0,0,0,0|1,0,2]=4 10 B9R0.34 [*]SC(=O)CC(=O)CCC C05746 [0,1,0,0,0,0|1,1,1]=4 11 B6R0.6 CCC\C=C\C=O C08497 [2,0,0,0,0,0|0,0,2]=4 12 B6R0.6 CC\C=C/CC=O C16310 [2,0,0,0,0,0|0,0,0]=2 13 B6R0.6 CC\C=C/CCO C08492 [2,0,0,0,0,0|0,0,1]=3 14 B6R0.6 C\C=C\C=C\C=O C19249 [2,0,0,0,0,0|0,0,2]=4 15 B6R0.1 COCC(=O)OC C14601 [2,0,0,0,0,0|1,0,0]=3 16 B6R0.1 N\C=C/C(=O)OO C20249 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.1 [*]SC(=O)CCC C05745 [2,0,0,0,0,0|1,1,0]=4 18 B6R0.1 [*]SC(=O)\C=C\C C04246 [2,0,0,0,0,0|1,1,0]=4 19 B6R0.4 CCCCC(=O)O C00803 [2,0,0,0,0,0|0,0,1]=3 20 B6R0.4 CCCCC(N)=O C01842 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.4 CCNCC(=O)O C11735 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.4 CSCCC(=O)O C08276 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 N=CNCC(=O)O C02718 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 NCCCC(=O)O C00334 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 O=C(O)CCCO C00989 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 O=C(O)CCCO C01991 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 O=C(O)CCCS C21736 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.4 O=CCCC(=O)O C00232 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.8 C\C=C\CC(=O)C(=O)O C06761 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.19 [*]SC(=O)CC(=O)OC C19673 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.5 CCCC(=O)CC(=O)O C02122 [1,1,0,0,0,0|0,0,1]=3 32 B8R0.5 CCOC(=O)CC(C)=O C03500 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.28 CC(=O)CCC=C(C)C C07287 [1,1,0,0,0,0|0,0,2]=4 34 B8R0.28 O=C(O)\C=C\CC(=O)O C02214 [1,1,0,0,0,0|1,0,1]=4 35 B10R0.59 [*]SC(=O)\C=C\CC(=O)OC C20374 [0,2,0,0,0,0|1,0,1]=4 36 B10R0.2 CCCC(=O)CC(=O)CCC C02445 [0,2,0,0,0,0|1,0,1]=4 37 B10R0.2 CCCC(=O)CC(=O)OCC C02975 [0,2,0,0,0,0|0,0,1]=3 38 B10R0.2 CCC[C@@H](O)CC(=O)OCC C03864 [0,2,0,0,0,0|0,0,2]=4 39 B10R0.2 CCC[C@H](O)CC(=O)OCC C03865 [0,2,0,0,0,0|0,0,2]=4 40 B10R0.2 CCOC(=O)OC(=O)OCC C11592 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.46 COC(=O)\C=C(/C)C(=O)OC C05126 [0,2,0,0,0,0|1,0,1]=4 42 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [1,0,0,1,0,0|0,0,2]=4 43 B8R1.7 O=C(O)C1CCC=N1 C04322 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.7 O=C(O)C1CCCN1 C16435 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 O=C(O)C1CCCS1 C11074 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.13 CC1=CCC(C(C)C)=CC1 C09900 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.15 COC(=O)C1=CCCNC1 C16821 [0,1,0,1,0,0|0,0,2]=4