0 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [0,0,0,0,0,0|2,0,1]=3 1 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 C#CCCCCC(O)=O M10212111P [1,0,0,0,0,0|1,0,2]=4 3 B8R0.7 C=CCCCCC(O)=O M10027121P [1,0,0,0,0,0|1,0,0]=2 4 B8R0.7 O=C(O)CCCCCN M10196151P [1,0,0,0,0,0|2,0,1]=4 5 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [1,0,0,0,0,0|2,0,1]=4 6 B8R0.8 O=C(O)C(O)CCSC M10014771P [1,0,0,0,0,0|2,0,1]=4 7 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [1,0,0,0,0,0|1,0,1]=3 8 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [1,0,0,0,0,0|1,0,1]=3 9 B10R0.82 O=C(O)[C@@H](N)CC[C@@H](O)CN M12277882P [0,1,0,0,0,0|2,0,1]=4 10 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O M10185445P [0,1,0,0,0,0|1,0,0]=2 11 B10R0.98 O=C(O)[C@@H](N)CSCC(O)=O M10252786P [0,1,0,0,0,0|1,0,0]=2 12 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,0,1,0,0|1,0,2]=4 13 B7R0.4 O=C(O)CCCC#N M10239045P [2,0,0,0,0,0|1,0,1]=4 14 B7R0.4 O=C(O)CCCCO M10123275P [2,0,0,0,0,0|1,0,1]=4 15 B7R0.4 O=C(O)CCOCC M10062024P [2,0,0,0,0,0|0,1,1]=4 16 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [2,0,0,0,0,0|0,0,2]=4 17 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [2,0,0,0,0,0|0,0,0]=2 18 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [2,0,0,0,0,0|0,0,0]=2 19 B7R0.5 CCCC(Br)C(O)=O M10014810P [2,0,0,0,0,0|1,0,1]=4 20 B7R0.5 CCCC(C)C(O)=O M10209692P [2,0,0,0,0,0|1,0,1]=4 21 B7R0.5 O=C(O)C(Cl)COC M10045189P [2,0,0,0,0,0|1,1,0]=4 22 B7R0.5 O=C(O)C(F)CCN M10193859P [2,0,0,0,0,0|2,0,0]=4 23 B7R0.5 O=C(O)C(N)CCN M10024859P [2,0,0,0,0,0|1,0,0]=3 24 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [2,0,0,0,0,0|0,1,0]=3 25 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [2,0,0,0,0,0|0,1,0]=3 26 B7R0.5 O=C(O)[C@H](N)COC M10505436P [2,0,0,0,0,0|0,1,0]=3 27 B7R0.5 O=C(O)[C@H](N)COC M10505437P [2,0,0,0,0,0|0,1,0]=3 28 B9R0.2 C=CCCCCCC(O)=O M10156973P [1,1,0,0,0,0|1,0,0]=3 29 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [1,1,0,0,0,0|1,0,1]=4 30 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [1,1,0,0,0,0|0,0,2]=4 31 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [1,1,0,0,0,0|0,0,2]=4 32 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O M10014819P [1,1,0,0,0,0|1,0,0]=3 33 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [1,1,0,0,0,0|1,0,0]=3 34 B9R0.7 O=C(O)CC[C@H](N)C(N)=O M10017277P [1,1,0,0,0,0|2,0,0]=4 35 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O M10441835P [0,2,0,0,0,0|2,0,0]=4 36 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O M10445904P [0,2,0,0,0,0|2,0,0]=4 37 B11R0.29 N[C@@H](CCCNC(N)=O)C(O)=O M10279557P [0,2,0,0,0,0|2,0,0]=4 38 B9R1.6 O=C(C1NCCSC1)O M10168222P [1,0,0,1,0,0|1,0,1]=4 39 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [1,0,0,1,0,0|2,0,0]=4 40 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [1,0,0,1,0,0|2,0,0]=4 41 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [1,0,0,1,0,0|2,0,0]=4 42 B9R1.35 O=C([C@H]1N=C(N)SC1)O M10145903P [1,0,0,1,0,0|1,0,1]=4 43 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [1,0,0,1,0,0|2,0,0]=4 44 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [1,0,0,1,0,0|2,0,0]=4 45 B9R1.93 O=C([C@]1(N)[C@H](C=C)C1)O M10788000P [1,0,0,1,0,0|0,0,0]=2 46 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 M10025085P [0,1,0,1,0,0|2,0,0]=4 47 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 M11198955P [0,1,0,1,0,0|2,0,0]=4