0 B9R0.7 CC(C(=O)NCC(=O)O)N A121374 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.7 CC(C(=O)NCC(=O)O)N D299795 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.7 CC(C(=O)NCC(=O)O)S M106464 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.7 CC(C)C(=O)NCC(=O)O I352817 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.7 CC(S)C(=O)NCC(O)=O T408799 [0,0,0,0,0,0|0,0,2]=2 5 B9R0.7 CN(C)C(=O)CCC(=O)O N491469 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 CN(C)C(=S)SCC(=O)O S161324 [0,0,0,0,0,0|3,1,0]=4 7 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.9 C(C(=O)O)NC(=O)CCl N159827 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.9 CCC(=CCC(=O)O)C M193916 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.9 CCC(=O)CCC(=O)O O165944 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.9 CCC(C)CCC(=O)O M138303 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.9 COC(=O)CCC(=O)O M102991 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.9 NCC(=O)CCC(O)=O A409271 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(C)CCCC(=O)O M158389 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.93 CC(C(=O)NC(C)C(=O)O)N A101173 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.93 CC(C(=O)NC(C)C(=O)O)N A101620 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.93 CC(C(=O)NC(C)C(=O)O)N A113991 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.93 CC(C(=O)NC(C)C(=O)O)N D351355 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.211 C1CC1C(=O)CCC(=O)O C170865 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.211 C1CC1C(=O)NCC(=O)O C335731 [0,0,0,1,0,0|1,0,2]=4 26 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,0,0,0,1,0|1,1,1]=4 27 B8R0.23 CC(C)C(CC(=O)O)N L102509 [0,0,0,0,1,0|2,0,1]=4 28 B8R0.23 CC(C)C(CC(=O)O)N L182849 [0,0,0,0,1,0|2,0,1]=4 29 B8R0.23 CC(C)C(CC(=O)O)N R194939 [0,0,0,0,1,0|2,0,1]=4 30 B8R0.23 CC(C)C(CC(=O)O)N S193261 [0,0,0,0,1,0|2,0,1]=4 31 B10R0.96 CC(C)CC(=O)NCC(=O)O N132010 [0,0,0,0,0,1|1,0,2]=4 32 B7R0.4 CCC=CCC(=O)O H101494 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.4 CCOCCC(=O)O E156172 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.6 C(C(=O)O)N=C(N)N G156848 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.6 C(CC(=O)O)C(=O)O P111885 [2,0,0,0,0,0|1,1,0]=4 41 B7R0.6 C(CC(=O)O)C(=O)O S108852 [2,0,0,0,0,0|1,1,0]=4 42 B7R0.6 C(CC(=O)O)C(=O)O S108853 [2,0,0,0,0,0|1,1,0]=4 43 B7R0.6 C(CC(=O)O)C(=O)O S108854 [2,0,0,0,0,0|1,1,0]=4 44 B7R0.6 C(CC(=O)O)C(=O)O S108855 [2,0,0,0,0,0|1,1,0]=4 45 B7R0.6 C(CC(=O)O)C(=O)O S108856 [2,0,0,0,0,0|1,1,0]=4 46 B7R0.6 C(CC(=O)O)C(=O)O S303059 [2,0,0,0,0,0|1,1,0]=4 47 B7R0.6 C(CC(=O)O)C(=O)O S346179 [2,0,0,0,0,0|1,1,0]=4 48 B7R0.6 C(CC(=O)O)C(=O)O S420589 [2,0,0,0,0,0|1,1,0]=4 49 B7R0.6 C(CC(=O)O)C(=O)O S431423 [2,0,0,0,0,0|1,1,0]=4 50 B7R0.6 C(CC(=O)O)C(=O)O S431424 [2,0,0,0,0,0|1,1,0]=4 51 B7R0.6 C(CC(=O)O)C(=O)O S472090 [2,0,0,0,0,0|1,1,0]=4 52 B7R0.6 CC(=O)CCC(=O)O L104281 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.6 CC(=O)CCC(=O)O L278641 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.6 CC(=O)CCC(=O)O L298748 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.6 CC(=O)CCC(=O)O L421026 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.6 CC(=O)NCC(=O)O A103973 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.6 CC(=O)OCC(=O)O A167143 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.6 CC(=O)SCC(=O)O S131714 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.6 CC(=S)NCC(=O)O N159832 [2,0,0,0,0,0|0,1,1]=4 60 B9R0.48 CCOC(=O)CCC(=O)O M102994 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.79 CC(C)C(C(C(=O)O)N)O A114504 [0,1,0,0,1,0|1,0,1]=4 62 B7R0.2 C(C(CN)O)C(=O)O S469570 [1,0,0,0,1,0|1,0,1]=4 63 B7R0.2 CCC(=O)CC(=O)C H192611 [1,0,0,0,1,0|1,0,1]=4 64 B7R0.2 CCC(C)CC(=O)O M109883 [1,0,0,0,1,0|1,0,1]=4 65 B7R0.2 CCC(CC(=O)O)N A191758 [1,0,0,0,1,0|1,0,1]=4 66 B7R0.2 CCC(CC(=O)O)N I167296 [1,0,0,0,1,0|1,0,1]=4 67 B7R0.2 COC(=O)CC(=O)O M132669 [1,0,0,0,1,0|1,0,1]=4 68 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,0,0,0,2,0|1,0,1]=4 69 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,0,0,0,2,0|1,0,1]=4 70 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,0,0,0,2,0|1,0,1]=4 71 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,0,0,0,2,0|1,0,1]=4