0 B12R1.127 CC(C)C[C@@H]1NC(=O)CNC1=O CDS007198 [1,0,0,0,0,0|0,0,0]=1 1 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O CDS007050 [1,0,0,0,0,0|2,0,1]=4 2 B12R0.151 CC(C)CC(NC(=O)CCl)C(=O)O S343943 [0,0,1,0,0,0|2,0,0]=3 3 B12R0.151 CC(C)CC(NC(=O)CCl)C(=O)O S343951 [0,0,1,0,0,0|2,0,0]=3 4 B11R0.85 CC(C)SCC(=O)NCC(=O)N R169986 [1,0,1,0,0,0|1,0,0]=3 5 B11R0.85 CC(C)SCC(=O)NCC(=O)O R169447 [1,0,1,0,0,0|2,0,0]=4 6 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)O S451312 [1,0,1,0,0,0|1,0,0]=3 7 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)O S789054 [1,0,1,0,0,0|1,0,0]=3 8 B11R0.32 CC(=O)NC(CC(C)C)C(=O)N S782882 [1,0,1,0,0,0|0,0,0]=2 9 B11R0.32 [C@@H](CC(C)C)(NC(=O)C)C(=O)N S776254 [1,0,1,0,0,0|0,0,0]=2 10 B11R0.160 CCCNC(CC(C)C)C(=O)O PH010416 [1,0,1,0,0,0|1,0,1]=4 11 B11R0.236 CCCC(NC(=O)CCl)C(=O)O S450839 [1,0,1,0,0,0|2,0,0]=4 12 B13R0.22 CC(C)CC(NC(=O)CCN)C(=O)O S451355 [0,1,1,0,0,0|1,0,0]=3 13 B13R0.613 [C@@H](C)(N)C(=O)N[C@@H](CC(C)C)C(=O)O S451207 [0,1,1,0,0,0|1,0,0]=3 14 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O S462527 [0,0,1,0,1,0|2,0,0]=4 15 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O CDS000759 [2,0,1,0,0,0|1,0,0]=4 16 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [2,0,1,0,0,0|1,0,0]=4 17 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [2,0,1,0,0,0|1,0,0]=4 18 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO CDS010410 [3,0,0,0,0,0|1,0,0]=4 19 B10R1.118 C[C@@H]1NC(=O)[C@H](NC1=O)C PH000837 [3,0,0,0,0,0|0,0,0]=3 20 B12R0.258 CC(C)CC(Br)C(=O)NCC(=O)O S342564 [1,1,1,0,0,0|1,0,0]=4 21 B12R0.180 CC(=O)N[C@@H](CC(C)C)C(=O)NN PH008180 [1,1,1,0,0,0|0,0,0]=3 22 B12R0.180 CNC(=O)C(CC(C)C)NC(=O)C S790583 [1,1,1,0,0,0|0,0,0]=3 23 B12R0.180 COC(=O)C(CC(C)C)NC(=O)C S765813 [1,1,1,0,0,0|1,0,0]=4 24 B12R0.180 COC(=O)C(CC(C)C)NC(=O)C T257435 [1,1,1,0,0,0|1,0,0]=4 25 B12R0.400 CCCC(NC(=O)C(C)Br)C(=O)O S342769 [1,1,1,0,0,0|1,0,0]=4 26 B12R0.400 CCCC(NC(=O)C(C)N)C(=O)O R276804 [1,1,1,0,0,0|1,0,0]=4 27 B12R0.67 CC(C)C(NC(=O)CCN)C(=O)O S781800 [0,1,1,0,1,0|1,0,0]=4 28 B12R0.67 CCOC(=O)N[C@H](C(=O)O)C(C)C RNI00174 [0,1,1,0,1,0|1,0,0]=4 29 B12R0.67 [C@@H](NC(=O)CNC)(C(=O)O)C(C)C S776564 [0,1,1,0,1,0|1,0,0]=4 30 B12R0.339 CC(N)C(=O)NC(C(=O)O)C(C)C S789062 [0,1,1,0,1,0|1,0,0]=4 31 B12R1.98 CC1NC(=O)C(N(C1=O)C)CO S276286 [2,1,0,0,0,0|1,0,0]=4 32 B12R1.857 CC(C)CC1(NC(=O)NC1=O)C PH011194 [1,1,0,0,1,0|0,0,0]=3 33 B14R0.1995 C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C T257486 [0,1,1,0,0,1|1,0,0]=4 34 B14R1.14945 O=C1NC(C(=O)NC1CCO)CCO PH010871 [1,2,0,0,0,0|1,0,0]=4 35 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O CDS005435 [1,0,1,1,0,0|1,0,0]=4 36 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O R228745 [1,0,1,1,0,0|1,0,0]=4 37 B12R2.214 O=C1NC2CCCC1NC2=O PH007886 [2,0,0,1,0,0|0,0,0]=3 38 B14R2.29376 [C@H]12CCC(=O)C(C1(C)C)(NC2=O)C S958077 [0,0,1,2,0,0|1,0,0]=4 39 B14R2.25679 CC1NC(=O)C2(CCCC2)NC1=O T134694 [1,1,0,1,0,0|0,0,0]=3 40 B14R3.7797 [C@H]12C[C@H]1CCC3C=CC2NC3=O T179213 [1,0,0,2,0,0|1,0,0]=4 41 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C S777277 [1,0,1,0,1,0|1,0,0]=4 42 B10R1.59 CC(C)C1NC(=S)NC1=O PH009420 [1,0,0,0,2,0|0,1,0]=4 43 B10R1.59 N1C(=O)NC(=O)C1C(C)C S351733 [1,0,0,0,2,0|0,0,0]=3