0 B8R0.7 COCCOCC(=O)O PEG2020 [1,0,0,0,0,0|3,0,0]=4 1 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N HAA8490 [0,1,0,0,0,0|1,0,0]=2 2 B10R0.96 C(CC(=O)N)[C@H](CC(=O)O)N HAA8630 [0,1,0,0,0,0|1,0,0]=2 3 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N HAA8500 [0,1,0,0,0,0|0,0,0]=1 4 B10R0.96 C(CC(=O)O)[C@H](CC(=O)O)N HAA8640 [0,1,0,0,0,0|0,0,0]=1 5 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,1,0,0,0,0|0,0,0]=1 6 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O HAA1077 [0,1,0,0,0,0|1,0,0]=2 7 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.128 C[C@@]1(CCC[C@H]1C(=O)O)N HAA2595 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N HAA2405 [0,0,0,1,0,0|2,0,1]=4 11 B8R0.28 CC(=O)NCCC(=O)N AAA1906 [0,0,0,0,1,0|3,0,0]=4 12 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [0,0,0,0,1,0|2,0,0]=3 13 B10R0.97 CC(=O)NCSCCC(=O)O RL-1166 [0,0,0,0,0,1|2,0,0]=3 14 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O AAA1970 [1,1,0,0,0,0|2,0,0]=4 15 B9R0.2 COCCOCCC(=O)O PEG1630 [1,1,0,0,0,0|1,0,1]=4 16 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [1,1,0,0,0,0|1,0,0]=3 17 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [1,1,0,0,0,0|1,0,0]=3 18 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [1,1,0,0,0,0|1,0,1]=4 19 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [1,1,0,0,0,0|1,0,1]=4 20 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.46 CNC(=O)CCCCC=O HL12136 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.46 CNC(=O)CCCCC=O HL12906 [1,1,0,0,0,0|1,0,0]=3 23 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [1,1,0,0,0,0|1,0,1]=4 24 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [1,1,0,0,0,0|1,0,1]=4 25 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [1,1,0,0,0,0|1,0,1]=4 26 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,1,0,0,1,0|1,0,0]=3 28 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,1,0,0,1,0|1,0,0]=3 29 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,1,0,0,1,0|0,0,0]=2 30 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [0,1,0,0,1,0|2,0,0]=4 31 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,1,0,0,1,0|2,0,0]=4 32 B9R0.53 C(C(CC(=O)O)N)C(=O)O HAA8480 [0,1,0,0,1,0|0,0,0]=2 33 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1068 [0,1,0,0,0,1|2,0,0]=4 34 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1069 [0,1,0,0,0,1|2,0,0]=4 35 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=O)N HAA1074 [0,1,0,0,0,1|1,0,0]=3 36 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1008 [0,1,0,0,0,1|2,0,0]=4 37 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1009 [0,1,0,0,0,1|2,0,0]=4 38 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=O)N HAA1014 [0,1,0,0,0,1|1,0,0]=3 39 B11R0.29 CC(=O)NCSC[C@@H](C(=O)O)N HAA6070 [0,1,0,0,0,1|2,0,0]=4 40 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.13 C1C[C@@H](NC1)CC(=O)O HAA8450 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.13 C1C[C@H](NC1)CC(=O)O HAA8560 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2365 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2555 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.41 CN1CCC[C@H]1C(=O)O HAA2250 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [0,0,0,1,1,0|1,0,0]=3 48 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [0,0,0,1,1,0|1,0,0]=3 49 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O AAA1931 [0,0,0,1,0,1|1,0,0]=3 50 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N AAA1938 [0,0,0,1,0,1|2,0,0]=4 51 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O AAA1939 [0,0,0,1,0,1|1,0,0]=3 52 B7R0.6 CC(=O)NCC(=O)O AAA1915 [0,0,0,0,2,0|2,0,0]=4 53 B11R0.30 C(COCC(=O)O)OCC(=O)O PEG2035 [0,0,0,0,0,2|0,0,0]=2