0 B8R0.28 CC(=O)NCCC(=O)N AAA1906 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.1 CC(=O)NCCC(=O)OC AAA1908 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [0,1,0,0,0,0|0,0,0]=1 7 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.53 C(C(CC(=O)O)N)C(=O)O HAA8480 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.53 CC(C)CC(CC(=O)O)N HAA2495 [0,1,0,0,0,0|0,0,0]=1 10 B9R0.53 CC(C)CC(CC(=O)O)N HAA2685 [0,1,0,0,0,0|0,0,0]=1 11 B9R0.53 CC(C)C[C@@H](CC(=O)O)N HAA8520 [0,1,0,0,0,0|0,0,0]=1 12 B9R0.53 CC(C)C[C@H](CC(=O)O)N HAA8660 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HAA1172 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O HAA1169 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HAA1159 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O HAA1171 [0,0,0,1,0,0|2,0,0]=3 19 B7R0.6 CC(=O)NCC(=O)O AAA1915 [0,0,0,0,1,0|2,0,1]=4 20 B6R0.4 C(CC(=O)O)CN HAA1061 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.6 C(CCN)CCO FAL1003 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [1,1,0,0,0,0|0,0,2]=4 23 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [1,1,0,0,0,0|0,0,2]=4 24 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [1,1,0,0,0,0|0,0,2]=4 25 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [1,1,0,0,0,0|0,0,2]=4 26 B8R0.5 CCCC(CC(=O)O)N HAA2445 [1,1,0,0,0,0|0,0,0]=2 27 B8R0.5 CCCC(CC(=O)O)N HAA2635 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.7 COCCOCC(=O)O PEG2020 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [1,1,0,0,0,0|0,0,0]=2 33 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [1,1,0,0,0,0|0,0,0]=2 34 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.23 CC(C)C(CC(=O)O)N HAA2470 [0,1,0,0,1,0|0,0,0]=2 38 B8R0.23 CC(C)C(CC(=O)O)N HAA2660 [0,1,0,0,1,0|0,0,0]=2 39 B8R0.23 CC(C)C[C@@H](C(=O)N)N HAA6780 [0,1,0,0,1,0|1,0,0]=3 40 B8R0.23 CC(C)C[C@@H](C(=O)O)N HAA1094 [0,1,0,0,1,0|0,0,0]=2 41 B8R0.23 CC(C)C[C@H](C(=O)N)N HAA6280 [0,1,0,0,1,0|1,0,0]=3 42 B8R0.23 CC(C)C[C@H](C(=O)O)N HAA1030 [0,1,0,0,1,0|0,0,0]=2 43 B8R0.23 CC(C)[C@@H](CC(=O)O)N HAA8610 [0,1,0,0,1,0|0,0,0]=2 44 B8R0.23 CC(C)[C@H](CC(=O)O)N HAA8680 [0,1,0,0,1,0|0,0,0]=2 45 B8R0.23 CN(C)C[C@@H](C(=O)O)N HAA1690 [0,1,0,0,1,0|1,0,0]=3 46 B8R0.23 CN(C)C[C@H](C(=O)O)N HAA1695 [0,1,0,0,1,0|1,0,0]=3 47 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [0,1,0,0,1,0|1,0,0]=3 48 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,1,0,0,0,1|1,0,1]=4 49 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N HAA1236 [0,2,0,0,0,0|1,0,1]=4 50 B10R0.82 COC(=O)CC[C@H](C(=O)O)N HAA1564 [0,2,0,0,0,0|1,0,1]=4 51 B10R0.92 CC(C)(C)OC[C@@H](C(=O)O)N HAA7200 [0,2,0,0,0,0|1,0,0]=3 52 B10R0.92 CC(C)(C)OC[C@H](C(=O)O)N HAA6520 [0,2,0,0,0,0|1,0,0]=3 53 B10R0.92 CC(C)(C)SC[C@@H](C(=O)O)N HAA6150 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.92 CS(=O)(=O)CC[C@@H](C(=O)O)N HAA1165 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.92 CS(=O)(=O)CC[C@H](C(=O)O)N HAA2025 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O HAA6030 [0,2,0,0,0,0|1,0,1]=4 57 B8R1.7 C1C[C@@H](NC1)C(=O)N HAA1047 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.7 C1C[C@H](NC1)C(=O)N HAA7160 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,0,0,1,0,1|1,0,0]=3 63 B10R1.128 C[C@@]1(CCC[C@H]1C(=O)O)N HAA2595 [0,0,0,1,0,1|1,0,0]=3 64 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N HAA2405 [0,0,0,1,0,1|1,0,0]=3 65 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O HAA1091 [0,1,0,1,0,0|2,0,0]=4 66 B6R0.2 *[C@@H](C)CC(=O)* EZK9050 [0,0,0,0,2,0|2,0,0]=4 67 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [0,0,0,0,2,0|1,0,0]=3 68 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [0,0,0,0,2,0|1,0,0]=3 69 B10R0.97 CC(=O)NCSCCC(=O)O RL-1166 [0,0,0,0,0,2|1,0,1]=4