0 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.28 CC(=O)NCCC(=O)N AAA1906 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [1,0,0,0,0,0|2,0,0]=3 18 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N HAA1022 [0,1,0,0,0,0|1,0,0]=2 19 B10R0.82 COC(=O)CC[C@@H](C(=O)N)N HAA1910 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N HAA1236 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.82 COC(=O)CC[C@H](C(=O)O)N HAA1564 [0,1,0,0,0,0|0,0,0]=1 22 B10R0.92 CS(=O)(=O)CC[C@@H](C(=O)O)N HAA1165 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.92 CS(=O)(=O)CC[C@H](C(=O)O)N HAA2025 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.23 C([C@@H](C(=O)N)N)C(=O)N HAA1604 [0,0,0,0,1,0|2,0,0]=3 25 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N HAA1070 [0,0,0,0,1,0|1,0,0]=2 26 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O HAA1073 [0,0,0,0,1,0|0,0,0]=1 27 B8R0.23 C([C@H](C(=O)O)N)C(=O)N HAA1010 [0,0,0,0,1,0|1,0,0]=2 28 B8R0.23 C([C@H](C(=O)O)N)C(=O)O HAA1013 [0,0,0,0,1,0|0,0,0]=1 29 B8R0.23 CC(=O)N(C)CC(=O)O PSR1200 [0,0,0,0,1,0|3,0,0]=4 30 B8R0.23 CC(=O)N(C)CC(=O)O PSR1210 [0,0,0,0,1,0|3,0,0]=4 31 B8R0.23 CC(=O)N(C)CC(=O)O PSR1220 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.23 CC(=O)N(C)CC(=O)O PSR1230 [0,0,0,0,1,0|3,0,0]=4 33 B8R0.23 CC(C)C(CC(=O)O)N HAA2470 [0,0,0,0,1,0|2,0,1]=4 34 B8R0.23 CC(C)C(CC(=O)O)N HAA2660 [0,0,0,0,1,0|2,0,1]=4 35 B8R0.23 CC(C)C[C@@H](C(=O)O)N HAA1094 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 CC(C)C[C@H](C(=O)O)N HAA1030 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.23 CC(C)[C@@H](CC(=O)O)N HAA8610 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.23 CC(C)[C@H](CC(=O)O)N HAA8680 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.23 CN(C)C[C@@H](C(=O)O)N HAA1690 [0,0,0,0,1,0|3,0,0]=4 40 B8R0.23 CN(C)C[C@H](C(=O)O)N HAA1695 [0,0,0,0,1,0|3,0,0]=4 41 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AAA1911 [0,0,0,0,1,0|3,0,0]=4 42 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [0,0,0,0,1,0|1,0,1]=3 43 B8R0.23 C[C@H](C(=O)O)NC(=O)C AAA1909 [0,0,0,0,1,0|3,0,0]=4 44 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N HAA8490 [0,0,0,0,0,1|1,0,0]=2 45 B10R0.96 C(CC(=O)N)[C@H](CC(=O)O)N HAA8630 [0,0,0,0,0,1|1,0,0]=2 46 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N HAA8500 [0,0,0,0,0,1|0,0,0]=1 47 B10R0.96 C(CC(=O)O)[C@H](CC(=O)O)N HAA8640 [0,0,0,0,0,1|0,0,0]=1 48 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,0,0,0,0,1|0,0,0]=1 49 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O HAA1077 [0,0,0,0,0,1|0,0,0]=1 50 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,0,0,0,0,1|1,0,0]=2 51 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [2,0,0,0,0,0|0,0,2]=4 53 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [2,0,0,0,0,0|0,0,0]=2 58 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [2,0,0,0,0,0|0,0,0]=2 59 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [2,0,0,0,0,0|0,0,1]=3 60 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [2,0,0,0,0,0|0,0,1]=3 61 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [2,0,0,0,0,0|0,0,1]=3 62 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [2,0,0,0,0,0|0,0,1]=3 63 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [2,0,0,0,0,0|1,0,1]=4 66 B9R0.8 CCCC[C@H](C(=O)OC)N HAA6370 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.8 COC(=O)[C@@H](CCSC)N HAA6360 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.8 COC(=O)[C@H](CCCN)N HAA7000 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.8 COC(=O)[C@H](CCSC)N HAA6950 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.47 C#CCOC[C@@H](C(=O)O)N HAA2355 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.47 C#CCSC[C@@H](C(=O)O)N HAA2350 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.47 C(CN=[N+]=[N-])[C@@H](C(=O)O)N HAA5730 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.47 C(CN=[N+]=[N-])[C@H](C(=O)O)N HAA1630 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [1,1,0,0,0,0|0,0,1]=3 77 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [1,1,0,0,0,0|0,0,1]=3 78 B9R0.1 CC(=O)NCCC(=O)OC AAA1908 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.53 C(C(CC(=O)O)N)C(=O)O HAA8480 [1,1,0,0,0,0|0,0,0]=2 80 B9R0.11 CC(=C)C(C)(CC(=O)O)N HAA2500 [0,1,0,0,1,0|2,0,0]=4 81 B9R0.11 CC(=C)C(C)(CC(=O)O)N HAA2690 [0,1,0,0,1,0|2,0,0]=4 82 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N HAA7540 [0,1,0,0,1,0|0,0,0]=2 83 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N HAA7550 [0,1,0,0,1,0|0,0,0]=2 84 B11R0.120 COC(=O)CC[C@@H](C(=O)OC)N HAA6690 [0,2,0,0,0,0|0,0,0]=2 85 B11R0.120 COC(=O)CC[C@H](C(=O)OC)N HAA6240 [0,2,0,0,0,0|0,0,0]=2 86 B11R0.141 C(CC(=O)C=[N+]=[N-])[C@@H](C(=O)O)N HAA6650 [0,2,0,0,0,0|1,0,0]=3 87 B11R0.141 C(CC(=O)C=[N+]=[N-])[C@H](C(=O)O)N HAA6210 [0,2,0,0,0,0|1,0,0]=3 88 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [1,0,0,1,0,0|0,0,0]=2 91 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [1,0,0,1,0,0|0,0,0]=2 92 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [1,0,0,1,0,0|1,0,1]=4 93 B11R1.220 C1CC(CCC1=O)(C(=O)O)N HAA1603 [0,1,0,1,0,0|1,0,0]=3 94 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [1,0,0,0,1,0|0,0,1]=3 95 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [1,0,0,0,1,0|0,0,1]=3 96 B7R0.2 C=CC(CC(=O)O)N HAA2510 [1,0,0,0,1,0|1,0,0]=3 97 B7R0.2 C=CC(CC(=O)O)N HAA2700 [1,0,0,0,1,0|1,0,0]=3 98 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O HAA1188 [0,0,0,0,2,0|1,0,1]=4 99 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O HAA1053 [0,0,0,0,2,0|1,0,1]=4 100 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O HAA1131 [0,0,0,0,2,0|1,0,1]=4 101 B7R0.16 C[C@H]([C@H](C(=O)O)N)O HAA1187 [0,0,0,0,2,0|1,0,1]=4 102 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [1,0,0,0,0,1|1,0,0]=3 103 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [1,0,0,0,0,1|1,0,0]=3 104 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [1,0,0,0,0,1|1,0,1]=4 105 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [1,0,0,0,0,1|1,0,1]=4 106 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [1,0,0,0,0,1|2,0,0]=4 107 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1068 [0,0,0,0,0,2|2,0,0]=4 108 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1069 [0,0,0,0,0,2|2,0,0]=4 109 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=O)N HAA1074 [0,0,0,0,0,2|1,0,0]=3 110 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1008 [0,0,0,0,0,2|2,0,0]=4 111 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1009 [0,0,0,0,0,2|2,0,0]=4 112 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=O)N HAA1014 [0,0,0,0,0,2|1,0,0]=3 113 B11R0.29 CC(=O)NCSC[C@@H](C(=O)O)N HAA6070 [0,0,0,0,0,2|1,0,0]=3