0 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [0,0,0,0,0,0|1,0,0]=1 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|0,0,2]=3 7 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [1,0,0,0,0,0|0,0,1]=2 8 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [1,0,0,0,0,0|0,0,1]=2 9 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [1,0,0,0,0,0|2,0,1]=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|2,0,0]=3 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|0,0,0]=1 19 B10R0.82 COC(=O)CC[C@@H](C(=O)N)N HAA1910 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N HAA1236 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.82 COC(=O)CC[C@H](C(=O)O)N HAA1564 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.92 CS(=O)(=O)CC[C@@H](C(=O)O)N HAA1165 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.92 CS(=O)(=O)CC[C@H](C(=O)O)N HAA2025 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.23 C([C@@H](C(=O)N)N)C(=O)N HAA1604 [0,0,0,0,1,0|1,0,0]=2 25 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N HAA1070 [0,0,0,0,1,0|0,0,0]=1 26 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O HAA1073 [0,0,0,0,1,0|1,0,0]=2 27 B8R0.23 C([C@H](C(=O)O)N)C(=O)N HAA1010 [0,0,0,0,1,0|0,0,0]=1 28 B8R0.23 C([C@H](C(=O)O)N)C(=O)O HAA1013 [0,0,0,0,1,0|1,0,0]=2 29 B8R0.23 CC(C)C[C@@H](C(=O)O)N HAA1094 [0,0,0,0,1,0|2,0,1]=4 30 B8R0.23 CC(C)C[C@H](C(=O)O)N HAA1030 [0,0,0,0,1,0|2,0,1]=4 31 B8R0.23 CN(C)C[C@@H](C(=O)O)N HAA1690 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.23 CN(C)C[C@H](C(=O)O)N HAA1695 [0,0,0,0,1,0|3,0,0]=4 33 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AAA1911 [0,0,0,0,1,0|3,0,0]=4 34 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [0,0,0,0,1,0|2,0,1]=4 35 B8R0.23 C[C@H](C(=O)O)NC(=O)C AAA1909 [0,0,0,0,1,0|3,0,0]=4 36 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N HAA8490 [0,0,0,0,0,1|0,0,0]=1 37 B10R0.96 C(CC(=O)N)[C@H](CC(=O)O)N HAA8630 [0,0,0,0,0,1|0,0,0]=1 38 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N HAA8500 [0,0,0,0,0,1|1,0,0]=2 39 B10R0.96 C(CC(=O)O)[C@H](CC(=O)O)N HAA8640 [0,0,0,0,0,1|1,0,0]=2 40 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,0,0,0,0,1|1,0,0]=2 41 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O HAA1077 [0,0,0,0,0,1|1,0,0]=2 42 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,0,0,0,0,1|1,0,0]=2 43 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [2,0,0,0,0,0|0,0,2]=4 45 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [2,0,0,0,0,0|0,0,2]=4 46 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [2,0,0,0,0,0|0,0,0]=2 48 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [2,0,0,0,0,0|0,0,0]=2 49 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [2,0,0,0,0,0|0,0,1]=3 50 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [2,0,0,0,0,0|0,0,1]=3 51 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [2,0,0,0,0,0|0,0,1]=3 53 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [2,0,0,0,0,0|0,0,1]=3 54 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [2,0,0,0,0,0|0,0,1]=3 55 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [2,0,0,0,0,0|1,0,1]=4 58 B9R0.8 CCCC[C@H](C(=O)OC)N HAA6370 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.8 COC(=O)[C@@H](CCSC)N HAA6360 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.8 COC(=O)[C@H](CCCN)N HAA7000 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.8 COC(=O)[C@H](CCSC)N HAA6950 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 C#CCOC[C@@H](C(=O)O)N HAA2355 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.47 C#CCSC[C@@H](C(=O)O)N HAA2350 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.47 C(CN=[N+]=[N-])[C@@H](C(=O)O)N HAA5730 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.47 C(CN=[N+]=[N-])[C@H](C(=O)O)N HAA1630 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [1,1,0,0,0,0|0,0,2]=4 69 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [1,1,0,0,0,0|0,0,2]=4 70 B9R0.1 CC(=O)NCCC(=O)OC AAA1908 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.53 C(C(CC(=O)O)N)C(=O)O HAA8480 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N HAA7540 [0,1,0,0,1,0|1,0,0]=3 73 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N HAA7550 [0,1,0,0,1,0|1,0,0]=3 74 B11R0.120 COC(=O)CC[C@@H](C(=O)OC)N HAA6690 [0,2,0,0,0,0|1,0,0]=3 75 B11R0.120 COC(=O)CC[C@H](C(=O)OC)N HAA6240 [0,2,0,0,0,0|1,0,0]=3 76 B11R0.141 C(CC(=O)C=[N+]=[N-])[C@@H](C(=O)O)N HAA6650 [0,2,0,0,0,0|0,0,1]=3 77 B11R0.141 C(CC(=O)C=[N+]=[N-])[C@H](C(=O)O)N HAA6210 [0,2,0,0,0,0|0,0,1]=3 78 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.35 C1C(N=C(S1)N)C(=O)O HAA5890 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [1,0,0,1,0,0|0,0,0]=2 82 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [1,0,0,1,0,0|0,0,0]=2 83 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.163 C[C@@]1(CCCN1)C(=O)O HAA1561 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.163 C[C@]1(CCCN1)C(=O)O HAA1228 [1,0,0,1,0,0|1,0,1]=4 86 B11R1.220 C1CC(CCC1=O)(C(=O)O)N HAA1603 [0,1,0,1,0,0|1,0,0]=3 87 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [1,0,0,0,1,0|1,0,1]=4 88 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [1,0,0,0,1,0|1,0,1]=4 89 B7R0.2 C=CC(CC(=O)O)N HAA2510 [1,0,0,0,1,0|2,0,0]=4 90 B7R0.2 C=CC(CC(=O)O)N HAA2700 [1,0,0,0,1,0|2,0,0]=4 91 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O HAA1166 [0,0,0,0,2,0|1,0,1]=4 92 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [1,0,0,0,0,1|1,0,0]=3 93 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [1,0,0,0,0,1|1,0,0]=3 94 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [1,0,0,0,0,1|1,0,1]=4 95 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [1,0,0,0,0,1|1,0,1]=4 96 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [1,0,0,0,0,1|2,0,0]=4 97 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1068 [0,0,0,0,0,2|1,0,0]=3 98 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=N)N HAA1069 [0,0,0,0,0,2|1,0,0]=3 99 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=O)N HAA1074 [0,0,0,0,0,2|0,0,0]=2 100 B11R0.29 C(C[C@H](C(=O)N)N)CNC(=N)N HAA1513 [0,0,0,0,0,2|2,0,0]=4 101 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1008 [0,0,0,0,0,2|1,0,0]=3 102 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=N)N HAA1009 [0,0,0,0,0,2|1,0,0]=3 103 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=O)N HAA1014 [0,0,0,0,0,2|0,0,0]=2 104 B11R0.29 CC(=O)NCSC[C@@H](C(=O)O)N HAA6070 [0,0,0,0,0,2|1,0,0]=3