0 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.3 CSCC[C@H](CO)N FAL1006 [1,0,0,0,0,0|0,0,1]=2 11 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [1,0,0,0,0,0|0,1,0]=2 18 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [1,0,0,0,0,0|0,1,0]=2 19 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [1,0,0,0,0,0|0,0,0]=1 23 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [1,0,0,0,0,0|0,0,0]=1 26 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N HAA1670 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.6 CCO[C@H](C)[C@H](C(=O)O)N HAA1675 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [0,1,0,0,0,0|1,0,0]=2 33 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,1,0,0,0,0|0,0,1]=2 34 B9R0.8 CCCC[C@H](C(=O)OC)N HAA6370 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.8 COC(=O)[C@@H](CCSC)N HAA6360 [0,1,0,0,0,0|0,0,0]=1 36 B9R0.8 COC(=O)[C@H](CCCN)N HAA7000 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.8 COC(=O)[C@H](CCSC)N HAA6950 [0,1,0,0,0,0|0,0,0]=1 38 B9R0.42 COC(=O)C[C@@H](C(=O)O)N HAA5190 [0,1,0,0,0,0|0,1,1]=3 39 B9R0.47 C#CCOC[C@@H](C(=O)O)N HAA2355 [0,1,0,0,0,0|1,0,1]=3 40 B9R0.47 C#CCSC[C@@H](C(=O)O)N HAA2350 [0,1,0,0,0,0|1,0,1]=3 41 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [0,1,0,0,0,0|1,0,0]=2 42 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [0,1,0,0,0,0|1,0,0]=2 43 B9R0.47 C(CN=[N+]=[N-])[C@@H](C(=O)O)N HAA5730 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.47 C(CN=[N+]=[N-])[C@H](C(=O)O)N HAA1630 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [0,1,0,0,0,0|2,0,0]=3 46 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.6 C1COC[C@@H](N1)C(=O)O HAA8720 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.6 C1COC[C@H](N1)C(=O)O HAA1582 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.6 C1CSC[C@@H](N1)C(=O)O HAA8750 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.6 C1CSC[C@H](N1)C(=O)O HAA8730 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.163 C[C@@]1(CCCN1)C(=O)O HAA1561 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.163 C[C@]1(CCCN1)C(=O)O HAA1228 [0,0,0,1,0,0|3,0,0]=4 58 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [0,0,0,0,0,1|1,0,1]=3 59 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [0,0,0,0,0,1|1,0,1]=3 60 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [0,0,0,0,0,1|1,0,0]=2 61 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [0,0,0,0,0,1|1,0,0]=2 62 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [0,0,0,0,0,1|0,0,0]=1 63 B6R0.4 C(CC(=O)O)CN HAA1061 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.3 C(C(C(=O)O)N)N HAA7960 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.3 C([C@@H](C(=O)O)N)O HAA1129 [2,0,0,0,0,0|0,1,0]=3 67 B6R0.3 C([C@@H](C(=O)O)N)S HAA1080 [2,0,0,0,0,0|0,0,0]=2 68 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.3 C([C@H](C(=O)O)N)O HAA1051 [2,0,0,0,0,0|0,1,0]=3 71 B6R0.3 C([C@H](C(=O)O)N)S HAA1017 [2,0,0,0,0,0|0,0,0]=2 72 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [2,0,0,0,0,0|0,0,0]=2 73 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [2,0,0,0,0,0|0,0,0]=2 74 B6R0.3 C[C@@H](C(=O)O)NC HAA1206 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.3 C[C@H](C(=O)O)NC HAA1193 [2,0,0,0,0,0|2,0,0]=4 76 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.5 CCCC(CC(=O)O)N HAA2445 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.5 CCCC(CC(=O)O)N HAA2635 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.7 COCCOCC(=O)O PEG2020 [1,1,0,0,0,0|0,1,0]=3 83 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N HAA1515 [1,1,0,0,0,0|0,0,0]=2 85 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N HAA1029 [1,1,0,0,0,0|0,0,0]=2 86 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N HAA1093 [1,1,0,0,0,0|0,0,0]=2 87 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N HAA1186 [1,1,0,0,0,0|0,0,0]=2 88 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC HAA1660 [1,1,0,0,0,0|0,1,0]=3 89 B8R0.2 C[C@H]([C@H](C(=O)O)N)OC HAA1665 [1,1,0,0,0,0|0,1,0]=3 90 B8R0.12 CCC[C@@](C)(C(=O)O)N HAA1635 [1,1,0,0,0,0|0,0,0]=2 91 B8R0.12 CCC[C@](C)(C(=O)O)N HAA1558 [1,1,0,0,0,0|0,0,0]=2 92 B8R0.12 C[C@@](CC#C)(C(=O)O)N HAA5500 [1,1,0,0,0,0|0,0,2]=4 93 B8R0.12 C[C@@](CC=C)(C(=O)O)N HAA5240 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.12 C[C@](CC#C)(C(=O)O)N HAA5510 [1,1,0,0,0,0|0,0,2]=4 95 B8R0.12 C[C@](CC=C)(C(=O)O)N HAA5250 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N HAA1070 [1,1,0,0,0,0|0,1,1]=4 97 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O HAA1073 [1,1,0,0,0,0|0,1,1]=4 98 B8R0.23 C([C@H](C(=O)O)N)C(=O)N HAA1010 [1,1,0,0,0,0|0,1,1]=4 99 B8R0.23 C([C@H](C(=O)O)N)C(=O)O HAA1013 [1,1,0,0,0,0|0,1,1]=4 100 B8R0.23 CC(C)C[C@@H](C(=O)N)N HAA6780 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.23 CC(C)C[C@@H](C(=O)O)N HAA1094 [1,1,0,0,0,0|0,0,0]=2 102 B8R0.23 CC(C)C[C@H](C(=O)N)N HAA6280 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.23 CC(C)C[C@H](C(=O)O)N HAA1030 [1,1,0,0,0,0|0,0,0]=2 104 B8R0.23 CN(C)C[C@@H](C(=O)O)N HAA1690 [1,1,0,0,0,0|1,0,0]=3 105 B8R0.23 CN(C)C[C@H](C(=O)O)N HAA1695 [1,1,0,0,0,0|1,0,0]=3 106 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N HAA8530 [0,1,0,0,0,1|1,0,0]=3 107 B10R0.6 C(CCN)C[C@H](CC(=O)O)N HAA8670 [0,1,0,0,0,1|1,0,0]=3 108 B10R0.6 CCCCCC(CC(=O)O)N HAA2455 [0,1,0,0,0,1|1,0,0]=3 109 B10R0.6 CCCCCC(CC(=O)O)N HAA2645 [0,1,0,0,0,1|1,0,0]=3 110 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N HAA8490 [0,1,0,0,0,1|2,0,0]=4 111 B10R0.96 C(CC(=O)N)[C@H](CC(=O)O)N HAA8630 [0,1,0,0,0,1|2,0,0]=4 112 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N HAA8500 [0,1,0,0,0,1|2,0,0]=4 113 B10R0.96 C(CC(=O)O)[C@H](CC(=O)O)N HAA8640 [0,1,0,0,0,1|2,0,0]=4 114 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N HAA1022 [0,2,0,0,0,0|2,0,0]=4 115 B10R0.82 COC(=O)CC[C@@H](C(=O)N)N HAA1910 [0,2,0,0,0,0|1,1,0]=4 116 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N HAA1236 [0,2,0,0,0,0|0,1,0]=3 117 B10R0.82 COC(=O)CC[C@H](C(=O)O)N HAA1564 [0,2,0,0,0,0|0,1,0]=3 118 B10R0.92 CC(C)(C)OC[C@@H](C(=O)O)N HAA7200 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.92 CC(C)(C)OC[C@H](C(=O)O)N HAA6520 [0,2,0,0,0,0|2,0,0]=4 120 B10R0.92 CC(C)(C)SC[C@@H](C(=O)O)N HAA6150 [0,2,0,0,0,0|2,0,0]=4 121 B10R0.92 CS(=O)(=O)CC[C@@H](C(=O)O)N HAA1165 [0,2,0,0,0,0|0,0,1]=3 122 B10R0.92 CS(=O)(=O)CC[C@H](C(=O)O)N HAA2025 [0,2,0,0,0,0|0,0,1]=3 123 B10R0.19 CCOC(=O)[C@@H](CCSC)N HAA6350 [0,2,0,0,0,0|0,0,0]=2 124 B10R0.19 CCOC(=O)[C@H](CCSC)N HAA6940 [0,2,0,0,0,0|0,0,0]=2 125 B10R0.46 COC(=O)C[C@@H](C(=O)OC)N HAA1071 [0,2,0,0,0,0|0,1,1]=4 126 B10R0.46 COC(=O)C[C@H](C(=O)OC)N HAA1590 [0,2,0,0,0,0|0,1,1]=4 127 B10R0.83 COC(=O)[C@H](CCCCN)N HAA6910 [0,2,0,0,0,0|1,0,0]=3 128 B10R0.75 C(CC[C@@H](C(=O)O)N)CCN HAA1509 [0,2,0,0,0,0|1,0,0]=3 129 B10R0.75 C(C[C@@H](C(=O)O)N)CN=[N+]=[N-] HAA1620 [0,2,0,0,0,0|2,0,0]=4 130 B10R0.75 C(C[C@H](C(=O)O)N)CN=[N+]=[N-] HAA1895 [0,2,0,0,0,0|2,0,0]=4 131 B10R0.75 CCCCCC[C@@H](C(=O)O)N HAA5720 [0,2,0,0,0,0|1,0,0]=3 132 B10R0.75 CCCCCC[C@H](C(=O)O)N HAA5710 [0,2,0,0,0,0|1,0,0]=3 133 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,2,0,0,0,0|1,0,1]=4 134 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O HAA1077 [0,2,0,0,0,0|2,0,0]=4 135 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,2,0,0,0,0|1,0,0]=3 136 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [1,0,0,1,0,0|1,0,0]=3 139 B8R1.78 C1CC(C1)(C(=O)O)N HAA5170 [1,0,0,1,0,0|0,0,0]=2 140 B10R1.18 C1CNCCC1CC(=O)O RL-1048 [0,0,0,1,0,1|2,0,0]=4 141 B10R1.61 C1C=CC[C@@H]([C@@H]1C(=O)O)N HAA2425 [0,0,0,1,0,1|1,0,1]=4 142 B10R1.61 C1C=CC[C@H]([C@H]1C(=O)O)N HAA2615 [0,0,0,1,0,1|1,0,1]=4 143 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N HAA2415 [0,0,0,1,0,1|1,0,0]=3 144 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N HAA2605 [0,0,0,1,0,1|1,0,0]=3 145 B10R1.370 C1CCC(C1)(CC(=O)O)N HAA2395 [0,0,0,1,0,1|1,0,0]=3 146 B10R1.370 C1CCC(C1)(CC(=O)O)N HAA2585 [0,0,0,1,0,1|1,0,0]=3 147 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N HAA1076 [0,1,0,1,0,0|1,0,0]=3 148 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N HAA1016 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 HAA7190 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.15 COC(=O)C1CCNCC1 HAA1611 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.203 CC1(N=N1)C[C@@H](C(=O)O)N HAA3100 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.363 C1CCC(CC1)(C(=O)O)N HAA1554 [0,1,0,1,0,0|1,0,0]=3