0 B5R0.1 C(CN)C(=O)N HAA5550 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.1 C(CN)C(=O)O HAA1003 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C(CS)C(=O)O RL-1000 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CNCC(=O)N HAA1581 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 CNCC(=O)O HAA1192 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 C(C(=O)N)N HAA6570 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.1 C[C@H](CO)N FAL1004 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 CCOCC SOL-005 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.2 COCCBr S-30131 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.2 COCCBr S-30901 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.2 COCCN HL12132 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.2 COCCN HL12902 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.2 COCCO S-30130 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 COCCO S-30900 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.2 COCCS HL12134 [1,0,0,0,0,0|1,1,1]=4 15 B4R0.2 COCCS HL12904 [1,0,0,0,0,0|1,1,1]=4 16 B6R0.1 CCOC(=O)CN HAA6590 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.1 CNCC(=O)OC HAA7240 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.1 COC(=O)CCN HAA5560 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.2 *[C@@H](C)CC(=O)* EZK9050 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.3 C(C(C(=O)O)N)N HAA7960 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 C([C@@H](C(=O)O)N)O HAA1129 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 C([C@@H](C(=O)O)N)S HAA1080 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.3 C([C@H](C(=O)O)N)O HAA1051 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 C([C@H](C(=O)O)N)S HAA1017 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.3 C[C@@H](C(=O)O)NC HAA1206 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.3 C[C@H](C(=O)O)NC HAA1193 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.4 C(CC(=O)O)CN HAA1061 [0,1,0,0,0,0|1,0,0]=2 35 B3R0.1 C#CCN PEG2755 [2,0,0,0,0,0|0,0,2]=4 36 B3R0.1 C(CO)N HAL1020 [2,0,0,0,0,0|1,0,0]=3 37 B3R0.1 C(CS)N HAL1551 [2,0,0,0,0,0|1,0,0]=3 38 B3R0.1 C(CS)S RL-1097 [2,0,0,0,0,0|1,1,0]=4 39 B5R0.3 CNC(=O)CN HAA6580 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.3 COC(=O)CN HAA5530 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.5 *[C@H](N)C(=O)O EZK9040 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.5 C[C@@H](C(=O)N)N HAA5610 [1,1,0,0,0,0|0,0,0]=2 43 B5R0.5 C[C@@H](C(=O)O)N HAA1066 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.5 C[C@H](C(=O)N)N HAA5520 [1,1,0,0,0,0|0,0,0]=2 45 B5R0.5 C[C@H](C(=O)O)N HAA1007 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.2 C(CCN)CN HNN1070 [1,1,0,0,0,0|0,0,1]=3 47 B5R0.2 C(CCN)CN HNN1080 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.2 C=CC(CC(=O)O)N HAA2510 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.2 C=CC(CC(=O)O)N HAA2700 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.2 CC(C)C[C@@H](CO)N FAL1011 [0,2,0,0,0,0|0,0,2]=4 53 B7R0.2 CC(C)C[C@H](CO)N FAL1005 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.3 CSCC[C@H](CO)N FAL1006 [0,2,0,0,0,0|0,0,2]=4 55 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [0,2,0,0,0,0|1,0,0]=3 63 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [0,2,0,0,0,0|0,0,1]=3 66 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [0,2,0,0,0,0|0,0,1]=3 67 B7R0.5 CCOC(=O)[C@H](C)N HAA5630 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.10 CC[C@H](C)[C@@H](CO)N FAL1026 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.10 COC(=O)[C@@H](CO)N HAA6540 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.10 COC(=O)[C@H](CO)N HAA7210 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.16 CC(C)[C@@H](C(=O)N)N HAA7500 [0,2,0,0,0,0|0,0,0]=2 75 B7R0.16 CC(C)[C@@H](C(=O)O)N HAA1143 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.16 CC(C)[C@H](C(=O)O)N HAA1060 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O HAA1188 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O HAA1053 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O HAA1166 [0,2,0,0,0,0|0,0,0]=2 80 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O HAA1131 [0,2,0,0,0,0|1,0,0]=3 81 B7R0.16 C[C@H]([C@H](C(=O)O)N)O HAA1187 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.13 CC[C@@](C)(C(=O)O)N HAA5270 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.13 CC[C@](C)(C(=O)O)N HAA5260 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.13 C[C@@](CS)(C(=O)O)N HAA5180 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.13 C[C@](CS)(C(=O)O)N HAA2075 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.6 CC(=O)NCC(=O)O AAA1915 [0,2,0,0,0,0|1,0,1]=4 87 B7R1.1 C1C[C@@H](NC1)CO HAL1025 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.1 C1C[C@H](NC1)CO FAL1015 [0,1,0,1,0,0|0,0,2]=4 89 B7R1.4 C1COC(=O)[C@@H]1N HAA1538 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.4 C1COC(=O)[C@H]1N HAA1543 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.4 C1[C@@H](C(=O)NO1)N HAA1519 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.4 CN1CCCC1=O SOL-009 [0,1,0,1,0,0|0,0,0]=2