0 B5R0.1 C(CN)C(=O)N HAA5550 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C(CN)C(=O)O HAA1003 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C(CS)C(=O)O RL-1000 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C(C(=O)N)N HAA6570 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 CN(C)C=O SOL-004 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 C[C@@H](CN)O FAL1033 [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|2,0,0]=3 7 B4R0.2 CCOCC SOL-005 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 COCCBr S-30131 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 COCCBr S-30901 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 COCCN HL12132 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.2 COCCN HL12902 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.2 COCCO S-30130 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 COCCO S-30900 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 COCCS HL12134 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.2 COCCS HL12904 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 COC(=O)CCN HAA5560 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.2 *[C@@H](C)CC(=O)* EZK9050 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 C(C(C(=O)O)N)N HAA7960 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.3 CC(C)[C@@H](CO)N FAL1018 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 C[C@H]([C@@H](CO)N)O FAL1016 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.4 C(CC(=O)O)CN HAA1061 [0,1,0,0,0,0|2,0,1]=4 27 B3R0.1 C#CCN PEG2755 [2,0,0,0,0,0|0,0,2]=4 28 B3R0.1 C(CO)N HAL1020 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.1 C(CS)N HAL1551 [2,0,0,0,0,0|1,0,0]=3 30 B3R0.1 C(CS)S RL-1097 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 CNC(=O)CN HAA6580 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.3 COC(=O)CN HAA5530 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.5 C[C@@H](C(=O)N)N HAA5610 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.5 C[C@H](C(=O)N)N HAA5520 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.2 C(CCN)CN HNN1070 [1,1,0,0,0,0|0,0,0]=2 36 B5R0.2 C(CCN)CN HNN1080 [1,1,0,0,0,0|0,0,0]=2 37 B7R0.2 CC(C)C[C@@H](CO)N FAL1011 [0,2,0,0,0,0|0,0,0]=2 38 B7R0.2 CC(C)C[C@H](CO)N FAL1005 [0,2,0,0,0,0|0,0,0]=2 39 B7R0.3 CSCC[C@H](CO)N FAL1006 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [0,2,0,0,0,0|1,0,1]=4 41 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.10 C([C@@H]([C@H](CS)O)O)S RL-1103 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.10 C([C@H]([C@@H](CS)O)O)S RL-1020 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.10 C([C@H]([C@@H](CS)O)O)S RL-1167 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.10 C([C@H]([C@H](CS)O)O)S RL-1019 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.10 CC[C@H](C)[C@@H](CO)N FAL1026 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.16 CC(C)[C@@H](C(=O)N)N HAA7500 [0,2,0,0,0,0|0,0,1]=3 48 B7R0.16 CC(C)[C@@H](C(=O)O)N HAA1143 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.16 CC(C)[C@H](C(=O)O)N HAA1060 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O HAA1166 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.8 CC(C)(C)OCCN FAL1021 [0,2,0,0,0,0|0,0,0]=2 52 B7R1.1 C1C[C@@H](NC1)CO HAL1025 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.1 C1C[C@H](NC1)CO FAL1015 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.3 CC1CCNCC1 RL-2003 [0,1,0,1,0,0|0,0,0]=2