0 B6R0.1 CCOC(=O)CN HAA6590 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CNCC(=O)OC HAA7240 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 COC(=O)CCN HAA5560 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C(CN)C(=O)O HAA1003 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 C(CS)C(=O)O RL-1000 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CNCC(=O)O HAA1192 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 C(CCN)CN HNN1070 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.2 C(CCN)CN HNN1080 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 CC(C)C[C@@H](CO)N FAL1011 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.2 CC(C)C[C@H](CO)N FAL1005 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.3 CSCC[C@H](CO)N FAL1006 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.5 CCOC(=O)[C@H](C)N HAA5630 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.10 C([C@@H]([C@H](CS)O)O)S RL-1103 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.10 C([C@H]([C@@H](CS)O)O)S RL-1020 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.10 C([C@H]([C@@H](CS)O)O)S RL-1167 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.10 C([C@H]([C@H](CS)O)O)S RL-1019 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.10 CC[C@H](C)[C@@H](CO)N FAL1026 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.1 C1C[C@@H](NC1)CO HAL1025 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.1 C1C[C@H](NC1)CO FAL1015 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.3 CC1CCNCC1 RL-2003 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.4 CN1CCCC1=O SOL-009 [0,0,0,1,0,0|1,0,2]=4 23 B4R0.1 C[C@@H](CN)O FAL1033 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.1 C[C@H](CO)N FAL1004 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.2 CCOCC SOL-005 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.2 COCCBr S-30131 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.2 COCCBr S-30901 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.2 COCCN HL12132 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.2 COCCN HL12902 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.2 COCCO S-30130 [2,0,0,0,0,0|1,0,0]=3 31 B4R0.2 COCCO S-30900 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.2 COCCS HL12134 [2,0,0,0,0,0|1,1,0]=4 33 B4R0.2 COCCS HL12904 [2,0,0,0,0,0|1,1,0]=4 34 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.3 CC(C)[C@@H](CO)N FAL1018 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.3 C[C@H]([C@@H](CO)N)O FAL1016 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.4 C(CC(=O)O)CN HAA1061 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.6 C(CCN)CCO FAL1003 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.6 C(COCCS)O PEG5450 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.6 C(COCCS)O PEG5460 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.6 C(COCCS)O PEG5470 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.5 CCCC(CC(=O)O)N HAA2445 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.5 CCCC(CC(=O)O)N HAA2635 [0,2,0,0,0,0|1,0,1]=4 47 B6R1.1 C1CCNCC1 SOL-010 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.5 C1[C@H]([C@@H](CSS1)O)O RL-1012 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.5 C1[C@H]([C@H](CSS1)O)O RL-1011 [0,1,0,1,0,0|2,0,0]=4