0  B5R0.1  C(CN)C(=O)N HAA5550 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  C(CN)C(=O)O HAA1003 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  C(CS)C(=O)O RL-1000 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  C(C(=O)N)N HAA6570 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  CN(C)C=O SOL-004 [1,0,0,0,0,0|1,1,0]=3
5  B4R0.1  C[C@@H](CN)O FAL1033 [1,0,0,0,0,0|2,0,1]=4
6  B4R0.1  C[C@H](CO)N FAL1004 [1,0,0,0,0,0|1,1,1]=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|2,0,1]=4
11  B4R0.2  COCCN HL12902 [1,0,0,0,0,0|2,0,1]=4
12  B4R0.2  COCCO S-30130 [1,0,0,0,0,0|1,1,1]=4
13  B4R0.2  COCCO S-30900 [1,0,0,0,0,0|1,1,1]=4
14  B4R0.2  COCCS HL12134 [1,0,0,0,0,0|1,0,1]=3
15  B4R0.2  COCCS HL12904 [1,0,0,0,0,0|1,0,1]=3
16  B6R0.1  CCOC(=O)CN HAA6590 [0,1,0,0,0,0|3,0,0]=4
17  B6R0.1  COC(=O)CCN HAA5560 [0,1,0,0,0,0|2,0,1]=4
18  B6R0.3  C([C@@H](C(=O)O)N)S HAA1080 [0,1,0,0,0,0|2,0,1]=4
19  B6R0.3  C([C@H](C(=O)O)N)S HAA1017 [0,1,0,0,0,0|2,0,1]=4
20  B6R0.3  CC(C)[C@@H](CO)N FAL1018 [0,1,0,0,0,0|0,1,2]=4
21  B3R0.1  C(CS)N HAL1551 [2,0,0,0,0,0|1,0,1]=4
22  B3R0.1  C(CS)S RL-1097 [2,0,0,0,0,0|1,0,1]=4
23  B5R0.3  CNC(=O)CN HAA6580 [1,1,0,0,0,0|2,0,0]=4
24  B5R0.3  COC(=O)CN HAA5530 [1,1,0,0,0,0|2,0,0]=4
25  B7R1.4  CN1CCCC1=O SOL-009 [0,1,0,1,0,0|2,0,0]=4