0  B6R0.1  CCOC(=O)CN HAA6590 [0,0,0,0,0,0|1,0,1]=2
1  B6R0.1  CNCC(=O)OC HAA7240 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.1  COC(=O)CCN HAA5560 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  C(CN)C(=O)N HAA5550 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  C(CN)C(=O)O HAA1003 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.1  C(CS)C(=O)O RL-1000 [1,0,0,0,0,0|3,0,0]=4
6  B5R0.1  CNCC(=O)N HAA1581 [1,0,0,0,0,0|3,0,0]=4
7  B5R0.1  CNCC(=O)O HAA1192 [1,0,0,0,0,0|3,0,0]=4
8  B5R0.3  CNC(=O)CN HAA6580 [1,0,0,0,0,0|2,0,1]=4
9  B5R0.3  COC(=O)CN HAA5530 [1,0,0,0,0,0|1,0,1]=3
10  B7R0.5  CCOC(=O)[C@H](C)N HAA5630 [0,1,0,0,0,0|0,0,2]=3
11  B7R1.4  C1COC(=O)[C@@H]1N HAA1538 [0,0,0,1,0,0|1,0,1]=3
12  B7R1.4  C1COC(=O)[C@H]1N HAA1543 [0,0,0,1,0,0|1,0,1]=3
13  B7R1.4  CN1CCCC1=O SOL-009 [0,0,0,1,0,0|2,0,1]=4
14  B4R0.1  C(C(=O)N)N HAA6570 [2,0,0,0,0,0|2,0,0]=4
15  B4R0.2  CCOCC SOL-005 [2,0,0,0,0,0|0,0,2]=4
16  B6R0.2  *[C@@H](C)CC(=O)* EZK9050 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.2  C[C@@H](CC(=O)O)N HAA8470 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.2  C[C@H](CC(=O)O)N HAA8430 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.3  CC[C@@H](C(=O)O)N HAA1247 [1,1,0,0,0,0|2,0,0]=4
20  B6R0.3  CC[C@H](C(=O)O)N HAA1006 [1,1,0,0,0,0|2,0,0]=4
21  B6R0.4  C(CC(=O)O)CN HAA1061 [1,1,0,0,0,0|2,0,0]=4
22  B8R0.24  CC(C)(C)OC(=O)CN HAA6610 [0,2,0,0,0,0|1,0,1]=4
23  B8R0.24  CC(C)(C)OC(=O)NO BAL1014 [0,2,0,0,0,0|2,0,0]=4