0  B4R0.2  CCOCC SOL-005 [0,0,1,0,0,0|1,0,0]=2
1  B4R0.2  COCCBr S-30131 [0,0,1,0,0,0|2,0,0]=3
2  B4R0.2  COCCBr S-30901 [0,0,1,0,0,0|2,0,0]=3
3  B4R0.2  COCCN HL12132 [0,0,1,0,0,0|1,0,0]=2
4  B4R0.2  COCCN HL12902 [0,0,1,0,0,0|1,0,0]=2
5  B4R0.2  COCCO S-30130 [0,0,1,0,0,0|2,0,0]=3
6  B4R0.2  COCCO S-30900 [0,0,1,0,0,0|2,0,0]=3
7  B4R0.2  COCCS HL12134 [0,0,1,0,0,0|2,0,0]=3
8  B4R0.2  COCCS HL12904 [0,0,1,0,0,0|2,0,0]=3
9  B6R1.1  C1CCNCC1 SOL-010 [0,0,0,0,0,1|0,0,0]=1
10  B3R0.1  C#CCN PEG2755 [1,0,1,0,0,0|0,0,2]=4
11  B3R0.1  C(CO)N HAL1020 [1,0,1,0,0,0|1,0,0]=3
12  B3R0.1  C(CS)N HAL1551 [1,0,1,0,0,0|1,0,0]=3
13  B3R0.1  C(CS)S RL-1097 [1,0,1,0,0,0|2,0,0]=4
14  B5R0.1  C(CN)C(=O)N HAA5550 [0,1,1,0,0,0|1,0,1]=4
15  B5R0.1  C(CN)C(=O)O HAA1003 [0,1,1,0,0,0|1,0,1]=4
16  B5R0.1  CNCC(=O)N HAA1581 [0,1,1,0,0,0|1,0,1]=4
17  B5R0.1  CNCC(=O)O HAA1192 [0,1,1,0,0,0|1,0,1]=4
18  B5R0.2  C(CCN)CN HNN1070 [0,1,1,0,0,0|0,0,0]=2
19  B5R0.2  C(CCN)CN HNN1080 [0,1,1,0,0,0|0,0,0]=2
20  B5R0.3  CNC(=O)CN HAA6580 [0,1,1,0,0,0|1,0,1]=4
21  B5R0.3  COC(=O)CN HAA5530 [0,1,1,0,0,0|1,0,1]=4
22  B7R1.3  CC1CCNCC1 RL-2003 [0,1,0,0,0,1|0,0,0]=2
23  B7R1.1  C1C[C@@H](NC1)CO HAL1025 [0,2,0,0,0,0|0,0,0]=2
24  B7R1.1  C1C[C@H](NC1)CO FAL1015 [0,2,0,0,0,0|0,0,0]=2
25  B7R1.4  C1COC(=O)[C@@H]1N HAA1538 [0,2,0,0,0,0|1,0,1]=4
26  B7R1.4  C1COC(=O)[C@H]1N HAA1543 [0,2,0,0,0,0|1,0,1]=4
27  B7R1.4  C1[C@@H](C(=O)NO1)N HAA1519 [0,2,0,0,0,0|1,0,1]=4
28  B7R1.4  CN1CCCC1=O SOL-009 [0,2,0,0,0,0|0,0,1]=3