0  B4R0.2  CCOCC SOL-005 [0,0,0,0,0,0|0,1,0]=1
1  B4R0.2  COCCBr S-30131 [0,0,0,0,0,0|3,0,0]=3
2  B4R0.2  COCCBr S-30901 [0,0,0,0,0,0|3,0,0]=3
3  B4R0.2  COCCN HL12132 [0,0,0,0,0,0|3,0,0]=3
4  B4R0.2  COCCN HL12902 [0,0,0,0,0,0|3,0,0]=3
5  B4R0.2  COCCO S-30130 [0,0,0,0,0,0|3,0,0]=3
6  B4R0.2  COCCO S-30900 [0,0,0,0,0,0|3,0,0]=3
7  B4R0.2  COCCS HL12134 [0,0,0,0,0,0|3,0,0]=3
8  B4R0.2  COCCS HL12904 [0,0,0,0,0,0|3,0,0]=3
9  B3R0.1  C#CCN PEG2755 [1,0,0,0,0,0|1,0,2]=4
10  B3R0.1  C(CO)N HAL1020 [1,0,0,0,0,0|2,0,0]=3
11  B3R0.1  C(CS)N HAL1551 [1,0,0,0,0,0|2,0,0]=3
12  B3R0.1  C(CS)S RL-1097 [1,0,0,0,0,0|2,0,0]=3
13  B5R0.2  C(CCN)CN HNN1070 [0,1,0,0,0,0|2,0,0]=3
14  B5R0.2  C(CCN)CN HNN1080 [0,1,0,0,0,0|2,0,0]=3
15  B5R0.3  CNC(=O)CN HAA6580 [0,1,0,0,0,0|3,0,0]=4
16  B5R0.3  COC(=O)CN HAA5530 [0,1,0,0,0,0|3,0,0]=4
17  B2R0.1  C(Cl)Cl SOL-002 [2,0,0,0,0,0|2,0,0]=4
18  B2R0.1  CC#N SOL-013 [2,0,0,0,0,0|1,0,1]=4
19  B2R0.1  CSC RL-1098 [2,0,0,0,0,0|0,0,0]=2
20  B4R0.1  C[C@@H](CN)O FAL1033 [1,1,0,0,0,0|1,0,0]=3
21  B4R0.1  C[C@H](CO)N FAL1004 [1,1,0,0,0,0|1,0,0]=3
22  B6R0.1  CCOC(=O)CN HAA6590 [0,2,0,0,0,0|0,1,1]=4
23  B6R0.1  CNCC(=O)OC HAA7240 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.1  COC(=O)CCN HAA5560 [0,2,0,0,0,0|2,0,0]=4
25  B6R0.3  CC(C)[C@@H](CO)N FAL1018 [0,2,0,0,0,0|2,0,0]=4
26  B6R0.3  C[C@@H](C(=O)OC)N HAA1067 [0,2,0,0,0,0|2,0,0]=4
27  B6R0.3  C[C@H](C(=O)OC)N HAA5580 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.3  C[C@H]([C@@H](CO)N)O FAL1016 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.6  C(CCN)CCO FAL1003 [0,2,0,0,0,0|1,0,0]=3
30  B6R0.6  C(COCCS)O PEG5450 [0,2,0,0,0,0|0,1,0]=3
31  B6R0.6  C(COCCS)O PEG5460 [0,2,0,0,0,0|0,1,0]=3
32  B6R0.6  C(COCCS)O PEG5470 [0,2,0,0,0,0|0,1,0]=3
33  B6R1.1  C1CCNCC1 SOL-010 [0,1,0,1,0,0|1,0,0]=3