0  B7R1.1  C1C[C@@H](NC1)CO HAL1025 [0,1,0,0,0,0|2,0,0]=3
1  B7R1.1  C1C[C@H](NC1)CO FAL1015 [0,1,0,0,0,0|2,0,0]=3
2  B7R1.4  CN1CCCC1=O SOL-009 [0,1,0,0,0,0|3,0,0]=4
3  B5R0.2  C(CCN)CN HNN1070 [0,0,1,0,0,0|3,0,0]=4
4  B5R0.2  C(CCN)CN HNN1080 [0,0,1,0,0,0|3,0,0]=4
5  B7R1.3  CC1CCNCC1 RL-2003 [0,0,0,0,0,1|2,0,0]=3
6  B4R0.1  C[C@@H](CN)O FAL1033 [1,0,1,0,0,0|1,1,0]=4
7  B4R0.1  C[C@H](CO)N FAL1004 [1,0,1,0,0,0|2,0,0]=4
8  B4R0.2  CCOCC SOL-005 [1,0,1,0,0,0|0,1,0]=3
9  B4R0.2  COCCBr S-30131 [1,0,1,0,0,0|1,1,0]=4
10  B4R0.2  COCCBr S-30901 [1,0,1,0,0,0|1,1,0]=4
11  B4R0.2  COCCN HL12132 [1,0,1,0,0,0|1,1,0]=4
12  B4R0.2  COCCN HL12902 [1,0,1,0,0,0|1,1,0]=4
13  B4R0.2  COCCO S-30130 [1,0,1,0,0,0|0,2,0]=4
14  B4R0.2  COCCO S-30900 [1,0,1,0,0,0|0,2,0]=4
15  B4R0.2  COCCS HL12134 [1,0,1,0,0,0|0,1,0]=3
16  B4R0.2  COCCS HL12904 [1,0,1,0,0,0|0,1,0]=3
17  B6R0.6  C(CCN)CCO FAL1003 [0,1,1,0,0,0|1,1,0]=4
18  B6R0.6  C(COCCS)O PEG5450 [0,1,1,0,0,0|0,1,0]=3
19  B6R0.6  C(COCCS)O PEG5460 [0,1,1,0,0,0|0,1,0]=3
20  B6R0.6  C(COCCS)O PEG5470 [0,1,1,0,0,0|0,1,0]=3
21  B6R1.1  C1CCNCC1 SOL-010 [0,0,1,1,0,0|2,0,0]=4