0  B5R0.3  CCC(CC)N R000SG [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  CC(=O)NC R000SZ [1,0,0,0,0,0|1,0,1]=3
2  B4R0.2  C#CCCBr R0016U [1,0,0,0,0,0|2,0,1]=4
3  B4R0.2  C=CCCBr R0018Q [1,0,0,0,0,0|2,0,0]=3
4  B6R0.1  CC(COC)OC R00135 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.3  CC(C(=O)O)NC R000ZY [0,1,0,0,0,0|1,0,0]=2
6  B6R0.3  CCN(C)C(=O)Cl R000ZP [0,1,0,0,0,0|1,0,0]=2
7  B6R0.3  C[C@@H](C(=O)O)NC R00100 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.3  C[C@H](C(=O)O)NC R000ZZ [0,1,0,0,0,0|1,0,0]=2
9  B3R0.1  C(CCl)Cl R0018I [2,0,0,0,0,0|2,0,0]=4
10  B3R0.2  CN(C)C R001AQ [2,0,0,0,0,0|1,0,1]=4
11  B3R0.2  CS(=O)C R0019F [2,0,0,0,0,0|1,0,0]=3
12  B3R0.2  CS(=O)[O-] R000ZR [2,0,0,0,0,0|2,0,0]=4
13  B5R0.1  CC(C)ON=O R000TA [1,1,0,0,0,0|1,0,0]=3
14  B5R0.4  CC(CN)(F)F R0017E [1,1,0,0,0,0|2,0,0]=4
15  B5R0.4  CC(CO)(F)F R0016K [1,1,0,0,0,0|2,0,0]=4
16  B5R0.4  CCS(=O)(=O)C R000V3 [1,1,0,0,0,0|1,0,0]=3
17  B5R0.4  C[Si](C)(C)C=C R0017S [1,1,0,0,0,0|1,1,0]=4
18  B5R0.5  CC(C(=O)Cl)Cl R0014V [1,1,0,0,0,0|1,0,0]=3
19  B5R0.2  C#CCCCCl R0014C [1,1,0,0,0,0|1,0,1]=4
20  B5R0.2  C#CCCCO R0018S [1,1,0,0,0,0|1,0,1]=4
21  B5R0.2  CCCCC#C R0019A [1,1,0,0,0,0|1,0,1]=4
22  B5R0.2  COCCCO R0012O [1,1,0,0,0,0|0,0,2]=4
23  B5R0.2  COCCCO R0013A [1,1,0,0,0,0|0,0,2]=4
24  B5R0.2  COCCOC R0012V [1,1,0,0,0,0|2,0,0]=4
25  B5R1.1  C1CCOC1 R0019I [1,0,0,1,0,0|0,0,2]=4
26  B7R1.1  C1CCC(C1)C=O R0017D [0,1,0,1,0,0|0,0,0]=2
27  B7R1.3  CC1CCCCN1 R000XY [0,1,0,1,0,0|1,0,1]=4
28  B7R1.3  CC1CCCNC1 R00164 [0,1,0,1,0,0|1,0,1]=4
29  B7R1.3  CC1CCNCC1 R0017X [0,1,0,1,0,0|1,0,1]=4
30  B7R1.25  CC1(COC1)CO R000YW [0,1,0,1,0,0|0,0,2]=4