0  B4R0.1  CC(=O)NC R000SZ [1,0,0,0,0,0|1,0,0]=2
1  B4R0.2  C=CCCBr R0018Q [1,0,0,0,0,0|2,0,1]=4
2  B4R0.2  CC#CCBr R0016L [1,0,0,0,0,0|2,0,1]=4
3  B4R0.2  CC#CCO R0017Q [1,0,0,0,0,0|2,0,1]=4
4  B6R0.1  CC#CC(=O)OC R0015G [0,1,0,0,0,0|1,0,1]=3
5  B6R0.2  CC(C)NC(C)C R000U7 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.3  CC(C(=O)O)NC R000ZY [0,1,0,0,0,0|3,0,0]=4
7  B6R0.3  CCN(C)C(=O)Cl R000ZP [0,1,0,0,0,0|2,0,0]=3
8  B6R0.3  C[C@@H](C(=O)O)NC R00100 [0,1,0,0,0,0|3,0,0]=4
9  B6R0.3  C[C@H](C(=O)O)NC R000ZZ [0,1,0,0,0,0|3,0,0]=4
10  B3R0.2  CN(C)C R001AQ [2,0,0,0,0,0|2,0,0]=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|1,1,0]=4
13  B5R0.3  CCC(CC)N R000SG [1,1,0,0,0,0|1,0,1]=4
14  B5R0.4  CCS(=O)(=O)C R000V3 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.5  CC(C(=O)Cl)Cl R0014V [1,1,0,0,0,0|1,0,0]=3
16  B5R0.2  CCC#CCBr R0014Z [1,1,0,0,0,0|1,0,1]=4
17  B5R0.2  COCCCO R0012O [1,1,0,0,0,0|2,0,0]=4
18  B5R0.2  COCCCO R0013A [1,1,0,0,0,0|2,0,0]=4
19  B5R0.2  COCCOC R0012V [1,1,0,0,0,0|2,0,0]=4
20  B7R0.3  CCC#CC(=O)OC R0015I [0,2,0,0,0,0|1,0,0]=3
21  B7R0.3  COC(=O)CCC=O R0013M [0,2,0,0,0,0|1,0,1]=4
22  B7R0.7  CCOC(=O)C#CC R0018N [0,2,0,0,0,0|0,1,0]=3
23  B7R0.7  CCOC(=O)CNC R000U2 [0,2,0,0,0,0|0,1,0]=3
24  B5R1.1  C1CCOC1 R0019I [1,0,0,1,0,0|0,1,1]=4
25  B7R1.1  C1CCC(C1)C=O R0017D [0,1,0,1,0,0|1,0,1]=4
26  B7R1.3  C=C1CCNCC1 R000V4 [0,1,0,1,0,0|2,0,0]=4