0  B6R0.6  CCCCCCC HP6 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.6  CCCCCCO HE2 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.6  CCCSCCO 266 [0,0,0,0,0,0|3,0,0]=3
3  B5R0.2  CCCCC=O PTL [1,0,0,0,0,0|3,0,0]=4
4  B5R0.2  CCCCCBr 5BR [1,0,0,0,0,0|3,0,0]=4
5  B5R0.2  CCCCCC HEX [1,0,0,0,0,0|2,0,0]=3
6  B5R0.2  CCCCCCl 7CL [1,0,0,0,0,0|3,0,0]=4
7  B5R0.2  CCCCCN AML [1,0,0,0,0,0|3,0,0]=4
8  B5R0.2  CCCCCO PE9 [1,0,0,0,0,0|2,1,0]=4
9  B5R0.2  CCCC[N+]#[C-] NBN [1,0,0,0,0,0|2,0,1]=4
10  B5R0.2  CCOCCO ETX [1,0,0,0,0,0|2,1,0]=4
11  B5R0.2  CNCCCN N3D [1,0,0,0,0,0|3,0,0]=4
12  B5R0.2  COCCOC DXE [1,0,0,0,0,0|0,2,0]=3
13  B7R0.1  CCCCCCCC OCT [0,1,0,0,0,0|3,0,0]=4
14  B7R0.1  CCCCCCCO HE4 [0,1,0,0,0,0|3,0,0]=4
15  B7R0.1  CCCSSCCC SSP [0,1,0,0,0,0|2,0,0]=3
16  B7R0.3  CSCC[C@@H]([C-]=O)[NH-] MET_LL [0,1,0,0,0,0|3,0,0]=4
17  B7R0.3  CSCC[C@@H]([C-]=O)[NH3+] MET_LSN3 [0,1,0,0,0,0|3,0,0]=4
18  B7R0.4  CCCCCC(=O)C HTX [0,1,0,0,0,0|3,0,0]=4
19  B7R1.7  CCCC[C@@H]1CO1 0PZ [0,0,0,1,0,0|2,1,0]=4
20  B4R0.2  C(CS)C=O MPR [2,0,0,0,0,0|2,0,0]=4
21  B4R0.2  C(CS)CS PDT [2,0,0,0,0,0|1,0,0]=3
22  B4R0.2  CCCCBr BBU [2,0,0,0,0,0|2,0,0]=4
23  B4R0.2  CCCCC LNK [2,0,0,0,0,0|1,0,0]=3
24  B4R0.2  CCCCN LYT [2,0,0,0,0,0|2,0,0]=4
25  B4R0.2  CCCCO 1BO [2,0,0,0,0,0|1,1,0]=4
26  B4R0.2  CCC[N+]#[C-] NPN [2,0,0,0,0,0|1,0,1]=4
27  B4R0.2  CCOCC ETZ [2,0,0,0,0,0|0,1,0]=3
28  B4R0.2  CCOC[O-] EOM [2,0,0,0,0,0|0,2,0]=4
29  B4R0.2  COCCO MXE [2,0,0,0,0,0|0,2,0]=4
30  B4R0.2  COCC[O-] MOE [2,0,0,0,0,0|0,2,0]=4
31  B4R0.2  [S-]SSS[S-] PS5 [2,0,0,0,0,0|2,0,0]=4
32  B6R0.1  CCS[C@H](C)SC 0AJ [1,1,0,0,0,0|0,0,0]=2
33  B6R1.1  C1CCCCC1 CHX [1,0,0,1,0,0|2,0,0]=4
34  B6R1.1  C1CCNCC1 PIP [1,0,0,1,0,0|2,0,0]=4
35  B6R1.1  C1CCOCC1 PYE [1,0,0,1,0,0|1,1,0]=4
36  B6R1.1  C1CNCCN1 PZE [1,0,0,1,0,0|2,0,0]=4
37  B6R1.1  C1COCCN1 6LR [1,0,0,1,0,0|1,1,0]=4
38  B6R1.1  C1COCCO1 DIO [1,0,0,1,0,0|0,2,0]=4
39  B6R1.1  C1COCCO1 DOX [1,0,0,1,0,0|0,2,0]=4
40  B6R1.3  COCC1CC1 09U [1,0,0,1,0,0|1,1,0]=4