0  B6R0.1  CCS[C@H](C)SC 0AJ [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  CC(C)CCN LEN [1,0,0,0,0,0|2,0,1]=4
2  B5R0.1  CC(C)CCO IP3 [1,0,0,0,0,0|1,1,1]=4
3  B5R0.2  C(CO)N=[N+]=[N-] AE9 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.2  CCC/C=N\O BXO [1,0,0,0,0,0|2,1,0]=4
5  B5R0.2  CCCCC=O PTL [1,0,0,0,0,0|1,1,1]=4
6  B5R0.2  CCCCCBr 5BR [1,0,0,0,0,0|2,0,1]=4
7  B5R0.2  CCCCCC HEX [1,0,0,0,0,0|2,0,1]=4
8  B5R0.2  CCCCCCl 7CL [1,0,0,0,0,0|2,0,1]=4
9  B5R0.2  CCCCCN AML [1,0,0,0,0,0|2,0,1]=4
10  B5R0.2  CCCCCO PE9 [1,0,0,0,0,0|1,1,1]=4
11  B5R0.2  CCCC[N+]#[C-] NBN [1,0,0,0,0,0|3,0,0]=4
12  B5R0.3  CCC(CC)N D0M [1,0,0,0,0,0|2,0,1]=4
13  B5R0.3  CC[C@H](C)CN DCI [1,0,0,0,0,0|1,0,1]=3
14  B5R0.3  CC[C@H](C)CN MBA [1,0,0,0,0,0|1,0,1]=3
15  B7R0.7  CC(CCO)CCO 40S [0,1,0,0,0,0|1,1,1]=4
16  B7R0.10  CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL [0,1,0,0,0,0|1,1,1]=4
17  B7R0.10  CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 [0,1,0,0,0,0|1,1,1]=4
18  B4R0.1  CC(C)C=O 5OZ [2,0,0,0,0,0|0,1,1]=4
19  B4R0.1  CC(C)CN IBN [2,0,0,0,0,0|1,0,1]=4
20  B4R0.1  CC[C@H](C)O SBT [2,0,0,0,0,0|0,1,0]=3
21  B4R0.1  C[C@@H](CBr)O EBH [2,0,0,0,0,0|1,1,0]=4
22  B4R0.1  C[C@@H](CCl)Cl CP2 [2,0,0,0,0,0|2,0,0]=4
23  B4R0.1  C[C@@H](CO)N 2A1 [2,0,0,0,0,0|1,0,1]=4
24  B4R0.1  C[C@@H](CO)O PGO [2,0,0,0,0,0|1,1,0]=4
25  B4R0.1  C[C@@H](CO)O PGQ [2,0,0,0,0,0|1,1,0]=4
26  B4R0.1  C[C@H](CBr)O 1BP [2,0,0,0,0,0|1,1,0]=4
27  B4R0.1  C[C@H](CO)N 2A3 [2,0,0,0,0,0|1,0,1]=4
28  B4R0.1  C[C@H](CO)O HP3 [2,0,0,0,0,0|1,1,0]=4
29  B4R0.1  C[C@H](CO)O PGR [2,0,0,0,0,0|1,1,0]=4
30  B4R0.1  C[C@H](C[NH3+])O FOP [2,0,0,0,0,0|1,1,0]=4
31  B4R0.2  CC/C=N\O PXO [2,0,0,0,0,0|0,1,1]=4
32  B4R0.2  CCCCBr BBU [2,0,0,0,0,0|1,0,1]=4
33  B4R0.2  CCCCC LNK [2,0,0,0,0,0|1,0,1]=4
34  B4R0.2  CCCCN LYT [2,0,0,0,0,0|1,0,1]=4
35  B4R0.2  CCCCO 1BO [2,0,0,0,0,0|0,1,1]=4
36  B4R0.2  CCC[N+]#[C-] NPN [2,0,0,0,0,0|0,0,2]=4