0  B6R0.1  CC[C@H](C)\C=N/O C20312 [0,0,0,0,0,0|2,1,0]=3
1  B6R0.1  CC[C@H](C)\C=N\O C19491 [0,0,0,0,0,0|2,1,0]=3
2  B5R0.1  CC(C)CC=O C07329 [1,0,0,0,0,0|1,1,1]=4
3  B5R0.1  CC(C)CCN C02640 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.1  CC(C)CCO C07328 [1,0,0,0,0,0|1,1,1]=4
5  B5R0.1  CC(C)CNO C21369 [1,0,0,0,0,0|2,1,0]=4
6  B5R0.1  CC(C)\C=N/O C20315 [1,0,0,0,0,0|2,1,0]=4
7  B5R0.1  CC(C)\C=N\O C03219 [1,0,0,0,0,0|2,1,0]=4
8  B5R0.2  C=CCN=C=S C19317 [1,0,0,0,0,0|0,0,2]=3
9  B5R0.2  CCCCCC C11271 [1,0,0,0,0,0|2,0,1]=4
10  B5R0.2  CCCCCO C16834 [1,0,0,0,0,0|1,1,1]=4
11  B5R0.3  CCC(C)C#N C21525 [1,0,0,0,0,0|1,0,1]=3
12  B5R0.3  CCC(C)C=O C02223 [1,0,0,0,0,0|0,1,1]=3
13  B5R0.3  CCN(C)N=O C19281 [1,0,0,0,0,0|1,1,0]=3
14  B5R0.3  CN(CO)N=O C20301 [1,0,0,0,0,0|2,1,0]=4
15  B7R0.10  [*]SC(=O)[C@@H](C)CC C21129 [0,1,0,0,0,0|3,0,0]=4
16  B4R0.1  CC(C)=NO C01995 [2,0,0,0,0,0|0,1,1]=4
17  B4R0.1  CC(C)C#N C02420 [2,0,0,0,0,0|1,0,1]=4
18  B4R0.1  CC(C)CN C02787 [2,0,0,0,0,0|1,0,1]=4
19  B4R0.1  CC(C)CO C14710 [2,0,0,0,0,0|0,1,1]=4
20  B4R0.1  CC(Cl)CCl C19034 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.1  CC(O)CN C05771 [2,0,0,0,0,0|1,1,0]=4
22  B4R0.1  CC(O)CO C00583 [2,0,0,0,0,0|1,1,0]=4
23  B4R0.1  CCC(C)=O C02845 [2,0,0,0,0,0|0,1,1]=4
24  B4R0.1  CCC(C)N C18706 [2,0,0,0,0,0|0,0,1]=3
25  B4R0.1  CN(C)N=O C14704 [2,0,0,0,0,0|1,1,0]=4
26  B4R0.1  C[C@@H](O)CN C03194 [2,0,0,0,0,0|1,1,0]=4
27  B4R0.1  C[C@@H](O)CO C02912 [2,0,0,0,0,0|1,1,0]=4
28  B4R0.1  C[C@H](O)CO C02917 [2,0,0,0,0,0|1,1,0]=4
29  B4R0.1  [*]CC([*])C C19505 [2,0,0,0,0,0|2,0,0]=4
30  B4R0.2  CCCC=O C01412 [2,0,0,0,0,0|0,1,1]=4
31  B4R0.2  CCCCO C06142 [2,0,0,0,0,0|0,1,1]=4
32  B6R0.2  CC(C)OC(=S)S C19127 [1,1,0,0,0,0|1,0,1]=4
33  B6R0.4  C(=N/OC)C(C)C C03982 [1,1,0,0,0,0|2,0,0]=4
34  B6R0.8  CC[C@@](C)(O)C#N C18796 [1,1,0,0,0,0|1,0,1]=4
35  B6R0.9  CCN(CC)N=O C14422 [1,1,0,0,0,0|1,1,0]=4
36  B6R1.1  C1=NCCCC1 C06181 [1,0,0,1,0,0|1,0,1]=4