0  B6R0.1  CCNC(=O)CBr ALBB-011962 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.1  CNCC(=O)NC ALBB-020953 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.1  CNNC(=O)OC ALBB-026575 [0,0,0,0,0,0|3,0,0]=3
3  B5R0.1  C=C(C)CNN ALBB-018582 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  CC(N)CCO ALBB-010691 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.2  CCSCCCl ALBB-008890 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.2  CNCCSC ALBB-022806 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.2  CNC(=O)CC(C)N ALBB-016475 [0,1,0,0,0,0|1,0,0]=2
8  B7R0.3  CCN(C)CCC#N ALBB-022246 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.5  CN(C)C(=O)CCN ALBB-022639 [0,1,0,0,0,0|2,0,0]=3
10  B7R0.5  CNCC(=O)N(C)C ALBB-022640 [0,1,0,0,0,0|2,0,0]=3
11  B7R0.10  CCC(C)C(N)CO ALBB-021091 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.11  CCCC(C)(O)CN ALBB-032343 [0,1,0,0,0,0|1,0,2]=4
13  B7R1.2  CC1CNC(=O)C1 ALBB-032573 [0,0,0,1,0,0|1,0,0]=2
14  B7R1.4  NC1CCNC1=O ALBB-014148 [0,0,0,1,0,0|2,0,0]=3
15  B7R1.22  O=C(CBr)C1CC1 ALBB-013287 [0,0,0,1,0,0|1,0,0]=2
16  B4R0.1  CCC(N)=S ALBB-031242 [2,0,0,0,0,0|1,1,0]=4
17  B6R0.2  CC(C)CC(C)N ALBB-021344 [1,1,0,0,0,0|1,0,1]=4
18  B6R0.4  CNCCN(C)C ALBB-021202 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.9  CCN(C#N)CC ALBB-025897 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.5  CC(C)NC(=O)CCCl ALBB-011975 [0,2,0,0,0,0|1,0,0]=3
21  B8R0.5  CC(C)NC(=O)CCN ALBB-022648 [0,2,0,0,0,0|1,0,0]=3
22  B8R0.5  CCOC(=O)CC(C)N ALBB-017787 [0,2,0,0,0,0|0,0,0]=2
23  B8R0.5  COCC(=O)CC(C)=O ALBB-028826 [0,2,0,0,0,0|0,0,1]=3
24  B8R0.23  CC(=O)CC(=O)C(C)C ALBB-013562 [0,2,0,0,0,0|0,0,1]=3
25  B8R0.23  CC(C)NC(=O)C(C)Cl ALBB-011973 [0,2,0,0,0,0|1,0,0]=3
26  B8R0.23  CC(C)NC(=O)C(C)N ALBB-022647 [0,2,0,0,0,0|1,0,0]=3
27  B8R0.1  C=CCNC(=O)CCCl ALBB-011967 [0,2,0,0,0,0|0,0,2]=4
28  B8R0.1  CCOC(=O)CN=C=O ALBB-003054 [0,2,0,0,0,0|1,0,1]=4
29  B8R0.3  CCOC(=O)[C@@H](N)CS ALBB-021315 [0,2,0,0,0,0|1,0,0]=3
30  B8R0.6  CCCCNC(=O)CCl ALBB-021024 [0,2,0,0,0,0|1,0,0]=3
31  B8R0.8  C=CCNC(=O)C(C)Cl ALBB-011965 [0,2,0,0,0,0|0,0,2]=4
32  B8R0.9  CC(C)CNC(=O)CBr ALBB-011966 [0,2,0,0,0,0|1,0,0]=3
33  B8R0.9  CCC(=O)NCC(=O)O ALBB-009543 [0,2,0,0,0,0|1,0,1]=4
34  B8R0.14  CCOC(=O)C(C)(C)N ALBB-021343 [0,2,0,0,0,0|1,0,0]=3
35  B6R1.6  CNC1CCC1 ALBB-018311 [1,0,0,1,0,0|1,0,1]=4
36  B8R1.1  CN1CCC(CN)C1 ALBB-022638 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.1  NCC1CCC(=O)N1 ALBB-003722 [0,1,0,1,0,0|1,0,0]=3
38  B8R1.5  O=C1OCCCC1Br ALBB-030719 [0,1,0,1,0,0|1,0,0]=3
39  B8R1.52  CCC1(O)CCNC1 ALBB-026596 [0,1,0,1,0,0|0,0,2]=4
40  B8R1.7  CC(C)N1CCCC1 ALBB-013523 [0,1,0,1,0,0|2,0,0]=4
41  B8R1.11  CN1CCCC1CN ALBB-012270 [0,1,0,1,0,0|2,0,0]=4