0  B5R0.1  COCC(=N)N 4091089 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.2  CC(=O)CC(C)N 4022442 [0,1,0,0,0,0|0,0,2]=3
2  B6R0.2  CC(=O)CC(C)N 4089784 [0,1,0,0,0,0|0,0,2]=3
3  B6R0.3  CNC(=O)C(C)N 4088228 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.3  CNC(=O)[C@@H](C)N 4055906 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.3  CN[C@@H](C)C(N)=O 4077652 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.3  CN[C@H](C)C(N)=O 4076581 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.4  CNCCC(=O)O 4088781 [0,1,0,0,0,0|1,0,2]=4
8  B6R0.4  CNCCC(N)=O 4090391 [0,1,0,0,0,0|1,0,2]=4
9  B6R1.2  BrC1=CC=NS1 4047938 [0,0,0,1,0,0|2,1,0]=4
10  B6R1.2  IC1=CC=NS1 4075854 [0,0,0,1,0,0|2,1,0]=4
11  B6R1.2  NC1=NNC=C1 3002058 [0,0,0,1,0,0|3,0,0]=4
12  B6R1.2  NC1C=CCC1 4068828 [0,0,0,1,0,0|1,0,1]=3
13  B5R0.3  C=C(CC)CN 4074283 [1,1,0,0,0,0|1,0,1]=4
14  B5R0.3  C=CC(O)CN 4055871 [1,1,0,0,0,0|0,0,2]=4
15  B5R0.3  CNC(=O)CN 4089909 [1,1,0,0,0,0|1,0,0]=3
16  B5R0.5  O=C(O)C(=O)O 4034715 [1,1,0,0,0,0|2,0,0]=4
17  B7R0.3  CCC(=O)NCCN 4028425 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.3  CNC(=O)CCCN 4089383 [0,2,0,0,0,0|0,0,2]=4
19  B7R0.3  CNCCC(=O)NC 4088709 [0,2,0,0,0,0|0,0,2]=4
20  B7R0.10  CCC(N)C(=O)NC 4090715 [0,2,0,0,0,0|0,0,2]=4
21  B7R0.10  CNC(=O)[C@@H](C)NC 4058453 [0,2,0,0,0,0|1,0,1]=4
22  B7R0.10  CNC(=O)[C@H](C)NC 4051973 [0,2,0,0,0,0|1,0,1]=4
23  B7R0.10  CN[C@@H](C)C(=O)OC 4063702 [0,2,0,0,0,0|1,0,1]=4
24  B7R0.10  CN[C@H](C)C(=O)OC 4068255 [0,2,0,0,0,0|1,0,1]=4
25  B7R1.1  CCC1C=CCN1 4090190 [0,1,0,1,0,0|1,0,1]=4
26  B7R1.1  NCC1=CC=NN1 4088066 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.1  NCC1=NOC=C1 2102253 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.1  NCC1=NOC=C1 4088492 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.1  O=CC1=CC=NS1 4030495 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.2  CC1=COC(C)=C1 4091270 [0,1,0,1,0,0|0,0,1]=3
31  B7R1.2  CC1=NN(C)C=C1 3020421 [0,1,0,1,0,0|1,0,0]=3
32  B7R1.3  NC1C=CCCC1 4075151 [0,1,0,1,0,0|1,0,1]=4
33  B7R1.3  NC1CC=CCC1 4110793 [0,1,0,1,0,0|1,0,1]=4
34  B7R1.4  CC1=C(N)C=NN1 4088796 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.4  NC1CCNC1=O 4019954 [0,1,0,1,0,0|1,0,1]=4
36  B7R1.4  N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|1,0,1]=4
37  B7R1.4  N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|1,0,1]=4