0  B6R0.2  CC(=O)CC(C)N 4022442 [0,0,0,0,0,0|2,0,2]=4
1  B6R0.2  CC(=O)CC(C)N 4089784 [0,0,0,0,0,0|2,0,2]=4
2  B6R0.2  CC(C)CC(=N)N 4089840 [0,0,0,0,0,0|2,0,2]=4
3  B7R0.2  CNC(C)CC(=O)O 4090195 [0,1,0,0,0,0|0,0,2]=3
4  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,0|1,0,1]=3
5  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,0|1,0,1]=3
6  B7R1.2  CC1=COC(C)=C1 4091270 [0,0,0,1,0,0|1,0,1]=3
7  B7R1.2  CC1=NOC(Br)=N1 4036004 [0,0,0,1,0,0|3,0,0]=4
8  B5R0.5  O=C(O)C(=O)O 4034715 [0,0,0,0,1,0|2,0,0]=3
9  B6R0.4  CNCCC(=O)O 4088781 [1,1,0,0,0,0|0,0,2]=4
10  B8R0.23  CC(C)C(N)CC(=O)O 3020223 [0,1,0,0,0,1|0,0,2]=4
11  B8R0.23  CC(C)[C@H](N)CC(=O)O 4106166 [0,1,0,0,0,1|0,0,2]=4
12  B8R0.23  CC(CC(=O)O)N(C)C 4088130 [0,1,0,0,0,1|1,0,1]=4
13  B8R0.23  CC(CN(C)C)C(=O)O 4090277 [0,1,0,0,0,1|1,0,1]=4
14  B8R0.29  CC(C)(N)CCC(=O)O 4090529 [0,1,0,0,0,1|0,0,2]=4
15  B8R0.2  COC(=O)C(=O)C(C)C 4045773 [0,2,0,0,0,0|0,0,1]=3
16  B8R0.16  CCN(CC)CC(=O)O 4088211 [0,2,0,0,0,0|1,0,1]=4
17  B8R1.3  CC1=CN=C(O)N=C1 4090925 [0,0,0,1,0,1|1,0,1]=4
18  B8R1.1  CC1=CC(CN)=NO1 4003548 [0,1,0,1,0,0|2,0,0]=4
19  B8R1.1  CC1=CNC(C=O)=C1 4036719 [0,1,0,1,0,0|1,0,1]=4
20  B8R1.18  CC1=C(C)OC(N)=N1 4090608 [0,1,0,1,0,0|2,0,0]=4