0  B6R0.2  CC(=O)CC(C)N 4022442 [0,0,0,0,0,0|1,0,2]=3
1  B6R0.2  CC(=O)CC(C)N 4089784 [0,0,0,0,0,0|1,0,2]=3
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|1,0,2]=4
4  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,0|2,0,1]=4
5  B7R0.16  C[C@@H](N)C(=O)N(C)C 4082759 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,0|2,0,1]=4
7  B7R0.16  C[C@H](N)C(=O)N(C)C 4059620 [0,1,0,0,0,0|2,0,1]=4
8  B7R1.2  CC1=COC(C)=C1 4091270 [0,0,0,1,0,0|0,0,2]=3
9  B5R0.5  O=C(O)C(=O)O 4034715 [0,0,0,0,1,0|3,0,0]=4
10  B8R0.2  COC(=O)C(=O)C(C)C 4045773 [0,2,0,0,0,0|0,0,1]=3
11  B6R1.2  NC1C=CCC1 4068828 [1,0,0,1,0,0|1,0,1]=4
12  B8R1.1  CC1=CC(CN)=NO1 4003548 [0,1,0,1,0,0|1,0,1]=4
13  B8R1.1  CC1=CNC(C=O)=C1 4036719 [0,1,0,1,0,0|1,0,1]=4
14  B8R1.1  CC1=NNC(CN)=C1 4090142 [0,1,0,1,0,0|2,0,0]=4
15  B8R1.1  CCC1CCC(=O)N1 4027451 [0,1,0,1,0,0|1,0,1]=4
16  B8R1.1  NCC1CCC(=O)N1 4111537 [0,1,0,1,0,0|1,0,1]=4
17  B8R1.1  O=C1CCC(CCl)O1 4035082 [0,1,0,1,0,0|1,0,1]=4
18  B8R1.4  CC1CNCC(=O)N1 4049339 [0,1,0,1,0,0|1,0,1]=4
19  B8R1.4  C[C@H]1CNCC(=O)N1 4057204 [0,1,0,1,0,0|1,0,1]=4
20  B8R1.4  O=C1CNCC(=O)N1 4090724 [0,1,0,1,0,0|2,0,0]=4
21  B8R1.40  NCC(=O)NC1CC1 4088865 [0,1,0,1,0,0|1,0,1]=4
22  B8R1.50  CC1=NNC(C)=C1F 3001804 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.50  CC1=NNC(C)=C1I 3002644 [0,1,0,1,0,0|2,0,0]=4