0  B7R0.9  CS(=O)(=O)CC(N)=O 8163-1-00 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.5  CC(C)(C)CON 4147-5-02 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.5  CC(C)(N)CCO 4156-5-18 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.24  CC(C)(C)OC(=O)CI 2123-H-00 [0,1,0,0,0,0|3,0,0]=4
4  B8R0.29  CC(C)(S)CCC(=O)O 6161-1-10 [0,0,0,0,0,1|2,0,0]=3
5  B8R0.29  CS(C)(=O)=NCC(=O)O 8169-1-0A [0,0,0,0,0,1|2,0,0]=3
6  B5R0.4  CC(C)(Br)C=O 2115-9-03 [2,0,0,0,0,0|2,0,0]=4
7  B7R0.2  CC(C)CC(=O)CBr 2117-9-09 [1,1,0,0,0,0|2,0,0]=4
8  B7R0.2  CC(CCl)CC(=O)Cl 2116-5-20 [1,1,0,0,0,0|2,0,0]=4
9  B7R0.2  O=C(O)CC(=O)CCl 2129-5-0F [1,1,0,0,0,0|2,0,0]=4
10  B7R0.16  C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.16  CC(C)C(F)C(=O)O 2121-3-0K [1,1,0,0,0,0|1,0,0]=3
12  B7R0.16  C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [1,1,0,0,0,0|2,0,0]=4
13  B9R0.72  CNC(C(=O)O)C(C)(C)O 4157-1-56 [0,2,0,0,0,0|2,0,0]=4
14  B9R0.80  CC(C)(O)C(F)(F)C(=O)O 2129-3-45 [0,2,0,0,0,0|2,0,0]=4
15  B9R0.58  CC(C)(CC(=O)O)N=[N+]=[N-] 2142-1-02 [0,2,0,0,0,0|2,0,0]=4
16  B7R1.2  CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|2,0,0]=4
17  B7R1.12  CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.12  C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|1,0,0]=3
19  B7R1.12  C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|1,0,0]=3
20  B7R1.16  CC1(C)CC(=O)C1 2217-1-0K [1,0,0,1,0,0|2,0,0]=4
21  B7R1.17  CC1(C)CCC1=O 2217-1-0L [0,0,0,1,1,0|2,0,0]=4
22  B7R1.19  CC1(C(N)=O)CC1 4248-1-0B [0,0,0,1,1,0|2,0,0]=4
23  B9R1.51  CC(C)(C)C1CC(=O)C1 2217-1-0M [0,0,0,1,0,1|2,0,0]=4
24  B9R1.164  CC1(C)C=C(C(=O)O)C1 2421-1-09 [0,0,0,1,0,1|1,0,1]=4
25  B9R1.164  CC1(F)CC(C(=O)O)C1 2221-3-21 [0,0,0,1,0,1|2,0,0]=4
26  B9R1.164  CC1(O)CC(C(=O)O)C1 2229-1-57 [0,0,0,1,0,1|2,0,0]=4
27  B9R1.164  C[C@]1(F)C[C@@H](C(=O)O)C1 2221-3-Z1 [0,0,0,1,0,1|2,0,0]=4
28  B9R1.164  C[C@]1(F)C[C@H](C(=O)O)C1 2221-3-E1 [0,0,0,1,0,1|2,0,0]=4
29  B9R1.166  CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,1,0,1,0,0|1,0,0]=3
30  B9R1.128  O=C(O)CC1(CO)CC1 2229-1-0K [0,1,0,1,0,0|1,0,0]=3
31  B9R1.171  CC1(CC(=O)O)CCC1 2221-1-51 [0,1,0,1,0,0|1,0,0]=3
32  B9R2.139  O=C1CC2(CC2)CO1 2H25-1-2H [0,0,0,2,0,0|1,0,0]=3
33  B9R2.143  O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|1,0,0]=3