0  B6R0.2  C[C@H](O)CN(C)C AT22519 [0,0,0,0,0,0|2,0,2]=4
1  B6R0.2  O=C(O)CC(F)F P18472 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.1  CN(C)NC=O 20013 [1,0,0,0,0,0|2,0,0]=3
3  B7R1.2  C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|0,0,2]=3
4  B7R1.2  C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|0,0,2]=3
5  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,1,0,0|0,0,2]=3
6  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,1,0,0|0,0,2]=3
7  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,1,0,0|1,0,2]=4
8  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,1,0,0|1,0,2]=4
9  B7R1.12  O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,1,0,0|1,0,2]=4
10  B4R0.1  C=C[C@H](C)N N11431 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.3  C=CC(=O)C(=O)O AC9460 [1,1,0,0,0,0|0,0,1]=3
12  B6R0.3  C=C[C@H](N)C(=O)O F31036 [1,1,0,0,0,0|0,0,2]=4
13  B6R0.4  O=C(O)\C=C\CF AT12709 [1,1,0,0,0,0|0,0,0]=2
14  B6R0.4  O=C(O)\C=C\CO AT11505 [1,1,0,0,0,0|0,0,0]=2
15  B8R0.23  C=C(CC(C)C)C(=O)O W18790 [0,1,0,0,0,1|0,0,1]=3
16  B8R0.23  CC(=O)\C=C(/C)N(C)C D80987 [0,1,0,0,0,1|2,0,0]=4
17  B8R0.29  CS(C)(=O)=NCC(=O)O C77465 [0,1,0,0,0,1|1,0,1]=4
18  B8R0.2  CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,2,0,0,0,0|0,0,2]=4
19  B8R0.34  CC(C)(CN)CC(=O)O C11423 [0,2,0,0,0,0|0,0,2]=4
20  B8R0.27  CC(C)(F)[C@H](N)C(=O)O D79269 [0,2,0,0,0,0|0,0,2]=4
21  B8R0.18  CO[C@H](C(=O)O)C(C)C 96142 [0,2,0,0,0,0|0,0,2]=4
22  B6R1.2  BrC1=CC=NO1 A51037 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.3  O=C1C=CC(Br)=CO1 D86222 [0,0,0,1,0,1|1,0,1]=4
24  B8R1.23  C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,1,0,1|0,0,2]=4
25  B8R1.23  C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,1,0,1|0,0,2]=4
26  B8R1.1  CC[C@H]1COC(=O)N1 D75525 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.1  O=C1C[C@H](CO)CO1 72726 [0,1,0,1,0,0|0,0,2]=4
28  B8R1.4  CC1=CCCC(=O)C1 D79894 [0,1,0,1,0,0|1,0,1]=4
29  B8R1.31  CC1CCC1C(=O)O D96793 [0,1,0,1,0,0|0,0,2]=4
30  B8R1.34  O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|0,0,2]=4
31  B8R1.43  O=C(O)C1CC1CF P19356 [0,1,0,1,0,0|0,0,2]=4