0  B7R0.3  CNC(=O)CCCO F10217 [1,0,0,0,0,0|2,0,0]=3
1  B9R0.3  CCCOC(=O)C(C)(C)N D86266 [0,1,0,0,0,0|3,0,0]=4
2  B9R0.42  C=C(C)C(=O)O[C@@H](C)CO D93504 [0,1,0,0,0,0|2,0,1]=4
3  B9R1.5  C[C@@H]1NCCCNC1=O Y14885 [0,0,0,1,0,0|2,0,0]=3
4  B9R1.5  C[C@H]1CNCCCC1=O 73108 [0,0,0,1,0,0|3,0,0]=4
5  B9R1.5  N[C@H]1COCCNC1=O 58513 [0,0,0,1,0,0|1,0,0]=2
6  B9R1.5  O=C1CCCNC[C@@H]1F 72716 [0,0,0,1,0,0|3,0,0]=4
7  B9R1.6  C[C@H](O)[C@@H]1CNCCN1 79803 [0,0,0,1,0,0|2,0,1]=4
8  B9R1.69  C[C@@H]1OC(=O)COC1=O D75679 [0,0,0,1,0,0|1,0,2]=4
9  B9R1.69  C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.69  C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,0,0,1,0,0|2,0,0]=3
11  B9R1.106  CC1(C)C(=O)NC[C@@H]1N P17639 [0,0,0,1,0,0|2,0,0]=3
12  B9R1.106  O=C1NC[C@H](O)C1(F)F AT14973 [0,0,0,1,0,0|2,0,0]=3
13  B6R0.4  C[C@H](Cl)CCCO AC5969 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.4  O=C(O)\C=C\CO AT11505 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.3  CC(C)C(=O)CN AT23528 [2,0,0,0,0,0|2,0,0]=4
16  B10R0.57  N[C@@H](CS)C(=O)NCC(=O)O C15199 [0,2,0,0,0,0|1,0,1]=4
17  B8R1.1  CC[C@H]1COC(=O)N1 D75525 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.1  O=C1C[C@H](CO)CO1 72726 [1,0,0,1,0,0|2,0,0]=4
19  B8R1.1  O=C1NC[C@H](CO)O1 P14223 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.3  C[C@@H]1CC[C@H](O)CN1 73248 [1,0,0,1,0,0|1,0,1]=4
21  B8R1.3  O=C1CCC(=O)NC1 65254 [1,0,0,1,0,0|0,0,2]=4
22  B8R1.22  C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.38  COC(=O)[C@@H]1CCO1 D96911 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.4  O[C@@H]1CNC[C@@H](O)C1 P19870 [1,0,0,1,0,0|0,0,1]=3
25  B8R1.4  O[C@@H]1CNC[C@H](O)C1 C77406 [1,0,0,1,0,0|0,0,1]=3
26  B8R1.6  NC1CN(CCO)C1 P18354 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.19  CC1(C)CNC[C@@H]1O W16893 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.72  C[C@]1(O)CCCNC1 AT10307 [1,0,0,1,0,0|1,0,1]=4
29  B8R1.72  C[C@]1(O)CCCNC1 D97149 [1,0,0,1,0,0|1,0,1]=4
30  B10R1.36  O=C1N[C@@H](CO)CC1(F)F C74323 [0,1,0,1,0,0|1,0,0]=3
31  B10R1.58  O=C1N[C@@H](C(=O)O)C[C@@H]1F P21044 [0,1,0,1,0,0|1,0,1]=4
32  B10R1.114  CN1CCNC(=O)C1(C)C D82321 [0,1,0,1,0,0|2,0,0]=4
33  B10R2.178  O=C1NCC2CCC1C2 C73267 [0,0,0,2,0,0|2,0,0]=4
34  B10R2.178  O=C1NCC2CC[C@@H]1N2 I10808 [0,0,0,2,0,0|2,0,0]=4
35  B10R2.422  N[C@H]1CNC(=O)C12CC2 D73381 [0,0,0,2,0,0|2,0,0]=4