0  B8R0.9  CCN(C)CCC(=O)O 4027808 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.9  CCN(C)CCC(=O)O 4089689 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.9  CCS(=O)CCC(=O)O 4027513 [0,0,0,0,0,0|2,0,2]=4
3  B7R0.4  C=CCSCC(=O)O 4026839 [1,0,0,0,0,0|1,0,0]=2
4  B7R0.4  CCCOCC(=O)O 4020861 [1,0,0,0,0,0|1,0,2]=4
5  B7R0.4  CCCSCC(=O)O 4028731 [1,0,0,0,0,0|1,0,2]=4
6  B7R0.4  CCSCCC(=O)O 4028457 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.6  CC(C)NCC(=O)O 4028411 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.6  CC(C)OCC(=O)O 4020858 [1,0,0,0,0,0|2,0,1]=4
9  B7R0.6  CC(C)SCC(=O)O 4028613 [1,0,0,0,0,0|2,0,1]=4
10  B9R0.64  CC(C)(C#N)CCC(=O)O 4110676 [0,1,0,0,0,0|2,0,1]=4
11  B9R1.84  O=C(O)CCC1CCC1 4030352 [0,0,0,1,0,0|1,0,2]=4
12  B7R0.2  CNC(C)CC(=O)O 4035495 [0,0,0,0,1,0|2,0,1]=4
13  B6R0.4  CNCCC(=O)O 4036102 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.4  NC(=O)CCCCl 4028442 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.6  C=CCCCCN 4067494 [2,0,0,0,0,0|1,0,1]=4
16  B8R0.7  C\C=C\CCCC(=O)O 4074621 [1,1,0,0,0,0|0,0,0]=2
17  B8R0.28  NC(=O)CCCC(=O)O 4027348 [1,1,0,0,0,0|1,0,0]=3
18  B8R0.28  NC(=O)COCC(=O)O 4026979 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.28  NC(=O)CSCC(=O)O 4029864 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.29  CC(C)(C)CCC(=O)O 4027662 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.29  CC(C)(N)CCC(=O)O 4020441 [1,1,0,0,0,0|0,0,1]=3
22  B8R0.34  C=CC(C)(C)CC(=O)O 4032003 [0,1,0,0,1,0|1,0,0]=3
23  B10R0.115  COC(=O)CCC(C)(C)C=O 4110678 [0,2,0,0,0,0|2,0,0]=4
24  B8R1.1  NCC1CCC(=O)N1 4110532 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.1  O=C1CCC(CI)N1 4110716 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.7  O=C(O)C1CCCS1 4045536 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.34  O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|0,0,2]=4
28  B8R1.23  O=C(O)[C@H]1C[C@H](O)C1 4079353 [1,0,0,1,0,0|1,0,1]=4
29  B8R1.77  CC1(C)CC1C(=O)O 4031328 [1,0,0,1,0,0|1,0,1]=4
30  B10R1.66  O=C(O)CCC1=CC=NO1 4018161 [0,1,0,1,0,0|0,0,2]=4
31  B10R1.66  O=C(O)CCC1=CNN=C1 4014470 [0,1,0,1,0,0|1,0,1]=4
32  B10R1.66  O=C(O)CCC1=CSC=C1 4014842 [0,1,0,1,0,0|1,0,1]=4
33  B10R1.66  O=C(O)CCN1C=CC=C1 4027042 [0,1,0,1,0,0|2,0,0]=4
34  B10R1.66  O=C(O)CCN1C=CC=N1 4004233 [0,1,0,1,0,0|1,0,1]=4
35  B10R1.66  O=C(O)CCN1C=CC=N1 4089879 [0,1,0,1,0,0|1,0,1]=4
36  B10R1.66  O=C(O)CCN1C=CN=C1 4033868 [0,1,0,1,0,0|1,0,1]=4
37  B10R1.66  O=C(O)CCN1C=NC=N1 4003106 [0,1,0,1,0,0|1,0,1]=4
38  B6R0.2  NC(=O)CC(=O)O 4027194 [1,0,0,0,1,0|1,0,1]=4