0  B10R1.66  O=C(Cl)CCC1CCCC1 C0248 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.12  CCCCC1CCCN1 B15289 [1,0,0,0,0,0|2,0,1]=4
2  B11R1.35  N[C@@H](CC1CCCC1)C(=O)O A15463 [0,1,0,0,0,0|3,0,0]=4
3  B11R1.77  NC(CC(=O)O)C1CCCO1 A14584 [0,1,0,0,0,0|2,0,0]=3
4  B9R0.43  CCC(CO)CCC(C)=O H11451 [0,0,1,0,0,0|3,0,0]=4
5  B9R1.13  CC(=O)N[C@H]1CCNC1 A18034 [0,0,0,0,1,0|3,0,0]=4
6  B9R1.13  O=C(O)CC1CCCN1 P4464 [0,0,0,0,1,0|2,0,0]=3
7  B9R1.13  O=C(O)C[C@@H]1CCCN1 H17104 [0,0,0,0,1,0|2,0,0]=3
8  B9R1.13  O=C(O)C[C@H]1CCNC1 P14085 [0,0,0,0,1,0|3,0,0]=4
9  B11R1.91  CC(=O)NCC1CCNCC1 P12461 [0,0,0,0,0,1|2,0,0]=3
10  B11R1.91  N1CCC(CCC(=O)O)CC1 P11831 [0,0,0,0,0,1|3,0,0]=4
11  B11R1.91  O=C(O)CCC1CCCCN1 P14397 [0,0,0,0,0,1|3,0,0]=4
12  B11R1.91  O=C(O)CCC1CCC[NH2+]C1 P12684 [0,0,0,0,0,1|3,0,0]=4
13  B8R0.7  CC(=O)OCCOCCl A15221 [1,0,1,0,0,0|1,0,0]=3
14  B8R1.8  CCCC1CCCN1 P17208 [2,0,0,0,0,0|1,0,1]=4
15  B10R0.3  C=C(C)CCC[C@H](C)CCO R1283 [0,1,1,0,0,0|2,0,0]=4
16  B10R1.23  N[C@@H](C(=O)O)C1CCCC1 A15405 [0,1,0,0,1,0|2,0,0]=4
17  B10R1.54  CC1CCC(CC(=O)O)N1 M4466 [0,1,0,0,1,0|2,0,0]=4
18  B10R1.64  CC1CCCC1CC(=O)O M13870 [0,1,0,0,1,0|2,0,0]=4
19  B10R1.64  NC1CCCC1CC(=O)O A12909 [0,1,0,0,1,0|2,0,0]=4
20  B10R1.266  NC(CC(=O)O)C1CCC1 A15248 [0,1,0,0,1,0|2,0,0]=4
21  B10R1.266  NC(CC(=O)O)C1CCC1 A15422 [0,1,0,0,1,0|2,0,0]=4
22  B12R1.107  NC(CC(=O)O)C1CCCOC1 A15375 [0,1,0,0,0,1|2,0,0]=4
23  B12R1.108  COC(=O)[C@H](N)CC1CCCC1 A15483 [0,2,0,0,0,0|2,0,0]=4
24  B10R1.18  CC(=O)NC1CCCNC1 P12456 [0,0,1,1,0,0|2,0,0]=4
25  B10R1.18  CC(=O)OC1CCNCC1 A15520 [0,0,1,1,0,0|2,0,0]=4
26  B10R2.99  O=CC1CC2CCC1C2 B12921 [1,0,0,1,0,0|2,0,0]=4
27  B10R2.71  O=C1CC2CCC(C1)N2 N14390 [0,0,0,1,1,0|1,0,0]=3
28  B10R2.71  O=C1CC2CCC(C1)N2 N14390 [0,0,0,1,1,0|1,0,0]=3
29  B12R2.2918  O=C1CC2(CCCCC2)CN1 P1411 [0,0,0,1,0,1|2,0,0]=4
30  B12R2.1175  O=C1CCC2(CC1)OCCO2 D7419 [0,1,0,1,0,0|2,0,0]=4
31  B12R2.1175  O=C1CCC2(CC1)OCCO2 D7419 [0,1,0,1,0,0|2,0,0]=4
32  B8R0.5  CCCC(N)CC(=O)O A14453 [0,0,1,0,1,0|2,0,0]=4
33  B8R1.7  NC(=O)[C@@H]1CCCN1 P2995 [0,0,0,0,2,0|2,0,0]=4
34  B8R1.7  O=C(O)C1CCCN1 P6294 [0,0,0,0,2,0|2,0,0]=4
35  B8R1.7  O=C(O)[C@@H]1CCCO1 T3062 [0,0,0,0,2,0|1,0,0]=3
36  B8R1.7  O=C(O)[C@H]1CCCN1 P0396 [0,0,0,0,2,0|2,0,0]=4
37  B8R1.7  O=C(O)[C@H]1CCCN1 P0396 [0,0,0,0,2,0|2,0,0]=4
38  B8R1.7  O=C(O)[C@H]1CCCO1 T6625 [0,0,0,0,2,0|1,0,0]=3
39  B8R1.7  O=C(O)[C@H]1CCCO1 T6625 [0,0,0,0,2,0|1,0,0]=3