0  B9R0.7  CC(=O)COC(=O)C(C)Cl Molport-047-739-908 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.7  CC(=O)N/N=C(\C)/C(C)C Molport-001-489-283 [0,0,0,0,0,0|4,0,0]=4
2  B9R0.7  CC(C)C(=O)NCC(=O)O Molport-003-739-435 [0,0,0,0,0,0|1,0,2]=3
3  B9R0.7  CN(C)C(=O)CCC(=O)O Molport-000-385-099 [0,0,0,0,0,0|3,0,1]=4
4  B9R0.7  CN(C)C(=O)NCC(=O)O Molport-006-068-738 [0,0,0,0,0,0|2,0,2]=4
5  B9R0.7  C[C@@H](S)C(=O)NCC(=O)O Molport-051-762-519 [0,0,0,0,0,0|0,0,2]=2
6  B8R0.9  CCS(=O)CCC(=O)O Molport-006-066-897 [1,0,0,0,0,0|2,0,1]=4
7  B8R0.9  CNC(=O)CCC(=O)O Molport-000-385-098 [1,0,0,0,0,0|2,0,1]=4
8  B8R0.9  COC(=O)CCC(=O)O Molport-000-141-742 [1,0,0,0,0,0|2,0,1]=4
9  B8R0.9  O=C(O)CNC(=O)CCl Molport-000-474-978 [1,0,0,0,0,0|1,0,2]=4
10  B8R0.28  CC(C)CNCC(=O)O Molport-005-231-062 [1,0,0,0,0,0|1,0,2]=4
11  B10R0.12  CC(C)(C)C(=O)NCC(=O)O Molport-002-468-288 [0,1,0,0,0,0|1,0,2]=4
12  B10R0.57  N[C@@H](CS)C(=O)NCC(=O)O Molport-047-153-184 [0,1,0,0,0,0|1,0,2]=4
13  B10R1.58  CC1=C(SC(=N1)C(=O)O)C Molport-004-813-095 [0,0,0,1,0,0|1,0,2]=4
14  B10R1.58  CN1N=C(N=C1O)C(=O)O Molport-022-520-681 [0,0,0,1,0,0|2,0,1]=4
15  B10R1.58  N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Molport-046-472-523 [0,0,0,1,0,0|2,0,1]=4
16  B10R1.120  CC1=NNC(=O)OC1(C)C Molport-002-743-075 [0,0,0,1,0,0|3,0,0]=4
17  B10R1.211  O=C(O)CNC(=O)C1CC1 Molport-003-739-436 [0,0,0,1,0,0|1,0,2]=4
18  B8R0.23  CC(C)C(O)CC(=O)O Molport-008-643-640 [0,0,0,0,1,0|1,0,1]=3
19  B10R0.96  CC(C)NC(=O)NCC(=O)O Molport-004-303-706 [0,0,0,0,0,1|1,0,2]=4
20  B10R0.98  CC(C)C(=O)NCCC(=O)O Molport-003-739-875 [0,0,0,0,0,1|1,0,2]=4
21  B7R0.4  CCCOCC(=O)O Molport-009-200-571 [2,0,0,0,0,0|1,0,1]=4
22  B7R0.4  O=C(O)CCCCS Molport-013-659-967 [2,0,0,0,0,0|1,0,1]=4
23  B7R0.6  O=[13C](O)CC[13C](=O)O Molport-003-934-537 [2,0,0,0,0,0|1,1,0]=4
24  B9R0.48  CCCC(=O)NCC(=O)O Molport-003-739-434 [1,1,0,0,0,0|0,0,2]=4
25  B9R0.48  COCC(=O)NCC(=O)O Molport-004-296-086 [1,1,0,0,0,0|0,0,2]=4
26  B11R1.74  O=C(O)[C@@H]1CC(=NC(=N1)O)O Molport-051-762-653 [0,0,0,1,0,1|0,1,1]=4
27  B7R0.2  CCC(N)CC(=O)O Molport-006-709-500 [1,0,0,0,1,0|1,0,1]=4
28  B7R0.2  CC[C@H](N)CC(=O)O Molport-042-923-473 [1,0,0,0,1,0|1,0,1]=4
29  B7R0.2  CNC(=O)CC(=O)O Molport-006-068-736 [1,0,0,0,1,0|1,0,1]=4
30  B7R0.2  NC[C@H](O)CC(=O)O Molport-003-936-295 [1,0,0,0,1,0|1,0,1]=4
31  B7R0.16  C=C(C(=O)O)C(C)C Molport-022-878-877 [0,0,0,0,2,0|2,0,0]=4