0  B30R3.5558163440  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)N[C@@H](C)CO)C Molport-005-909-732 [0,0,0,0,0,0|0,0,0]=0
1  B30R3.5558163440  CCC(C)NC(=O)COC1=C2C(=C(C(=O)OC2=C3CCC(OC3=C1)(C)C)C)C Molport-001-683-908 [0,0,0,0,0,0|1,0,0]=1
2  B29R3.1732261200  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)NCCO)C Molport-002-535-852 [1,0,0,0,0,0|0,0,0]=1
3  B29R3.4859401217  CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC(C)CO)(C)C Molport-044-432-090 [1,0,0,0,0,0|0,0,0]=1
4  B29R3.4859401217  CCC(C)NC(=O)COC1=C2C(=CC(=O)OC2=C3CCC(OC3=C1)(C)C)C Molport-002-532-921 [1,0,0,0,0,0|1,0,0]=2
5  B29R3.8777975902  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)NC(C)C)C Molport-001-683-861 [1,0,0,0,0,0|0,0,0]=1
6  B31R3.6488064510  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)N[C@@H](C)C(=O)O)C Molport-002-534-854 [0,1,0,0,0,0|0,0,1]=2
7  B31R3.6267587231  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)NCC(O)CO)C Molport-002-536-239 [0,0,0,0,0,1|1,0,0]=2
8  B28R3.1360159372  CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCCO)(C)C Molport-000-846-088 [2,0,0,0,0,0|0,0,0]=2
9  B28R3.3844804466  CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC(C)C)(C)C Molport-002-533-058 [2,0,0,0,0,0|0,0,0]=2
10  B30R3.2560070622  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)NCCCO)C Molport-001-683-887 [1,1,0,0,0,0|0,0,0]=2
11  B30R3.2560070622  COCCNC(=O)COC1=C2C(=C(C(=O)OC2=C3CCC(OC3=C1)(C)C)C)C Molport-000-858-796 [1,1,0,0,0,0|0,0,0]=2
12  B30R3.4113976578  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)NCC(=O)O)C Molport-002-534-975 [1,1,0,0,0,0|0,0,1]=3
13  B30R3.4113976578  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)NCC(C)C)C Molport-001-683-859 [1,1,0,0,0,0|1,0,0]=3
14  B30R3.10313427833  CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC(C)(C)CO)(C)C Molport-000-848-569 [1,1,0,0,0,0|0,0,0]=2
15  B30R3.16489479537  CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)N[C@H](C)C(=O)O)(C)C Molport-006-317-749 [1,1,0,0,0,0|0,0,1]=3
16  B32R3.6410939179  CCC(NC(=O)COC1=C2C(=C(C(=O)OC2=C3CCC(OC3=C1)(C)C)C)C)C(=O)O Molport-002-534-729 [0,2,0,0,0,0|0,0,1]=3
17  B30R4.1968930273  CC1=C(C2=C(C=C3OC(CCC3=C2OC1=O)(C)C)OCC(=O)NC4CC4)C Molport-001-683-888 [1,0,0,1,0,0|1,0,0]=3
18  B32R4.342430178  CCC(C)NC(=O)COC1=C2C3=C(CCC3)C(=O)OC2=C4CCC(OC4=C1)(C)C Molport-002-533-390 [0,1,0,1,0,0|1,0,0]=3
19  B30R3.9235616316  CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC(O)CO)(C)C Molport-002-536-319 [1,0,0,0,0,1|1,0,0]=3