Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-3174021569	1	OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-3300513366	1	C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
MCULE-5456178986	1	OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-4640003531	1	C1C[C@@]2(C)C3C4(CCC2[C@@](C(O)=O)(C)C1)CC(=C)C(CC3)C4
MCULE-3735012527	0.93	C[C@@]1([C@@]2([H])[C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4=C)O)[H])(C)CCC1)C(=O)O
MCULE-8330160340	0.93	[C@@]12(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CCC(=C)[C@H]2CCC(C)CCO
MCULE-2845490138	0.93	[C@]123CC[C@H](C1)C(C(=C)[C@@]2([H])CC[C@@H]3C(O)=O)(C)C
MCULE-1233983645	0.93	CC12C3CCC4(O)C(CC3(C4)CCC1C(C(O)=O)(C)CCC2)=C
MCULE-8251326522	0.93	C=C1C[C@@]23[C@](CC[C@@]1(C2)O)([H])[C@@]1(C)[C@]([C@@](CCC1)(C(=O)O)C)([H])CC3
MCULE-4713145304	0.93	C1C[C@]2(C)[C@@]([H])(CC[C@@H](C)CCO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-4393909687	0.93	C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
MCULE-9706743745	0.93	C1C[C@]2(C)[C@]3([H])CC[C@@]4(O)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-5848120811	0.93	C1(=C)C2CCC1CC(C(O)=O)C2
MCULE-2125200193	0.90	[C@@]12(C)CC[C@]3([C@]([H])([C@H](C(C)=C)CC3)[C@@]1([H])CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CC[C@@]21C)C)C(O)=O
MCULE-9982252588	0.90	O=C(O)[C@]12[C@]([C@]3(CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])[H])([H])[C@H](C(=C)C)CC2
MCULE-8903209433	0.90	C1C[C@]23C[C@@]42CC[C@]2(C)[C@]([C@@H](CCC(=C)C(C)C)C)([H])CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-2871457061	0.90	C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@@H]1O)(C)C)C(O)=O
MCULE-2484766562	0.90	C1C[C@@]2([C@]3(CC[C@@]4([C@]5([C@H](C(C)=C)CC[C@]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)[H])[H])[H])C
MCULE-2275715129	0.90	C12(C)CCC3(C(C(C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-5368790248	0.90	C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-5097841519	0.90	C1(=O)C([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
MCULE-2876144776	0.90	C12(CCC(C(C)(C)C1=C)C2)C(O)=O
MCULE-8322152301	0.90	CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(C)(C)C(=O)CC2)CC3)=C
MCULE-1753922453	0.90	[H][C@@]12[C@]3(CC[C@]4([C@](C)([C@]3(C)CC[C@@]1(C=O)CC[C@H]2C(=C)C)CC[C@]1([H])[C@@]4(CC[C@@H](C1(C)C)O)C)[H])[H]
MCULE-4487348024	0.90	[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-]
MCULE-8763282524	0.90	OC([C@@]12CC[C@@]3(C(O)=O)CCC(C(C)=C)C3[C@@]1([H])CCC1[C@@]2(C)CCC2[C@@]1(CC[C@H](O)C2(C)C)C)=O
MCULE-3066570238	0.90	C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-6571932731	0.89	C=CCCCCCC(=O)O
MCULE-3892173219	0.89	C(CCCCCCCC=C)(O)=O
MCULE-7928135942	0.89	C(CCCCCCCCC=C)(O)=O
MCULE-9714012387	0.89	C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
MCULE-6863504457	0.89	O=C(CCCCC(O)=O)CCCCCCCCC=C
MCULE-1403801057	0.89	C(CCCCCC(=O)O)CCCCCCC=C
MCULE-6091105789	0.89	C=C(CCCCCC(=O)O)C
MCULE-2837812117	0.89	C=C(C)CCCCC(=O)O
MCULE-7974840074	0.89	C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
MCULE-3259621922	0.87	C(O)(CC1CCCC(=C)C1)=O
MCULE-9520777832	0.87	C(O)(=O)C1CCC(CC1)=C
MCULE-6340408888	0.87	C1CC2(C)C3CCC(=C)C(CC(=O)O)C3(C)CCC2C(C)(C)C1
MCULE-7490068037	0.87	C1(=C)C2CCCC1CC(C(O)=O)C2
MCULE-8091131175	0.87	[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-].[K+]
MCULE-4540266032	0.87	C(O)(=O)CC1CCCC1C=C
MCULE-9003092096	0.87	[Na+].C12(CCC(C(C)(C)C1=C)C2)C(=O)[O-]
MCULE-6212623017	0.87	C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O)C
MCULE-6569170574	0.87	C1CC2(C(C3(C(C(C(C31)(C)C)O)C=O)C)CCC1C3C(C(C)=C)CCC3(CCC21C)C(=O)O)C
MCULE-3558747073	0.87	[C@]12(CC[C@]3([C@@](CC[C@@]4([H])[C@](C)(CO)[C@H](CC[C@]34C)O)([C@]1(C)CC[C@@]1(C(O)=O)CC[C@@H](C(C)=C)[C@@]12[H])C)[H])[H]
MCULE-7281525757	0.87	C1(C)(C)C(CCC1=C)CC(O)=O
MCULE-2112175098	0.87	CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(CO)(C)C(O)CC2)CC3)=C
MCULE-3719801152	0.87	[C@@H]1(O)C[C@@]2(C3CCC4C5[C@H](C(C)=C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CCC2C([C@H]1O)(C)C)C)C
MCULE-8671525222	0.86	C(CCCCCCCCC=C)(=O)[O-].[K+]
MCULE-5304256304	0.86	C(=O)(CCCC=C)CCCCCC(=O)O
MCULE-3707649630	0.86	C(=O)(C=C)CCCCCC(=O)O
MCULE-4888197133	0.86	C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
MCULE-6305971962	0.85	C1[C@H](O)[C@]23C[C@@]42CC[C@]2(C)[C@]([C@@H](CCC(=C)C(C)C)C)([H])CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-2632444883	0.84	C12[C@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-3449539268	0.84	C1CC2(C3CCC4C5C(C(C)=C)CCC5(CCC4(C(O)=O)C3(C)CCC2C(C)(C1O)C(=O)O)C(O)=O)C
MCULE-3524678284	0.84	C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)CC2C([C@@H]1O)=C)C
MCULE-8675761077	0.84	[C@]12([H])[C@@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-3240845890	0.84	C1C[C@@]2(C)[C@@](C[C@H](C(C(=O)O)=C)CC2)([C@@](C1)(O)C)[H]
MCULE-5371407715	0.84	C12(CCC(C(=C)C1(C)C)C2)C(O)=O
MCULE-5589267581	0.84	C1CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1O
MCULE-9204788308	0.84	C12C(C)(CCCC1(C)CCC(C2)C(=C)C(O)=O)O
MCULE-8211700424	0.83	C(O)(=O)C(C)(CCCC(C)=C)C=C
MCULE-3541967763	0.82	[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MCULE-3209954130	0.82	C1[C@@H](CC[C@]2(CC[C@H](O)[C@]21C(=O)C)C)C(C(O)=O)=C
MCULE-4617598220	0.81	CC(C1(C(O)=O)CC2(CCC2)C1)C=C
MCULE-1327121373	0.81	CC(CC1(C(O)=O)CC2(CCC2)C1)=C
MCULE-5486459234	0.81	OC(C1(CC2(CCC2)C1)CC=C)=O
MCULE-1337085089	0.81	[C@]12(C)[C@@]([H])(CCC3C1CC[C@]1(C3CC[C@]1(C)O)C)CC(C(=CO)C2)=O
MCULE-6339641467	0.81	C12(C)C(CCC3C1CCC1(C3CCC1(C)O)C)CC(C(=CO)C2)=O
MCULE-2458365976	0.81	C1CC2(C)CCC(C(=C)C(=O)O)CC2C(O)(C)C1O
MCULE-6325460548	0.81	[C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1([H])CC[C@]1([C@@]3([H])CC[C@]1(C)O)C)CC(C(=CO)C2)=O
MCULE-2356606074	0.80	C1C[C@@]2(C)[C@]3([H])CC[C@H]4C(=C)C[C@@]3(C4)[C@@H](C(O)=O)[C@]2([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-1524081508	0.79	C12C3C([H])(C(=O)O)C(C(C1([H])C(=O)O)CC2)CC3
MCULE-1755461261	0.79	[C@]1(C)(CCC(=O)O)C2CC[C@]3([H])[C@@]([H])([C@@](O)(CC/C=C(\C)/C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C
MCULE-5815266173	0.79	C1(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-8239247384	0.79	C1CC2(C)C3CCC4C(C(=O)O)CC3(C4)CCC2C(O)(C)C1
MCULE-1729016821	0.79	C1(CC2CCC(C2)C1)C(O)=O
MCULE-5331331752	0.79	C12(CC3CC(C(C3)(C)C1)(C)C2)C(O)=O
MCULE-5242713432	0.79	C1C[C@@]2(C3CCC4C(CO)CC3(C4)CCC2[C@](C)(C1)C(=O)O)C
MCULE-6742532196	0.79	C1(C)(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-2418944540	0.79	C1(CC2CCC(C2C)C1)C(O)=O
MCULE-9070724061	0.79	C1(C)(CCC(=C)C1(C)C)C(O)C(O)=O
MCULE-7268034011	0.79	C1CC2(C3CCC4C(CO)CC3(C4)CCC2C(C)(C1)C(=O)O)C
MCULE-6324573231	0.79	C12(C)CCC(CC(C(O)=O)C1)C2(C)C
MCULE-7051383473	0.79	C1(C)(C)C(=C)CCC1C(O)C(O)=O
MCULE-4692930106	0.79	[C@@]123CC[C@]4([C@@](C)(CCC[C@@]4(C)C(O)=O)[C@]1([H])CC[C@@](C(=O)C2)(C)C3)[H]
MCULE-7831785324	0.79	CC12C(=O)CC3(C1)C(C1(C)C(CC3)C(C(O)=O)(C)CCC1)CC2
MCULE-3188928859	0.79	CC(C(O)=O)C1CC2CC(CC2)C1
MCULE-9658779473	0.79	OC(C1C2C3C4CC5C(C14)C2CC53)=O
MCULE-6884173238	0.79	CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-6818941701	0.79	C1(O)CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1
MCULE-4596209637	0.79	CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-9085462824	0.79	OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-6932837620	0.79	C12(C3CC(CC(C3)C1)C2)C(=O)O
MCULE-6441405293	0.79	OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-6610747657	0.79	C[C@]1([C@@]2([H])[C@]([C@]3(CC[C@]4(C[C@]3(CC2)CC4=O)C)[H])(C)CCC1)C(=O)O
MCULE-8825622840	0.79	C1CC2(C)C3CCC4C(C(=O)O)CC3(C4)CCC2C(C(=O)O)(C)C1
MCULE-8746895087	0.79	C[C@]12CC[C@H]3[C@]4(CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C1)CC2=O)C
MCULE-7634595841	0.79	C1CC2(C)C(=O)C3(CC(C=C)(C)CC3O)CCC2C(C(=O)O)(C)C1
MCULE-9401527165	0.79	C1C[C@@]2(C)[C@]3([H])CC[C@]4(C)C(=O)C[C@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-3969146797	0.78	C1(=C)C2CCC1CC(C(OC)=O)C2
MCULE-5637237774	0.77	C12(CCC(C(C)(C)C1=CBr)C2)C(O)=O
MCULE-9986157056	0.76	C12C3CCC(C3)C1C2C(O)=O
MCULE-1937134104	0.76	C1CC2(C(CCC(C2CCC(CC(O)=O)C)=C)C(C1)(C(=O)OC)C)C
MCULE-6737121719	0.76	C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)[C@@H]([C@@]2([H])C(C1)=C)O)C
MCULE-6279247899	0.76	C12CC3C4C(C(=O)O)CC3C1C24
MCULE-2546617058	0.76	C=CCCCCCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-1326875363	0.76	C1CC2(C(C(C(O)=O)(C)C1)CCC13C2CCC(C(O)(CO)C1)C3)C
MCULE-9868633193	0.76	C1CC2(C(O)CC(C(C(=O)O)=C)CC2C(C1)=C)C
MCULE-1019761033	0.76	C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@]2(O)C(=C)C1
MCULE-9678628720	0.76	C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@@]2(O)C(=C)C1
MCULE-9461957149	0.76	C12C3C4CC1C1C2(C(O)=O)C3C41
MCULE-3339182305	0.76	C(=C)(C(O)=O)[C@]1(O)CC[C@@]2([C@]([H])(C(CCC2)=C)C1)C
MCULE-5673828578	0.76	CC1(C2(CC3CC(CC3)C2)C1C(O)=O)C
MCULE-6458890062	0.76	OC(C1C2(CC3CC(CC3)C2)C1)=O
MCULE-2105378214	0.75	C1(CC2CC1CC2)C(O)=O
MCULE-8929530363	0.75	C12(C)CCC(C(CC(O)=O)C1)C2(C)C
MCULE-1657466953	0.75	[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCC(O)=O
MCULE-9174492631	0.75	C12(C)CCC(CC1=O)C2(C)CCC(O)=O
MCULE-6091123641	0.75	C1(CC2C(CCCC2)C1)C(O)=O
MCULE-8287083462	0.75	C1(C)(C2CCC1(C)CC2)CCC(O)=O
MCULE-4098753787	0.75	C12C(=O)CCC(C(=C)CCC1C(C)(C)C2)O
MCULE-9754037363	0.75	C1(C)(C2CCC1(C)CC2)CC(O)=O
MCULE-2648252385	0.75	C12(C)CCC(CC1CC(O)=O)C2(C)C
MCULE-7044635718	0.75	CC1([C@@]2(C(O)=O)CC[C@@H]1CC2)C
MCULE-8532386971	0.75	OC(CC1CCC2(CCCC2)CC1)=O
MCULE-8429241976	0.75	C12(C)CC(C(O)=O)C(CC1)C2(C)C
MCULE-8810404854	0.75	C12(C)CCC(CC1O)C2(C)CCC(O)=O
MCULE-5875777622	0.75	C1(C)(CCC(O)=O)C(CCC(O)=O)CCC2C3C(C)(CCC12)CCC3
MCULE-3076062318	0.75	CC1(C2CC(CC2)C1C(O)=O)C
MCULE-4783030711	0.75	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]([C@@H](CCC(O)=O)C)([H])CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@@H]1O
MCULE-3455137708	0.75	C(O)(CC(C)CC/C=C(/C)\C)=O
MCULE-8412103796	0.75	C12(CCC(C(C)(C)C1C)C2)C(O)=O
MCULE-8362534875	0.75	C12(CC3CCC(CC(C3)C1)C2)C(O)=O
MCULE-1438242882	0.75	C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
MCULE-4855956223	0.75	C(O)(C(C)(C)C1CCC2C3(C)CCC(C(C)CCCC(C)C)C3(C)CCC2C1(C)CC(O)=O)=O
MCULE-3279478733	0.75	C12(CC(CC1)CC2(C)C)C(O)=O
MCULE-5287861470	0.75	[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])CC(O)=O)[H]
MCULE-5253122006	0.75	C[C@@H]([C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](C[C@@H]2O)[C@]2(C)[C@@H](C[C@@H](CC2)O)CC3)CC1)CCC(=O)O
MCULE-2553099876	0.75	[C@@]12(C)[C@@]([H])([C@H](C)CCC(O)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C[C@@H]2O)[H]
MCULE-4794343339	0.75	C12(C)C(C(C)CCC(O)=O)CCC1([H])C1C(C3(C)CCC(CC3(CC1)[H])O)CC2=O
MCULE-1781204332	0.75	C12(C)CCC3C(CCC4([H])CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-3471588131	0.75	C1(CC2C(CC(CC2)=O)C1)C(O)=O
MCULE-6919539940	0.75	C12(C(=O)OC)CCC(C(=C)C)C1C1CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(CC2)C
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MCULE-4898217604	0.71	C1C[C@]2(C(CC[C@@](O)([C@@H]2CC[C@H](C)CC(O)=O)C)C(C1)(C)C)C
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MCULE-8769705518	0.71	OC(C1CC2C(CCCC2)CC1)=O
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