Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-035-705-988	1	OC1=CC=C(CC2COC3=C(C(O)=CC(O)=C3)C2=O)C=C1
MCULE-2154315081	1	C1(O)C=C2OCC(CC3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-6745304759	0.99	C1C(O)=C2C(C(COC2=CC=1O)CC1C=CC(=CC=1)OC)=O
MCULE-8240919679	0.99	C1(O)C=C2OCC(CC3C=CC(O)=CC=3)C(=O)C2=CC=1
MolPort-002-486-330	0.99	OC1=CC=C(CC2COC3=C(C=CC(O)=C3)C2=O)C=C1
MolPort-046-761-031	0.99	COC1=CC=C(C[C@@H]2COC3=CC(O)=CC(O)=C3C2=O)C=C1
MolPort-019-937-209	0.99	COC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1
MolPort-046-790-516	0.98	COC1=CC(O)=C2C(=O)C(CC3=CC=C(O)C=C3)COC2=C1
MolPort-019-937-486	0.98	COC1=CC=C(CC2COC3=C(C=CC(O)=C3)C2=O)C=C1
MCULE-1736405258	0.97	C1(OC)C=CC(CC2COC3C=C(O)C=CC=3C2=O)=CC=1
MolPort-046-790-524	0.96	CC1=C(O)C=C2OC[C@@H](CC3=CC=C(O)C=C3)C(=O)C2=C1O
MolPort-027-720-890	0.96	COC1=CC=C(C[C@@H]2COC3=C(C2=O)C(O)=C(C)C(O)=C3C)C=C1
MCULE-2373585148	0.96	CC1C(O)=C(C)C2OCC(CC3C=CC(OC)=CC=3)C(=O)C=2C=1O
MCULE-6672284700	0.96	C1(O)C(C)=C2OC[C@@H](CC3C=CC(OC)=CC=3)C(=O)C2=C(O)C=1C
MCULE-4391957723	0.93	C1(O)C=C2OCC(CC3C=CC(O)=C(O)C=3)C(=O)C2=CC=1
MCULE-1219453843	0.93	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)O
MolPort-035-706-506	0.93	OC1=CC2=C(C=C1)C(=O)C(CC1=CC(O)=C(O)C=C1)CO2
MolPort-002-054-240	0.92	CC1(C)CC(=O)C2=C(O1)C=C(O)C=C2O
MCULE-2851603971	0.92	C1(O)C=C2OCC(CC3C=CC(OC)=C(O)C=3)C(=O)C2=C(O)C=1
MolPort-029-887-061	0.92	COC1=CC=C(CC2COC3=C(C(O)=CC(O)=C3)C2=O)C=C1O
MolPort-000-856-026	0.91	CC1(C)CC(=O)C2=C(O1)C=C(O)C=C2
MCULE-5089786365	0.91	C12C(OC)=CC(=CC=1OC(C)(C)CC2=O)OC
MCULE-1941541843	0.91	C12C=C(O)C=CC=1C(CC(C)(C)O2)=O
MolPort-000-145-684	0.90	CC1=C(O)C=CC2=C1OC(C)(C)CC2=O
MolPort-002-126-253	0.90	COC1=CC2=C(C(=O)CC(C)(C)O2)C(O)=C1
MCULE-8143016945	0.90	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OC
MCULE-9497505068	0.90	C12OC(C)(C)CC(=O)C1=CC=C(O)C=2C
MolPort-002-818-093	0.89	COC1=CC=C(CC2(CO)COC3=CC=CC=C3C2=O)C=C1
MolPort-002-904-439	0.89	COC1=CC2=C(C=C1)C(=O)CC(C)(C)O2
MolPort-002-855-621	0.89	CCCOC1=CC2=C(C=C1)C(=O)CC(C)(C)O2
MCULE-5444072692	0.89	OC1C2C(=O)CC3(OC=2C=C(O)C=1)CC3
MCULE-4912537449	0.89	C1(CO)(CC2=CC=C(C=C2)OC)COC2C(=CC=CC=2)C1=O
MCULE-1173100593	0.89	C12C=C(OC)C=CC=1C(CC(C)O2)=O
MCULE-2940029331	0.89	C12C=C(OCCC)C=CC=1C(CC(C)(C)O2)=O
MCULE-5357665740	0.89	C12=CC(OC)=CC=C1C(CC(C)(C)O2)=O
MCULE-1362714791	0.89	O=C1C2C(=CC=CC=2OC(C)(C)C1)OC
MCULE-1718966435	0.89	CC1(OC2=C(C(=CC=C2)O)C(=O)C1)C
MolPort-022-446-258	0.89	COC1=CC=CC2=C1C(=O)CC(C)(C)O2
MolPort-003-873-390	0.89	CC1(C)CC(=O)C2=C(O1)C=CC=C2O
MolPort-001-739-249	0.88	CCC1=C2O[C@H](C)CC(=O)C2=C(OC)C=C1O
MolPort-002-910-535	0.88	COC1=C(C)C2=C(C=C1)C(=O)CC(C)(C)O2
MCULE-2924473141	0.88	C1C(=C2C(=C(C=1O)CC)O[C@H](C)CC2=O)OC
MCULE-5732404629	0.88	C12OC(CC(=O)C1=CC=C(OC)C=2C)(C)C
MolPort-046-790-523	0.88	OC1=CC=C(C[C@@]2(O)COC3=CC(O)=CC(O)=C3C2=O)C=C1
MCULE-5756285409	0.87	OC1C2C(=O)CC3(OC=2C=C(O)C=1)CCC3
MCULE-3921944108	0.87	O=C1C2C(OC)=C(C=O)C(O)=CC=2OC(C)(C)C1
MCULE-7026035805	0.87	C1(OC)C(O)=C2OCC(CC3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-046-158-465	0.87	COC1=CC=C(C[C@]2(O)COC3=CC(O)=CC(O)=C3C2=O)C=C1
MolPort-035-705-989	0.87	COC1=C(O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2
MolPort-020-366-394	0.86	COC1=CC(OC)=C2C(=O)CCOC2=C1
MolPort-006-417-667	0.86	OC1=CC=C2C(=O)CCOC2=C1
MCULE-1588072136	0.86	C12C(CCOC=1C=C(OC)C=C2OC)=O
MCULE-7447091722	0.86	O=C1C2C(OC)=C(C(=O)C)C(O)=CC=2OC(C)(C)C1
MCULE-8640026575	0.86	C12C=CC(=CC=1OCCC2=O)O
MCULE-2962679821	0.86	OC1C2C(=O)CC(OC=2C=C(O)C=1C(=O)C)(C)C
MCULE-6305563775	0.86	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MCULE-8084114235	0.86	[C@H]1(C2=CC=CC=C2)OC2=CC(O)=CC(OC)=C2C(=O)C1
MCULE-7826903505	0.86	C1(O)C=C2OC(C3C=CC=CC=3)CC(C2=C(OC)C=1)=O
MCULE-9302131889	0.86	C1(O)C=C2OC(C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-8793012880	0.86	C(C)(=O)OC1=CC2=C(C(C(C(C)O2)C(C)=O)=O)C=C1
MCULE-9370973230	0.86	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-6631561492	0.86	C1C(=O)C2C(=CC(O)=CC=2O)O[C@@H]1C1C=CC=CC=1
MolPort-046-761-034	0.86	COC1=CC=C(C[C@]2(O)COC3=CC(OC)=CC(O)=C3C2=O)C=C1
MolPort-001-740-709	0.86	COC1=C2C(=O)CC(OC2=CC(O)=C1)C1=CC=CC=C1
MolPort-009-754-963	0.86	COC1=CC(O)=CC2=C1C(=O)C[C@H](O2)C1=CC=CC=C1
MolPort-004-952-374	0.86	OC1=CC(O)=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-002-509-256	0.86	OC1=CC2=C(C(=O)C[C@H](O2)C2=CC=CC=C2)C(O)=C1
MolPort-000-165-378	0.86	OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1
MolPort-046-591-306	0.85	CC1=C2OCCC(=O)C2=CC=C1O
MCULE-9126215246	0.85	O=C1CCOC2=C1C=CC(O)=C2C
MCULE-6709417192	0.85	C(#N)COC1=CC2OC(C)(C)CC(=O)C=2C=C1
MCULE-6698275589	0.85	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-9865914914	0.85	C1(O)C=C2OC(CC(C2=C(OC)C=1)=O)C1C=CC(O)=CC=1
MCULE-6753110271	0.85	C12=C(C)C(O)=CC(O)=C1C(C[C@@H](C1C=CC=CC=1)O2)=O
MCULE-7275500281	0.85	C1(OC)C=C2OC(CC(C2=C(OC)C=1)=O)C1C=CC=CC=1
MCULE-3254872691	0.85	C12C(O)=CC(=CC=1O[C@H](CC2=O)C1C=CC(=CC=1)O)O
MCULE-5489217450	0.85	C12C(O)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)O)O
MCULE-2527326110	0.85	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-4005429744	0.85	C1C(=O)C2=C(O)C=C(O)C=C2O[C@@H]1C1C=CC(O)=CC=1
MCULE-5852778653	0.85	C12C(O)=CC(=CC=1O[C@H](CC2=O)C1C=CC(=CC=1)O)O
MCULE-7916081306	0.85	C12=CC(=CC=C1OCC(C(=O)C)C2=O)C
MolPort-046-790-389	0.85	COC1=CC(OC)=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-005-944-711	0.85	COC1=C2C(=O)CC(OC2=CC(O)=C1)C1=CC=C(O)C=C1
MolPort-035-683-182	0.85	COC1=C2C(=O)C[C@H](OC2=CC(O)=C1)C1=CC=C(O)C=C1
MolPort-001-740-717	0.85	COC1=CC(OC)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1
MolPort-002-507-277	0.85	OC1=CC=C(C=C1)[C@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-000-861-091	0.85	OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-001-796-145	0.85	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-002-893-167	0.85	CC(=O)C1COC2=C(C=C(C)C=C2)C1=O
MolPort-002-903-717	0.84	OC1=CC2=C(C=C1)C(=O)CC(O2)C1=CC=CC=C1
MolPort-039-338-586	0.84	OC1=CC=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-044-431-402	0.84	OC1=CC2=C(C(=O)CC3(CCCCC3)O2)C(O)=C1
MCULE-7258052902	0.84	C1(OC)C=C2O[C@@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-5306878717	0.84	C12=CC(O)=CC=C1C(=O)C[C@@]([H])(C1C=CC(=CC=1)O)O2
MCULE-2064774552	0.84	OC1C=CC(C2OC3=CC(O)=CC=C3C(=O)C2)=CC=1
MCULE-5637234780	0.84	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
MCULE-8726416131	0.84	C1(O)C=C2O[C@@H](C3C=CC=CC=3)CC(=O)C2=CC=1
MCULE-2337043419	0.84	C12C=C(C=CC=1C(CC(C1=CC=CC=C1)O2)=O)O
MCULE-6542351856	0.84	C12C(O)=CC(=CC=1OC1(CC2=O)CCCCC1)O
MCULE-8293297438	0.84	C12C=CC(=CC=1OCCC2=O)OC
MCULE-1231893585	0.84	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-8068976578	0.84	C12C(OC)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)O)OC
MCULE-2855478624	0.84	C1(O)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-8498690406	0.84	COC1=CC(OC)=CC2=C1C(=O)CC(C1=CC=C(OC)C=C1)O2
MCULE-8195585327	0.84	C1(O)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-2417211351	0.84	O=C1C2C(=CC=CC=2OCC1)OC
MCULE-6964743359	0.84	C12C(O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC(=CC=1)OC)O
MCULE-5052743999	0.84	O=C1C2C(=CC(=CC=2OC(C2C=CC=CC=2)C1)OC)O
MCULE-9439004515	0.84	C12C(O)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)OC)O
MCULE-7196504979	0.84	C1(OC)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MolPort-003-712-357	0.84	COC1=CC2=C(C=C1)C(=O)CCO2
MolPort-039-339-073	0.84	CC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
MolPort-039-052-470	0.84	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(OC)C=C(OC)C=C2O1
MolPort-039-338-389	0.84	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(OC)C=C(O)C=C2O1
MolPort-020-001-853	0.84	COC1=CC=CC2=C1C(=O)CCO2
MolPort-001-742-462	0.84	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-028-599-887	0.84	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-003-939-134	0.84	COC1=CC2=C(C(=O)C[C@H](O2)C2=CC=CC=C2)C(O)=C1
MolPort-001-741-519	0.84	COC1=CC(O)=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-044-184-424	0.84	OC1=CC=CC2=C1C(=O)CCO2
MolPort-002-511-352	0.83	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2
MolPort-005-944-750	0.83	OC1=CC=C(C=C1)C1CC(=O)C2=CC=C(O)C=C2O1
MolPort-003-757-724	0.83	CC(C)(C)C1CC[C@@]2(CC1)CC(=O)C1=C(O2)C=C(O)C=C1
MolPort-016-591-308	0.83	CC1CCC2(CC1)CC(=O)C1=C(O2)C=C(O)C=C1
MolPort-038-550-587	0.83	CC(C)(C)C1CCC2(CC1)CC(=O)C1=CC=C(O)C=C1O2
MolPort-001-842-621	0.83	CC(=O)COC1=C(C)C2=C(C=C1)C(=O)CC(C)(C)O2
MolPort-002-507-615	0.83	OC1=CC2=C(C=C1)C(=O)CC1(CCCCC1)O2
MolPort-010-759-527	0.83	CC1CCC[C@]2(C1)CC(=O)C1=C(O2)C=C(O)C=C1
MolPort-003-757-723	0.83	CC1CCC[C@@]2(C1)CC(=O)C1=C(O2)C=C(O)C=C1
MolPort-003-757-722	0.83	CC1CC[C@@]2(CC1)CC(=O)C1=C(O2)C=C(O)C=C1
MolPort-016-588-829	0.83	CC1CCCC2(C1)CC(=O)C1=C(O2)C=C(O)C=C1
MCULE-4398219856	0.83	C12C=C(O)C=CC=1C(CC1(CCC(CC1)C(C)(C)C)O2)=O
MCULE-3441155287	0.83	C12OC(CC(=O)C=1C=CC(OCC(=O)C)=C2C)(C)C
MCULE-6863370760	0.83	C12C=C(O)C=CC=1C(CC1(CCCCC1)O2)=O
MCULE-1897206983	0.83	C12C=C(O)C=CC=1C(CC1(CCCC(C)C1)O2)=O
MCULE-6916263915	0.83	C12C=C(O)C=CC=1C(CC1(CCC(CC1)C)O2)=O
MCULE-4427780251	0.83	C12=C(C)C(OC)=CC(O)=C1C(CC(C1C=CC=CC=1)O2)=O
MCULE-5001672302	0.83	C1(C)C(O)=C2C(CC(OC2=C(C)C=1O)C1C=CC(O)=CC=1)=O
MCULE-6580599773	0.83	C1(O)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-3666139069	0.83	C12=CC(OCCOC3=CC=C4C(OC(CC4=O)(C)C)=C3)=CC=C1C(CC(C)(C)O2)=O
MCULE-2862082028	0.83	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(O)C=1
MCULE-1297538743	0.83	C1(OC)C=C2O[C@@H](CC(=O)C2=C(O)C=1)C1C=CC(O)=CC=1
MCULE-3240859900	0.83	C1(OC)C=C2OC(CC(=O)C2=C(O)C=1)C1C=CC(O)=CC=1
MCULE-4510679729	0.83	C1C(OC)=C2C(=O)C[C@@H](C)OC2=C(C=1O)CCO
MCULE-9332914030	0.83	C12C=C(OC)C=CC=1C(CC(C1C=CC=CC=1)O2)=O
MCULE-5552695561	0.83	C12(COC3=C(C=CC=C3)C1=O)CC2C1C=CC=CC=1
MolPort-039-338-107	0.83	CC1=C(O)C(C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-001-740-535	0.83	CC1=C(O)C(C)=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-000-165-376	0.83	COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1
MolPort-035-683-158	0.83	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(OC)C=C2O1
MolPort-039-052-519	0.83	COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-001-739-248	0.83	COC1=C2C(=O)C[C@@H](C)OC2=C(CCO)C(O)=C1
MolPort-002-855-328	0.83	O=C1C2=CC=CC=C2OCC11CC1C1=CC=CC=C1
MolPort-000-679-470	0.83	CC1(C)CC(=O)C2=C(O1)C=CC=C2
MolPort-038-948-087	0.83	C[C@@H]1CC(=O)C2=C(O1)C=CC=C2
MolPort-001-742-469	0.82	COC1=CC=CC2=C1C(=O)CC(O2)C1=CC=CC=C1
MolPort-035-683-202	0.82	CC1(C)CCC2=C3O[C@@H](CC(=O)C3=C(O)C=C2O1)C1=CC=CC=C1
MolPort-039-338-418	0.82	COC1=C(C)C(O)=C2C(=O)C[C@H](OC2=C1C)C1=CC=C(O)C=C1
MolPort-000-145-683	0.82	CC1=CC(O)=CC2=C1C(=O)CC(C)(C)O2
MCULE-7359426276	0.82	CC1(OC2=C(C=CC=C2)C(=O)C1)C
MCULE-8743190189	0.82	C12C(=CC=CC=1OC(CC2=O)C1=CC=CC=C1)OC
MCULE-8604836333	0.82	C12OC(C)(C)CCC1=C1O[C@H](C3C=CC=CC=3)CC(=O)C1=C(O)C=2
MCULE-4547911471	0.82	C1(OC)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-7233709477	0.82	C12C(=O)CC(OC=1C(=C(O)C(C)=C2O)C=O)C1=CC=CC=C1
MCULE-3718545840	0.82	C12=C(C)C=C(C=C1OC(CC2=O)(C)C)O
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