Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-046-158-465	1	COC1=CC=C(C[C@]2(O)COC3=CC(O)=CC(O)=C3C2=O)C=C1
MolPort-046-761-034	0.99	COC1=CC=C(C[C@]2(O)COC3=CC(OC)=CC(O)=C3C2=O)C=C1
MolPort-046-790-523	0.99	OC1=CC=C(C[C@@]2(O)COC3=CC(O)=CC(O)=C3C2=O)C=C1
MCULE-6745304759	0.88	C1C(O)=C2C(C(COC2=CC=1O)CC1C=CC(=CC=1)OC)=O
MolPort-046-761-031	0.88	COC1=CC=C(C[C@@H]2COC3=CC(O)=CC(O)=C3C2=O)C=C1
MolPort-019-937-209	0.88	COC1=CC=C(CC2COC3=CC(O)=CC(O)=C3C2=O)C=C1
MCULE-2154315081	0.87	C1(O)C=C2OCC(CC3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-1736405258	0.87	C1(OC)C=CC(CC2COC3C=C(O)C=CC=3C2=O)=CC=1
MCULE-1545228810	0.87	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MolPort-046-790-516	0.87	COC1=CC(O)=C2C(=O)C(CC3=CC=C(O)C=C3)COC2=C1
MolPort-019-937-486	0.87	COC1=CC=C(CC2COC3=C(C=CC(O)=C3)C2=O)C=C1
MolPort-035-705-988	0.87	OC1=CC=C(CC2COC3=C(C(O)=CC(O)=C3)C2=O)C=C1
MolPort-039-052-502	0.87	COC1=CC=C(C=C1)[C@H]1OC2=CC(OC)=CC(OC)=C2C(=O)[C@@H]1O
MolPort-046-158-526	0.86	COC1=C2C(=O)[C@H](O)[C@H](OC2=CC(O)=C1)C1=CC=CC=C1
MolPort-001-741-626	0.86	O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=CC=C1
MolPort-046-790-524	0.86	CC1=C(O)C=C2OC[C@@H](CC3=CC=C(O)C=C3)C(=O)C2=C1O
MolPort-027-720-890	0.86	COC1=CC=C(C[C@@H]2COC3=C(C2=O)C(O)=C(C)C(O)=C3C)C=C1
MCULE-4463093454	0.86	C12C(O)=CC(O)=CC=1O[C@H](C1C=CC=CC=1)[C@@H](O)C2=O
MCULE-4560358638	0.86	C1(O)C=C2O[C@H](C3C=CC=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-2373585148	0.86	CC1C(O)=C(C)C2OCC(CC3C=CC(OC)=CC=3)C(=O)C=2C=1O
MCULE-6672284700	0.86	C1(O)C(C)=C2OC[C@@H](CC3C=CC(OC)=CC=3)C(=O)C2=C(O)C=1C
MCULE-8240919679	0.86	C1(O)C=C2OCC(CC3C=CC(O)=CC=3)C(=O)C2=CC=1
MCULE-3159000697	0.86	C1(OC)C=C2O[C@@H]([C@@H](O)C(C2=C(O)C=1)=O)C1C=CC(O)=CC=1
MCULE-4510679729	0.86	C1C(OC)=C2C(=O)C[C@@H](C)OC2=C(C=1O)CCO
MolPort-002-486-330	0.86	OC1=CC=C(CC2COC3=C(C=CC(O)=C3)C2=O)C=C1
MolPort-001-740-729	0.86	COC1=CC(O)=C2C(=O)[C@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-001-739-248	0.86	COC1=C2C(=O)C[C@@H](C)OC2=C(CCO)C(O)=C1
MolPort-016-638-406	0.85	O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-001-741-294	0.85	O[C@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1
MCULE-3029164834	0.85	C1(O)C=C2O[C@H]([C@H](O)C(C2=C(O)C=1)=O)C1C=CC(O)=CC=1
MCULE-6429597192	0.85	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MolPort-005-945-530	0.84	O[C@H]1[C@@H](OC2=CC(O)=CC=C2C1=O)C1=CC=C(O)C=C1
MolPort-039-142-001	0.84	O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MCULE-9182612724	0.84	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=CC=1
MCULE-5559057559	0.84	C1(O)C=C2O[C@H]([C@@H](C(C2=CC=1)=O)O)C1C=CC(O)=CC=1
MolPort-039-338-397	0.83	COC1=C(C)C(O)=C2C(=O)[C@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-001-742-736	0.83	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=CC=C1O
MolPort-019-937-165	0.83	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=CC=C1
MCULE-5733387532	0.83	C1(OC)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C
MCULE-3714829206	0.83	C1(O)C=C2O[C@H](C3C(O)=CC=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-6286398411	0.83	C1(O)C=C2O[C@H](C3C=CC=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1
MolPort-029-887-061	0.82	COC1=CC=C(CC2COC3=C(C(O)=CC(O)=C3)C2=O)C=C1O
MolPort-002-507-573	0.82	CC1(C)CC(=O)C2=C(O1)C=C(OCC(O)=O)C=C2O
MolPort-035-683-152	0.82	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=C(O)C=C1
MCULE-2851603971	0.82	C1(O)C=C2OCC(CC3C=CC(OC)=C(O)C=3)C(=O)C2=C(O)C=1
MCULE-1335950835	0.82	C12C(O)=CC(=CC=1OC(CC2=O)(C)C)OCC(O)=O
MCULE-1604093945	0.82	C1(O)C=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-3666139069	0.82	C12=CC(OCCOC3=CC=C4C(OC(CC4=O)(C)C)=C3)=CC=C1C(CC(C)(C)O2)=O
MCULE-5089786365	0.82	C12C(OC)=CC(=CC=1OC(C)(C)CC2=O)OC
MolPort-002-507-621	0.81	CC1(C)CC(=O)C2=C(O1)C=C(OCC(O)=O)C=C2
MolPort-005-944-003	0.81	COC1=C2C(=O)C[C@@H](C)OC2=C2CCOC2=C1
MolPort-019-937-045	0.81	COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C1=CC=CC=C1
MolPort-035-706-506	0.81	OC1=CC2=C(C=C1)C(=O)C(CC1=CC(O)=C(O)C=C1)CO2
MolPort-001-739-249	0.81	CCC1=C2O[C@H](C)CC(=O)C2=C(OC)C=C1O
MCULE-4553065305	0.81	C12C=C(C=CC=1C(CC(C)(C)O2)=O)OCC(O)=O
MCULE-9278940968	0.81	C1C(=C2C(=O)C[C@H](OC2=C2CCOC=12)C)OC
MCULE-5242974703	0.81	C1(OC)C(CC(O)C(O)(C)C)=C2OC(C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MCULE-4391957723	0.81	C1(O)C=C2OCC(CC3C=CC(O)=C(O)C=3)C(=O)C2=CC=1
MCULE-2924473141	0.81	C1C(=C2C(=C(C=1O)CC)O[C@H](C)CC2=O)OC
MCULE-8143016945	0.81	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OC
MCULE-1252928951	0.81	Cl.C12C=C(C=CC=1C(CC(C)(C)O2)=O)OCC(O)=O
MolPort-002-126-253	0.81	COC1=CC2=C(C(=O)CC(C)(C)O2)C(O)=C1
MolPort-000-855-697	0.81	Cl.CC1(C)CC(=O)C2=C(O1)C=C(OCC(O)=O)C=C2
MolPort-002-054-240	0.80	CC1(C)CC(=O)C2=C(O1)C=C(O)C=C2O
MCULE-1219453843	0.80	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)O
MCULE-6367958739	0.80	C12C(O)=CC(=CC=1OC(CC2=O)(C)C)OCC(OC)=O
MCULE-7123585792	0.80	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OCC(C1C=CC=CC=1)=O
MCULE-4912537449	0.80	C1(CO)(CC2=CC=C(C=C2)OC)COC2C(=CC=CC=2)C1=O
MCULE-2940029331	0.80	C12C=C(OCCC)C=CC=1C(CC(C)(C)O2)=O
MCULE-5357665740	0.80	C12=CC(OC)=CC=C1C(CC(C)(C)O2)=O
MCULE-1173100593	0.80	C12C=C(OC)C=CC=1C(CC(C)O2)=O
MolPort-002-507-620	0.80	COC(=O)COC1=CC2=C(C(=O)CC(C)(C)O2)C(O)=C1
MolPort-002-818-093	0.80	COC1=CC=C(CC2(CO)COC3=CC=CC=C3C2=O)C=C1
MolPort-000-693-539	0.80	CC1(C)CC(=O)C2=C(O1)C=C(OCC(=O)C1=CC=CC=C1)C=C2O
MolPort-002-855-621	0.80	CCCOC1=CC2=C(C=C1)C(=O)CC(C)(C)O2
MolPort-002-904-439	0.80	COC1=CC2=C(C=C1)C(=O)CC(C)(C)O2
MolPort-001-740-727	0.79	COC1=CC2=C(C(O)=C1)C(=O)[C@H](O)[C@H](O2)C1=CC(O)=C(O)C=C1
MolPort-001-741-843	0.79	COC1=C(O)C=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-000-856-026	0.79	CC1(C)CC(=O)C2=C(O1)C=C(O)C=C2
MolPort-001-740-892	0.79	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
MolPort-002-718-925	0.79	OC1C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1
MolPort-003-850-396	0.79	O[C@@H]1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
MolPort-001-740-800	0.79	OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C(O)=C1
MolPort-006-069-341	0.79	O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C(O)=C1
MolPort-009-684-203	0.79	O[C@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
MolPort-006-417-676	0.79	OC1COC2=CC=CC=C2C1=O
MolPort-039-079-516	0.79	CC(C)OCC(O)COC1=CC=C2C(=O)CC(C)(C)OC2=C1
MolPort-006-668-453	0.79	CC(C)(O)C1CC2=C(O1)C=CC(C(=O)CCC1=CC=CC=C1)=C2O
MolPort-005-909-341	0.79	COC(=O)COC1=CC2=C(C=C1)C(=O)CC(C)(C)O2
MCULE-1480766301	0.79	C1(OC)=CC(O)=C2C([C@@H]([C@@H](C3C=CC(O)=C(O)C=3)OC2=C1)O)=O
MCULE-1856015315	0.79	O(C)C1C=CC([C@H]2OC3=CC(O)=CC(O)=C3C([C@@H]2O)=O)=CC=1O
MCULE-7447091722	0.79	O=C1C2C(OC)=C(C(=O)C)C(O)=CC=2OC(C)(C)C1
MCULE-1941541843	0.79	C12C=C(O)C=CC=1C(CC(C)(C)O2)=O
MCULE-6698156528	0.79	O1C2=CC(=CC(=C2C([C@@H]([C@@H]1C1=CC(=C(C(=C1)O)O)O)O)=O)O)O
MCULE-2394173874	0.79	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-2692728789	0.79	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-4871721304	0.79	C12C(O)=CC(=CC=1O[C@H]([C@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-2567986775	0.79	O1C2=CC(=CC(=C2C([C@H]([C@@H]1C1=CC=C(C(=C1)O)O)O)=O)O)O
MCULE-4254870575	0.79	C12C(O)=CC(=CC=1OC(C(O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-2809167723	0.79	C12=C(O)C=C(C=C1OC(C(O)C2=O)C1=CC(O)=C(C(O)=C1)O)O
MCULE-2327386216	0.79	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-2296975795	0.79	C12=C(O)C=C(C=C1O[C@@H]([C@@H](O)C2=O)C1=CC(O)=C(C(O)=C1)O)O
MCULE-2962679821	0.79	OC1C2C(=O)CC(OC=2C=C(O)C=1C(=O)C)(C)C
MCULE-5411478435	0.79	OC1C(=O)C2=C(C=CC=C2)OC1
MCULE-8793789355	0.79	CC(OCC(COC1=CC2=C(C(CC(O2)(C)C)=O)C=C1)O)C
MCULE-4911952817	0.79	C12OC(C(O)(C)C)CC=1C(O)=C(C(=O)CCC1C=CC=CC=1)C=C2
MCULE-5732404629	0.79	C12OC(CC(=O)C1=CC=C(OC)C=2C)(C)C
MCULE-3324744620	0.79	[C@H]1(C2=CC=C(C)C=C2)OC2=C(C=CC=C2)C(=O)[C@@]1(O)C
MCULE-4817576208	0.79	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1C
MCULE-4812868362	0.79	OC1C(O)=CC([C@@H]2OC3C(C([C@H]2O)=O)=C(O)C(C)=C(O)C=3)=CC=1O
MCULE-6991857034	0.79	OC1C=CC([C@@H]2OC3=CC(O)=C(C)C(O)=C3C([C@H]2O)=O)=CC=1O
MCULE-6930739422	0.79	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1=CC=C(C=C1)O)OC/C=C(\C)/C
MCULE-8224104004	0.79	C1(OC)C=C2O[C@H](C3C=CC(OC)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-1338747805	0.79	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1C
MCULE-9497505068	0.79	C12OC(C)(C)CC(=O)C1=CC=C(O)C=2C
MCULE-2605725094	0.79	C1(O)C=C2O[C@H](C3C=C(O)C(OC)=C(O)C=3)[C@@H](O)C(=O)C2=CC=1
MolPort-002-910-535	0.79	COC1=C(C)C2=C(C=C1)C(=O)CC(C)(C)O2
MolPort-035-706-517	0.79	COC1=CC2=C(C(O)=C1)C(=O)[C@H](O)[C@H](O2)C1=CC(O)=C(OC)C=C1
MolPort-005-944-657	0.79	CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C1=CC(O)=C(O)C(O)=C1
MolPort-001-742-561	0.79	CC(C)=CCOC1=CC2=C(C(O)=C1)C(=O)[C@H](O)[C@H](O2)C1=CC=C(O)C=C1
MolPort-039-141-839	0.79	CC1=C(O)C2=C(O[C@@H]([C@@H](O)C2=O)C2=CC(O)=C(O)C(O)=C2)C=C1O
MolPort-005-945-431	0.79	CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C1=CC(O)=C(O)C=C1
MolPort-039-141-838	0.79	CC1=C(O)C2=C(O[C@@H]([C@@H](O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O
MolPort-000-145-684	0.79	CC1=C(O)C=CC2=C1OC(C)(C)CC2=O
MolPort-035-705-961	0.79	COC1=C(O)C=C(C=C1O)[C@H]1OC2=CC(O)=CC=C2C(=O)[C@@H]1O
MolPort-035-705-989	0.78	COC1=C(O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2
MolPort-002-903-721	0.78	O[C@H]1[C@@H](OC2=C(C=CC=C2)C1=O)C1=CC=CC=C1
MolPort-000-447-968	0.78	OC1C(OC2=C(C=CC=C2)C1=O)C1=CC=CC=C1
MolPort-003-665-793	0.78	O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C1=CC(O)=C(O)C(O)=C1
MolPort-006-069-167	0.78	O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1
MCULE-2295691776	0.78	[C@@H]1([C@H](O)C(C2C=CC=CC=2O1)=O)C1C=CC=CC=1
MCULE-7026035805	0.78	C1(OC)C(O)=C2OCC(CC3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-6480805780	0.78	C1(=O)C2=CC=CC=C2OC(C2C=CC=CC=2)C1O
MCULE-3231582881	0.78	[C@H]1([C@@H](O)C(C2C=CC(O)=CC=2O1)=O)C1C=CC(O)=C(O)C=1
MCULE-9634821184	0.78	O1C2C=C(O)C=CC=2C([C@H](O)[C@H]1C1=CC(O)=C(C(O)=C1)O)=O
MCULE-5340165807	0.78	C1(O)C=C2OC(C(C(=O)C2=CC=1)O)C1C=C(O)C(O)=C(O)C=1
MCULE-5665116242	0.78	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)C(=O)C2=CC=1
MCULE-3921944108	0.78	O=C1C2C(OC)=C(C=O)C(O)=CC=2OC(C)(C)C1
MCULE-5444072692	0.78	OC1C2C(=O)CC3(OC=2C=C(O)C=1)CC3
MolPort-022-446-258	0.77	COC1=CC=CC2=C1C(=O)CC(C)(C)O2
MolPort-020-366-394	0.77	COC1=CC(OC)=C2C(=O)CCOC2=C1
MolPort-003-873-390	0.77	CC1(C)CC(=O)C2=C(O1)C=CC=C2O
MCULE-1362714791	0.77	O=C1C2C(=CC=CC=2OC(C)(C)C1)OC
MCULE-8793012880	0.77	C(C)(=O)OC1=CC2=C(C(C(C(C)O2)C(C)=O)=O)C=C1
MCULE-1588072136	0.77	C12C(CCOC=1C=C(OC)C=C2OC)=O
MCULE-1718966435	0.77	CC1(OC2=C(C(=CC=C2)O)C(=O)C1)C
MCULE-3493265138	0.77	C12C(OC)=CC(=CC=1OC(C(O)C2=O)C1C=CC(=C(OC)C=1)OC)OC
MCULE-3441155287	0.77	C12OC(CC(=O)C=1C=CC(OCC(=O)C)=C2C)(C)C
MCULE-7275500281	0.77	C1(OC)C=C2OC(CC(C2=C(OC)C=1)=O)C1C=CC=CC=1
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