Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-001-740-963	1	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC=C(O)C=C1
MolPort-019-937-484	1	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C=C1
MolPort-003-665-792	1	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C=C(O)C=C2O
MCULE-4054125595	1	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@H](O)CC2=C(O)C=1
MCULE-3987657618	1	C1(O)C=C2O[C@@H](C3C=CC(O)=CC=3)[C@@H](O)CC2=C(O)C=1
MCULE-9581242889	1	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)CC2=C(O)C=1
MCULE-9862512162	1	[C@H]1(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C2C[C@H]1O
MolPort-002-834-809	0.95	COC1=CC2=C(C[C@@H](O)[C@H](O2)C2=CC=CC=C2)C=C1
MCULE-4959289073	0.95	O1[C@H](C2=CC=CC=C2)[C@H](O)CC2C=CC(OC)=CC1=2
MolPort-039-052-612	0.92	O[C@H]1[C@H](O)C2=CC=C(O)C=C2O[C@@H]1C1=CC=C(O)C=C1
MCULE-2316302341	0.92	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)[C@H](O)C2=CC=1
MolPort-001-740-277	0.91	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1
MolPort-003-941-524	0.91	O[C@@H]1CC2=C(O[C@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O
MolPort-003-935-517	0.91	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C1
MolPort-046-417-443	0.91	C.O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1
MolPort-001-740-421	0.91	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1
MolPort-001-740-311	0.91	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C(O)=C1
MolPort-003-928-035	0.91	O.O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O
MolPort-001-740-232	0.91	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1
MolPort-046-766-138	0.91	C.CO.O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C(O)=C1
MolPort-003-665-790	0.91	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O
MolPort-001-824-840	0.91	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O
MolPort-004-963-948	0.91	O.OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O
MCULE-4219942050	0.91	O1C(C(O)CC2C(=CC(O)=CC1=2)O)C1C=CC(O)=C(O)C=1
MCULE-3245144995	0.91	OC1=CC(O)=C2C(O[C@@H]([C@H](O)C2)C2C=C(O)C(O)=C(O)C=2)=C1
MCULE-9354240076	0.91	OC1=CC(=C2C(=C1)O[C@@H]([C@H](C2)O)C1=CC=C(C(=C1)O)O)O
MCULE-5749472487	0.91	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@H](O)CC2=C(O)C=1
MCULE-8436122228	0.91	[C@@H]1([C@H](O)CC2C(O)=CC(O)=CC=2O1)C1=CC(=C(O)C(O)=C1)O
MCULE-9338438267	0.91	C1(O)C=C2O[C@H]([C@H](CC2=C(O)C=1)O)C1C=C(O)C(O)=C(O)C=1
MCULE-8775451204	0.91	C1C(O)=C2C[C@@H](O)[C@H](OC2=CC=1O)C1C=C(C(=CC=1)O)O
MCULE-9971134031	0.91	C1(O)C=C2O[C@@H](C3C=C(O)C(O)=C(O)C=3)[C@H](O)CC2=C(O)C=1
MCULE-1292125513	0.91	O1[C@@H]([C@H](O)CC2C(=CC(O)=CC1=2)O)C1=CC=C(C(O)=C1)O
MCULE-1532117250	0.91	C1C(O)=C2C[C@@H]([C@H](OC2=CC=1O)C1C=C(O)C(O)=CC=1)O
MCULE-4522193885	0.91	C1(O)C=C2O[C@@H]([C@H](CC2=C(O)C=1)O)C1C=C(O)C(O)=C(O)C=1
MolPort-002-834-808	0.90	O[C@@H]1CC2=C(O[C@H]1C1=CC=CC=C1)C=CC=C2
MCULE-3458953916	0.90	O1C2C=CC=CC=2C[C@@H](O)[C@@H]1C1C=CC=CC=1
MolPort-039-338-425	0.87	COC1=CC(OC)=C2C[C@H](O)[C@H](OC2=C1)C1=CC(O)=C(OC)C=C1
MCULE-4204496934	0.87	C1(OC)C=C2O[C@H](C3C=CC(OC)=C(O)C=3)[C@@H](O)CC2=C(OC)C=1
MCULE-3426201479	0.85	C12C=C(C=CC(=O)C=1C=CC=C2[C@@H]1[C@H](O)CC2C(O)=CC(O)=CC=2O1)[C@@H]1[C@H](O)CC2C(O)=CC(O)=CC=2O1
MCULE-4359209086	0.85	C1(OC)C=C2O[C@H](C3C=CC(O)=CC=3)CCC2=C(O)C=1C
MCULE-1366630724	0.85	C1(OC)C=C2O[C@H](C3C=CC(O)=C(OC)C=3)[C@H](O)CC2=C(OC)C=1
MCULE-5830685626	0.85	C1(OC)C=C2O[C@H](C3C=CC(O)=CC=3)CCC2=CC=1
MolPort-039-338-585	0.85	COC1=C(C)C(O)=C2CC[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-039-052-458	0.85	COC1=CC(OC)=C2C[C@@H](O)[C@H](OC2=C1)C1=CC(OC)=C(O)C=C1
MolPort-044-754-098	0.85	COC1=CC=C2CC[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-002-834-813	0.84	COC(CC1=C(OCC2=CC=CC=C2)C=C(OC)C=C1)C(O)C1=CC=CC=C1
MCULE-9218975393	0.84	[C@H]1([C@@H](O)[C@@H](C2=CC=C(O)C=C2O1)O)C1C=CC(O)=C(O)C=1
MCULE-3935146797	0.84	[C@@H]1([C@H](O)[C@H](C2=CC=C(O)C=C2O1)O)C1C=CC(O)=C(O)C=1
MCULE-3220376293	0.84	C1(OCC2C=CC=CC=2)C=C(OC)C=CC=1CC(OC)C(O)C1=CC=CC=C1
MCULE-6382811837	0.84	O1[C@H]([C@H](O)CC2C(=CC(OC)=CC1=2)OC)C1C=CC(=C(OC)C=1)OC
MCULE-3980393912	0.84	C1(C)(CC(C)(C)C2=C(C=C(C=C2)O)O1)C1=CC=C(C=C1O)O
MolPort-002-834-811	0.84	COC1=CC2=C(C[C@@H](O)[C@@H](O2)C2=CC(OC)=C(OC)C=C2)C(OC)=C1
MolPort-003-712-960	0.84	CC1(C)CC(C)(OC2=CC(O)=CC=C12)C1=C(O)C=C(O)C=C1
MCULE-3722830096	0.83	C1(O)C=C2OC[C@](O)(CC3C=CC(O)=CC=3)[C@H](OC)C2=CC=1
MCULE-9790777412	0.83	C1(O)C=C2OC[C@](O)(CC3C=CC(O)=CC=3)[C@@H](OC)C2=CC=1
MolPort-027-946-813	0.83	O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C(CC1=CC=CC=C1)=C(O)C=C2O
MolPort-039-338-555	0.83	CO[C@@H]1C2=CC=C(O)C=C2OC[C@]1(O)CC1=CC=C(O)C=C1
MolPort-035-705-953	0.83	CO[C@H]1C2=CC=C(O)C=C2OC[C@]1(O)CC1=CC=C(O)C=C1
MCULE-6429597192	0.82	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-3029164834	0.82	C1(O)C=C2O[C@H]([C@H](O)C(C2=C(O)C=1)=O)C1C=CC(O)=CC=1
MolPort-001-741-294	0.82	O[C@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1
MolPort-016-638-406	0.82	O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-039-338-091	0.81	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C(C5[C@@H](O)[C@H](OC6=CC(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1
MolPort-003-959-148	0.81	O[C@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=C3C(O)=CC(O)=C4)C3=CC(O)=C(O)C=C3)=C2O[C@@H]1C1=CC(O)=C(O)C=C1
MolPort-003-932-480	0.81	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C3C(O)=CC(O)=C4)C3=CC(O)=C(O)C=C3)=C2O[C@@H]1C1=CC(O)=C(O)C=C1
MolPort-003-927-506	0.81	O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C3C(O)=CC(O)=C4)C3=CC(O)=C(O)C=C3)=C2O[C@@H]1C1=CC(O)=C(O)C=C1
MolPort-039-142-001	0.81	O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-005-945-530	0.81	O[C@H]1[C@@H](OC2=CC(O)=CC=C2C1=O)C1=CC=C(O)C=C1
MolPort-001-741-626	0.81	O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=CC=C1
MCULE-5229560297	0.81	O[C@H]1[C@H](C2C3O[C@@H]([C@H](CC=3C(O)=CC=2O)O)C2C=C(O)C(O)=CC=2)C2C(=CC(=CC=2O[C@@H]1C1C=C(O)C(O)=CC=1)O)O
MCULE-2360599707	0.81	O[C@H]1[C@H](C2=C(O)C=C(O)C3=C2O[C@H](C2C=CC(O)=C(O)C=2)[C@@H](C3)O)C2C(=CC(=CC=2O)O)O[C@@H]1C1C=CC(O)=C(O)C=1
MCULE-4879610005	0.81	C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O)[C@@H](C3C(O)=CC(O)=C4C[C@H](O)[C@@H](C5C=C(O)C(O)=CC=5)OC4=3)C2=C(O)C=1
MCULE-7364169831	0.81	C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O)[C@@H](C3C(O)=CC(O)=C4C[C@@H](O)[C@@H](C5C=C(O)C(O)=CC=5)OC4=3)C2=C(O)C=1
MCULE-5559057559	0.81	C1(O)C=C2O[C@H]([C@@H](C(C2=CC=1)=O)O)C1C=CC(O)=CC=1
MCULE-4463093454	0.81	C12C(O)=CC(O)=CC=1O[C@H](C1C=CC=CC=1)[C@@H](O)C2=O
MCULE-4560358638	0.81	C1(O)C=C2O[C@H](C3C=CC=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-9182612724	0.81	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=CC=1
MolPort-001-740-729	0.80	COC1=CC(O)=C2C(=O)[C@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1
MCULE-3159000697	0.80	C1(OC)C=C2O[C@@H]([C@@H](O)C(C2=C(O)C=1)=O)C1C=CC(O)=CC=1
MCULE-1545228810	0.80	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MolPort-039-052-502	0.80	COC1=CC=C(C=C1)[C@H]1OC2=CC(OC)=CC(OC)=C2C(=O)[C@@H]1O
MolPort-046-158-526	0.79	COC1=C2C(=O)[C@H](O)[C@H](OC2=CC(O)=C1)C1=CC=CC=C1
MCULE-1604093945	0.79	C1(O)C=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MolPort-035-683-152	0.79	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=C(O)C=C1
MolPort-039-338-511	0.78	COC1=CC(O)=CC=C1CCC(C1=CC=C(O)C=C1)C1=C(O)C(C)=C2O[C@H](CCC2=C1)C1=CC=C(O)C=C1
MolPort-039-338-397	0.78	COC1=C(C)C(O)=C2C(=O)[C@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-002-834-815	0.78	C1CC2=C(OC1C1=CC=CC=C1)C=CC=C2
MolPort-035-683-149	0.78	COC1=C(O)C=C(C=C1)[C@@H]1CCC2=CC=C(O)C=C2O1
MCULE-7535201943	0.78	C1(O)C(C)=C2O[C@@H](C3C=CC(O)=CC=3)CCC2=CC=1C(CCC1C(OC)=CC(O)=CC=1)C1C=CC(O)=CC=1
MCULE-5733387532	0.78	C1(OC)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C
MCULE-8270473394	0.78	O1C(C2=CC=CC=C2)CCC2C=CC=CC1=2
MCULE-8583168504	0.78	C1(O)C=C2O[C@H](C3C=CC(OC)=C(O)C=3)CCC2=CC=1
MCULE-6286398411	0.78	C1(O)C=C2O[C@H](C3C=CC=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-3714829206	0.78	C1(O)C=C2O[C@H](C3C(O)=CC=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-9557247198	0.78	C1(O)C=C2OC[C@](O)(CC3C=CC(O)=C(O)C=3)[C@H](OC)C2=CC=1
MCULE-7688686969	0.78	C1(O)C=C2OC[C@](O)(CC3C=CC(O)=C(O)C=3)[C@@H](OC)C2=CC=1
MolPort-019-937-165	0.78	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=CC=C1
MolPort-001-742-736	0.78	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=CC=C1O
MolPort-044-754-167	0.78	CO[C@@H]1C2=CC=C(O)C=C2OC[C@]1(O)CC1=CC(O)=C(O)C=C1
MolPort-039-052-647	0.78	CO[C@H]1C2=CC=C(O)C=C2OC[C@]1(O)CC1=CC(O)=C(O)C=C1
MolPort-001-742-772	0.77	O[C@@H]1CC2=C(O[C@H]1C1=CC(O)=C(O)C=C1)C=C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C=C2O
MolPort-023-279-005	0.77	COC1=CC(OC)=C2C[C@@H](O)[C@H](OC2=C1)C1=CC2=C(OCO2)C=C1
MolPort-046-158-536	0.77	COC1=C(O)C=C2CC[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-000-881-238	0.77	O[C@H]1C2=CC=C(O)C=C2OC[C@]1(O)CC1=CC=C(O)C(O)=C1
MCULE-8022818849	0.77	C1(=CC(=C2C(O[C@@H](C3=CC=C(C(O)=C3)O)[C@H](O)C2)=C1)O)OC(=O)C1=CC(O)=C(O)C(O)=C1
MCULE-9583531134	0.77	C1(OC)C=C2O[C@H](C3C=CC4OCOC=4C=3)[C@H](O)CC2=C(OC)C=1
MCULE-8487893667	0.77	C1(O)C=C2OC[C@](O)(CC3C=CC(O)=C(O)C=3)[C@@H](O)C2=CC=1
MCULE-6477005466	0.77	O=C1C2C(=C(C=C(C=2O)O)[C@H]2OC3C=C(C=C(O)C=3C[C@H]2O)O)C=C([C@H]2OC3C=C(C=C(O)C=3C[C@H]2O)O)C=C1O
MCULE-6543286448	0.77	O=C1C2C(=C(C=C(C=2O)O)[C@H]2OC3C=C(C=C(O)C=3C[C@H]2O)O)C=C([C@H]2OC3C=C(C=C(O)C=3C[C@H]2O)O)C=C1O
MolPort-027-720-916	0.77	O[C@@H]1CC2=C(O[C@@H]1C1=C3C=C(C=C(O)C(=O)C3=C(O)C(O)=C1)[C@H]1OC3=C(C[C@H]1O)C(O)=CC(O)=C3)C=C(O)C=C2O
MolPort-039-052-353	0.77	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=C2C=C(C=C(O)C(=O)C2=C(O)C(O)=C1)C1OC2=C(C[C@H]1O)C(O)=CC(O)=C2
MCULE-2327386216	0.76	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-4254870575	0.76	C12C(O)=CC(=CC=1OC(C(O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-2394173874	0.76	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-2692728789	0.76	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-2809167723	0.76	C12=C(O)C=C(C=C1OC(C(O)C2=O)C1=CC(O)=C(C(O)=C1)O)O
MCULE-2567986775	0.76	O1C2=CC(=CC(=C2C([C@H]([C@@H]1C1=CC=C(C(=C1)O)O)O)=O)O)O
MCULE-6698156528	0.76	O1C2=CC(=CC(=C2C([C@@H]([C@@H]1C1=CC(=C(C(=C1)O)O)O)O)=O)O)O
MCULE-2296975795	0.76	C12=C(O)C=C(C=C1O[C@@H]([C@@H](O)C2=O)C1=CC(O)=C(C(O)=C1)O)O
MCULE-4871721304	0.76	C12C(O)=CC(=CC=1O[C@H]([C@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-4234355840	0.76	C12(CCCCC1C1(CCCCC1)C1=C(C=C(C=C1)O)O2)C1=CC=C(C=C1O)O
MCULE-6399041726	0.76	C12(CCCC1C1(CCCC1)C1C(=CC(=CC=1)O)O2)C1C=CC(=CC=1O)O
MolPort-001-740-800	0.76	OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C(O)=C1
MolPort-001-740-892	0.76	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
MolPort-006-069-341	0.76	O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C(O)=C1
MolPort-002-718-925	0.76	OC1C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1
MolPort-003-850-396	0.76	O[C@@H]1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
MolPort-009-684-203	0.76	O[C@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
MolPort-001-989-504	0.76	OC1=CC(O)=C(C=C1)C12CCCCC1C1(CCCCC1)C1=C(O2)C=C(O)C=C1
MolPort-044-586-850	0.75	COC1=CC=C2CCC(CO)OC2=C1
MolPort-046-153-080	0.75	O[C@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=C5[C@@H]6[C@H](O)[C@@](OC7=CC(O)=CC(O)=C67)(OC5=CC(O)=C34)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)=C2O[C@@H]1C1=CC=C(O)C=C1
MolPort-046-033-682	0.75	CC1=CC(O)=C([C@H]2[C@H](O)[C@H](OC3=CC(O)=CC(O)=C23)C2=CC(O)=C(O)C=C2)C2=C1C[C@@](C)(O)[C@H](O2)C1=CC(O)=C(O)C=C1
MCULE-8336811002	0.75	CC1C2C[C@](O)(C)[C@@H](C3C=CC(O)=C(O)C=3)OC=2C([C@@H]2C3C(=CC(O)=CC=3O)O[C@H](C3C=CC(O)=C(O)C=3)[C@H]2O)=C(O)C=1
MCULE-8133441488	0.75	C1(O)C=C2O[C@]3(OC4C([C@H]([C@@H]3O)C2=C(O)C=1)=C1O[C@H](C2C=CC(O)=CC=2)[C@@H](O)[C@H](C2C(O)=CC(O)=C3C[C@H](O)[C@@H](C5C=CC(O)=CC=5)OC3=2)C1=C(O)C=4)C1C=CC(O)=CC=1
MCULE-5340165807	0.75	C1(O)C=C2OC(C(C(=O)C2=CC=1)O)C1C=C(O)C(O)=C(O)C=1
MCULE-3231582881	0.75	[C@H]1([C@@H](O)C(C2C=CC(O)=CC=2O1)=O)C1C=CC(O)=C(O)C=1
MCULE-5665116242	0.75	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)C(=O)C2=CC=1
MCULE-6489590055	0.75	C1(O)C=C2OC[C@@]3(O)C4C=CC(OC)=C(C[C@H](O)C(O)(C)C)C=4O[C@@]3([H])C2=CC=1
MCULE-9634821184	0.75	O1C2C=C(O)C=CC=2C([C@H](O)[C@H]1C1=CC(O)=C(C(O)=C1)O)=O
MCULE-6480805780	0.75	C1(=O)C2=CC=CC=C2OC(C2C=CC=CC=2)C1O
MCULE-2295691776	0.75	[C@@H]1([C@H](O)C(C2C=CC=CC=2O1)=O)C1C=CC=CC=1
MCULE-8632464766	0.75	[C@H]1(C2=CC=C3OC(C4=CC=CC=C4)(C4=CC=CC=C4)OC3=C2)OC2=CC(O)=CC(O)=C2C[C@@H]1O
MCULE-1480766301	0.75	C1(OC)=CC(O)=C2C([C@@H]([C@@H](C3C=CC(O)=C(O)C=3)OC2=C1)O)=O
MCULE-1856015315	0.75	O(C)C1C=CC([C@H]2OC3=CC(O)=CC(O)=C3C([C@@H]2O)=O)=CC=1O
MolPort-003-665-793	0.75	O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C1=CC(O)=C(O)C(O)=C1
MolPort-044-723-370	0.75	COC1=C(C[C@H](O)C(C)(C)O)C2=C(C=C1)[C@]1(O)COC3=CC(O)=CC=C3[C@@H]1O2
MolPort-006-069-167	0.75	O[C@@H]1[C@H](OC2=C(C=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1
MolPort-000-447-968	0.75	OC1C(OC2=C(C=CC=C2)C1=O)C1=CC=CC=C1
MolPort-002-903-721	0.75	O[C@H]1[C@@H](OC2=C(C=CC=C2)C1=O)C1=CC=CC=C1
MolPort-006-142-302	0.75	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC2=C(OC(O2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
MolPort-001-741-843	0.75	COC1=C(O)C=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-001-740-727	0.75	COC1=CC2=C(C(O)=C1)C(=O)[C@H](O)[C@H](O2)C1=CC(O)=C(O)C=C1
MolPort-046-790-451	0.75	OC1=CC2=C(C=C1)[C@]1(O)COC3=CC(O)=CC=C3[C@@H]1O2
MolPort-002-800-157	0.74	C1CC(OC2=CC=CC=C12)(C1=CC=CC=C1)C1=CC=CC=C1
MolPort-044-754-125	0.74	COC1=C2CC[C@H](OC2=C2[C@H]3C(O)[C@](OC4=CC(O)=C(C)C(OC)=C34)(OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1
MolPort-044-754-126	0.74	COC1=C2CC[C@H](OC2=C2[C@@H]3C(O)[C@@](OC4=CC(O)=C(C)C(OC)=C34)(OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1
MolPort-035-683-165	0.74	CC(C)=CCC1=C(O)C=CC(=C1)[C@@H]1CCC2=CC=C(O)C=C2O1
MolPort-039-338-421	0.74	CC(C)(O)CCC1=C(O)C=CC2=C1O[C@@H]1[C@H]2COC2=CC(O)=CC=C12
MCULE-7385977679	0.74	C1(C2C=CC=CC=2)(C2C=CC=CC=2)CCC2=C(C=CC=C2)O1
MCULE-5471184122	0.74	C1(O)C=C2O[C@]3(OC4C(=C5O[C@H](C6C=CC=CC=6)CCC5=C(OC)C=4)[C@H](C3O)C2=C(OC)C=1C)C1C=CC=CC=1
MCULE-6392513488	0.74	C1(O)C=C2O[C@H](C3C=CC(O)=C(C/C=C(\C)/C)C=3)CCC2=CC=1
MCULE-6644566955	0.74	C1(O)C=C2OC[C@@]3([H])C4C=CC(O)=C(CCC(O)(C)C)C=4O[C@@]3([H])C2=CC=1
MCULE-8154919951	0.74	C1(OC)C=C2O[C@H](C3C=CC(OC)=C(OC)C=3)CCC2=CC=1
MCULE-4027265832	0.74	C12(CCCCC1C1(CCCCC1)C1C(=CC(=CC=1)OC)O2)C1=CC=C(C=C1O)OC
MCULE-4812868362	0.74	OC1C(O)=CC([C@@H]2OC3C(C([C@H]2O)=O)=C(O)C(C)=C(O)C=3)=CC=1O
MCULE-6991857034	0.74	OC1C=CC([C@@H]2OC3=CC(O)=C(C)C(O)=C3C([C@H]2O)=O)=CC=1O
MCULE-6930739422	0.74	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1=CC=C(C=C1)O)OC/C=C(\C)/C
MCULE-4339356924	0.74	C1(O[C@H]2[C@H](O)[C@](CO)(O)CO2)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)CC2=C(O)C=1
MCULE-1338747805	0.74	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1C
MCULE-4382912006	0.74	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@H](OC(=O)C3C=C(O)C(O)=C(O)C=3)CC2=C(O)C=1
MCULE-8224104004	0.74	C1(OC)C=C2O[C@H](C3C=CC(OC)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-4817576208	0.74	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-7586369120	0.74	C12=C(CCC(C3=CC=CC=C3)O1)C=C(C=O)C(O)=C2C
MCULE-2605725094	0.74	C1(O)C=C2O[C@H](C3C=C(O)C(OC)=C(O)C=3)[C@@H](O)C(=O)C2=CC=1
MolPort-035-683-133	0.74	COC1=CC=C2CC[C@H](OC2=C1)C1=CC(OC)=C(OC)C=C1
MolPort-002-722-724	0.74	COC1=CC(O)=C(C=C1)C12CCCCC1C1(CCCCC1)C1=CC=C(OC)C=C1O2
MolPort-046-153-068	0.74	OC[C@@]1(O)CO[C@@H](OC2=CC(O)=C3C[C@H](O)[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@@H]1O
MolPort-039-141-838	0.74	CC1=C(O)C2=C(O[C@@H]([C@@H](O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O
MolPort-046-508-979	0.74	OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1
MolPort-001-742-561	0.74	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	0.74	CC1=C(O)C2=C(O[C@@H]([C@@H](O)C2=O)C2=CC(O)=C(O)C(O)=C2)C=C1O
MolPort-005-944-657	0.74	CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C1=CC(O)=C(O)C(O)=C1
MolPort-005-945-431	0.74	CC1=C(O)C=C2O[C@H]([C@H](O)C(=O)C2=C1O)C1=CC(O)=C(O)C=C1
MolPort-035-706-517	0.74	COC1=CC2=C(C(O)=C1)C(=O)[C@H](O)[C@H](O2)C1=CC(O)=C(OC)C=C1
MolPort-003-803-581	0.74	CC1=C2OC(CCC2=CC(C=O)=C1O)C1=CC=CC=C1
MolPort-035-705-961	0.74	COC1=C(O)C=C(C=C1O)[C@H]1OC2=CC(O)=CC=C2C(=O)[C@@H]1O
MolPort-002-722-047	0.73	CC1=C(O)C=CC(=C1O)C12CCCCC1C1(CCCCC1)C1=C(O2)C(C)=C(O)C=C1
MolPort-002-722-725	0.73	CC1=C2OC3(CCCC3C3(CCCC3)C2=CC=C1O)C1=C(O)C(C)=C(O)C=C1
MolPort-039-338-240	0.73	COC1=CC2=C(C=C1)[C@]1(O)COC3=CC(OC)=CC=C3[C@@H]1O2
MolPort-039-338-432	0.73	COC1=CC2=C(C=C1)[C@]1(O)COC3=CC(O)=CC=C3[C@@H]1O2
MolPort-044-637-455	0.73	COC1=CC2=C(C=C1)C1(O)COC3=CC(OC)=CC=C3C1O2
MCULE-6826487644	0.73	C1(=O)C2C=CC=CC=2OC(C2C=CC(=CC=2)O)C1OC
MCULE-7399663963	0.73	C12(CCCC1C1(CCCC1)C1C(=C(C)C(=CC=1)O)O2)C1=CC=C(C(C)=C1O)O
MCULE-8572152614	0.73	C12=C(C)C(O)=CC=C1C1(CCCCC1)C1CCCCC1(C1C=CC(O)=C(C)C=1O)O2
MCULE-9092662787	0.73	C1(OC)C=C2OC[C@@]3(O)C4C=CC(OC)=CC=4O[C@@]3([H])C2=CC=1
MCULE-5349925677	0.73	C1C=C2C3OC4C=C(OC)C=CC=4C3(O)COC2=CC=1OC
MCULE-3432402039	0.73	C1(O)C=C2OC[C@@]3(O)C4C=CC(OC)=CC=4O[C@@]3([H])C2=CC=1
MCULE-5242974703	0.73	C1(OC)C(CC(O)C(O)(C)C)=C2OC(C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MCULE-5852778653	0.73	C12C(O)=CC(=CC=1O[C@H](CC2=O)C1C=CC(=CC=1)O)O
MCULE-4005429744	0.73	C1C(=O)C2=C(O)C=C(O)C=C2O[C@@H]1C1C=CC(O)=CC=1
MCULE-3254872691	0.73	C12C(O)=CC(=CC=1O[C@H](CC2=O)C1C=CC(=CC=1)O)O
MCULE-5489217450	0.73	C12C(O)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)O)O
MCULE-7070254335	0.73	O1C2C=CC=CC=2C(CC1C1=CC=CC=C1)C1C=CC=CC=1
MCULE-2527326110	0.73	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MolPort-019-937-045	0.73	COC1=CC(OC)=C2C(=O)CC(OC2=C1CC(O)C(C)(C)O)C1=CC=CC=C1
MolPort-002-507-277	0.73	OC1=CC=C(C=C1)[C@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-001-796-145	0.73	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-046-767-774	0.73	OC1CC(OC2=C1C=CC=C2)C1=CC=CC=C1
MolPort-000-861-091	0.73	OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-002-800-128	0.73	C1C(OC2=C(C=CC=C2)C1C1=CC=CC=C1)C1=CC=CC=C1
MolPort-001-742-462	0.72	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-028-599-887	0.72	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O
MCULE-9439004515	0.72	C12C(O)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)OC)O
MCULE-6964743359	0.72	C12C(O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC(=CC=1)OC)O
MCULE-1449412458	0.72	CC1(OC2=C(C=CC(=C2)O)CC1)C
MCULE-7760530136	0.72	O1[C@H](C2C=C(O)C(=C(O)C=2)O)[C@H](OC(=O)C2C=C(O)C(=C(O)C=2)O)CC2=C(C=C(O)C=C12)O
MCULE-1925476027	0.72	C1(O)C=C2O[C@@H](C3C=C(O)C(O)=C(O)C=3)[C@H](OC(=O)C3C=C(O)C(O)=C(O)C=3)CC2=C(O)C=1
MCULE-4110327431	0.72	[C@@H]1(OC2=C(C(O)=CC(O)=C2)C[C@H]1OC(=O)C1C=C(C(O)=C(O)C=1)O)C1=CC=C(O)C(O)=C1
MCULE-3978866251	0.72	[C@H]1(OC2=C(C(O)=CC(O)=C2)C[C@H]1OC(=O)C1C=C(C(O)=C(O)C=1)O)C1=CC=C(O)C(O)=C1
MCULE-8110076741	0.72	C1=C(C=C2C(C[C@@H](OC(C3C=C(O)C(O)=C(O)C=3)=O)[C@@H](C3=CC=C(C(O)=C3)O)O2)=C1O)O
MCULE-8215821193	0.72	C1C2=C(C[C@@H]([C@@H](O2)C2C=C(O)C(O)=C(O)C=2)OC(C2C=C(O)C(O)=C(O)C=2)=O)C(O)=CC=1O
MCULE-9913176697	0.72	OC1C=C2C(CC(C(C3C=CC(O)=C(O)C=3)O2)OC(C2C=C(O)C(O)=C(O)C=2)=O)=C(O)C=1
MCULE-2467245336	0.72	C1(O)=CC(O)=C2C(O[C@@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](C2)OC(=O)C2C=C(O)C(O)=C(O)C=2)=C1
MCULE-9752626908	0.72	O1C(C2C=C(O)C(=C(O)C=2)O)C(OC(=O)C2C=C(O)C(=C(O)C=2)O)CC2=C(C=C(O)C=C12)O
MCULE-6888108556	0.72	C1(OC2C(O)C(O)C(CO)O2)C=C2OC(C3C=CC(O)=CC=3)C(O)CC2=C(O)C=1
MCULE-3341525983	0.72	C1(=CC(=C2C(=C1)O[C@H](C1=CC(O)=C(O)C(O)=C1)[C@H](OC(C1C=C(O)C(O)=C(O)C=1)=O)C2)O)O
MCULE-9046067244	0.72	C1(=CC(=C2C(=C1)O[C@H](C1=CC(O)=C(O)C(O)=C1)[C@@H](OC(C1C=C(O)C(O)=C(O)C=1)=O)C2)O)O
MCULE-9356975267	0.72	C1(O)C=C2O[C@@H](C3C=CC(O)=C(O)C=3)[C@H](OC(C3C=C(O)C(O)=C(O)C=3)=O)CC2=C(O)C=1
MCULE-8268936512	0.72	O1C2C=CC=CC=2C(CC1C1C=CC=CC=1)C1C=CC(=CC=1)C
MCULE-3324744620	0.72	[C@H]1(C2=CC=C(C)C=C2)OC2=C(C=CC=C2)C(=O)[C@@]1(O)C
MCULE-4941209175	0.72	[C@]12(O)C3C(OC)=CC(OC)=CC=3O[C@@]1(C1C=CC(OC)=CC=1)[C@H](C1C=CC=CC=1)C[C@H]2O
MCULE-6631561492	0.72	C1C(=O)C2C(=CC(O)=CC=2O)O[C@@H]1C1C=CC=CC=1
MCULE-9302131889	0.72	C1(O)C=C2OC(C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-5637234780	0.72	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
MCULE-9370973230	0.72	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-2064774552	0.72	OC1C=CC(C2OC3=CC(O)=CC=C3C(=O)C2)=CC=1
MCULE-5306878717	0.72	C12=CC(O)=CC=C1C(=O)C[C@@]([H])(C1C=CC(=CC=1)O)O2
MolPort-000-882-101	0.72	CC1(C)CCC2=CC=C(O)C=C2O1
MolPort-009-198-789	0.72	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1
MolPort-009-758-814	0.72	OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
MolPort-019-936-933	0.72	OCC1OC(OC2=CC(O)=C3CC(O)C(OC3=C2)C2=CC=C(O)C=C2)C(O)C1O
MolPort-003-940-604	0.72	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1
MolPort-035-784-136	0.72	O.OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
MolPort-001-740-964	0.72	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1
MolPort-002-800-130	0.72	CC1=CC=C(C=C1)C1CC(OC2=C1C=CC=C2)C1=CC=CC=C1
MolPort-001-741-358	0.72	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
MolPort-003-941-527	0.72	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
MolPort-042-675-352	0.72	OC1=CC2=C(C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
MolPort-035-706-118	0.72	COC1=CC=C(C=C1)[C@@]12OC3=CC(OC)=CC(OC)=C3[C@]1(O)[C@H](O)C[C@H]2C1=CC=CC=C1
MolPort-005-944-750	0.72	OC1=CC=C(C=C1)C1CC(=O)C2=CC=C(O)C=C2O1
MolPort-002-509-256	0.72	OC1=CC2=C(C(=O)C[C@H](O2)C2=CC=CC=C2)C(O)=C1
MolPort-000-165-378	0.72	OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1
MolPort-002-511-352	0.72	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2
MolPort-004-952-374	0.72	OC1=CC(O)=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-035-683-158	0.71	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(OC)C=C2O1
MolPort-035-683-182	0.71	COC1=C2C(=O)C[C@H](OC2=CC(O)=C1)C1=CC=C(O)C=C1
MolPort-005-944-711	0.71	COC1=C2C(=O)CC(OC2=CC(O)=C1)C1=CC=C(O)C=C1
MolPort-039-052-519	0.71	COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-000-165-376	0.71	COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1
MolPort-002-800-148	0.71	CC1=CC=C(C=C1)C1CC(C2=CC=CC=C2)C2=C(O1)C=CC=C2
MolPort-002-722-525	0.71	COC1=CC(OCC(O)=O)=C(C=C1)C12CCCCC1C1(CCCCC1)C1=CC=C(OC)C=C1O2
MolPort-035-705-960	0.71	CC(=O)O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=CC=C1
MCULE-9865914914	0.71	C1(O)C=C2OC(CC(C2=C(OC)C=1)=O)C1C=CC(O)=CC=1
MCULE-3240859900	0.71	C1(OC)C=C2OC(CC(=O)C2=C(O)C=1)C1C=CC(O)=CC=1
MCULE-2862082028	0.71	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(O)C=1
MCULE-6698275589	0.71	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-1297538743	0.71	C1(OC)C=C2O[C@@H](CC(=O)C2=C(O)C=1)C1C=CC(O)=CC=1
MCULE-7155347141	0.71	O1C2=CC=CC=C2C(C(C)C1C1C=CC=CC=1)([H])O
MCULE-4839969130	0.71	O1C2C=CC=CC=2C(CC1C1=CC=C(C=C1)C)C1=CC=CC=C1
MCULE-5771493344	0.71	C1(O)C=C2O[C@H](C3C=CC=CC=3)[C@@H](OC(=O)C)C(=O)C2=C(O)C=1
MCULE-8402032608	0.71	C12(CCCCC1C1(CCCCC1)C1=C(C=C(C=C1)OC)O2)C1=CC=C(C=C1OCC(O)=O)OC
MCULE-2348892167	0.71	C1(C)(CC(C)(C)C2C(=CC(=C(Cl)C=2)O)O1)C1=CC(Cl)=C(C=C1O)O
MCULE-3480578044	0.71	CC1(OC2=C(C(=CC=C2)O)CC1)C
MCULE-8726416131	0.71	C1(O)C=C2O[C@@H](C3C=CC=CC=3)CC(=O)C2=CC=1
MCULE-2337043419	0.71	C12C=C(C=CC=1C(CC(C1=CC=CC=C1)O2)=O)O
MCULE-9673811637	0.71	C1(O)C=C2C(=C(C=1)O)C1C(C(C3=CC(=C(O)C=C3)O)(O2)OC2C1=C1OC(C(C(C1=C(O)C=2)C1C(O)=CC(O)=C2CC(O)C(C3C=C(O)C(O)=CC=3)OC=12)O)C1C=C(O)C(O)=CC=1)O
MCULE-3493265138	0.71	C12C(OC)=CC(=CC=1OC(C(O)C2=O)C1C=CC(=C(OC)C=1)OC)OC
MCULE-6010310511	0.71	C1(O)C=C2O[C@]3(OC4C(=C5O[C@H](C6C=CC(O)=C(O)C=6)[C@@H](O)CC5=C(O)C=4)[C@H]([C@@H]3O)C2=C(O)C=1)C1C=CC(O)=C(O)C=1
MCULE-7997155475	0.71	C1(O)C=C2O[C@H](C3C=C(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-9560944092	0.71	O[C@@H]1[C@@H](C2C(O)=CC(O)=C3C[C@H]([C@H](OC=23)C2C=C(O)C(O)=CC=2)O)C2C(=C3[C@@]4([C@@H](O)[C@](OC5C4=C(O)C=C(O)C=5)(C4C=C(O)C(O)=CC=4)OC3=CC=2O)[H])O[C@@H]1C1C=C(O)C(O)=CC=1
MCULE-3360689877	0.71	C1(O)C=C2O[C@]3(OC4C(=C5O[C@H](C6C=CC(O)=C(O)C=6)[C@H](O)CC5=C(O)C=4)[C@H]([C@@H]3O)C2=C(O)C=1)C1C=CC(O)=C(O)C=1
MCULE-7104867839	0.71	C1(C)C(O)=C2C(CC(OC2=CC=1O)C1C=CC(O)=CC=1)=O
MCULE-1231893585	0.71	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-8498690406	0.71	COC1=CC(OC)=CC2=C1C(=O)CC(C1=CC=C(OC)C=C1)O2
MCULE-8068976578	0.71	C12C(OC)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)O)OC
MCULE-2855478624	0.71	C1(O)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-8195585327	0.71	C1(O)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MolPort-002-724-219	0.71	CC1(C)CC(C)(OC2=CC(O)=C(Cl)C=C12)C1=C(O)C=C(O)C(Cl)=C1
MolPort-019-937-559	0.71	COC1=C(O)C=C2O[C@@H]([C@@H](O)C(=O)C2=C1)C1=CC=CC=C1
MolPort-022-373-452	0.71	CC1(C)CCC2=C(O1)C=CC=C2O
MolPort-039-338-586	0.71	OC1=CC=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-002-718-926	0.71	COC1=CC2=C(C(=O)C(O)C(O2)C2=CC(OC)=C(OC)C=C2)C(OC)=C1
MolPort-046-153-730	0.71	O[C@H]1CC2=C(O)C=C3O[C@@]4(OC5=CC(O)=CC(O)=C5[C@@H]([C@@H]4O)C3=C2O[C@@H]1C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1
MolPort-046-153-731	0.71	O[C@@H]1CC2=C(O)C=C3O[C@@]4(OC5=CC(O)=CC(O)=C5[C@@H]([C@@H]4O)C3=C2O[C@@H]1C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1
MolPort-001-741-525	0.71	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=C5C6C(O)C(OC7=CC(O)=CC(O)=C67)(OC5=CC(O)=C34)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1
MolPort-044-727-634	0.71	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C3C(O)=CC3=C4[C@@H]4[C@@H](O)[C@@](OC5=CC(O)=CC(O)=C45)(O3)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1
MolPort-046-158-479	0.71	O[C@H]1CC2=C(O)C=C3O[C@@]4(OC5=CC(O)=CC(O)=C5[C@@H]([C@H]4O)C3=C2O[C@@H]1C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1
MolPort-039-338-588	0.71	CC(C)=CCC1=CC(=CC(CC=C(C)C)=C1O)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-002-903-717	0.71	OC1=CC2=C(C=C1)C(=O)CC(O2)C1=CC=CC=C1
MolPort-039-338-389	0.71	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(OC)C=C(O)C=C2O1
MolPort-046-158-489	0.71	CC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-001-740-534	0.71	CC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-052-470	0.71	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(OC)C=C(OC)C=C2O1
MolPort-039-339-073	0.71	CC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
MolPort-035-765-284	0.70	CC1(C)CC(O)C2=C(O1)C=CC=C2O
MolPort-002-903-767	0.70	CC1(C)CC(O)C2=C(O1)C=C(OCC1=CC=C(Cl)C=C1)C=C2
MolPort-002-725-607	0.70	COC1=CC(OC(C)C(O)=O)=C(C=C1)C12CCCCC1C1(CCCCC1)C1=CC=C(OC)C=C1O2
MolPort-001-740-709	0.70	COC1=C2C(=O)CC(OC2=CC(O)=C1)C1=CC=CC=C1
MolPort-009-754-963	0.70	COC1=CC(O)=CC2=C1C(=O)C[C@H](O2)C1=CC=CC=C1
MolPort-001-741-519	0.70	COC1=CC(O)=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-001-798-612	0.70	CC1=CC(O)=C(C=C1)C1(C)CC(C)(C)C2=CC=C(C)C=C2O1
MolPort-003-939-134	0.70	COC1=CC2=C(C(=O)C[C@H](O2)C2=CC=CC=C2)C(O)=C1
MolPort-003-803-585	0.70	CC1=C2OC(C)(C)CCC2=CC=C1O
MolPort-044-754-120	0.70	OC1=CC=C(CC2COC3=CC(O)=CC=C3C2)C=C1
MolPort-002-846-527	0.70	CC1(C)CCC2=C3OC(C)(C)CCC3=CC=C2O1
MolPort-019-936-989	0.70	CC(C)=CCC1=C2O[C@H]([C@H](O)C(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
MolPort-039-142-006	0.70	CC(C)=CCC1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](O)C2=O)C1=CC=CC=C1
MCULE-2689818574	0.70	CC1(OC2=C(C(=CC=C2)O)C(O)C1)C
MCULE-2226167831	0.70	C12C(O)CC(C)(C)OC1=CC(=CC=2)OCC1=CC=C(Cl)C=C1
MCULE-6768586449	0.70	C12(CCCCC1C1(C3=CC=C(OC)C=C3O2)CCCCC1)C1=CC=C(C=C1OC(C)C(O)=O)OC
MCULE-5375467567	0.70	C12C=CC(C)=CC=1OC(C)(C1C=CC(C)=CC=1O)CC2(C)C
MCULE-8084114235	0.70	[C@H]1(C2=CC=CC=C2)OC2=CC(O)=CC(OC)=C2C(=O)C1
MCULE-7258052902	0.70	C1(OC)C=C2O[C@@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-5052743999	0.70	O=C1C2C(=CC(=CC=2OC(C2C=CC=CC=2)C1)OC)O
MCULE-6305563775	0.70	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MCULE-7826903505	0.70	C1(O)C=C2OC(C3C=CC=CC=3)CC(C2=C(OC)C=1)=O
MCULE-7196504979	0.70	C1(OC)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-5039398124	0.70	C1(O)C=C2OCC(CC3C=CC(O)=CC=3)CC2=CC=1
MCULE-1480965270	0.70	C12C(CCC(C)(C)O1)=CC=C(O)C=2C
MCULE-1692843751	0.70	C12CCC(OC=1C=CC1CCC(C)(C)OC2=1)(C)C
MCULE-1539908631	0.70	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-3335674808	0.70	OC1C=CC([C@@H]2OC3C(C(=O)[C@H]2O)=C(O)C=C(O)C=3C/C=C(\C)/C)=CC=1
MCULE-4107309014	0.70	C1(OC)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-7259979801	0.70	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1
MCULE-7442958115	0.70	OC1C=CC(C2OC3C(C(=O)C2)=C(O)C=C(O)C=3)=C(O)C=1
MCULE-5001672302	0.70	C1(C)C(O)=C2C(CC(OC2=C(C)C=1O)C1C=CC(O)=CC=1)=O
MCULE-6580599773	0.70	C1(O)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-7747662813	0.70	C1C=C2C(OC(CO)CC2)=CC=1
MCULE-6056489539	0.70	C12C(CCC(C)(C)O1)=CC1=C(OC(CC1)(C)C)C=2C
MCULE-7275500281	0.70	C1(OC)C=C2OC(CC(C2=C(OC)C=1)=O)C1C=CC=CC=1
MCULE-6753110271	0.70	C12=C(C)C(O)=CC(O)=C1C(C[C@@H](C1C=CC=CC=1)O2)=O
MCULE-7088351674	0.70	C1(O)C=C2OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]3([H])C2=CC=1
MolPort-005-945-643	0.70	OC1=CC(O)=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-035-705-966	0.70	OC1=CC=C([C@@H]2CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)=C1
MolPort-039-338-427	0.70	COC1=C(C)C(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-039-338-107	0.70	CC1=C(O)C(C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-001-740-535	0.70	CC1=C(O)C(C)=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-000-140-119	0.70	OCC1CCC2=CC=CC=C2O1
MolPort-002-846-540	0.70	CC1=C2OC(C)(C)CCC2=CC2=C1OC(C)(C)CC2
MolPort-023-298-970	0.70	OC1=CC2=C(C=C1)[C@@H]1COC3=CC(O)=CC=C3[C@@H]1O2
MolPort-046-790-389	0.70	COC1=CC(OC)=C2C(=O)C[C@@H](OC2=C1)C1=CC=CC=C1
MolPort-001-740-717	0.70	COC1=CC(OC)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1
MolPort-039-338-958	0.69	COC1=CC(=CC(O)=C1O)C(=O)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1
MolPort-039-338-957	0.69	COC1=CC(=CC(O)=C1O)C(=O)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1
MolPort-029-943-077	0.69	OC[C@H]1O[C@@H](OC2=CC(O)=C3C[C@@H](O)[C@@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
MolPort-019-937-467	0.69	OC[C@@]1(O)CO[C@@H](OC2=CC(O)=C3C[C@H](O)[C@H](OC3=C2)C2=CC(O)=C(O)C=C2)[C@@H]1O
MolPort-039-338-418	0.69	COC1=C(C)C(O)=C2C(=O)C[C@H](OC2=C1C)C1=CC=C(O)C=C1
MolPort-046-158-519	0.69	CCC(=O)O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=CC=C1
MolPort-002-135-318	0.69	C1C2C(OC3=CC=CC=C3C2OC2=C1C=CC=C2)C1=CC=CC=C1
MolPort-016-633-249	0.69	OC1=CC=C(C=C1)[C@@H]1OC2=C(C=C(O)C=C2)[C@@H]2CCC[C@H]12
MCULE-7381526517	0.69	C1(O[C@H]2[C@H](O)[C@](CO)(O)CO2)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)CC2=C(O)C=1
MCULE-4221565922	0.69	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@H](OC(=O)C3C=C(OC)C(O)=C(O)C=3)CC2=C(O)C=1
MCULE-7672128738	0.69	C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2O[C@@H](C3C=CC(O)=CC=3)[C@H](O)CC2=C(O)C=1
MCULE-9566890994	0.69	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@H](OC(=O)C3C=C(OC)C(O)=C(O)C=3)CC2=C(O)C=1
MCULE-9332914030	0.69	C12C=C(OC)C=CC=1C(CC(C1C=CC=CC=1)O2)=O
MCULE-4547911471	0.69	C1(OC)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-7369159476	0.69	C12CC3C=CC=CC=3OC1C1C(=CC=CC=1)OC2C1C=CC=CC=1
MCULE-1744197965	0.69	O1C2C=CC(=CC=2[C@@H]2CCC[C@@H]2[C@H]1C1=CC=C(C=C1)O)O
MCULE-8155191339	0.69	O1C2=CC=C(C=C2[C@@H]2CCC[C@@H]2[C@@H]1C1=CC=C(C=C1)O)O
MCULE-8334599085	0.69	C12C(O[C@@H](C3C=CC(O)=CC=3)[C@@H]3[C@H]1CCC3)=CC=C(O)C=2
MCULE-8743190189	0.69	C12C(=CC=CC=1OC(CC2=O)C1=CC=CC=C1)OC
MCULE-2947524782	0.69	C12=CC=C(C=C1OCC(O)C2C)C
MCULE-1272280425	0.69	C12C(=O)CC(OC=1C=C(OC)C(C)=C2O)C1C=CC=CC=1
MCULE-9197350217	0.69	C1(O)C=C2O[C@H](C3C(O)=CC=CC=3O)CC(=O)C2=C(O)C=1
MCULE-4287681592	0.69	C1(C=C2O[C@@H](C3C=CC(=CC=3)O)[C@H](C3C(O)=CC(O)=C4C(=O)[C@@H](O)[C@H](C5C=CC(O)=CC=5)OC=34)C(C2=C(O)C=1)=O)O
MCULE-6625145109	0.69	C1(C(OCC)=O)OC2=CC(OCC3=CC=CC=C3)=CC=C2CC1
MCULE-1263905230	0.69	C1(O)(C2=CC=CC=C2)CC(C2C=CC=CC=2)OC2C=CC=CC1=2
MCULE-1789939506	0.69	C12C=CC(CC)=CC=1OC(C)(C1C=CC(CC)=CC=1O)CC2(C)C
MCULE-2003622907	0.69	OCC1(OC2C(=C(C(=C(C)C=2CC1)OCC1C=CC=CC=1)C)C)C
MolPort-001-742-469	0.69	COC1=CC=CC2=C1C(=O)CC(O2)C1=CC=CC=C1
MolPort-019-741-218	0.69	CC1C(O)COC2=CC(C)=CC=C12
MolPort-029-943-067	0.69	OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=C(O)C=CC=C1O
MolPort-001-741-799	0.69	O[C@H]1[C@@H](OC2=C([C@H]3[C@@H](OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1
MolPort-002-800-135	0.69	OC1(CC(OC2=C1C=CC=C2)C1=CC=CC=C1)C1=CC=CC=C1
MolPort-046-790-523	0.69	OC1=CC=C(C[C@@]2(O)COC3=CC(O)=CC(O)=C3C2=O)C=C1
MolPort-004-960-064	0.68	OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=CC=C2
MolPort-044-754-168	0.68	CC(C)=CCC1=C(O)C(CC=C(C)C)=C(O)C(=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-042-624-490	0.68	COC1=C2C(=O)[C@H](O)[C@H](OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1
MolPort-003-665-707	0.68	COC1=CC=C2[C@@H]3COC4=C(C=CC(OC)=C4)[C@@H]3OC2=C1
MolPort-021-804-761	0.68	COC1=CC2=C(C=C1)C1COC3=CC(OC)=CC=C3C1O2
MolPort-001-741-647	0.68	COC1=CC=C2[C@@H]3COC4=C(C=CC(O)=C4)[C@@H]3OC2=C1
MolPort-028-599-892	0.68	COC1=CC2=C(C=C1)[C@@H]1OC3=CC(O)=CC=C3[C@@H]1CO2
MolPort-038-386-510	0.68	COC1=CC(OC)=C2[C@@H](O)C[C@@H](OC2=C1CC=C(C)C)C1=CC=CC=C1
MolPort-019-937-108	0.68	COC1=C2C(=O)CC(OC2=C2C3C(OC2=C1)C3(C)C)C1=CC=CC=C1
MolPort-002-509-177	0.68	CC1[C@@H]2OC3=C(C=CC=C3)[C@@H]1OC1=CC=CC=C21
MolPort-001-895-261	0.68	CC1C2OC3=C(C=CC=C3)C1OC1=C2C=CC=C1
MCULE-1882794966	0.68	C1(C)(CC(C2C=C(C)C(C)=CC=2O1)(C)C)C1=CC(=C(C)C=C1O)C
MCULE-6331583005	0.68	O1C(C2C=CC(=CC=2)O)CC(C2C=CC=CC=21)=O
MCULE-3703285153	0.68	C1(O)C=C2O[C@H](C3C(O)=C(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-8139621595	0.68	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MCULE-4427780251	0.68	C12=C(C)C(OC)=CC(O)=C1C(CC(C1C=CC=CC=1)O2)=O
MCULE-5959965010	0.68	C1C=C2C3OC4C=C(OC)C=CC=4C3COC2=CC=1OC
MCULE-5353674856	0.68	C1(OC)C=C2OC[C@@]3([H])C4C=CC(OC)=CC=4O[C@@]3([H])C2=CC=1
MCULE-5135124970	0.68	C1(OC)C=C2OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]3([H])C2=CC=1
MCULE-2988094761	0.68	C1=C(O)C=C2C([C@]3([H])OC4=C([C@]3([H])CO2)C=CC(OC)=C4)=C1
MCULE-2108662486	0.68	C12OC3C(C)(C)C3C1=C1OC(C3C=CC=CC=3)CC(C1=C(OC)C=2)=O
MCULE-8341034209	0.68	C12C3=CC=CC=C3OC(C3=C(C=CC=C3)O1)C2C
MCULE-4825912585	0.68	C12C3C=CC=CC=3OC(C)(C)C1O2
MCULE-8604836333	0.68	C12OC(C)(C)CCC1=C1O[C@H](C3C=CC=CC=3)CC(=O)C1=C(O)C=2
MCULE-3225229511	0.68	C1(O)C(O)=CC([C@H]2OC3C=C(O)C=C(O)C=3C(=O)C2)=CC=1
MCULE-8678602121	0.68	C1(O)=CC(O)=C2C(CC(C3C=CC(O)=C(O)C=3)OC2=C1)=O
MCULE-1688833251	0.68	C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-7161357590	0.68	[C@@H]1([C@H](O)C(C2C=CC=CC=2O1)=O)C1=CC=C(Cl)C=C1
MCULE-6254841864	0.68	C1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O2)CO)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)CC2=C(O)C=1
MCULE-5357027007	0.68	C1=C2OC(C3=CC=C(OC)C=C3)CC(=O)C2=CC=C1
MCULE-2901039944	0.68	C(C=C)OC1=CC(OCC=C)=C(C23OC4=CC(OCC=C)=CC=C4C4(CCCCC4)C2CCCC3)C=C1
MCULE-7233709477	0.68	C12C(=O)CC(OC=1C(=C(O)C(C)=C2O)C=O)C1=CC=CC=C1
MCULE-3924606015	0.68	C1(O)C=C2O[C@H](C3C=C(O)C=C(O)C=3)CC(=O)C2=C(O)C=1
MCULE-7062463801	0.68	C1(OC(=O)C)C=C2O[C@H](C3C=CC=CC=3)[C@@H](OC(=O)C)C(=O)C2=C(O)C=1
MolPort-046-158-465	0.68	COC1=CC=C(C[C@]2(O)COC3=CC(O)=CC(O)=C3C2=O)C=C1
MolPort-035-683-202	0.68	CC1(C)CCC2=C3O[C@@H](CC(=O)C3=C(O)C=C2O1)C1=CC=CC=C1
MolPort-003-938-846	0.68	OC1=CC2=C(C(=O)C[C@H](O2)C2=CC=C(O)C(O)=C2)C(O)=C1
MolPort-001-740-726	0.68	OC1=CC2=C(C(=O)CC(O2)C2=CC(O)=C(O)C=C2)C(O)=C1
MolPort-002-903-722	0.68	O[C@H]1[C@@H](OC2=C(C=CC=C2)C1=O)C1=CC=C(Cl)C=C1
MolPort-019-937-466	0.68	OC[C@@H]1O[C@@H](OC2=CC(O)=C3C[C@H](O)[C@H](OC3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O
MolPort-001-513-154	0.68	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=CC=C2
MolPort-035-683-148	0.68	OC1=CC(=CC(O)=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-002-722-046	0.68	C=CCOC1=CC(OCC=C)=C(C=C1)C12CCCCC1C1(CCCCC1)C1=C(O2)C=C(OCC=C)C=C1
MolPort-039-052-460	0.67	CC(=O)O[C@@H]1[C@H](OC2=CC(OC(C)=O)=CC(O)=C2C1=O)C1=CC=CC=C1
MolPort-039-006-191	0.67	CC1(C)CC(O)C2=C(OCC3=CC=CC=C3F)C=CC=C2O1
MolPort-039-052-464	0.67	CC(=O)OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(OC(C)=O)C=C2O1
MolPort-046-761-034	0.67	COC1=CC=C(C[C@]2(O)COC3=CC(OC)=CC(O)=C3C2=O)C=C1
MolPort-039-337-122	0.67	CC(C)=CCC1=C(O)C2=C(O[C@@H]([C@@H](O)C2=O)C2=C(O)C=C(O)C=C2)C(CC=C(C)C)=C1O
MolPort-039-052-453	0.67	O[C@@H]1CO[C@@H](OC2=CC(O)=C3C[C@H](O)[C@H](OC3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O
MolPort-001-740-473	0.67	OC1COC(OC2=CC3=C(C[C@H](O)[C@H](O3)C3=CC(O)=C(O)C=C3)C(O)=C2)C(O)C1O
MCULE-7069743442	0.67	C1(C=CC=CC=1C(O)CCC)OCC1C=CC=CC=1
MCULE-3808236318	0.67	C([C@H](O)C(=O)O)C1=C(OCC2C=CC=CC=2)C=CC=C1
MCULE-6289580267	0.67	CC1(OC2=C(C(=CC=C2)OCC2=C(F)C=CC=C2)C(O)C1)C
MCULE-7103143686	0.67	C1(OC(=O)C)C=C2O[C@H](C3C=CC(OC(=O)C)=CC=3)CC(=O)C2=C(O)C=1
MCULE-8468757536	0.67	O(C1C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)CC2=C(O)C=1)C1C(O)C(C(CO1)O)O
MCULE-6273466258	0.67	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-9330611865	0.67	C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)CC2=C(O)C=1
MCULE-3140585141	0.67	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OCC1=CC=C(C=C1)C(OC)=O
MCULE-5717525103	0.67	C12OC(C)(C)CC(=O)C1=CC=C(OCC1C=CC=C3C=CC=CC=13)C=2C
MCULE-6906830879	0.67	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)CC(=O)C2=CC=1
MCULE-9899038190	0.67	OC1C=C2OC(C3C=CC(O)=C(O)C=3)CC(C2=CC=1)=O
MCULE-1131774635	0.67	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1
MCULE-8969680562	0.67	O1C2=CC(=CC=C2C(C2C(=C(C(CCCCCCCCCCC)=O)C(=C(C(CCCCCCCCCCC)=O)C=2O)O)O)CC1C1=CC=C(C=C1)O)O
MCULE-3965785693	0.67	C1(C2=CC=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C2)OC2=C(C=CC=C2)C(=O)C1O
MCULE-1617162545	0.67	C1(OC(=O)C)C=C2O[C@H](C3C=CC(OC(=O)C)=C(OC(=O)C)C=3)[C@@H](OC(=O)C)CC2=C(OC(=O)C)C=1
MCULE-6674323180	0.67	C12=CC(OC)=CC=C1C(=O)CC(C1=CC=C(C=C1)C(O)=O)O2
MCULE-5661544750	0.67	C1(O)C=C2O[C@]3(OC4C(=C5O[C@H](C6C=CC=CC=6)CCC5=C(OC)C=4)[C@H](C3)C2=C(OC)C=1C)C1C=CC=CC=1
MCULE-9609398692	0.67	C1(O)C=C2O[C@@]3(OC4C(=C5O[C@H](C6C=CC=CC=6)CCC5=C(OC)C=4)[C@@H](C3)C2=C(OC)C=1C)C1C=CC=CC=1
MCULE-9044534531	0.67	C12C(O)=CC(O)=CC=1OC(CC2=O)C1C=CC(OC)=C(O)C=1
MCULE-9396529091	0.67	C1(O)C=C2OC(CC(=O)C2=C(O)C=1)C1C=CC(OC)=C(O)C=1
MCULE-9553245353	0.67	C1C=C2CCC(OC2=CC=1OC(C)(C)C(=O)OC)CO
MCULE-4928479927	0.67	C1(OC)C=C2O[C@H](C3C=C(O)C(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-7064559962	0.67	C1(O)C=C2OC(O)(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-1293719098	0.67	C12(C3=CC=CC=C3)CC1C(C1=CC=CC=C1O2)C1C=CC=CC=1
MCULE-8796611824	0.67	O1C2C=CC(CCC(C)(C)O)=CC=2CCC1(C)C
MCULE-1523399872	0.67	C1(O)C(CC(C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-2028448851	0.67	C1(O)C=C2O[C@@H](CC(=O)C2=C(O)C=1)C1C=CC(OC)=C(O)C=1
MCULE-2236290715	0.67	C12=C(O)C=C(O)C=C1O[C@H](CC2=O)C1=CC=C(OC)C(O)=C1
MCULE-1634327239	0.67	C1(OC(=O)C)C=C2O[C@H](C3C=CC(OC(=O)C)=C(OC(=O)C)C=3)[C@H](OC(=O)C)CC2=C(OC(=O)C)C=1
MCULE-7131810532	0.67	C12C(O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC(=C(O)C=1)OC)O
MCULE-2703837005	0.67	C1(OC)C=C2OC(CC(C2=C(O)C=1)=O)C1C=CC(O)=C(O)C=1
MolPort-039-338-317	0.67	OC1=CC=C2C(=O)C[C@H](OC2=C1)C1=CC(O)=C(O)C=C1
MolPort-023-276-467	0.67	CCCCCCCCCCCC(=O)C1=C(O)C(C(=O)CCCCCCCCCCC)=C(O)C(C2CC(OC3=C2C=CC(O)=C3)C2=CC=C(O)C=C2)=C1O
MolPort-001-740-173	0.67	OC1=CC=C2C(=O)CC(OC2=C1)C1=CC(O)=C(O)C=C1
MolPort-035-705-965	0.67	OC1=CC=C2C(=O)C[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1
MolPort-000-693-537	0.67	COC(=O)C1=CC=C(COC2=CC3=C(C(=O)CC(C)(C)O3)C(O)=C2)C=C1
MolPort-044-754-123	0.67	COC1=C2CC[C@H](OC2=C2[C@@H]3C[C@@](OC4=CC(O)=C(C)C(OC)=C34)(OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1
MolPort-044-754-122	0.67	COC1=C2CC[C@H](OC2=C2[C@H]3C[C@](OC4=CC(O)=C(C)C(OC)=C34)(OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1
MolPort-008-602-942	0.67	COC1=CC2=C(C=C1)C(=O)CC(O2)C1=CC=C(C=C1)C(O)=O
MolPort-001-741-418	0.67	COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-003-665-787	0.67	CC(=O)O[C@H]1CC2=C(O[C@@H]1C1=CC=C(OC(C)=O)C(OC(C)=O)=C1)C=C(OC(C)=O)C=C2OC(C)=O
MolPort-000-769-419	0.67	COC1=CC2=C(C(=O)CC(O2)C2=CC(O)=C(O)C=C2)C(O)=C1
MolPort-003-665-788	0.67	CC(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(OC(C)=O)C(OC(C)=O)=C1)C=C(OC(C)=O)C=C2OC(C)=O
MolPort-035-683-180	0.67	OC1=CC=C(C=C1)C1(O)CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-002-893-747	0.67	COC1=C(O)C=C(C=C1)[C@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-028-599-906	0.67	COC1=CC2=C(C(=O)C[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1
MolPort-003-665-801	0.67	COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-039-338-717	0.67	CC(C)=CCC(CC1=C2O[C@@H]([C@@H](O)C(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1O)C(C)=C
MolPort-046-689-929	0.67	[2H]C([2H])([2H])OC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-002-705-929	0.67	C1C2C(C3=CC=CC=C3)C3=C(OC12C1=CC=CC=C1)C=CC=C3
MolPort-001-742-743	0.66	OC1=C(O)C(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=CC=C1
MolPort-035-706-525	0.66	COC1=CC2=C(C(=O)C[C@H](O2)C2=CC(O)=CC(O)=C2)C(O)=C1
MolPort-035-683-126	0.66	CC(=O)OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=CC=C1
MolPort-046-687-425	0.66	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC(O)=C(O)C=C2O1
MolPort-001-741-458	0.66	OC1=CC=C(C=C1)[C@H]1CC(=O)C2=C(O)C=C(O)C([C@H]3[C@@H](OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)=C2O1
MolPort-001-740-746	0.66	COC1=CC2=C(C(O)=C1)C(=O)[C@H](OC(C)=O)[C@H](O2)C1=CC(O)=C(O)C=C1
MolPort-046-158-480	0.66	OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C([C@@H]3[C@H](OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)=C2O1
MolPort-044-754-077	0.66	COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(OC)C(O)=C1
MolPort-042-675-534	0.66	OC1=CC=CC=C1CC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1
MCULE-5423915532	0.66	C1(OC(=O)C)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-6923632463	0.66	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1O
MCULE-7830277688	0.66	C1(OC)C=C2O[C@H](C3C=C(O)C=C(O)C=3)CC(=O)C2=C(O)C=1
MCULE-4502863447	0.66	O([C@@H]1[C@@H](C2C=CC(O)=C(O)C=2)OC2C(C1=O)=C(O)C=C(OC)C=2)C(C)=O
MCULE-7028658249	0.66	C1(C=C2O[C@@H](C3C=CC(=CC=3)O)[C@H](C3C(O)=CC(O)=C4C(=O)C[C@H](C5C=CC(O)=CC=5)OC=34)C(C2=C(O)C=1)=O)O
MCULE-4827438323	0.66	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1CC1C(O)=CC=CC=1
MCULE-5463631459	0.66	C1(OC)C=C2O[C@H](C3C=CC(OC)=C(O)C=3)CC(=O)C2=C(O)C=1
MCULE-1896760231	0.66	C12=CC(OCC(OCC)=O)=CC(O)=C1CCC(C)(C)O2
MCULE-8379416608	0.66	C([C@@H](O)C(=O)OCC)C1=C(OCC2C=CC=CC=2)C=CC=C1
MCULE-9344776795	0.66	C1OC2=C(C=CC(O)=C2)CC1
MCULE-5206774367	0.66	C12(CCCC1C1(CCCC1)C1=C(C(C)=C(C=C1)OC(C)=O)O2)C1=CC=C(C(C)=C1O)OC(C)=O
MCULE-5901955895	0.66	O(C1C(C2C=CC(O)=C(O)C=2)OC2C(=C(C=C(O)C=2)O)C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MCULE-1090625056	0.66	O[C@@H]1[C@@H](C2=CC=C(O)C=C2)OC2C(=C(C(C/C=C(\C)/CC/C=C(\C)/C)=C(O)C=2)O)C1=O
MCULE-3974580137	0.66	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)CC2=C(O)C=1
MCULE-3899679930	0.66	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MCULE-9072285894	0.66	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C+]1CC2C(=CC(=CC=2OC1C1C=C(O)C(O)=CC=1)O)O
MCULE-8465550177	0.66	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@H](O)C(=O)C2=C(OC)C=1
MCULE-1908701559	0.66	C12CC(O)COC=1C=CC1=CC(Br)=CC=C21
MCULE-4978937213	0.66	C12OCCC(O)C1=CC=C(OC)C=2
MolPort-046-626-488	0.66	CCOC(=O)COC1=CC2=C(CCC(C)(C)O2)C(O)=C1
MolPort-006-417-982	0.66	OC1=CC=C2CCCOC2=C1
MolPort-002-723-963	0.66	CC(=O)OC1=CC=C2C(OC3(CCCC3C22CCCC2)C2=C(O)C(C)=C(OC(C)=O)C=C2)=C1C
MolPort-005-945-269	0.66	OC[C@H]1O[C@@H](OC2CC3=C(OC2C2=CC(O)=C(O)C=C2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O
MolPort-039-339-015	0.66	COC1=C2C(=O)[C@H](O)[C@H](OC2=C(C[C@@H](CC=C(C)C)C(C)=C)C(O)=C1)C1=CC=C(O)C=C1O
MolPort-005-945-312	0.66	CC(C)=CCC\C(C)=C\CC1=C(O)C=C2O[C@@H]([C@@H](O)C(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-339-014	0.66	COC1=C2C(=O)[C@@H](O)[C@H](OC2=C(C[C@@H](CC=C(C)C)C(C)=C)C(O)=C1)C1=CC=C(O)C=C1O
MolPort-046-426-921	0.66	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1
MolPort-046-690-832	0.66	OC1=CC(O)=C2[C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](C2)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1
MolPort-039-052-538	0.66	C[C@@H]1O[C@@H](O[C@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
MolPort-002-915-537	0.65	CC(=O)O[C@H]1[C@@H](OC2=CC=CC=C2C1=O)C1=CC=CC=C1
MolPort-042-675-533	0.65	OC1=CC=CC=C1CC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=CC=C1
MolPort-002-722-048	0.65	COC1=CC(OCC(=O)C2=CC=CC=C2)=C(C=C1)C12CCCCC1C1(CCCCC1)C1=C(O2)C=C(OC)C=C1
MolPort-001-740-728	0.65	COC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-046-153-732	0.65	COC1=CC(=CC=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-035-706-114	0.65	CC(C)C[C@H]1[C@@H](C(C)C)[C@@H](OC2=C(C=O)C(O)=C(C=O)C(O)=C12)C1=C(O)C(C=O)=C(O)C(C=O)=C1O
MolPort-000-696-915	0.65	O=C1CC(OC2=C1C=CC=C2)C1=CC=CC=C1
MolPort-046-153-729	0.65	OC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=CC(O)=C(O)C=C2O1
MolPort-002-723-967	0.65	OC1=CC(O)=C(C=C1Cl)C12CCCC1C1(CCCC1)C1=CC(Cl)=C(O)C=C1O2
MolPort-005-945-868	0.65	CC(C)=CCOC1=CC=C(C=C1)C1CC(=O)C2=CC=C(O)C=C2O1
MolPort-000-693-538	0.65	CC1(C)CC(=O)C2=C(O1)C=C(OCC1=CC=C(Br)C=C1)C=C2O
MolPort-003-699-970	0.65	CC1=CC(OCC2=CC=C(Cl)C=C2)=CC2=C1C(O)CC(C)(C)O2
MolPort-001-821-106	0.65	CC1=CC(C)=C(COC2=C(C)C3=C(C=C2)C(=O)CC(C)(C)O3)C(C)=C1
MCULE-4388378051	0.65	O[C@@H]1C2=C(C=CC=C2)OC2(COC2)C1
MCULE-6220361883	0.65	O[C@H]1C2=C(C=CC=C2)OC2(COC2)C1
MCULE-8635359097	0.65	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1O
MCULE-2429691770	0.65	C12(CCCC1C1(CCCC1)C1=C(C=C(C(Cl)=C1)O)O2)C1=CC(Cl)=C(C=C1O)O
MCULE-4795207900	0.65	CC(C1=CC2=C(OCCC2)C=C1)(O)C
MCULE-7894325305	0.65	C12C(O)CC(C)(C)OC1=CC(=CC=2C)OCC1=CC=C(Cl)C=C1
MCULE-7736830441	0.65	C12OC(CC(=O)C=1C=CC(OCC1=C(C)C=C(C)C=C1C)=C2C)(C)C
MCULE-3558918209	0.65	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OCC1=CC=C(C=C1)Br
MCULE-2099491698	0.65	[Cl-].O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C+]1CC2C(=CC(=CC=2OC1C1C=C(O)C(O)=CC=1)O)O
MCULE-2411311829	0.65	C1(O)C=C2OC[C@@]3([H])C4C=CC5OC(C(C)=C)CC=5C=4O[C@@]3([H])C2=CC=1
MCULE-6068622431	0.65	C12=CC(=CC=C1CC(CO2)N)OCC1C=CC=CC=1
MCULE-7607710461	0.65	C1(C=CC(=CC=1O)OCC1C=CC=CC=1)C(=O)C(CC)CO
MCULE-7927912257	0.65	C1(C=C2OC(C3C=CC(=CC=3)O)C(C3C(C4C=CC(O)=CC=4)OC4C(C3=O)=C(O)C=C(O)C=4)C(C2=C(O)C=1)=O)O
MCULE-4193299594	0.65	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-3047713071	0.65	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-3436478692	0.65	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@@]([H])([C@@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-5215717105	0.65	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-7842380240	0.65	C(C1C(O)=C(CC2C(O)=CC=CC=2)C(O)=C2C=1O[C@H](C1C=CC=CC=1)CC2=O)C1=C(O)C=CC=C1
MCULE-9352490355	0.65	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-9748713051	0.65	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-8081389858	0.65	C1(OC(=O)C)C=C2O[C@H](C3C=CC(OC(=O)C)=CC=3)CC(=O)C2=C(OC(=O)C)C=1
MCULE-1097395119	0.65	C1C=C2C(OC(CC2=O)C2C=CC(C3C=CC=CC=3)=CC=2)=CC=1O
MCULE-5300738990	0.65	O1C(C)(C)CC(O)C2C=CC=CC1=2
MCULE-2351034646	0.65	Cl.N[C@H]1C2=C(C=CC=C2)O[C@H](C2=CC=CC=C2)C1
MCULE-2887574103	0.65	C[C@H]1OC2=C(C=CC=C2)CC1
MCULE-2205055342	0.65	CC1(OC2=C(C=CC=C2)CC1)C
MCULE-4152291525	0.65	C12C(O)=CC(=CC=1O[C@@]([C@]([H])(O)C2=O)([H])C1C=CC2=C(C=1)O[C@]([C@@]([H])(CO)O2)([H])C1C=CC(=C(OC)C=1)O)O
MCULE-6637888420	0.65	O1C2C=C(C=CC=2O[C@@H](CO)[C@@H]1C1=CC=C(C(=C1)OC)O)[C@H]1[C@H](C(C2=C(C=C(C=C2O1)O)O)=O)O
MCULE-9092075985	0.65	C1(O)C=C2O[C@H](C3C=CC4O[C@H](C5C=CC(OC)=C(O)C=5)[C@@H](CO)OC=4C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-8379030042	0.65	C12=C(O)C=C(C=C1O[C@]([C@@]([H])(O)C2=O)([H])C1C=CC2=C(C=1)O[C@]([C@@]([H])(CO)O2)([H])C1=CC=C(C(OC)=C1)O)O
MCULE-8933677756	0.65	C1(O)C(C[C@@H](CCC(O)(C)C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@H](O)C(=O)C2=C(OC)C=1
MCULE-6390383057	0.65	COC1C=C(C2C(CO)OC3C=C(C4C(O)C(=O)C5C(=CC(=CC=5O)O)O4)C=CC=3O2)C=CC=1O
MCULE-6463439345	0.65	C12=C(O)C=C(C=C1O[C@]([C@@]([H])(O)C2=O)([H])C1C=CC2=C(C=1)O[C@]([C@@]([H])(CO)O2)([H])C1=CC=C(C(OC)=C1)O)O
MCULE-9566565950	0.65	O=C1C2C(=CC(=CC=2O[C@H](C2C=C3C(O[C@H]([C@H](O3)C3C=C(OC)C(O)=CC=3)CO)=CC=2)[C@H]1O)O)O
MCULE-7201821938	0.65	C12C(O)=CC(=CC=1OC(C(O)C2=O)C1C=CC2=C(C=1)OC(C(CO)O2)C1=CC=C(C(OC)=C1)O)O
MCULE-1331224883	0.65	C12=CC(OC(=O)C)=CC=C1C1(CCCC1)C1CCCC1(C1C=CC(OC(=O)C)=CC=1OC(=O)C)O2
MCULE-8143844406	0.65	C12=CC(OC(=O)C)=CC=C1C1(CCCCC1)C1CCCCC1(C1C=CC(OC(=O)C)=CC=1OC(=O)C)O2
MCULE-9575020223	0.65	C1(O)C(O)=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1
MCULE-9216041573	0.65	CC(CC1C(O)C2=C(C=CC=C2)O1)C
MCULE-6824884051	0.65	COC1=CC(OCC(C2=CC=CC=C2)=O)=C(C23OC4=CC(OC)=CC=C4C4(CCCCC4)C2CCCC3)C=C1
MCULE-8148398497	0.65	[C@H]1(OC2C(=CC=CC=2)C(=O)[C@H]1OC(=O)C)C1C=CC=CC=1
MCULE-9587381415	0.65	C1(O)C=C2O[C@H](C3C=C(OC)C(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-3324355674	0.65	C1(C=C2OC(CC(C2=C(O)C=1)=O)C1=CC=C(O)C(OC)=C1)O
MCULE-4541279484	0.65	C1(C(=C2C([C@@H](CC(C)C)[C@@H](C(C)C)[C@H](C3C(O)=C(C=O)C(O)=C(C=O)C=3O)O2)=C(C=1C=O)O)C=O)O
MCULE-6668187578	0.65	C(C1C(O)=CC(O)=C2C=1O[C@H](C1C=CC=CC=1)CC2=O)C1=C(O)C=CC=C1
MCULE-8876698541	0.65	C1C=C2C(=CC=1)C(=O)C[C@@H](C1C=CC=CC=1)O2
MCULE-3925941144	0.65	O1C(C2C=CC=CC=2)CC(C2C=CC=CC=21)=O
MCULE-9501169497	0.65	N[C@H]1C2=C(C=CC=C2)O[C@H](C2=CC=CC=C2)C1
MCULE-8271689418	0.65	C12=CC(OC)=CC=C1C(CC1(CCCCC1)O2)O
MolPort-035-706-549	0.65	CC(=C)C1CC2=C3O[C@@H]4[C@@H](COC5=C4C=CC(O)=C5)C3=CC=C2O1
MolPort-002-818-069	0.65	CCC(CO)C(=O)C1=C(O)C=C(OCC2=CC=CC=C2)C=C1
MolPort-039-338-897	0.65	OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-039-338-898	0.65	OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1[C@@H]1[C@@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-039-052-466	0.65	CC(=O)OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(OC(C)=O)C=C(OC(C)=O)C=C2O1
MolPort-039-052-506	0.65	COC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-338-899	0.65	OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1[C@H]1[C@@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-039-338-900	0.65	OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1[C@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-005-945-286	0.65	COC1=C(O)C=C2O[C@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-338-901	0.65	OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1[C@H]1[C@@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-001-742-227	0.65	OC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1C1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1
MolPort-042-675-535	0.65	OC1=CC=CC=C1CC1=C(O)C(CC2=CC=CC=C2O)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1
MolPort-003-728-196	0.65	CC1(C)CC(O)C2=C(O1)C=CC=C2
MolPort-038-947-978	0.65	C[C@H]1C[C@@H](O)C2=C(O1)C=CC=C2
MolPort-006-417-990	0.65	C[C@@H]1C[C@H](O)C2=CC=CC=C2O1
MolPort-023-310-213	0.65	OC1=CC2=C(C=C1)C(=O)CC(O2)C1=CC=C(C=C1)C1=CC=CC=C1
MolPort-001-764-280	0.65	CC1(C)CCC2=CC=CC=C2O1
MolPort-044-600-832	0.65	Cl.N[C@@H]1C[C@H](OC2=CC=CC=C12)C1=CC=CC=C1
MolPort-002-723-985	0.65	CC(=O)OC1=CC(OC(C)=O)=C(C=C1)C12CCCC1C1(CCCC1)C1=C(O2)C=C(OC(C)=O)C=C1
MolPort-002-723-984	0.65	CC(=O)OC1=CC(OC(C)=O)=C(C=C1)C12CCCCC1C1(CCCCC1)C1=C(O2)C=C(OC(C)=O)C=C1
MolPort-046-158-530	0.65	COC1=C(O)C=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-001-741-606	0.65	COC1=CC(=CC=C1O)[C@H]1OC2=C(O[C@@H]1CO)C=CC(=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-042-665-880	0.65	COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=CC(=C2)[C@H]1OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O
MolPort-016-633-341	0.65	COC1=CC(=CC=C1O)C1OC2=C(OC1CO)C=C(C=C2)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1O
MolPort-009-018-976	0.65	COC1=CC(=CC=C1O)[C@H]1OC2=CC(=CC=C2OC1CO)C1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-002-534-542	0.65	COC1=C(O)C=CC(=C1)[C@H]1OC2=CC(=CC=C2O[C@@H]1CO)[C@@H]1OC2=C(C(O)=CC(O)=C2)C(=O)[C@H]1O
MolPort-001-913-435	0.65	COC1=C(O)C=CC(=C1)C1OC2=CC(=CC=C2OC1CO)C1OC2=C(C(O)=CC(O)=C2)C(=O)C1O
MolPort-044-724-658	0.65	COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=C(C=C2)C1OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O
MolPort-020-006-004	0.65	COC1=CC(=CC=C1O)C1OC2=C(OC1CO)C=C(C=C2)[C@H]1OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O
MolPort-046-790-429	0.65	COC1=C(O)C=CC(=C1)[C@H]1OC2=C(O[C@@H]1CO)C=C(C=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-039-338-649	0.65	COC1=C2C(=O)[C@@H](O)[C@H](OC2=C(C[C@@H](CCC(C)(C)O)C(C)=C)C(O)=C1)C1=CC=C(O)C=C1O
MolPort-046-790-428	0.65	COC1=C(O)C=CC(=C1)[C@@H]1OC2=C(O[C@H]1CO)C=C(C=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-044-754-063	0.65	OC1=CC=C2C(=O)C[C@H](OC2=C1O)C1=CC(O)=C(O)C=C1
MolPort-039-139-345	0.65	COC1=C(O)C=CC(=C1)[C@@H]1OC2=CC(=CC=C2O[C@H]1CO)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
MolPort-046-765-874	0.64	OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1
MolPort-005-945-830	0.64	COC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1C1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1
MolPort-020-480-506	0.64	OCC1CCOC2=CC=CC=C12
MolPort-046-158-447	0.64	COC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1[C@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(OC)C=C1
MolPort-044-754-124	0.64	COC1=C2CC[C@H](OC2=C(C(CC2=C(OC(=O)C3=CC=CC=C3)C=C(O)C(C)=C2OC)C2=C3O[C@@H](CCC3=C(OC)C=C2O)C2=CC=CC=C2)C(O)=C1)C1=CC=CC=C1
MolPort-021-804-544	0.64	COC1=CC=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1C1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(OC)C=C1
MolPort-039-338-971	0.64	COC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1[C@@H]1[C@@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(OC)C=C1
MolPort-039-338-896	0.64	COC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@H]1[C@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-046-158-531	0.64	COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC(OC)=C(O)C=C1
MolPort-039-052-357	0.64	OC1=CC2=C(C=C1)[C@H]1C3=CC(O)=C(O)C=C3C[C@@]1(O)CO2
MolPort-003-665-706	0.64	OC1=CC2=C(C=C1)C1C3=C(CC1(O)CO2)C=C(O)C(O)=C3
MolPort-002-511-009	0.64	CC(C)=CCC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1
MolPort-002-800-144	0.64	CC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=CC=C2
MolPort-001-742-622	0.64	COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2O1
MolPort-001-742-504	0.64	CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-001-740-177	0.64	CC(C)=CCC1=CC(=CC(CC=C(C)C)=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-046-667-643	0.64	CC(C)C1=CC=C2OCCC3(CO3)C2=C1
MolPort-006-668-332	0.64	CC(C)=CCC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
MCULE-2776613173	0.64	C12C=CC(C)=CC=1C(=O)CC(C1C=CC=CC=1)O2
MCULE-9221277712	0.64	C1OC2=CC(OC)=CC=C2CC1
MCULE-7056793204	0.64	O[C@H]1C2=C(C=C3C(=C2)CCO3)OCC1
MCULE-3465277458	0.64	O[C@@H]1C2=C(C=C3C(=C2)CCO3)OCC1
MCULE-5544531525	0.64	C1(O)C(C(CC2C(OC)=C(C)C(O)=CC=2OC(C2C=CC=CC=2)=O)C2=C3O[C@H](C4C=CC=CC=4)CCC3=C(OC)C=C2O)=C2O[C@H](C3C=CC=CC=3)CCC2=C(OC)C=1
MCULE-3613127722	0.64	O(C)C1=CC=C(C2OC3C(C(=O)C2C2C(OC4C(C2=O)=C(O)C=C(O)C=4)C2C=CC(O)=CC=2)=C(O)C=C(C=3)O)C=C1
MCULE-5633239302	0.64	OC1C2=C(C=C3C(=C2)CCO3)OCC1
MCULE-1018595313	0.64	O(C)C1C=CC(C2OC3C(C(=O)C2C2C(OC4C(C2=O)=C(O)C=C(O)C=4)C2C=CC(OC)=CC=2)=C(O)C=C(O)C=3)=CC=1
MCULE-8939875451	0.64	C1(O)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-4071615581	0.64	C1(O)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@]([H])([C@@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(OC)=CC=3)C(=O)C2=C(O)C=1
MCULE-4867351823	0.64	C12=CC=C(C=C1OCCC2=O)OCC1C=CC=CC=1
MCULE-7208447718	0.64	C1(O)C=C2C3C4C=CC(O)=CC=4OCC3(O)CC2=CC=1O
MCULE-6713364637	0.64	C1(O)C=C2[C@]3([H])C4C=CC(O)=CC=4OC[C@]3(O)CC2=CC=1O
MCULE-7506688119	0.64	C12C(=O)CC(OC1=CC(=C(C/C=C(/C)\C)C=2O)O)C1=CC=C(C=C1)OC
MCULE-9485581712	0.64	C1(O)C=C2C(C(CC(C3C=CC(O)=C(C/C=C(\C)/C)C=3)O2)=O)=C(O)C=1
MCULE-1883133712	0.64	C12C(=O)CC(OC1=CC(=C(C/C=C(/C)\C)C=2O)O)C1C=CC=CC=1
MCULE-8750784705	0.64	C12C(=O)C[C@H](OC=1C=C(C(C/C=C(/C)\C)=C2O)O)C1C=CC=CC=1
MCULE-1448234011	0.64	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-1517499241	0.64	O1[C@H](C2C=CC(=CC=2)C)CC(C2C=CC=CC=21)=O
MCULE-4756469832	0.64	C12C(OC(C)=O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC=CC=1)OC(C)=O
MCULE-7108552346	0.64	C12(CCCC1C1(C3=CC(=C(O)C(C)=C3O2)Br)CCCC1)C1=CC(Br)=C(C(C)=C1O)O
MCULE-3601358321	0.64	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-2611502602	0.64	C1(OC(=O)C)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC(=O)C)C=1
MCULE-9660679251	0.64	C1(O)C=C2OC(CC(C2=C(O)C=1OC)=O)C1C=CC=CC=1
MCULE-1352783509	0.64	C12C=CC=CC=1C1OC(C)(C)CCC=1C=C2
MCULE-4810068413	0.64	C1(O)C(C/C=C(\C)/C)=C2OC(C3C=CC4OC(C)(C)C(O)C(O)C=4C=3)CC(=O)C2=CC=1
MCULE-9480304541	0.64	C1(O)C=C2OC[C@@H](C3C(O)=CC(O)=CC=3)CC2=CC=1
MCULE-7513860584	0.64	C1(OC)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-9617502889	0.64	C1(OC)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(OC)=CC=3)C(=O)C2=C(O)C=1
MCULE-7988809823	0.64	C1(OC)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-4778304263	0.64	C12=C(O)C(O)=CC([C@@H]3[C@H](OC(=O)C4C=C(O)C(=C(O)C=4)O)CC4C(=CC(O)=CC=4O3)O)=C1C=C(C=C(O)C2=O)[C@@H]1[C@H](OC(=O)C2C=C(O)C(O)=C(O)C=2)CC2C(=CC(O)=CC=2O1)O
MCULE-9385881266	0.64	C1(O)C=C2O[C@H](C3C=C(O)C4O[C@@H](C5C=C(OC)C(O)=CC=5)[C@H](CO)C=4C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-6029890850	0.64	O[C@H]1[C@@H](C2C3C=C([C@@H]4[C@H](OC(C5=CC(O)=C(O)C(O)=C5)=O)CC5C(=CC(=CC=5O)O)O4)C=C(C(=O)C=3C(O)=C(O)C=2)O)OC2=CC(=CC(O)=C2C1)O
MCULE-6158427025	0.64	OC1C2=CC=CC(OCC3=CC=CC=C3)=C2CC1
MolPort-000-734-672	0.64	CC(=O)OC1=CC2=C(C(=O)C[C@H](O2)C2=CC=CC=C2)C(OC(C)=O)=C1
MolPort-039-338-620	0.64	COC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1
MolPort-001-740-631	0.64	COC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=CC=C1
MolPort-023-279-006	0.64	CC1(C)CCC2=C(O1)C1=CC=CC=C1C=C2
MolPort-042-675-385	0.64	CC(C)=CCC1=C2OC(CC(=O)C2=CC=C1O)C1=CC2=C(OC(C)(C)C(O)C2O)C=C1
MolPort-044-723-197	0.64	OC1=CC=C([C@@H]2COC3=CC(O)=CC=C3C2)C(O)=C1
MolPort-039-338-970	0.64	COC1=CC=C(C=C1)[C@H]1OC2=CC(OC)=CC(O)=C2C(=O)[C@H]1[C@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-039-338-973	0.64	COC1=CC=C(C=C1)[C@H]1OC2=CC(OC)=CC(O)=C2C(=O)[C@@H]1[C@H]1[C@@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(OC)C=C1
MolPort-046-158-525	0.64	COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC(OC)=C(OC)C=C1
MolPort-046-761-030	0.64	COC1=CC=C(C=C1)[C@H]1OC2=CC(OC)=CC(O)=C2C(=O)[C@H]1[C@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(OC)C=C1
MolPort-039-338-895	0.64	COC1=CC(O)=C2C(=O)[C@H]([C@H](OC2=C1)C1=CC=C(O)C=C1)[C@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
MolPort-046-790-479	0.64	COC1=CC(=CC=C1O)[C@H]1OC2=C(C=C(C=C2O)[C@H]2OC3=CC(O)=CC(O)=C3C(=O)[C@@H]2O)[C@@H]1CO
MolPort-046-793-183	0.64	COC1=C(O)C=CC(=C1)C1OC2=C(C=C(C=C2O)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C1CO
MolPort-039-338-142	0.64	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=C2C=C(C=C(O)C(=O)C2=C(O)C(O)=C1)C1OC2=C(C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C2
MolPort-039-052-245	0.64	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC3=C(C=C(O)C(O)=C3C(=O)C(O)=C2)[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
MolPort-039-052-366	0.64	O[C@@H]1CC2=C(OC1C1=CC3=C(C=C(O)C(O)=C3C(=O)C(O)=C1)[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O
MolPort-006-069-276	0.64	COC1=C(O)C=CC(=C1)[C@@H]1OC2=C(C=C(C=C2O)[C@H]2OC3=C(C(O)=CC(O)=C3)C(=O)[C@@H]2O)[C@H]1CO
MolPort-037-961-417	0.64	CC(CO)C1=CC2=C(OCCC2)C=C1
MolPort-014-641-215	0.64	OC1CCC2=C1C=CC=C2OCC1=CC=CC=C1
MolPort-046-660-852	0.64	C[C@H](CO)C1=CC=C2OCCCC2=C1
MolPort-046-666-724	0.64	C[C@@H](CO)C1=CC=C2OCCCC2=C1
MolPort-004-955-124	0.63	CC(C)=CCC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C=C1
MolPort-039-339-003	0.63	CC(C)=CCC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
MolPort-000-760-008	0.63	CC(C)=CCC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=CC=C1
MolPort-002-510-365	0.63	CC(C)=CCC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C1=CC=CC=C1
MolPort-002-507-341	0.63	CC1(C)CCC2=C(O1)C=CC(CC(O)=O)=C2
MolPort-044-567-348	0.63	OC(=O)CC1=C(OCC2=CC=CC=C2)C=C(OCC2=CC=CC=C2)C=C1
MolPort-035-689-123	0.63	COC1=C2C(O)CCOC2=CC=C1
MolPort-005-945-627	0.63	COC1=C(CC=C(C)C)C2=C(C=C1)[C@]1(O)COC3=CC(O)=CC=C3[C@@H]1O2
MolPort-003-847-079	0.63	[2H]C1OC2=C(C=CC(O)=C2)C([2H])([2H])C1([2H])C1=CC=C(O)C=C1
MolPort-003-847-078	0.63	OC1=CC=C(C=C1)[C@H]1COC2=CC(O)=CC=C2C1
MolPort-003-847-077	0.63	OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
MolPort-002-507-289	0.63	OC1=CC=C(C=C1)[C@@H]1COC2=C(C1)C=CC(O)=C2
MolPort-002-903-723	0.63	CCCC(=O)O[C@H]1[C@@H](OC2=CC=CC=C2C1=O)C1=CC=CC=C1
MolPort-044-724-642	0.63	COC(=O)[C@H]1[C@@H](O)[C@@]2(O)C3=C(OC)C=C(OC)C=C3O[C@]2([C@@H]1C1=CC=CC=C1)C1=CC=C(OC)C=C1
MolPort-039-139-797	0.63	COC(=O)[C@H]1[C@@H](O)[C@@]2(O)C3=C(OC)C=C(O)C=C3O[C@]2([C@@H]1C1=CC=CC=C1)C1=CC=C(OC)C=C1
MolPort-035-705-963	0.63	CC(C)=CCC1=C(O)C=C2O[C@@H](CC(=O)C2=C1)C1=CC=C(O)C=C1
MolPort-003-849-812	0.63	COC1=CC(OC)=C2C(=O)CC(OC2=C1)C1=CC(OC)=C(OC)C(OC)=C1
MolPort-000-165-380	0.63	CC(C)=CCC1=C(O)C=CC(=C1)C1CC(=O)C2=CC=C(O)C=C2O1
MolPort-002-893-168	0.63	CCCC1=C(OCC2=CC=CC=C2)C=CC(C(C)=O)=C1O
MolPort-001-740-584	0.63	COC1=CC=C(C2COC3=CC(O)=CC=C3C2)C(O)=C1
MolPort-039-338-174	0.63	COC1=CC=C([C@@H]2COC3=CC(O)=CC=C3C2)C(O)=C1
MCULE-3002934523	0.63	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-1693566586	0.63	C12C(C/C=C(/C)\C)=C(O)C=C(O)C=1C(C[C@@H](C1=CC=CC=C1)O2)=O
MCULE-9919244870	0.63	C1(C2OC3C(C/C=C(\C)/C)=C(O)C=C(O)C=3C(C2)=O)=CC=C(O)C=C1
MCULE-9858151978	0.63	C12C(C/C=C(/C)\C)=C(O)C=C(O)C=1C(CC(C1=CC=CC=C1)O2)=O
MCULE-3864605326	0.63	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-3440224203	0.63	C(C1C=CC=CC=1)(=O)OC1=CC2=C(CC(C3C=CC(=CC=3)OC(C3C=CC=CC=3)=O)(CO2)[H])C=C1
MCULE-7642050332	0.63	C(O)(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1OCC1=CC=CC=C1
MCULE-8985736835	0.63	C1=C(CC(=O)O)C=CC2OC(C)(C)CCC=21
MCULE-4235282087	0.63	C1OC2=C(C=CC(O)=C2)C[C@@H]1C1=CC=C(O)C=C1
MCULE-9122391187	0.63	C12C(O)CCOC=1C=CC=C2OC
MCULE-1358694468	0.63	C12=CC(O)=CC=C1CC(CO2)C1=CC=C(C=C1)O
MCULE-1231583021	0.63	C1(O)C=C2OC[C@H](C3C=CC(O)=CC=3)CC2=CC=1
MCULE-7798674975	0.63	C1(O)C=C2OC[C@@]3(O)C4C=CC(OC)=C(C/C=C(\C)/C)C=4O[C@@]3([H])C2=CC=1
MCULE-6555642673	0.63	C12=CC(O)=CC=C1C[C@@H](CO2)C1=CC=C(C=C1)O
MCULE-5874318771	0.63	C12=CC(O)=CC=C1C[C@H](CO2)C1=CC=C(C=C1)O
MCULE-1804962504	0.63	[C@H]1(OC2=C(C=CC=C2)C(=O)[C@H]1OC(=O)CCC)C1=CC=CC=C1
MCULE-5316080035	0.63	O1C2=CC(O)=CC(OC)=C2[C@]2(O)[C@H](O)[C@H](C(OC)=O)[C@@H](C3=CC=CC=C3)[C@]12C1=CC=C(OC)C=C1
MCULE-5323328947	0.63	O1C2=CC(OC)=CC(OC)=C2[C@]2(O)[C@H](O)[C@H](C(OC)=O)[C@@H](C3=CC=CC=C3)[C@]12C1=CC=C(OC)C=C1
MCULE-4551144105	0.63	C1(O)C=C2C(C(CC(C3C=CC(O)=C(C/C=C(/C)\C)C=3)O2)=O)=CC=1
MCULE-9244253505	0.63	C1(CCC)C(O)=C(C=CC=1OCC1C=CC=CC=1)C(=O)C
MCULE-4341505704	0.63	CC1C(O)C2=C(C=C3C(=C2)CCO3)O1
MCULE-4652067575	0.63	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1C/C=C(\C)/C
MCULE-5659982548	0.63	[C@H]1(C2=CC=C(O)C=C2)OC2=CC(O)=C(C/C=C(\C)/C)C=C2C(=O)C1
MCULE-5681470270	0.63	C1(O)=C(C=CC(OCC2C=CC=CC=2)=C1)CCC(OC)=O
MCULE-3033350630	0.63	C1(O)C=C2OC[C@@H](C3C(O)=CC(OC)=CC=3)CC2=CC=1
MCULE-2005135425	0.63	C1C=C2CC(C3C(O)=CC(OC)=CC=3)COC2=CC=1O
MCULE-6303182626	0.63	C12C(=O)CC(C)(C)OC=1C=C(C=C2)OCC1C=CC(F)=CC=1
MCULE-6772374144	0.63	C12C(=O)CC(C)(C)OC=1C=C(C=C2C)OCC1C=CC=CC=1
MCULE-2650174810	0.63	O(C)C1=C(C=C([C@H]2OC3C(C(=O)C2)=C(C=C(C=3)O)O)C=C1C/C=C(\C)/C)C/C=C(\C)/C
MCULE-6612299602	0.63	C1(O)C=C2O[C@H](C3C=CC(OC)=C(C/C=C(\C)/C)C=3)CC(=O)C2=C(O)C=1
MCULE-7018809823	0.63	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-4957490611	0.63	C12=CC(O)=CC=C1C(CO2)CCO
MCULE-4510679729	0.63	C1C(OC)=C2C(=O)C[C@@H](C)OC2=C(C=1O)CCO
MCULE-9660563348	0.63	C12C=CC(OC)=CC=1OC(CC2=O)C1C=CC(OC)=C(OC)C=1
MCULE-8978551782	0.63	COC1=CC(C2OC3C=C(OC)C=CC=3C(=O)C2)=CC(OC)=C1OC
MCULE-4833735643	0.63	C1(O)C=C2O[C@@H](C3C=CC(O)=C(O)C=3C/C=C(\C)/C)CCC2=CC=1
MCULE-2660644517	0.63	C1(C2C=CC=CC=2O)CC(=O)C2C(=CC=CC=2)O1
MCULE-4861196207	0.63	[C@H]1(C2=CC=C(C)C=C2)OC2=C(C=CC=C2)C(=O)[C@@H]1C
MCULE-6814312961	0.63	C1(C2C=CC=CC=2)(C2C=CC=CC=2)CC(=O)C2=C(C=CC=C2)O1
MCULE-3021933663	0.63	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
MCULE-6600418013	0.63	C1C2C(=CC(O)=CC=2O)OC(C2C=C3C(C4OC5C(=C(O)C=C(O)C=5)CC4OC(C4C=C(O)C(O)=C(O)C=4)=O)=CC(O)=C(O)C3=C(O)C(=O)C=2)C1OC(C1C=C(O)C(O)=C(O)C=1)=O
MCULE-6148416904	0.63	C12=C(Br)C(OCC3=CC=CC=C3)=CC(OCC3C=CC=CC=3)=C1C[C@H](OCC1C=CC=CC=1)[C@@H](C1C=CC(=C(OCC3C=CC=CC=3)C=1)OCC1C=CC=CC=1)O2
MCULE-2677968878	0.63	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-7590247408	0.63	O[C@@H]1[C@@H](O)[C@H](O)[C@H](OC1C1C(O)=C2C(=O)[C@H](O)[C@@H](C3C=CC(O)=CC=3)OC2=CC=1O)CO
MolPort-005-945-465	0.63	COC1=C(CC=C(C)C)C=C(C=C1CC=C(C)C)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
MolPort-039-337-155	0.63	COC1=C(CC=C(C)C)C=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-002-915-227	0.63	CC1(C)CC(=O)C2=C(O1)C=C(OCC1=CC=C(F)C=C1)C=C2
MolPort-039-339-001	0.63	CC(C)=CCC1=C(O)C(CC=C(C)C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-002-915-229	0.63	CC1=CC(OCC2=CC=CC=C2)=CC2=C1C(=O)CC(C)(C)O2
MolPort-038-387-877	0.63	COC1=CC=C2C(=O)CC(OC2=C1)C1=CC=C(OC)C(OC)=C1
MolPort-039-337-109	0.63	CC(C)=CCC1=C(C=CC(O)=C1O)[C@H]1CCC2=CC=C(O)C=C2O1
MolPort-001-739-248	0.63	COC1=C2C(=O)C[C@@H](C)OC2=C(CCO)C(O)=C1
MolPort-003-804-010	0.63	COC1=CC2=C(C=C1)C(=O)CC(O2)C1=CC(OC)=C(OC)C(OC)=C1
MolPort-038-386-544	0.63	COC1=CC2=C(C=C1CC=C(C)C)[C@@H]1OC3=CC(O)=CC=C3[C@]1(O)CO2
MolPort-002-800-160	0.63	O=C1CC(OC2=CC=CC=C12)(C1=CC=CC=C1)C1=CC=CC=C1
MolPort-004-955-569	0.63	OC1=C(C=CC=C1)C1CC(=O)C2=CC=CC=C2O1
MolPort-023-118-860	0.63	CCC(O)CC1=C(OC(C)C)C=CC=C1
MolPort-005-944-746	0.63	OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H]([C@@H](O)C(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-046-594-314	0.63	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C2=C(O)C(=O)C=C(C=C12)C1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1
MolPort-039-338-751	0.63	CC(C)=CC[C@H](CC1=C2O[C@@H]([C@@H](O)C(=O)C2=C(O)C(CC=C(C)C)=C1O)C1=CC=C(O)C=C1O)C(C)=C
MolPort-006-668-563	0.63	CC(C)=CCC1=C2O[C@@H](CC(=O)C2=CC=C1O)C1=CC=C(O)C=C1
MCULE-3269722953	0.63	C12(C)CC(C)C3(C(C)C1C(C1=CC=CC=C1O2)OC3)CO
MolPort-001-786-446	0.63	CC1(C)CC(C)(C2=CC=C(O)C=C2)C2=C(O1)C=CC=C2
MolPort-046-158-486	0.62	OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1C1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1
MolPort-046-508-966	0.62	COC1=C2[C@@H]3OC4=C(C=CC(O)=C4CC=C(C)C)[C@@H]3COC2=CC(O)=C1
MolPort-027-700-530	0.62	CC1(C)CC(=O)C2=CC=C(OCC3=CC=C(C=C3)C(N)=O)C=C2O1
MolPort-035-385-808	0.62	COCCC1=C(OCC2=CC=CC=C2)C=CC=C1
MolPort-039-052-655	0.62	COC1=CC=C([C@@H]2COC3=CC(OC)=CC=C3C2)C(O)=C1
MolPort-035-782-194	0.62	CCC(O)CC1=C(OC)C=C(OC)C=C1
MolPort-027-853-649	0.62	COC1=CC=C2[C@@H]3OC4=C(C=CC(O)=C4)[C@@H]3COC2=C1O
MolPort-039-338-699	0.62	COC1=C(OC)C(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=CC=C1
MolPort-042-681-533	0.62	COC1=CC=C(COC2=CC=CC(OCC3CC3)=C2C(C)=O)C=C1
MolPort-005-944-956	0.62	COC1=C(CC=C(C)C)C=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
MolPort-027-686-575	0.62	COC1=CC=C(C(OCC2=CC=CC=C2)=C1)C(C)(C)O
MolPort-028-951-700	0.62	COC1=CC(OCC2=CC=CC=C2)=C(C=C1)C(C)O
MolPort-025-494-889	0.62	CCCC(C)(O)C1=CC=C(OC)C=C1OC
MolPort-023-279-019	0.62	COC1=CC(=CC(O)=C1OC)[C@@H]1CC(=O)C2=C(O)C(OC)=C(O)C=C2O1
MolPort-023-298-969	0.62	CC(C)=CCC1=C2O[C@@H]3[C@@H](COC4=C3C=CC(O)=C4)C2=CC=C1O
MolPort-008-605-248	0.62	CCCC(O)C1=C(OC)C=C(OC)C=C1
MolPort-046-655-142	0.62	CC(C)C1=CC=CC2=C1OCCC21CO1
MCULE-8042298319	0.62	C1(C)(C2=CC=C(C=C2)O)CC(C)(C)OC2C=CC=CC1=2
MCULE-9038473760	0.62	C1(O)C=C2OC[C@@]3([H])C4C=CC(O)=C(C/C=C(\C)/C)C=4O[C@@]3([H])C2=C(OC)C=1
MCULE-8135607815	0.62	CC1(OC2=C(C=CC(=C2)OCC2=CC=C(C(N)=O)C=C2)C(=O)C1)C
MCULE-3666139069	0.62	C12=CC(OCCOC3=CC=C4C(OC(CC4=O)(C)C)=C3)=CC=C1C(CC(C)(C)O2)=O
MCULE-5176617941	0.62	C1(OC)C=C2OC[C@@H](C3C(O)=CC(OC)=CC=3)CC2=CC=1
MCULE-1441538726	0.62	C1C=C2[C@]3([H])OC4C=C(O)C=CC=4[C@]3([H])COC2=C(O)C=1OC
MCULE-2232530891	0.62	C1(OC)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-7823431861	0.62	C1C=C2C(=O)CC(OC2=CC=1)C1C=CC(C(=O)OC)=CC=1
MCULE-7542758724	0.62	C(=O)(C1=C(OCC2=CC=C(OC)C=C2)C=CC=C1OCC1CC1)C
MCULE-8885237419	0.62	C1([C@H](CO)N)C=CC(=CC=1OCC1=CC=CC=C1)OC
MCULE-8073830183	0.62	C1([C@@H](CO)N)C=CC(=CC=1OCC1=CC=CC=C1)OC
MCULE-7849040390	0.62	C1(O)C=C2OC[C@@]3([H])C4C=CC(O)=C(C/C=C(\C)/C)C=4O[C@@]3([H])C2=CC=1
MCULE-6946994874	0.62	COC1=CC(OCC2=CC=CC=C2)=C(C(O)(C)C)C=C1
MCULE-8000658254	0.62	C1(O)C=C2O[C@H](C3C=C(O)C(OC)=C(OC)C=3)CC(=O)C2=C(O)C=1OC
MCULE-1880910154	0.62	[C@H]1(C2=CC=C(O)C=C2)OC2=CC(OC)=C(C/C=C(\C)/C)C=C2C(=O)C1
MCULE-3842882003	0.62	OC1C=CC([C@H]2OC3C(C(=O)C2)=CC(C/C=C(\C)/C)=C(OC)C=3)=CC=1
MCULE-5580178185	0.62	C1(C(CCC)O)=CC=C(C=C1OC)OC
MCULE-4941906978	0.62	C1(C=CC(=CC=1OC)OC)C(C)(CCC)O
MCULE-1890542536	0.62	C1(O)C2C(CC(C3C=C(O)C(OC)=CC=3)OC=2C=C(OC)C=1OC)=O
MCULE-3088877146	0.62	O1C(C)(CC)CC(C2=CC=CC=C21)O
MCULE-9951584865	0.62	C12=CC(O)=C(C=C1CC1(O)COC3C(=C(O)C=CC=3C12)O)O
MCULE-1559740273	0.62	C12C=C(O)C(=CC=1C[C@@]1(O)COC3C(=C(O)C=CC=3[C@]12[H])O)O
MCULE-2388246535	0.62	C1(C(=C2C([C@@]3([H])[C@@](O)(CO2)CC2C=C(O)C(O)=CC3=2)=CC=1)O)O
MCULE-8309924426	0.62	OC1C=CC2[C@]3(C4C=C(C(=CC=4C[C@]3(COC=2C=1O)O)O)O)[H]
MCULE-9231834258	0.62	C12=CC(O)=C(C=C1C[C@]1(O)COC3C(=C(O)C=CC=3[C@@H]12)O)O
MCULE-4911952817	0.62	C12OC(C(O)(C)C)CC=1C(O)=C(C(=O)CCC1C=CC=CC=1)C=C2
MCULE-9646906067	0.62	C1(O)C=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-3686350370	0.62	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(C/C=C(/C)\C)C(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-1825001608	0.62	C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-9052045784	0.62	C1(OC)C(C/C=C(\C)/C)=C2C(C(=O)C[C@H](O2)C2C=CC=CC=2)=C(C=1)OC
MCULE-5729797705	0.62	C12OC(CC(=O)C=1C(OC)=CC(O)=C2C/C=C(\C)/C)C1C=CC(O)=CC=1
MCULE-1219453843	0.62	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)O
MCULE-1477744891	0.62	C12C=CC(OCC3C=CC=CC=3F)=CC=1OC(CC2=O)(C)C
MCULE-3016034856	0.62	C12=CC(=CC=C1C(CC(C)(C)O2)=O)OCC1C=CC=CC=1Cl
MCULE-9361233668	0.62	C12OC(CC(=O)C=1C=CC(OCC1=CC=CC(F)=C1)=C2)(C)C
MCULE-6129017321	0.62	O1C(CO)CC2=CC(CC)=CC=C21
MCULE-8926090259	0.62	C1(OC)C(O)=C2O[C@H](CC(C2=C(O)C=1)=O)C1C(O)=CC=CC=1
MCULE-1861924303	0.62	O1CC1C1CC2C(=CC=CC=2)O1
MCULE-5581625093	0.62	C1(O)C=C2OC(C3C=C(O)C(O)=CC=3)C(OC3(C4C=C(O)C(O)=CC=4)OC4=CC(O)=CC(O)=C4C(O)C3O)CC2=C(O)C=1
MCULE-1250791313	0.62	CC1C(C)(C)OC2C1=CC=C(O)C=2
MCULE-8677140296	0.62	O1C(CO)CC2=CC=CC=C12
MCULE-5298308262	0.62	C[C@]1(OC2C=C(O)C=CC=2CC1)C(=O)OCC
MCULE-2012691567	0.62	C12=CC(OC)=CC=C1C(CO2)CCO
MCULE-5784719364	0.62	O1[C@H](CCC2C=CC(O)=CC1=2)C(OCC)=O
MCULE-1040954793	0.62	O1C2C=CC=CC=2C(CC1C1C=CC=C(O)C=1)=O
MCULE-1335950835	0.62	C12C(O)=CC(=CC=1OC(CC2=O)(C)C)OCC(O)=O
MolPort-000-644-482	0.62	OC1=CC2=C(C=C1O)C1C3=C(OCC1(O)C2)C(O)=C(O)C=C3
MolPort-002-507-295	0.62	OC1=CC2=C(C=C1O)[C@@H]1C3=C(OC[C@]1(O)C2)C(O)=C(O)C=C3
MolPort-006-668-453	0.62	CC(C)(O)C1CC2=C(O1)C=CC(C(=O)CCC1=CC=CC=C1)=C2O
MolPort-046-417-381	0.62	C.C.C.C.C.C.C.C.C.C.C.[H]OCCOC1=C(CC)C=C(C=C1C)C(C)(C)CC(C)(C)C
MolPort-011-132-105	0.62	COC1=CC=C(C(OC)=C1)C1(O)CCOC1
MolPort-039-337-096	0.62	COC1=CC(O)=C(CC=C(C)C)C2=C1C(=O)CC(O2)C1=CC=C(O)C=C1
MolPort-023-275-753	0.62	COC1=CC(OC)=C2C(=O)C[C@H](OC2=C1CC=C(C)C)C1=CC=CC=C1
MolPort-039-339-032	0.62	COC1=C2C(=O)C[C@H](OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1
MolPort-002-054-240	0.62	CC1(C)CC(=O)C2=C(O1)C=C(O)C=C2O
MolPort-044-754-118	0.62	CC(C)=CCC1=CC(=CC=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1
MolPort-039-338-651	0.62	CC(C)=CCC1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1O
MolPort-002-915-225	0.62	CC1(C)CC(=O)C2=C(O1)C=C(OCC1=C(F)C=CC=C1)C=C2
MolPort-002-915-226	0.62	CC1(C)CC(=O)C2=C(O1)C=C(OCC1=CC(F)=CC=C1)C=C2
MolPort-046-665-505	0.62	CC1=CC=C2C(OCCCC22CO2)=C1
MolPort-001-742-179	0.62	COC1=CC(O)=C2C(=O)C[C@@H](OC2=C1O)C1=CC=CC=C1O
MolPort-009-758-937	0.62	OC1C(O)C(OC2CC3=C(OC2C2=CC(O)=C(O)C=C2)C=C(O)C=C3O)(OC2=C1C(O)=CC(O)=C2)C1=CC(O)=C(O)C=C1
MolPort-022-373-451	0.62	CC1C2=C(OC1(C)C)C=C(O)C=C2
MolPort-046-653-940	0.62	CC1=CC=CC2=C1OCCC21CO1
MolPort-000-142-713	0.62	OCC1CC2=C(O1)C=CC=C2
MolPort-046-700-181	0.62	Cl.C[C@@H](N)CC1=CC=C2OC(C)(C)CCC2=C1
MolPort-002-507-573	0.62	CC1(C)CC(=O)C2=C(O1)C=C(OCC(O)=O)C=C2O
MolPort-003-804-009	0.61	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=CC(OC)=C2
MolPort-003-803-440	0.61	COC1=C(C=O)C=C2CCC(C)(C)OC2=C1
MolPort-014-793-073	0.61	COC1=CC=C(C(OC)=C1)C(C)(O)C1CC1
MolPort-004-399-138	0.61	OC1COC2=C1C=CC(O)=C2
MolPort-039-337-136	0.61	CC(C)=CCC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C1=C(O)C=C(O)C=C1
MolPort-005-944-620	0.61	COC1=CC(O)=C2C(=O)CC(OC2=C1OC)C1=CC=CC=C1
MolPort-035-683-131	0.61	COC1=CC(O)=C2C(=O)C[C@H](OC2=C1OC)C1=CC=CC=C1
MolPort-022-383-381	0.61	COC1=CC2=C(C=C1)C(CCO2)C(O)=O
MolPort-002-510-392	0.61	O=C1C[C@@H](OC2=C1C=CC=C2)C1=CC2=C(OCCO2)C=C1
MolPort-039-052-403	0.61	COC1=C2C(=O)C[C@H](OC2=C(OC)C(O)=C1)C1=CC=CC=C1
MolPort-042-624-498	0.61	COC1=CC2=C(C=C1OC)[C@@H]1COC3=CC(O)=CC=C3[C@@H]1O2
MolPort-005-945-935	0.61	OC1CC2=C(O)C=C3OC(C4=CC=C(O)C=C4)C4(OC5=C(C4=O)C(O)=CC(O)=C5)C3=C2OC1C1=CC=C(O)C=C1
MolPort-039-338-217	0.61	COC1=C(C(C)C)C2=C3[C@H](CCC4=C3C1=CC=C4C)C(C)(C)O2
MolPort-001-842-614	0.61	CC1=C(OCC2=C(F)C=CC=C2)C=CC2=C1OC(C)(C)CC2=O
MolPort-000-145-734	0.61	OC(=O)C1CCC2=C(O1)C=CC=C2
MolPort-005-945-433	0.61	CC(C)=CCC1=CC2=C(OC[C@@H]3[C@H]2OC2=C3C=CC(O)=C2)C=C1O
MolPort-046-153-774	0.61	CC(C)=CCC1=CC(=CC(CC=C(C)C)=C1O)[C@@H]1CC(=O)C2=CC=C(O)C(CC=C(C)C)=C2O1
MolPort-005-945-730	0.61	CC(C)=CCC1=C(O)C(O)=C(CC=C(C)C)C(=C1)[C@@H]1CCC2=CC=C(O)C=C2O1
MolPort-046-156-414	0.61	CC(C)=CCC1=C(O)C=CC(=C1)[C@@H]1CC(=O)C2=C(O1)C(CC=C(C)C)=C(O)C=C2
MolPort-039-052-621	0.61	OC1=CC2=C(C(=O)C[C@H](O2)C2=CC=C(OC3=C(O)C=CC(=C3)[C@@H]3CC(=O)C4=C(O)C=C(O)C=C4O3)C=C2)C(O)=C1
MCULE-1243164622	0.61	C12C=C(OC)C=CC=1OC(C1=CC=C(OC)C=C1)CC2=O
MCULE-9196167573	0.61	C12C(CCC(C)(C)O1)=CC(C=O)=C(OC)C=2
MCULE-5958944505	0.61	C(C1=CC2=C(OCCC2)C=C1)C1OC1
MCULE-7617295584	0.61	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-3429694341	0.61	O1C(C2=CC=C(C=C2)N(=O)=O)C(O)C(C2=CC=C(Br)C=C12)=O
MCULE-1122459209	0.61	C1(C(CCC)=O)=CC=C(C=C1O)OCC1=CC=CC=C1
MCULE-7132233293	0.61	C12C=CC(=CC=1OCCC2C(O)=O)OC
MCULE-8847685016	0.61	COC1C=C(O)C(OC)=C2C=1C(CC(C1C=CC=CC=1)O2)=O
MCULE-9298140592	0.61	O1C2C=CC=CC=2C(C[C@]1([H])C1=CC=C2C(OCCO2)=C1)=O
MCULE-4193314774	0.61	OC1=C2C(C[C@@H](C3C=CC=CC=3)OC2=C(OC)C(OC)=C1)=O
MCULE-9602960797	0.61	C1(O)C(OC)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MCULE-5002156000	0.61	C1(O)C=C2OC[C@@]3([H])C4C=C(OC)C(OC)=CC=4O[C@@]3([H])C2=CC=1
MCULE-1738451204	0.61	CC(OC1=CC2=C(CC(C(C3C=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C=3)O2)OC(C2=CC(OC(=O)C)=C(OC(=O)C)C(OC(=O)C)=C2)=O)C(OC(=O)C)=C1)=O
MCULE-6996102082	0.61	C1(C2C=CC(=CC=2)OCC2C=CC=CC=2)C(C1)CO
MCULE-1088177999	0.61	C12OC(CC(=O)C=1C=CC(OCC1C=CC=CC=1F)=C2C)(C)C
MCULE-7588457893	0.61	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OCC1=CC=C(C=C1)N(=O)=O
MCULE-4563972246	0.61	O1C(CO)CCC2=CC(N)=CC=C12
MCULE-5579568884	0.61	C1C=C2C(OC(C(=O)O)CC2)=CC=1
MCULE-4496634668	0.61	C1(O)C=C2O[C@H](C3C=CC(O)=C(OC4C=CC([C@@H]5CC(=O)C6C(O)=CC(O)=CC=6O5)=CC=4)C=3)CC(=O)C2=C(O)C=1
MCULE-1067987266	0.61	C1=C2C(OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]23[H])=CC(O)=C1C/C=C(\C)/C
MCULE-1583442011	0.61	C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=C(C/C=C(/C)\C)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C2=CC=1
MCULE-4067098142	0.61	C12C(=C(O)C=CC=1C(=O)C[C@@H](C1C=CC(O)=C(C/C=C(/C)\C)C=1)O2)C/C=C(\C)/C
MCULE-3514601221	0.61	C1(O)C=C2O[C@H](C3C=C(C/C=C(/C)\C)C(O)=C(O)C=3C/C=C(\C)/C)CCC2=CC=1
MCULE-1427011280	0.61	C1C=C(C(=O)C2C(O)=C3CCC(C)(C)OC3=CC=2O)C=CC=1
MCULE-2424476488	0.61	C12C=C(O)C=CC=1OC(CC2=O)C1=CC=CC=C1
MCULE-9880315780	0.61	O1C(CCC2=CC=C3C=CC=CC3=C12)C1C=CC=CC=1C(O)=O
MCULE-6451111457	0.61	C12C=C(O)C=CC=1O[C@](CC2=O)([H])C1=CC=CC=C1
MCULE-7556965602	0.61	O1C(CCC2=C3C(C=CC=C3)=CC=C21)C1C=CC=CC=1C(O)=O
MCULE-2778444930	0.61	C1(O)C=C2OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]3([H])C2=C(OC)C=1C/C=C(\C)/C
MCULE-4617683717	0.61	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-8903546853	0.61	CC1=CC2=C(OC(C(O)=O)CC2)C=C1
MCULE-1941541843	0.61	C12C=C(O)C=CC=1C(CC(C)(C)O2)=O
MCULE-8839961697	0.61	C(OC)(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1OCC1=CC=CC=C1
MCULE-6030144398	0.61	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1C1C(=C2C(=O)C[C@@H](C3C=CC(O)=CC=3)OC2=CC=1O)O)CO
MCULE-4597198409	0.61	OC1C(O)C(O)C(OC1C1C(=C2C(=O)CC(C3C=CC(O)=CC=3)OC2=CC=1O)O)CO
MCULE-4102972705	0.61	C12C3C=CC=CC=3C=CC=1C(=O)CC(C1C=CC3=C(OCCO3)C=1)O2
MCULE-5742809714	0.61	C1(OC)C(OC)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1O
MCULE-4952402693	0.61	C12(CCOC3=CC=CC=C13)C(C2)CO
MCULE-8703344646	0.61	O1C(CO)CC2=CC(C)=CC=C21
MCULE-6894860287	0.61	C(CC)(C1C=CC(OCC2C=CC=CC=2)=C(C)C=1O)=O
MCULE-4359777547	0.61	O1C2=CC(=CC=C2C(C)(C)CC21CC(C)(C)C1=CC=C(C=C1O2)O)O
MCULE-8143016945	0.61	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OC
MCULE-4553065305	0.61	C12C=C(C=CC=1C(CC(C)(C)O2)=O)OCC(O)=O
MCULE-3559522784	0.61	C12=CC(C)=CC=C1OC(CC2=O)C1C=CC(=CC=1)Br
MCULE-9154486801	0.61	C1(C(=O)C2C=CC=CC=2OCC2=CC=CC=C2)C(O1)C1=CC=CC=C1
MCULE-5633707092	0.61	C1(C(=O)C=CC2C=CC=CC=2)=CC2CCC(C3C=CC=CC=3)OC=2C=C1O
MCULE-2340526917	0.61	OC1C(C/C=C(\C)/C)=C2OCC3C4=C(OC3C2=CC=1C/C=C(\C)/C)C=C(O)C=C4
MolPort-023-298-962	0.61	CC1(C)CCC2=C(O)C(C(=O)C3=CC=CC=C3)=C(O)C=C2O1
MolPort-008-603-004	0.61	OC(=O)C1=C(C=CC=C1)C1CCC2=C(O1)C=CC1=CC=CC=C21
MolPort-008-603-003	0.61	OC(=O)C1=C(C=CC=C1)C1CCC2=C(O1)C1=CC=CC=C1C=C2
MolPort-001-792-222	0.61	OC1=CC2=C(OC(CC2=O)C2=CC=CC=C2)C=C1
MolPort-046-596-299	0.61	OC1=CC2=C(O[C@@H](CC2=O)C2=CC=CC=C2)C=C1
MolPort-000-856-026	0.61	CC1(C)CC(=O)C2=C(O1)C=C(O)C=C2
MolPort-035-742-817	0.61	CC1=CC=C2OC(CCC2=C1)C(O)=O
MolPort-039-338-719	0.61	CC(C)=CCC1=C(O)C(CC=C(C)C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1O
MolPort-028-960-132	0.61	COC(=O)CC1=C(OCC2=CC=CC=C2)C=C(OCC2=CC=CC=C2)C=C1
MolPort-001-741-374	0.61	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2O[C@@H](CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-006-668-668	0.61	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-338-316	0.61	COC1=C(O)C(OC)=C2C(=O)C[C@H](OC2=C1OC)C1=CC=CC=C1
MolPort-002-511-184	0.61	O=C1CC(OC2=C1C=CC1=CC=CC=C21)C1=CC2=C(OCCO2)C=C1
MolPort-046-158-448	0.61	CC(=O)C1=C(O)C=C2OC(CC2=C1)C(C)(O)CO
MolPort-002-507-621	0.61	CC1(C)CC(=O)C2=C(O1)C=C(OCC(O)=O)C=C2
MolPort-002-126-253	0.61	COC1=CC2=C(C(=O)CC(C)(C)O2)C(O)=C1
MolPort-035-785-311	0.61	CC1(C)CC2(CC(C)(C)C3=CC=C(O)C=C3O2)OC2=CC(O)=CC=C12
MolPort-000-671-069	0.61	CC1=CC2=C(OC(CC2=O)C2=CC=C(Br)C=C2)C=C1
MolPort-001-764-980	0.61	O=C(C1OC1C1=CC=CC=C1)C1=CC=CC=C1OCC1=CC=CC=C1
MolPort-002-846-530	0.60	OC1=C(C=C2CCC(OC2=C1)C1=CC=CC=C1)C(=O)\C=C\C1=CC=CC=C1
MolPort-005-945-631	0.60	CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OCC3C(OC4=CC(O)=CC=C34)C2=C1
MolPort-027-857-488	0.60	NCCOC1=CC=C(CC2COC3=C(C2)C=CC=C3)C=C1
MolPort-027-356-080	0.60	CCCC(O)C1=CC=CC=C1OC(C)C
MolPort-025-494-836	0.60	CCCC(C)(O)C1=CC=CC=C1OC(C)C
MolPort-039-079-516	0.60	CC(C)OCC(O)COC1=CC=C2C(=O)CC(C)(C)OC2=C1
MolPort-011-132-104	0.60	CCOC1=CC=CC=C1C1(O)CCOC1
MolPort-000-751-416	0.60	CC1(CCCCC1)C1=CC2=C(OCC3=CC=CC=C3)C(CC3=CC(=CC(CC4=C(OCC5=CC=CC=C5)C(CC5=C(OCC6=CC=CC=C6)C(C2)=CC(=C5)C2(C)CCCCC2)=CC(=C4)C2(C)CCCCC2)=C3OCC2=CC=CC=C2)C2(C)CCCCC2)=C1
MolPort-003-873-390	0.60	CC1(C)CC(=O)C2=C(O1)C=CC=C2O
MolPort-020-014-451	0.60	N[C@@H]1[C@H](O)COC2=C1C=CC=C2
MolPort-023-313-954	0.60	CC(C)(C)C1=CC=C2OCCC[C@@H](O)C2=C1
MolPort-046-509-834	0.60	N[C@@H]1[C@@H](O)COC2=CC=CC=C12
MolPort-023-313-955	0.60	CC(C)(C)C1=CC=C2OCCC[C@H](O)C2=C1
MolPort-046-646-995	0.60	OCC1CCC2=CC(F)=CC=C2O1
MolPort-006-417-676	0.60	OC1COC2=CC=CC=C2C1=O
MolPort-039-337-120	0.60	CC(C)=CC[C@H](CC1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C1=CC=CC=C1O)C(C)=C
MolPort-000-671-075	0.60	COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(C)C=C2C
MolPort-039-339-012	0.60	CC(C)=CC[C@H](CC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1)C(C)=C
MolPort-039-338-247	0.60	OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)[C@H](O)[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
MolPort-019-937-537	0.60	OC1CC2=C(O)C=C3OC(=O)C4(C(OC5=C4C(O)=CC(O)=C5)C4=CC=C(O)C(O)=C4)C3=C2OC1C1=CC=C(O)C(O)=C1
MolPort-001-740-422	0.60	OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(O)C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O
MolPort-001-741-300	0.60	COC1=C(O)C=CC(=C1)[C@H]1OC2=C(O)C=C(CCCO)C=C2[C@@H]1CO
MolPort-002-818-057	0.60	CC(=O)C1=CC2=C(OC(C)(C)CC2)C=C1
MolPort-003-811-355	0.60	CC1(C)CCC2=C(O1)C=CC(O)=C2
MolPort-035-777-896	0.60	CCOC1=C(C=CC=C1)[C@@H]1CCC[C@H]1O
MolPort-039-312-744	0.60	O[C@@H]1C[C@@H](OC2=CC=CC=C12)C(O)=O
MolPort-019-937-137	0.60	CC(=C)C1CC2=C(O1)C=CC1=C2OCC(C1)C1=C(O)C=C(O)C=C1
MolPort-000-659-529	0.60	CC1=CC2=C(OC(CC2=O)C2=CC3=C(OCCO3)C=C2)C=C1
MolPort-002-509-154	0.60	CC1=CC2=C(C=C1)C(=O)CC(O2)C1=CC2=C(OCCO2)C=C1
MolPort-035-683-128	0.60	COC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=C(O)C=CC=C1
MolPort-005-945-432	0.60	CC(=O)C1=CC2=C(OC(C2O)C(C)(C)O)C=C1
MolPort-035-778-061	0.60	COC1=CC=C([C@H]2CCC[C@@H]2O)C(OC)=C1
MolPort-000-855-697	0.60	Cl.CC1(C)CC(=O)C2=C(O1)C=C(OCC(O)=O)C=C2
MolPort-005-945-697	0.60	CC(C)=CCC1=C(O)C=C2OC[C@@H]3[C@@H](OC4=C(CC=C(C)C)C(O)=CC=C34)C2=C1
MolPort-005-944-003	0.60	COC1=C2C(=O)C[C@@H](C)OC2=C2CCOC2=C1
MolPort-027-879-580	0.60	COC1=CC2=C(CC(CC3=CC=C(CC(N)=O)C=C3)CO2)C=C1
MolPort-002-914-767	0.60	CC1=C(OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=CC2=C1OC(C)(C)CC2=O
MolPort-014-643-928	0.60	COC1=CC=C2C(O)COC2=C1
MolPort-003-808-027	0.60	CO[C@H](CC1=C(O)C=CC=C1)[C@@H](O)C1=CC=CC=C1
MCULE-2962679821	0.60	OC1C2C(=O)CC(OC=2C=C(O)C=1C(=O)C)(C)C
MCULE-9899442301	0.60	C12=CC(OC)=CC=C1CC(CO2)CC1C=C(C)C=CC=1OCC(N)=O
MCULE-2067187231	0.60	C(CC)(C1C(OC)=C(C)C(OCC2C=CC=CC=2)=CC=1)=O
MCULE-4651507748	0.60	C1C=CC(COC2C(OC)=C(OC)C=C(CCC(O)C3C=CC(OC)=C(OCC4C=CC=CC=4)C=3)C=2)=CC=1
MCULE-8737626665	0.60	OCC1C(C2=C3C(CCO3)=CC=C2)C1
MCULE-4060446321	0.60	OC(C(CO)OC1C(OC)=CC=CC=1)C1C=CC(O)=CC=1
MCULE-3377050282	0.60	OC1CCCOC2C1=CC=CC=2
MCULE-3863549308	0.60	C(C)(O)(C1CC1)C1C=CC=CC=1OC(C)C
MCULE-1926401702	0.60	C1(C2=CC=C(C=C2)OCC2C=CC=CC=2)CC1C(C)O
MCULE-7239909963	0.60	CC1(C2=C(C=CC=C2)OCC1)C
MCULE-5817407631	0.60	C1(O)C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-9435481307	0.60	C1(=C2CC(O)C(C)(C)OC2=C(C(=O)O)C(=C1)CCCCC)OC
MCULE-3149822701	0.60	C1(OC(=O)C)C=C2O[C@H](C3C(OC(=O)C)=CC=CC=3OC(=O)C)CC(=O)C2=C(OC(=O)C)C=1
MCULE-7129472979	0.60	C1(C)(CC(C)(C)C2C(=CC(=C(Cl)C=2)OC(C)=O)O1)C1C=C(Cl)C(=CC=1OC(C)=O)OC(C)=O
MCULE-8960596008	0.60	C12OC(CC(=O)C=1C(C)=CC(OCC1C=C(C=CC=1C)C)=C2)(C)C
MCULE-6813410114	0.60	C12=CC(OCC3C=CC=CC=3)=C(C=C1OC(C)(C)CC2=O)OCC1C=CC=CC=1
MCULE-2183171001	0.60	C1(CCCO)C=C2[C@H](CO)[C@@H](C3C=C(OC)C(O)=CC=3)OC2=C(OC)C=1
MCULE-5679241681	0.60	C12[C@H](CO)[C@@H](C3C=C(OC)C(OC)=CC=3)OC=1C(OC)=CC(CCCO)=C2
MCULE-2474302136	0.60	C12=CC(F)=CC=C1OC(CO)CC2O
MCULE-8017483902	0.60	C12=CC(=CC=C1C(N)CC(C)(C)O2)OC
MCULE-8789119815	0.60	C1(C(=O)COC)=CC=C(OCC2C=CC=CC=2)C=C1OCC1C=CC=CC=1
MCULE-2940029331	0.60	C12C=C(OCCC)C=CC=1C(CC(C)(C)O2)=O
MCULE-9098976055	0.60	O1C(CC2=CC=C(O)C=C12)C(O)=O
MCULE-1173100593	0.60	C12C=C(OC)C=CC=1C(CC(C)O2)=O
MCULE-5357665740	0.60	C12=CC(OC)=CC=C1C(CC(C)(C)O2)=O
MCULE-1211429585	0.60	C1(O)C=CC(C(O)C(=O)CC2C=CC(O)=CC=2)=C(OC)C=1
MCULE-8063925804	0.60	CCC1=C(OC(C2=CC=CC=C2)C(O)=O)C=CC=C1
MCULE-2602207918	0.60	CCCC1=C2C(C(CO2)O)=CC=C1
MCULE-4454169298	0.60	C1(=CC=CC=C1OCC)C1CCCCC1O
MCULE-3290394156	0.60	C1(=CC=CC=C1OC(C)C)C(CCC)O
MCULE-7734222323	0.60	C1(C=CC=CC=1OC(C)C)C(C)(CCC)O
MCULE-2500133893	0.60	O1CC(CC2=CC=C(C=C2)OCCN)CC2=CC=CC=C21
MCULE-3874350221	0.60	O1C(CO)CCC2=CC(F)=CC=C12
MCULE-3659632613	0.60	C1C=C2[C@H](N)[C@H](O)COC2=CC=1
MCULE-1718966435	0.60	CC1(OC2=C(C(=CC=C2)O)C(=O)C1)C
MCULE-5411478435	0.60	OC1C(=O)C2=C(C=CC=C2)OC1
MCULE-1870086535	0.60	C12=CC(C3(CCCCC3)C)=CC(CC3C=C(C4(CCCCC4)C)C=C(CC4C=C(C5(CCCCC5)C)C=C(C=4OCC4C=CC=CC=4)CC4C=C(C5(CCCCC5)C)C=C(C=4OCC4=CC=CC=C4)C1)C=3OCC1C=CC=CC=1)=C2OCC1C=CC=CC=1
MCULE-5060068739	0.60	C1(C)=CC=C2C(OC(CC2(C)C)(C)C2C=CC(C)=CC=2OC(C)=O)=C1
MCULE-8793789355	0.60	CC(OCC(COC1=CC2=C(C(CC(O2)(C)C)=O)C=C1)O)C
MCULE-7797086388	0.60	O1C2C=CC=CC=2C(CC1C1C=CC(=C(OC)C=1)OC)=O
MCULE-1651216901	0.60	C1(=O)CC(C2=CC=C(C=C2)OC)OC2C=C(C)C=C(C)C1=2
MCULE-6810010607	0.60	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1
MCULE-5025792577	0.60	C1(O)C(C[C@H](C(=C)C)C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1
MCULE-7481655024	0.60	C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-1363046696	0.60	C12OC(=O)C3(C4C(O)=CC(O)=CC=4OC3C3C=C(O)C(O)=CC=3)C1=C1OC(C3C=C(O)C(O)=CC=3)C(O)CC1=C(O)C=2
MCULE-4792540517	0.60	C1(=CC(=C2C(OC(C3=CC=C(C=C3)O)C(O)C2=O)=C1)O)OC1OC(CO)C(O)C(O)C1O
MCULE-3212750302	0.60	C1(=CC=CC=C1OCC)C1CCCC1O
MCULE-2366276455	0.60	C1(C)OC2=CC=C(O)C=C2CC1
MCULE-3670010525	0.60	CC1(OC2=C(C=C(C=C2)O)CC1)C
MCULE-1774195498	0.60	O1C(C)(C)CCC2=CC(C(C)=O)=CC=C12
MCULE-7398393034	0.60	C(C1=CC(OC)=C(OCC2=CC=CC=C2)C(OC)=C1)(O)C(OC1=CC=CC=C1OC)CO
MCULE-2286630474	0.60	C1(CCCO)C=C2[C@H](CO)[C@@H](C3C=C(OC)C(O)=CC=3)OC2=C(O)C=1
MCULE-4466733333	0.60	C12C3CC(C(C)=C)OC=3C=CC=1CC(C1C=CC(O)=CC=1O)CO2
MCULE-3711190397	0.60	C12C(=O)CC(C)(C)OC=1C=C(C=C2)OCC1C=CC(N(=O)=O)=CC=1
MCULE-3316368164	0.60	C12C=C(C)C=CC=1OC(CC2=O)C1=CC=C2C(OCCO2)=C1
MCULE-9922758733	0.60	C1(O)C(OC)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1
MCULE-6777649457	0.60	C12C=C(C)C=CC=1C(=O)CC(C1C=CC3=C(OCCO3)C=1)O2
MCULE-6098726179	0.60	C1(=CC=C2OC(C(O)(C)C)C(O)C2=C1)C(C)=O
MCULE-6374209365	0.60	C12CCCOC=1C=CC(CCC(C)=O)=C2
MCULE-9278940968	0.60	C1C(=C2C(=O)C[C@H](OC2=C2CCOC=12)C)OC
MCULE-8937553749	0.60	COC1=CC2=C(C(CO2)O)C=C1
MCULE-9549554047	0.60	C1(CCCCC)C=CC(OCCCCOC2C(CCCCC)=CC(CCCCC)=CC=2)=C(CCCCC)C=1
MCULE-4063032617	0.60	C1(=CC=C(C=C1OC)OC)C1CCCC1O
MCULE-1304238127	0.60	C1(O)C=C2OC[C@@]3([H])C4C=CC(O)=C(C/C=C(\C)/C)C=4O[C@@]3([H])C2=CC=1C/C=C(\C)/C
MCULE-2128104276	0.60	C12=CC(OC)=CC=C1CC(CO2)CC1C=CC(=CC=1)CC(N)=O
MCULE-5089786365	0.60	C12C(OC)=CC(=CC=1OC(C)(C)CC2=O)OC
MCULE-7162447559	0.60	[C@H](OC)([C@@H](O)C1C=CC=CC=1)CC1C=CC=CC=1O
MCULE-1252928951	0.60	Cl.C12C=C(C=CC=1C(CC(C)(C)O2)=O)OCC(O)=O
MCULE-3904810129	0.60	O1C2C=CC3C(=CC=CC=3)C=2CCC1(C)O
MCULE-8275106243	0.60	C12OC(CC(=O)C=1C=CC(OCC1=CC(=CC(C(F)(F)F)=C1)C(F)(F)F)=C2C)(C)C
MCULE-3899828270	0.60	C1(O)C=C2OC[C@@]3(O)C4C=C5OCOC5=CC=4O[C@@]3([H])C2=CC=1
MCULE-1448352918	0.60	C1(OC)C=C2OC[C@@]3(O)C4C=C5OCOC5=CC=4O[C@@]3([H])C2=CC=1
MCULE-5292341488	0.60	C1=C(OC)C=C2C([C@]3(OC4C=C5OCOC5=CC=4[C@]3(CO2)O)[H])=C1
MCULE-3938369351	0.60	C1(CC(C2C=C(C=CC=2O1)Cl)=O)C1=CC=C(OC)C=C1
MCULE-6367958739	0.60	C12C(O)=CC(=CC=1OC(CC2=O)(C)C)OCC(OC)=O

---