Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-001-740-226	1	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(=C)C3)C(O)=O
MCULE-1825122879	0.97	OC1C(O)=C(O)C(C(=O)CCCCCCCC)=CC=1
MCULE-4743270025	0.97	C(CCCCCCCCC)(C1=CC=C(O)C(O)=C1O)=O
MolPort-021-804-810	0.95	CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-021-804-810	0.95	CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-039-338-320	0.92	C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-001-740-913	0.92	C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-021-804-631	0.92	CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
MolPort-021-804-631	0.92	CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
MolPort-039-338-320	0.92	C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-044-723-335	0.90	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
MolPort-044-637-461	0.90	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-039-338-736	0.90	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-044-637-537	0.90	CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
MCULE-1085055965	0.90	C1=CC=CC(=C1)CCCCCCCCC(=O)C1C(O)=CC(O)=CC=1O
MCULE-3808312487	0.90	C1(C(CCCCCCCCCCC)=O)=CC=C(C=C1O)O
MCULE-5510283478	0.90	C1(C(CCCCC(=O)C2=CC=C(O)C=C2O)=O)=CC=C(O)C=C1O
MCULE-7251354219	0.90	C1(C(CCCCC)=O)=CC=C(C=C1O)O
MCULE-1146348850	0.90	C1(C(CCCCCCCC)=O)=CC=C(C=C1O)O
MCULE-1281773115	0.90	C1=C(O)C(C(=O)CCCCCCCCC)=CC=C1O
MCULE-4732647913	0.90	C1C(O)=C(C(=O)CCCCCCC)C=CC=1O
MCULE-2504320544	0.90	C1(C(CCCCCC)=O)=CC=C(C=C1O)O
MCULE-4858914477	0.90	C1C(O)=C(C(=O)CCCCCCCCCCCCC)C=CC=1O
MolPort-044-727-594	0.90	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-035-706-314	0.90	CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-001-742-389	0.90	C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-046-153-799	0.90	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-039-338-736	0.90	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-039-339-207	0.90	CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-044-637-461	0.90	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-044-637-536	0.90	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
MolPort-044-723-335	0.90	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
MolPort-044-727-594	0.90	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-044-637-537	0.90	CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
MolPort-035-706-314	0.90	CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-039-339-207	0.90	CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-046-153-799	0.90	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-044-637-536	0.90	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
MolPort-039-338-234	0.89	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
MolPort-046-697-152	0.89	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
MolPort-046-697-152	0.89	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
MolPort-039-338-234	0.89	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
MolPort-035-706-224	0.88	CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-023-220-689	0.88	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-001-972-569	0.88	OC(=O)C1C2C1C1CC2C=C1
MolPort-039-338-325	0.88	C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-035-706-224	0.88	CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-028-754-126	0.88	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-046-594-431	0.88	CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MolPort-016-633-342	0.88	C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-039-338-737	0.88	CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-039-338-325	0.88	C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-016-633-333	0.88	CC1(C)C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-046-141-505	0.88	OC(=O)C1CC2CC=CC(C2)C1
MolPort-038-941-702	0.88	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-038-941-702	0.88	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-046-594-326	0.88	CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-028-754-126	0.88	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-023-220-689	0.88	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-046-594-326	0.88	CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-039-338-737	0.88	CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-046-594-431	0.88	CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MolPort-046-141-505	0.88	OC(=O)C1CC2CC=CC(C2)C1
MCULE-8263916464	0.88	C1(=CC(=CC=C1O)O)C(CCCCC)=O
MCULE-5851600059	0.88	C1(=CC(O)=CC=C1O)C(CCCCCCCCCCC)=O
MCULE-4429858720	0.88	C1(=CC(=CC=C1O)O)C(CCCCCCC)=O
MCULE-9214430462	0.88	C1(=CC(=CC=C1O)O)C(CCCCCC)=O
MCULE-4654726652	0.88	C1(=CC(=CC=C1O)O)C(CCCCCCCC)=O
MCULE-5143539864	0.88	C1(C=CC(=CC=1O)O)C(C1CCCCC1)=O
MCULE-6367336450	0.88	C1(C(=CC=CC=1O)O)C(CCCCCCCCCCC)=O
MCULE-5946550944	0.88	C1(=CC(O)=CC=C1O)C(CCCCCCCCCC)=O
MCULE-8240553518	0.88	C1C(O)=C(C(=O)CCCCCCCCCCCCC)C=C(O)C=1
MCULE-4324010460	0.88	C1(=CC(O)=CC=C1O)C(CCCCCCCCCCC(=O)C1=CC(O)=CC=C1O)=O
MCULE-1272262650	0.88	C1(=CC(O)=CC=C1O)C(CCCCCCCCC)=O
MCULE-7087845714	0.87	C1(C(CCC)=O)=CC(O)=C(C=C1O)O
MolPort-046-508-998	0.86	CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(O)=O)[C@@H](CC3)C(C)=C)C(O)=O
MolPort-001-740-301	0.86	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(O)(CO)C3)C(O)=O
MolPort-046-790-494	0.86	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O
MolPort-046-790-494	0.86	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O
MolPort-046-508-998	0.86	CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(O)=O)[C@@H](CC3)C(C)=C)C(O)=O
MCULE-5819616687	0.86	C1(C(CCCC)=O)C=CC(=CC=1O)O
MolPort-035-706-317	0.85	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
MolPort-029-215-812	0.85	OC(=O)CC1CC2CC1C=C2
MolPort-035-706-317	0.85	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
MolPort-029-215-812	0.85	OC(=O)CC1CC2CC1C=C2
MolPort-016-630-900	0.85	OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
MCULE-2036779208	0.85	C1(=CC=C(C(O)=C1)O)C(CCCCCCCCCCCCCCCC)=O
MCULE-2268342844	0.85	C1(=CC=C(C(O)=C1)O)C(CCCCCCCCC)=O
MCULE-1213217702	0.85	C1(=CC(=CC=C1O)O)C(CCCC)=O
MCULE-9491292679	0.85	C1(C=CC(=C(O)C=1)O)C(CCCCCCCCCCCCCCCCC)=O
MCULE-6983208431	0.85	C1(=CC=C(C(O)=C1)O)C(CCCCCCC)=O
MCULE-1483614196	0.85	C1(C=CC(=C(O)C=1)O)C(CCCCCCCCCCC)=O
MCULE-6237440368	0.85	C1(=CC=C(C(O)=C1)O)C(CCCCC)=O
MolPort-035-706-391	0.84	CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
MolPort-021-804-809	0.84	CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-035-706-391	0.84	CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
MolPort-021-804-809	0.84	CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MCULE-5387016398	0.84	C(CCCCCCCC)(C1C=CC(O)=C(C)C=1O)=O
MCULE-1961018349	0.84	O=C(CCCCC)C1C(O)=C(C)C(O)=CC=1
MCULE-3080774256	0.84	C(CCCCCC)(C1C=CC(O)=C(C)C=1O)=O
MCULE-2252041593	0.84	C1C=C(C(=O)CCCCC)C(O)=CC=1
MCULE-2232499968	0.84	C1(C(CCCCCC)=O)C(O)=CC(=C(O)C=1)C
MCULE-1737289899	0.84	C1(=CC=CC=C1O)C(CCCCCCCC)=O
MCULE-3711172064	0.83	C(CCCCCCCCC(C1=C(O)C2C=CC=CC=2C=C1)=O)(C1C=CC2C=CC=CC=2C=1O)=O
MCULE-7183157733	0.83	C12C=CC=CC=1C=CC(C(=O)CCCCCCCCCCCCCCCCC)=C2O
MCULE-6689253515	0.83	C1(C(CCCCCCC(=O)C2=CC=C(C=C2O)C)=O)=CC=C(C=C1O)C
MCULE-3664565610	0.83	C1(=C(O)C=CC2=CC=CC=C12)C(CCCCCCCCCCC)=O
MCULE-9703159668	0.83	C1(C(CCCCC(=O)C2=CC=C(C=C2O)C)=O)=CC=C(C=C1O)C
MCULE-1306869595	0.83	C1(C(CCCCCCCCCCC(=O)C2=CC=C(C=C2O)C)=O)=CC=C(C=C1O)C
MCULE-4725291311	0.83	C1(C(CCCCCCCCCC)=O)=CC=C(C=C1O)C
MCULE-5859528748	0.83	C1(C(CCCCCCCCCCC)=O)=CC=C(C=C1O)C
MolPort-001-740-973	0.83	C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
MolPort-039-338-222	0.83	C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O
MolPort-039-052-704	0.83	CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-039-338-222	0.83	C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O
MolPort-039-052-704	0.83	CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MCULE-2185441816	0.82	C1(C(CCCC(=O)C2C=CC(=CC=2O)C)=O)=CC=C(C=C1O)C
MCULE-4117710386	0.82	C12C=C(C=C(O)C=1CCCCC2=O)O
MolPort-039-338-287	0.82	C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-508-765	0.82	OC(=O)C[C@H]1CCC=CC1
MolPort-003-663-637	0.82	OC(=O)C1CCC\C=C/CC1
MolPort-035-706-309	0.82	CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
MolPort-020-005-730	0.82	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
MolPort-035-706-174	0.82	C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
MolPort-002-841-841	0.82	CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
MolPort-022-366-503	0.82	OC(=O)CC1CCC=CC1
MolPort-046-790-504	0.82	CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-046-508-765	0.82	OC(=O)C[C@H]1CCC=CC1
MolPort-044-562-375	0.82	CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-022-366-503	0.82	OC(=O)CC1CCC=CC1
MolPort-028-745-366	0.82	CC(C)=CCCC1=CCC(CC1)C(O)=O
MolPort-035-706-174	0.82	C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
MolPort-035-706-309	0.82	CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
MolPort-044-562-375	0.82	CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-046-790-504	0.82	CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-039-338-287	0.82	C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-020-005-730	0.82	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
MolPort-028-745-366	0.82	CC(C)=CCCC1=CCC(CC1)C(O)=O
MCULE-5637787307	0.81	CCCC(C1=C(C=C(O)C=C1O)O)=O
MCULE-7886488799	0.81	C1(C(CCCCCCCCC)=O)=CC(CCCCCC)=C(C=C1O)O
MCULE-6982342033	0.81	C1(C=CC=CC=1O)C(=O)CCC1CCCC1=O
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