Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-5844706578	1	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MCULE-3556948980	1	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](C(O)=O)(C)C1
MolPort-039-338-334	1	C\C(C=C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-029-887-059	1	C\C(C=C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MCULE-3788851533	0.88	[C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MCULE-3588534045	0.88	C12(C)CCCC(C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MolPort-002-511-643	0.88	CC(C)C1=CCC2C(CCC3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1
MolPort-045-901-862	0.88	CC(C)C1=CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1
MolPort-046-689-149	0.87	CCCCC\C=C\C=C\CCCCCCCCC(O)=O
MolPort-009-018-862	0.87	CCCCCC\C=C\C=C/CCCCCCCC(O)=O
MolPort-006-169-924	0.87	CCCCC\C=C/C=C/CCCCCCCCC(O)=O
MolPort-009-018-846	0.87	CCCCC\C=C/C=C\CCCCCCCCC(O)=O
MolPort-002-526-712	0.85	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2=CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-044-561-305	0.83	CCCCC\C=C/C=C/C=C\CCCCCCC(O)=O
MolPort-039-139-043	0.83	CCCC\C=C\C=C\C=C/CCCCCCCC(O)=O
MolPort-006-111-740	0.83	CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O
MCULE-9085462824	0.81	OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-2562092030	0.81	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](CO)(C)C1
MolPort-035-706-545	0.81	C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C
MCULE-6354515204	0.80	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MolPort-039-338-149	0.80	C\C(C=O)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-035-683-013	0.79	OC(=O)C1C2CC\C=C/CC\C=C/CCC12
MolPort-002-134-879	0.79	OC(=O)C1C2CC\C=C\CC\C=C/CCC12
MCULE-6685866242	0.79	C(C(=O)O)CCCCCCC(O)/C=C/C=C/CCCCC
MolPort-038-948-537	0.79	CCCCC=C1CCC(CC(O)=O)CC1
MolPort-038-948-469	0.79	CCC=CC1CCC(CC1)C(O)=O
MolPort-001-740-393	0.79	CCCCC\C=C\C=C\C(O)CCCCCCCC(O)=O
MolPort-006-668-454	0.79	CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O
MolPort-046-788-529	0.79	CC(=O)\C=C\C=C\CCCCCCC(O)=O
MolPort-044-561-076	0.79	CCCCC\C=C\C=C\C(=O)CCCCCCCC(O)=O
MolPort-005-944-603	0.79	CCCCCC\C=C/C=C/C(O)CCCCCCC(O)=O
MolPort-001-740-913	0.78	C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-039-338-320	0.78	C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MCULE-1438242882	0.78	C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
MCULE-3455137708	0.78	C(O)(CC(C)CC/C=C(/C)\C)=O
MolPort-001-792-025	0.78	CC(CCC=C(C)C)CC(O)=O
MolPort-003-930-561	0.78	C[C@H](CCC=C(C)C)CC(O)=O
MolPort-002-507-350	0.77	CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-028-606-852	0.77	CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
MolPort-035-683-228	0.77	CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-023-221-456	0.77	CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
MolPort-001-781-437	0.77	CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
MCULE-6641232569	0.77	CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-1755461261	0.77	[C@]1(C)(CCC(=O)O)C2CC[C@]3([H])[C@@]([H])([C@@](O)(CC/C=C(\C)/C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C
MCULE-1670830332	0.77	C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
MCULE-6441405293	0.77	OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-9038165616	0.77	CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-4778256781	0.77	C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
MolPort-046-153-098	0.77	CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CCC1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
MolPort-020-005-730	0.77	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-044-727-744	0.76	CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-028-747-803	0.76	CCCCCCC=CCCCCCCCC(O)=O
MolPort-003-849-687	0.76	CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-001-740-137	0.76	CCCCCC\C=C/CCCCCCCC(O)=O
MolPort-039-010-546	0.76	OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-001-788-274	0.76	CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-006-169-615	0.76	CCCCCC\C=C\CCCCCCCC(O)=O
MolPort-001-780-043	0.76	CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
MolPort-006-112-294	0.76	CCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-028-747-855	0.76	CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-044-727-743	0.76	CCCC\C=C\CCCCCCCCC(O)=O
MolPort-003-959-025	0.76	CCCCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-941-268	0.76	CCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-035-882-134	0.76	CCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-941-733	0.76	CCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-023-332-220	0.76	OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-046-426-229	0.76	CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-046-426-181	0.76	CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-003-958-761	0.76	CCCC\C=C\CCCCCCCC(O)=O
MolPort-003-958-711	0.76	CCCC\C=C/CCCCCCCC(O)=O
MolPort-003-959-363	0.76	CCCCCCCCCCC\C=C/CCCCC(O)=O
MolPort-003-939-503	0.76	CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
MolPort-003-959-881	0.76	CCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-001-739-604	0.76	CC(C)CCCCCC\C=C/CCCCC(O)=O
MolPort-000-882-023	0.76	CCCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-009-019-234	0.76	CCCCC\C=C/CCCCCCCCCCCCC(O)=O
MolPort-003-925-831	0.76	CCCCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-009-019-050	0.76	CCCCCCCC\C=C/CCCCCC(O)=O
MolPort-046-763-123	0.76	CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-009-019-440	0.76	CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
MolPort-003-933-468	0.76	CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-933-186	0.76	CCCCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-021-804-454	0.76	CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-021-804-810	0.76	CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MCULE-3005532858	0.76	OC(C1(CCC1)CC1CC=CC1)=O
MCULE-7702176615	0.76	CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-6044533117	0.76	OC(CCCCCCC/C=C\CCCCCCCC)=O
MCULE-3248745724	0.76	C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MCULE-9547538729	0.76	CCCCCCCCC=CCCCCCCCC(O)=O
MCULE-2896292130	0.76	OC(C1(CC1)CC1CC=CC1)=O
MCULE-4596209637	0.76	CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-8191255112	0.76	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MCULE-8798348917	0.76	C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-3553508294	0.76	OC(C1C(CC2CC=CC2)CC1)=O
MCULE-7761893081	0.76	C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-6884173238	0.76	CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-3046418352	0.76	CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-7592205580	0.76	C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-9914820446	0.76	C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-1046270451	0.76	OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-5077473579	0.76	C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-8054022250	0.76	C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-8824898935	0.76	C(CC(C(C)C)/C=C/C(=C)CCC(=O)O)C(=O)C
MolPort-039-339-168	0.76	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-039-338-562	0.76	CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-046-793-096	0.76	CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-128	0.76	CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-035-706-341	0.75	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MolPort-005-944-674	0.75	CCCCCCCCC(=O)\C=C\C=C\C(=O)CCCC(O)=O
MCULE-3541967763	0.75	[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MolPort-023-298-927	0.75	CCC(=O)\C=C\C=C\C=C\C(=O)CCCCCCCC(O)=O
MCULE-1190191150	0.75	OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MolPort-035-706-317	0.75	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
MCULE-4790948193	0.75	OC(=O)CCCCCCCC(/C=C/C=C/C=C/C(=O)CC)=O
MolPort-046-594-326	0.74	CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-023-220-689	0.74	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-035-706-224	0.74	CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-044-723-428	0.74	[Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
MolPort-006-111-035	0.74	[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-118-208	0.74	[Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-028-962-365	0.74	CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-044-831-841	0.74	OC(=O)CC1CCC=CCC1
MolPort-006-111-036	0.74	[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-046-788-533	0.74	CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-153-713	0.74	CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-006-116-655	0.74	[Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
MCULE-9853941800	0.74	CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-2582517969	0.74	C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MCULE-3222494622	0.74	C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-2893862044	0.74	[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-1248316974	0.74	C/C(/C)=C/CCC1(CCC(=O)CC1)O
MCULE-2611969931	0.74	[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-6262778979	0.74	OC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-2467601128	0.74	C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-1068095495	0.74	OC1(CCC(=O)CC1)CC1CC=CC1
MCULE-4188975486	0.74	O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MCULE-9234552398	0.74	C1/C(/C(CC[C@@H]1O)=C)=C/C=C1\CCC[C@]2(C)[C@@H]([C@@H](CC(=O)O)C)CC[C@]2\1[H]
MCULE-1875219399	0.74	C1/C(/C(CC[C@@H]1O)=C)=C/C=C1/[C@]2([H])CC[C@H]([C@@H](C(=O)O)C)[C@@]2(C)CCC/1
MCULE-9153738942	0.74	C(CCCCC=CC(C)C)(O)=O
MolPort-003-698-717	0.74	CC(C)\C=C/CCCCC(O)=O
MolPort-001-764-454	0.74	CC(C)\C=C\CCCCC(O)=O
MolPort-039-338-146	0.73	C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-046-153-162	0.73	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-046-141-505	0.73	OC(=O)C1CC2CC=CC(C2)C1
MolPort-006-069-138	0.73	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-046-594-431	0.73	CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MolPort-001-742-271	0.73	C\C(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C\CO
MolPort-028-754-126	0.73	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-006-069-379	0.73	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-016-633-333	0.73	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-038-386-024	0.73	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-039-052-462	0.73	C\C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO
MolPort-039-338-325	0.73	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-038-386-525	0.73	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-016-633-342	0.73	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-038-941-702	0.73	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-005-945-090	0.73	C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\CO
MCULE-6713995732	0.73	C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-2817082882	0.73	C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-7147126046	0.73	C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-4851646103	0.73	CC1CCC(C2(C(O)=O)CC=CC2)CC1
MCULE-9341616847	0.73	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-4504483614	0.73	C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-3664047551	0.73	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-5267198059	0.73	OC(C1(CC=CC1)CC1CCCCC1)=O
MCULE-8056155072	0.73	C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-5025931577	0.73	C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-8500547238	0.73	CC1CC(C2(C(O)=O)CC=CC2)CCC1
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MCULE-5551120975	0.60	C(CCCCCCCCC=C)(OC)=O
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MCULE-7051383473	0.60	C1(C)(C)C(=C)CCC1C(O)C(O)=O

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