Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-2040575765	1	CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(CO)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1O)C
MCULE-5204543094	1	C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-2479027298	1	C12(C)CCC3(C([H])(C(CC3)C(C)=C)C1([H])CCC1([H])C2(C)CCC2(C1(C)CCC(O)C2(C)C)[H])CO
MCULE-5403675724	1	[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1C(=C)C2
MCULE-1977304897	1	C12C(CCC3C4C(C5CCC(C(C)(C)C5CC4)O)CCC13)C(CC2C(C)=C)CO
MCULE-2732428803	1	[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(O)C2(C)C)CO
MolPort-002-524-880	1	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-742-486	1	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-002-507-239	1	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]12
MolPort-007-980-812	1	CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-046-195-008	1	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12
MolPort-002-528-437	1	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-035-801-460	1	CC(=C)C1CC(CO)C2CCC3C(CCC4C3CCC3C4CCC(O)C3(C)C)C12
MolPort-002-512-344	1	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-000-714-517	1	CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-046-158-389	0.95	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-000-738-377	0.95	CC(=C)C1CCC2(C)CC[C@]3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-525-934	0.95	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-911-163	0.95	CC(O)C1CCC2C3CC[C@@]4(C)CCC(=C)CC4(C)C3CCC12C
MolPort-002-911-160	0.95	C[C@]1(O)CCC2C3CC[C@H]4CCC(=C)CC4(C)C3CCC12C
MolPort-003-927-230	0.95	CC(C)(O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
MolPort-007-980-882	0.95	CC(=C)[C@@H]1CCC2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-742-379	0.95	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-742-380	0.95	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-006-111-741	0.95	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-009-194-534	0.95	OCC1CCC(=C)CC1
MCULE-9054991327	0.95	C1(=C)C2CCC1CC(CO)C2
MCULE-2538841501	0.95	C12(C(C)O)CCC(C(=C)C1(C)C)C2
MCULE-1457963521	0.95	C12CC[C@@]3([H])CCC(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C
MCULE-8763812176	0.95	[C@]12([H])[C@H](C(C)=C)CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
MCULE-7379269815	0.95	CC1(C(CCC=C)CCCC1)O
MCULE-7927989762	0.95	C1(=C)C2CCCC1CC(CO)C2
MCULE-5310074418	0.95	CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1O)C
MCULE-5964566264	0.95	CC(CC[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-7834366617	0.95	CC(CCC1C(O)(C)CCCC1)=C
MCULE-2551726771	0.95	C12CC[C@@]3(C)CCC(=C)CC3(C)C1CCC1(C)C(CCC21)C(O)C
MCULE-6674525093	0.95	[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(O)C2(C)C)C
MCULE-2562807594	0.95	C[C@@]1([C@H](CCC=C)CCCC1)O
MolPort-039-052-485	0.91	CC(C)(O)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MCULE-4082238737	0.91	C1(O)C2(C)C3(C)C(C1C(=C)CC2)(C)CCC3
MCULE-8905536335	0.91	[C@]12([H])C(CCC[C@]1(C)CCC(C(C)(CO)O)C2)=C
MCULE-8544282007	0.91	C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
MCULE-8708469018	0.91	[C@]12(C)CCCC(C)(C)C1CCC(C)(O)C2CCC(=C)C=C
MCULE-7805667631	0.91	C(C)(=C)C1CCC2(C)CCC3(C)C(C21)CCC1C3(C)CCC2CC(O)(C(O)(C)C)CCC21C
MCULE-1652497439	0.91	C1C[C@]2(C)CC[C@@H](C(O)(C)C)C[C@@]2([H])C(=C)[C@@H]1O
MCULE-2789395858	0.91	C1C[C@]2(C)CC[C@@H](C(=C)CO)C[C@@]2([H])[C@@](O)(C)C1
MCULE-2796363664	0.91	C12(C)CCC(CC1(CC=C)O)C2(C)C
MCULE-9779509739	0.91	[H]C12CC(O)CCC1(C)C1CCC3(C)C(C=C)(O)CCC3C1CC2
MCULE-2611554707	0.91	C12(C)CCCC(C)(CO)C1CCC(=C)C2CCC(C)(O)C=C
MCULE-1430857505	0.91	C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MolPort-039-052-492	0.91	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-029-938-328	0.91	CC(O)(CC1CC2CCC1C2)C=C
MolPort-002-729-398	0.91	CC1(C)C2CCC1(C)C(O)(CC=C)C2
MolPort-029-887-077	0.91	C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)CO
MolPort-044-723-381	0.91	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-044-723-367	0.91	CC(C)(O)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1
MolPort-001-740-488	0.91	CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1
MolPort-046-158-412	0.91	CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2C1
MolPort-001-742-392	0.91	CC(O)(CO)C1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
MolPort-000-703-193	0.91	CC1(C)CCC[C@]2(C)C(CCC(=C)C=C)C(C)(O)CCC12
MolPort-001-741-746	0.91	C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@H]12
MolPort-046-153-158	0.91	CC(=C)C1CCC2(C)C(O)CCC(C)(O)C2C1
MolPort-029-939-358	0.91	OC(CC1CC2CCC1C2)C=C
MolPort-039-142-052	0.91	C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO
MolPort-039-338-212	0.91	C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-000-124-379	0.91	CC(O)(CCC1C(=C)CCC2C(C)(CO)CCCC12C)C=C
MolPort-002-524-392	0.91	CC1(C)CCC[C@]2(C)[C@@H](CCC(=C)C=C)[C@](C)(O)CC[C@@H]12
MolPort-039-052-694	0.91	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-027-835-585	0.90	C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
MolPort-027-853-629	0.90	CC(CCO)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
MolPort-006-111-540	0.90	CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MCULE-4277793393	0.90	C1C[C@]2(C)[C@@H](CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CCC3=C)C(=C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-9485824567	0.87	C1[C@@H](O)[C@]2(C)CC[C@]([H])([C@H](O)C(C)C)[C@@]2([H])C(=C)C1
MCULE-4612736693	0.87	C1C[C@@]2([H])C(=C)CC[C@@H](C(C)C)[C@]2([H])[C@H](O)[C@@]1(C)O
MCULE-2356143153	0.87	OC(C12CCCC1C2)C=C
MCULE-1618072645	0.87	C12(C)CCCC(C)(C)C1CCC(C)(O)C2CC(C)(O)C=C
MCULE-9569994888	0.87	CC(C(C12CCCC1C2)O)=C
MCULE-4538160194	0.87	OC(C12CCCC1C2)CC=C
MCULE-4202024247	0.87	C1(O)C(CC(C)(O)C)C(C=C)CC1
MCULE-1546851504	0.87	C1[C@@H](O)[C@]2(C)CC[C@]([H])(CC(C)=C)[C@@]2([H])C(=C)C1
MCULE-7124383227	0.87	C1[C@](O)(C)[C@@H](O)C[C@H](C(C)=C)C1
MCULE-6489336257	0.87	OC1(CC2CC(CC2)C1)CCC=C
MCULE-1841707227	0.87	CC(C1(CC2CC(CC2)C1)O)=C
MCULE-6380276570	0.87	OC1(CC2CC(CC2)C1)CC=C
MCULE-8721262408	0.87	C12(C)CCCC(C)(C)C1C(CC(=C)C2CCC(C)(O)C=C)O
MCULE-2616770713	0.87	C1C[C@]23C[C@@]42CC[C@]2(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C)CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@H](C)[C@H]1O
MCULE-8814843421	0.87	OC1(C=C)CC2CC(CC2)C1
MolPort-039-052-499	0.87	CC(=C)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1
MolPort-028-599-902	0.87	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C
MolPort-035-706-374	0.87	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-035-706-276	0.87	CC(=C)C[C@H]1CC[C@]2(C)[C@@H]1C(=C)CC[C@H]2O
MolPort-035-706-275	0.87	CC(C)[C@@H](O)[C@H]1CC[C@]2(C)[C@@H]1C(=C)CC[C@H]2O
MolPort-028-599-901	0.87	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-005-911-223	0.87	CC(O)(CC1[C@@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-046-153-724	0.87	CC(C)[C@@H]1CCC(=C)[C@@H]2CC[C@](C)(O)[C@@H](O)[C@@H]12
MolPort-001-981-673	0.87	CC(O)(CC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C
MolPort-039-342-455	0.87	CC(O)(CCC1C(=C)CC(O)C2C(C)(C)CCCC12C)C=C
MolPort-039-338-183	0.87	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-039-338-367	0.86	C[C@@]1(CC[C@@H]2[C@@]3(C)CCC[C@@](C)(CO)[C@@H]3CC[C@@]2(O)C1)C=C
MolPort-003-932-880	0.86	C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C
MolPort-001-782-935	0.86	OC1CCCCC1CC=C
MolPort-028-951-588	0.86	CC(O)(CC=C)C1CCCCC1
MolPort-046-008-579	0.86	O[C@@H]1CCC[C@H]1CC=C
MolPort-002-512-911	0.86	CC(CCC(O)C(C)(C)O)C=C
MolPort-002-510-257	0.86	CC1CCC(C(O)C1)C(C)=C
MolPort-003-936-684	0.86	OC1(CCCCC1)C=C
MolPort-046-008-744	0.86	OC1CCCCC1C=C
MolPort-038-387-157	0.86	O[C@@H]1CCCC[C@H]1CC=C
MolPort-003-895-936	0.86	C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C
MolPort-044-198-582	0.86	OCC1(CC=C)CCCC1
MolPort-044-624-388	0.86	OCC1(CC=C)CCCCC1
MCULE-2306445220	0.86	C1(O)(C=C)C(C)CCC(C(C)C)C1
MCULE-5148579161	0.86	CC(C[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-1023726917	0.86	C[C@@]1([C@H](CC=C)CCCC1)O
MCULE-4556255500	0.86	CCC(C[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-2678449677	0.86	C1(O)(CC=C)CCCCC1
MCULE-7409280646	0.86	CC1C(C)(C)C(C(CC=C)O)(C)CC1
MCULE-2425830614	0.86	C1(C)(O)C(C)CCC(C(C)=C)C1
MCULE-1672318153	0.86	C(C)(C)(O)C(O)CCC(C)C=C
MCULE-2035256108	0.86	C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C[C@]3(O)CC[C@@]2([H])[C@](C)(CO)C1
MCULE-6951581773	0.86	CCC(CC1C(O)(C)CCCC1)=C
MCULE-5841352334	0.86	C1(CCO)C(=C)CCCC1C
MCULE-2742387399	0.86	CC1C(C)(C)C(C(C(C)=C)O)(C)CC1
MCULE-2322169644	0.86	CC(CC1C(O)(C)CCCC1)=C
MCULE-5014251892	0.86	CC(C=C)(CC1CCCCC1)O
MCULE-6234017937	0.86	CC(C(CC1CCCCC1)(O)C)=C
MCULE-6770484471	0.86	CC(C(CC1CCCC1)(O)C)=C
MCULE-3139667111	0.86	C12C3C4C5C1C(C1C5C(C4CC3(C=C)O)CC1(C=C)O)CC2
MCULE-2632884278	0.86	CC1(C(CC=C)CCCC1)O
MCULE-1364206981	0.86	CC(C=C)(CC1CCCC1)O
MCULE-7120659957	0.86	C1CC2(C)C(CCC(O)(C=C)C)CCCC2C(C)(C)C1
MCULE-5222419035	0.86	C(CCCC(CCCC=C)O)=C
MolPort-001-760-000	0.86	OCCCCCCCCCC=C
MolPort-035-943-082	0.86	OC(CCCC=C)CCCC=C
MolPort-021-072-420	0.86	CC(O)C(C)CCCC=C
MolPort-021-498-650	0.86	CC(O)CC(C)CCC=C
MolPort-001-792-059	0.86	CC(CCCC(C)(C)O)C=C
MolPort-042-681-652	0.86	C[C@@H](O)CCCCCCC=C
MolPort-006-120-143	0.86	OCCCCCCC=C
MolPort-028-750-958	0.86	OCCCCCCCC=C
MolPort-001-769-701	0.86	OCCCCCCCCC=C
MolPort-039-338-153	0.84	CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C[C@@H](O)[C@H]12)[C@@H](O)C4=C
MolPort-035-706-210	0.83	CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(=C)C[C@@]12O
MolPort-039-141-892	0.83	C[C@@H]1[C@@H](O)[C@H](O)C[C@@H](CO)[C@]11CC[C@H](C1)C(C)=C
MolPort-039-338-299	0.83	CC(=C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)C[C@@]12C
MolPort-028-599-900	0.83	C[C@H](CCC(O)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-027-853-716	0.83	CC(CCC(O)C(C)=C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C
MolPort-000-165-424	0.83	C[C@]12C[C@H](O)CC(CO)(CO)C1CCC13CC(CCC21)C(=C)C3
MolPort-039-338-372	0.83	CC1(C)[C@@H]2CCC(=C)[C@@H]3CC[C@](C)(O)[C@H]3[C@H]12
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