Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-7639346141	1	C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
MolPort-035-706-373	1	CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1
MCULE-4986901322	0.95	C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MolPort-035-706-372	0.95	CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1
MCULE-2321781017	0.85	CC1OC(C(CC2CC=CCC2)=O)CC1
MCULE-2591985853	0.85	CC1(C(CC2CC=CCC2)=O)OCCC1
MCULE-1292561691	0.85	CC1C(C(CC2CC=CCC2)=O)OCC1
MCULE-2665777576	0.84	CC1C(C2C=CCCC2)C(=O)CO1
MCULE-2555944797	0.82	CC1C(C2C=CCCCCC2)C(=O)CO1
MCULE-2664519273	0.82	O=C1C(CC2C3C=CC(CC3)C2)COC1
MCULE-7060204243	0.80	CC1C(CCC2CCCCC=2)C(=O)CO1
MCULE-8374344586	0.80	O=C1C(CCC2CCCCC=2)COC1
MCULE-7641008425	0.80	CC1C(CC2CC=CCC2)C(=O)CO1
MCULE-9612148440	0.80	O=C1C(CC2CC=CCC2)COC1
MCULE-4966336591	0.80	C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
MCULE-6649407342	0.80	C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
MCULE-9090867563	0.80	[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
MCULE-2091190347	0.80	OC(C1(OCCC1)CC1CC=CCC1)=O
MCULE-7405954364	0.80	[C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
MCULE-9144922088	0.80	C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
MCULE-5591099284	0.80	[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)[H]
MolPort-003-958-863	0.80	CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-002-525-601	0.80	CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-509-911	0.80	CC(=O)[C@@]12O[C@]1(C)CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-001-512-553	0.80	CC(=O)C12OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-007-980-841	0.80	CC(=O)[C@@]12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@@H]1O2
MolPort-002-506-867	0.80	CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-046-596-330	0.80	CC(=O)[C@@]12CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@@H]1O2
MolPort-002-527-432	0.80	CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-000-707-481	0.80	CC(=O)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MCULE-6360105150	0.79	O=C1C(CC2CCCC=2)COC1
MCULE-4238406785	0.79	CC1C(CC2CCCC=2)C(=O)CO1
MCULE-4854708910	0.79	CC1(C(=O)C(CC2CC=CCC2)CO1)C
MolPort-039-052-567	0.79	C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-002-525-721	0.78	CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
MCULE-7694957039	0.78	O=C1CCC(OCC2CC=CCC2)CC1
MCULE-7563615671	0.78	CC1OC(C(CC2CC=CC2)=O)CC1
MolPort-003-009-842	0.77	CC12OC1C(=O)C1C3CC(C=C3)C1C2=O
MolPort-001-762-287	0.77	O=C1C2OC2C(=O)C2C3CC(C=C3)C12
MolPort-044-755-244	0.77	CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C(C)(C)C)[C@@H]3CC=C2C1
MCULE-6499922066	0.77	C12C(=O)C3C4CC(C=C4)C3C(=O)C1O2
MCULE-1095043105	0.77	C12(C)C(=O)C3C4CC(C=C4)C3C(=O)C1O2
MolPort-046-596-261	0.76	C[C@@H]1CC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-002-510-498	0.76	C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-010-969-194	0.76	CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
MCULE-6657834214	0.76	CC1C(C(CC2CC=CC2)=O)OCC1
MCULE-5107744915	0.76	CC1(C(CC2CC=CC2)=O)OCCC1
MCULE-2660227283	0.76	C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
MCULE-5549232456	0.76	[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
MCULE-4168657248	0.76	[C@H]1(CCC(=O)CCCCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
MCULE-8166977907	0.76	O=C(OCC1CC=CCC1)CC1CCCC1
MCULE-5515322675	0.76	C12(C(CC)=O)C3CC(C=C3)C1C(C1OC12)=O
MolPort-003-850-810	0.76	CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
MolPort-019-990-913	0.76	CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)OC(C)C
MolPort-027-640-939	0.76	CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
MolPort-028-196-343	0.76	O=C(CC1CCCC1)OCC1CCC=CC1
MolPort-003-800-383	0.76	CCC(=O)C12C3OC3C(=O)C1C1CC2C=C1
MolPort-020-005-756	0.75	C[C@]12C[C@H](OC1=O)[C@]1(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]1C2
MolPort-002-509-553	0.75	CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-000-720-153	0.75	CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-002-526-864	0.75	CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-042-644-562	0.75	CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-001-828-137	0.75	CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-035-706-526	0.75	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@]5(C)C[C@H](OC5=O)[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-046-596-327	0.75	CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-506-983	0.75	CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
MCULE-7409296969	0.75	[C@@]12(C(C)=O)O[C@]1(C)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
MCULE-8016431488	0.75	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
MCULE-8460337326	0.75	C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
MCULE-4825273969	0.75	[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
MCULE-3655751389	0.75	[C@]12(O[C@@H]1C[C@@]1([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C)C(=O)C
MCULE-6412555386	0.75	[C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
MCULE-8822838184	0.75	C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
MCULE-4960489764	0.75	C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
MCULE-7217652406	0.75	C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
MCULE-1988011337	0.75	CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
MCULE-1480805765	0.75	CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-3460278496	0.75	C12CCC(C=C1)CC2C(OCC)=O
MCULE-5029800865	0.75	CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
MCULE-9697672273	0.75	CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
MCULE-1316925332	0.75	CC(OC(C1C2C=CC(CC2)C1)=O)C
MolPort-038-386-485	0.75	CC[C@H](C)C(=O)O[C@H]1CCCC2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-046-689-506	0.75	CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-002-510-983	0.74	COC(=O)CC1(C)OC2CCCCC2C2C=CCCC12
MolPort-039-338-712	0.74	C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MolPort-035-706-385	0.74	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
MCULE-9975844805	0.74	O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
MCULE-8772466243	0.74	C1CC23CCOC(=O)C2(CCCC3)CC=1
MCULE-8638278493	0.74	O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
MCULE-7076095662	0.74	O=C(C1CCCC1)OCC1CC=CCC1
MCULE-5393900833	0.74	C(C)(=O)OC1CCC2(C)C3(C4C(OC(C4C4(C5CCC(C(C)C=CC(C)C(C)C)C5(C)CCC42[H])C=C3)=O)=O)C1
MCULE-6875559589	0.74	C1(OC(C)=O)(CCC2C3C(C4CCC(CC4=CC3)C(OC)=O)CCC12)C(=O)COC(C)=O
MCULE-5966997792	0.74	[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
MCULE-4484538949	0.74	C1C[C@]2(C)C3[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)COC(CCC)=O)CCC4C3CCC2=CC1=O
MCULE-4329306127	0.74	C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1)C
MCULE-5307843642	0.74	C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@H](O)C[C@@]2(C)[C@@]3([H])CC[C@]2(O)C(COC(=O)CCC)=O)=CC(=O)C1
MolPort-002-819-159	0.74	COC(=O)C1CCC2C3CCC4C(CCC4(OC(C)=O)C(=O)COC(C)=O)C3CC=C2C1
MolPort-006-127-434	0.74	CC(=C)[C@@H]1C[C@H]2O[C@@]2(C)C(=O)C1
MolPort-045-999-251	0.74	CC(=C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)C1
MolPort-006-118-258	0.74	CCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-046-596-362	0.74	CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
MolPort-006-111-530	0.74	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
MolPort-006-069-223	0.73	CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-035-706-364	0.73	CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
MolPort-039-338-282	0.73	CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
MolPort-002-529-818	0.73	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H]1O[C@@]21C(=O)CO
MolPort-002-508-454	0.73	CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
MolPort-044-559-905	0.73	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@]67CC[C@@H](C)[C@H](C)[C@H]6C6=CCC8[C@@]9(C)CCC(=O)C(C)(C)C9CC[C@@]8(C)[C@]6(C)CC7)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-005-938-238	0.73	CC(C)(C)OC(=O)C1CC2CC1C=C2
MolPort-001-793-877	0.73	CCOC(=O)C1CC2CC1C=C2
MCULE-5246840558	0.73	[C@]12(C(CO)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
MCULE-1065163743	0.73	[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
MCULE-2014291882	0.73	C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
MCULE-9611860953	0.73	C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
MCULE-1853994027	0.73	CC1(C(C2C=CCCC2)(C=O)CCO1)C
MCULE-9946479435	0.73	OC(C1(OCCC1)CC1CC=CC1)=O
MCULE-6020138869	0.73	C1C2CC(CC2C(=O)OC(C)(C)C)C=1
MCULE-4463064740	0.73	C(OCC)(C1CC2CC1C=C2)=O
MCULE-2766753223	0.73	C(=O)(OC(C)C)C1CC2CC1C=C2
MCULE-1794103472	0.73	CC1(C(CC2CC=CC2)=O)OCCCC1
MCULE-4774026424	0.73	O=C(C1OCCCC1)CC1CC=CC1
MCULE-6276076551	0.73	C(OC)(C1CCC2C1(C)CCC1C=2CCC2(O)CC(O)CCC21CO)=O
MCULE-9513148820	0.73	O=C1C=C(CCC2OCCCC2)CCC1
MCULE-9512042267	0.73	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
MCULE-2122796304	0.73	C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
MCULE-9723128082	0.73	C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
MolPort-002-526-754	0.73	CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-810-764	0.73	CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-000-691-653	0.73	CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-762-520	0.73	CC(=O)O[C@]1(CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
MolPort-046-689-953	0.72	CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
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