Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-2411412323	1	C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
MolPort-005-945-866	0.98	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)[C@H](O)Cc2ccc(O)c(O)c2)c1O
MolPort-019-937-432	0.95	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccccc2)c1O
MolPort-019-937-432	0.95	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccccc2)c1O
MolPort-001-741-176	0.95	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccc(O)cc2)c1O
MolPort-005-944-641	0.94	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)C(O)Cc2ccc(O)cc2)c1O
MCULE-1918074338	0.90	C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
MCULE-2705141143	0.90	[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
MCULE-6190365385	0.90	C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-4320729921	0.90	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-2255462467	0.89	C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
MCULE-9341616847	0.88	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-3664047551	0.88	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-9853941800	0.88	CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-5327458615	0.88	CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-2582517969	0.88	C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MCULE-5113003290	0.88	OC(C1CC2CC(CC=C2)C1)=O
MCULE-7147126046	0.88	C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MolPort-001-741-529	0.88	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)c2ccc(O)cc2)c1O
MCULE-4504483614	0.88	C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-5549502379	0.88	C12C3CC(C=C3)C1C2C(O)=O
MCULE-5025931577	0.88	C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-5074709635	0.86	C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
MCULE-6829909415	0.86	C(C(=O)O)C[C@]1(C)C2CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C=2CC[C@@]1([H])C(=C)C
MCULE-2911613762	0.85	[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-2832089707	0.84	C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
MCULE-6935719222	0.83	OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-5702475533	0.83	C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
MCULE-2451101251	0.83	C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-6641232569	0.83	CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-1670830332	0.83	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-4002345426	0.83	C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MCULE-9248944569	0.83	C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
MCULE-4778256781	0.83	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
MCULE-4980717954	0.83	C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-1202438669	0.83	C1C=CCCC(C(O)=O)CC1
MCULE-9038165616	0.83	CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-6957829896	0.82	[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
MCULE-1509278335	0.82	[C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
MCULE-3655330509	0.81	OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-4275950574	0.81	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
MCULE-2313378449	0.81	C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-3141539281	0.81	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-2671029853	0.81	[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-9024921933	0.81	OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-5390747778	0.81	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
MCULE-5059257985	0.81	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)CC=2
MCULE-1190191150	0.80	OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-9848650209	0.80	O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
MCULE-3741444667	0.80	C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
MCULE-2735934269	0.80	OC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-2546809155	0.80	CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-6767000432	0.80	C1CCC(C(O)=O)CCC=1
MCULE-1387376761	0.80	C12CCC(O)C1(C)CCC1=CC(=O)CCC21
MCULE-3959902732	0.80	OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-8005965492	0.80	[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-5225374056	0.80	CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-9449984869	0.80	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-4676598997	0.80	C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
MCULE-9549608104	0.80	C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
MCULE-5624348400	0.80	C1(C(=O)O)CC2C=CC1CC2
MCULE-4841780318	0.80	C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
MolPort-001-741-530	0.80	OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c1c(O)cc(O)c(C(=O)c2ccc(O)cc2)c1O
MolPort-006-668-336	0.80	OC[C@H]1O[C@H]([C@H](OC(=O)c2ccc(O)cc2)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)c2ccc(O)cc2)c1O
MCULE-8629297693	0.79	C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
MCULE-9672606479	0.79	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
MCULE-7491068561	0.79	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-5967042891	0.79	[C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
MCULE-1144217583	0.79	C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-4269813571	0.79	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-6089018925	0.79	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-5277306782	0.79	O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
MCULE-5384515579	0.79	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
MCULE-1049317957	0.79	[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-8056155072	0.79	C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-2847349308	0.79	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
MCULE-2538866374	0.79	C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
MCULE-9526433855	0.79	[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-2615091969	0.79	O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-1283574747	0.79	C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
MCULE-3629918410	0.79	O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
MCULE-9966885116	0.79	[C@@H]1(O)CC2(C3CC=C4C5C(C)C(=C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)[C@H]1O)C
MCULE-6728895797	0.79	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
MCULE-1547137893	0.79	C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
MCULE-4006235073	0.79	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
MolPort-006-668-668	0.79	OCC1OC(C(O)C(O)C1O)c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
MCULE-7829183730	0.79	O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MolPort-001-741-374	0.79	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1
MCULE-1528374574	0.78	OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-1857694923	0.78	[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
MCULE-2506870963	0.78	C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
MCULE-4737898468	0.78	[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
MCULE-7417377682	0.78	OC(C1(CC1)CC1CC=CCC1)=O
MCULE-5859140606	0.78	CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-6438933973	0.78	CC(C(CC1CC=CCC1)=O)(O)C
MCULE-5677861178	0.78	[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
MCULE-2170508823	0.78	C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-9341959688	0.78	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
MCULE-8031195256	0.78	[C@]12(C(=C[C@@H](O)CC1)[C@@H](C[C@@]1([C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)C)[H])O)C
MCULE-7270634760	0.78	OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-1877150050	0.78	C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
MCULE-3023348221	0.78	C1(C)(CC2CC1C=C2)C(O)=O
MCULE-2570487264	0.78	OC(C1C2C=CC(C2)C1)=O
MolPort-044-181-096	0.77	Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4OC(CO)[C@@H](O)C(O)C4O)c(O)c3C(=O)c12
MolPort-006-823-907	0.77	Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12
MolPort-044-181-096	0.77	Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4OC(CO)[C@@H](O)C(O)C4O)c(O)c3C(=O)c12
MolPort-044-175-470	0.77	Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]4O)c(O)c3C(=O)c12
MolPort-044-175-470	0.77	Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]4O)c(O)c3C(=O)c12
MCULE-3046418352	0.77	CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-2810354958	0.77	C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-7592205580	0.77	C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-9840181952	0.77	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-1505073195	0.77	C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
MCULE-1990275167	0.77	C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-7761893081	0.77	C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-9914820446	0.77	C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-8054022250	0.77	C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-8721567365	0.77	[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
MCULE-3841271177	0.77	C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-9131674305	0.77	O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
MCULE-7594353501	0.77	C1C[C@@]2(C)C3=CC[C@@]4(O)C(=C)C(=O)[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-1657159254	0.77	[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
MCULE-2653535248	0.77	C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MCULE-7998597001	0.77	C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
MCULE-7712069033	0.77	C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MCULE-8928261768	0.77	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-9209606443	0.77	C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-7400696054	0.77	C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
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