Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-035-776-725	1	CCCC[C@H](CC)C(O)=O
MCULE-4048515589	1	C(CCCCCCCCC(CCCCCC(O)=O)=O)(O)=O
MolPort-028-747-874	1	CCCCCCCCC(O)CCCCCCCCC(O)=O
MCULE-5299092348	1	C(=O)(C)CCCCCCCC(=O)O
MolPort-042-684-158	1	CC(CCC(C)=O)CC(O)=O
MCULE-9603867941	1	C(CCCCC(=O)O)CCCCCCCCCO
MolPort-039-138-698	1	N.N.OC(=O)CCCCCCCCCCC(O)=O
MCULE-5185634901	1	O=C(C(C(CC(C)(C)C)C)CCC(CC(C)(C)C)C)O
MolPort-042-683-484	1	CC(CCC(O)=O)CC(C)=O
MCULE-3085282351	1	C(O)([C@@H](CCCCCC)CCC)=O
MolPort-035-776-724	1	CCCC[C@@H](CC)C(O)=O
MCULE-4793937131	1	C(C)(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
MolPort-039-337-781	1	CC(CCC(C(C)CC(C)(C)C)C(O)=O)CC(C)(C)C
MCULE-9929666632	1	C(C)(C(CCCCCC(=O)O)=O)(C)C
MolPort-042-682-633	1	CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O
MCULE-3935675049	1	C(C)(C(=O)CCCCCCC(=O)O)(C)C
MolPort-046-691-394	1	[2H]C([2H])(CCCCCCCCCCCCC)C([2H])([2H])CCCCCCCCCCC(O)=O
MCULE-8562449211	1	CCCC(CC(O)=O)CCC
MolPort-046-691-438	1	[2H]C([2H])(CCCC([2H])([2H])C(O)=O)C(O)=O
MCULE-4488400468	1	CC(=O)CCCCCC(=O)O
MolPort-046-692-221	1	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(O)=O
MCULE-4716241218	1	CCC(C(O)=O)(CCC(C)C)C
MolPort-046-196-397	1	CCCCCC[C@H](CCC)C(O)=O
MCULE-5601308035	1	C(CCCCCCCCCCCCCCCO)(O)=O
MolPort-020-168-302	1	CCCCCC(C)CC(O)=O
MCULE-4736597375	1	CCCCCCCCC(O)=O
MolPort-042-663-534	1	CCCCC(CCCCCC(O)=O)C(O)=O
MCULE-3831811055	1	CCCCCC(C(=O)O)C
MCULE-2748338407	1	CCCCC(CCC(=O)O)CC
MCULE-2795129925	1	CCCCCCCCCCCC(O)=O
MCULE-5497849862	1	C(C(=O)O)(CCCCCC)CCCCCC
MCULE-4060617838	1	C(O)(CCC(C)CCCC(C)C)=O
MCULE-5703679612	1	C(CCCCCC)C(C)(C)C(=O)O
MCULE-3088988040	1	C(O)(C(C)CCCCCCCCCCCC)=O
MCULE-8192564811	1	C(CCCCCCCCCCCC(O)=O)(O)=O
MCULE-1531878545	1	CCCCCC(O)CCCCCC(O)=O
MCULE-1489137568	1	C(CCCCCC)(O)=O
MCULE-8051469418	1	C(CCCCCCCCCCC(CCC)C(C)=O)(O)=O
MCULE-7886858957	1	C(C)(C(CCCCCCC(=O)O)=O)C
MCULE-1071013190	1	CCCCCCCCC(CC(O)=O)C
MCULE-2753582455	1	C(O)(C)CCCCCCCC(=O)O
MCULE-3942492343	1	C(C(CCCCCC(=O)O)=O)(C)C
MCULE-4787616333	1	C(CCCCCCCCCCC(CCCC)O)(O)=O
MCULE-6422981718	1	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-8172997568	1	C(C)(C)C(CCCCC(=O)O)=O
MCULE-2945357825	1	C(CCCCCCCCCCCC(CCCCCCC(CCCCCCCCCCCC(O)=O)=O)=O)(O)=O
MCULE-9581263473	1	C(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCC
MCULE-4790339661	1	C(O)(=O)CC[C@@H](C)CCCC
MCULE-3254150931	1	C(O)(C(C)CCCCCCCCCCCCC)=O
MCULE-2454273176	1	C(O)(CCC(C)CCCC)=O
MCULE-1517131616	1	O=C(C(CCCCCC(=O)O)CCCC)O
MCULE-3157606515	1	C(CCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCC(=O)O
MCULE-7861617656	1	C(O)(C(CCCCCCC)CCCC(O)=O)=O
MCULE-6934503036	1	CC(CCCCCC(O)=O)C
MCULE-2717280848	1	C(O)(=O)C(C)(C)CCCC(C)(C)C(O)=O
MCULE-5437143540	1	C(O)(C(CCCCCCCCCCC(O)=O)CC)=O
MCULE-4312256740	1	C(O)(C(CCCCCCCC)CCCCCCCCCCC(O)=O)=O
MCULE-9255156956	1	C(O)(C(C)CCCCCCCCCC)=O
MCULE-8259958688	1	C(C)(C)CCCCCCCCCC(=O)O
MCULE-6272236651	1	C(CCCCCCCCCC(=O)O)[C@H](C)CC
MCULE-4093240509	1	C(CCCCCCCC(O)=O)(O)=O
MCULE-3515775261	1	C(O)(C(CCCCC)CC)=O
MolPort-026-972-191	1	CC(C1CCCCCCC1)C(O)=O
MCULE-8780750351	1	C(CCCCCCCCCCCCCCCCCCCCCCCO)(=O)O
MolPort-003-910-345	1	CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-6642298773	1	C(CCCCCCCC(O)=O)CCCCCCCCCCCCCCCCC
MolPort-003-935-064	1	CCCC[13CH2][13CH2][13CH2][13C](O)=O
MCULE-6664640382	1	CCCCCCC(C(O)=O)C
MolPort-003-934-553	1	[2H]C([2H])([2H])CCCCCCCCCCC(O)=O
MCULE-1735950995	1	C(CCCCCCCCCCCC(CCCCCCCCCCC(CCCCCCCCCCCCCCCC)O)=O)(O)=O
MolPort-003-933-841	1	CCCCCCCCC(CCCCCC)C(O)=O
MCULE-7016988868	1	CC(C(C)=O)CCCCC(O)=O
MolPort-003-933-167	1	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
MCULE-1512003484	1	C(=O)(O)CCCCCCCCCCCCCCC(O)=O
MolPort-003-803-875	1	CC(CCCCCC(C)C(O)=O)C(O)=O
MCULE-6960063747	1	C(CCCC)C(=O)CCCCCCC(=O)O
MolPort-003-803-876	1	CC(CCCCCCC(C)C(O)=O)C(O)=O
MCULE-3914949169	1	CCCCCCCCCC(O)=O
MolPort-003-803-877	1	CC(CCCCCCCCC(C)C(O)=O)C(O)=O
MCULE-3463709825	1	C(CCCC)C(=O)CCCCCC(=O)O
MolPort-003-803-878	1	CC(CCCCCCCCCCC(C)C(O)=O)C(O)=O
MCULE-3378566421	1	C(O)(C(CCCCCCCC)CCCCCCCC)=O
MolPort-003-850-286	1	CCCCCCCCCCCCCCCCC[13C](O)=O
MCULE-1839591073	1	C(CCCCCCCO)(O)=O
MolPort-002-915-642	1	OC(=O)CCC1CCCCCCCCCCC1
MCULE-9827668199	1	C(CCCC)C(CCCCC(=O)O)=O
MolPort-003-895-996	1	CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-9203558568	1	C(CCC)C(=O)CCCCCCC(=O)O
MolPort-003-901-043	1	CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-1743910978	1	C(CCCCC(CCCCCCCCCCCC)O)(O)=O
MolPort-002-894-357	1	CC(C)(CCCCC(C)(C)C(O)=O)C(O)=O
MCULE-5127577640	1	C(CCCCCCCCCCCCCCCCC)(O)=O
MolPort-001-792-721	1	CC(C)(C)CCCCCC(O)=O
MCULE-7182880008	1	C(CCC)C(CCCCCC(=O)O)=O
MolPort-002-894-356	1	CC(C)(C)CCCCCCCCCCCC(O)=O
MCULE-1752034684	1	C(CCCCCCCCCCCCCCCCCCCCC)(O)=O
MolPort-001-792-028	1	CCCCCCCCCCCCCCC(O)=O
MCULE-4067913342	1	C(=O)(O)C(CCCCC)CCCCC
MolPort-003-912-186	1	CCCCCCCCCCCCCCCCC(C)C(O)=O
MCULE-6207970958	1	C(C(CCCCC(=O)O)=O)CCC
MolPort-003-920-967	1	CCCCCCC(C)CC(O)=O
MCULE-9122814153	1	CCCCCCC(C(O)=O)(CCC)C
MolPort-003-921-355	1	CC(O)CCCCCCCC(O)=O
MCULE-7480769244	1	CCCCCCC(C(O)=O)(CC)CC
MolPort-003-926-154	1	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-4185159932	1	C(O)(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(O)=O
MolPort-003-927-214	1	OCCCCCCCCCCCCCCCC(O)=O
MCULE-5900954615	1	C(CCCCC(CCCCC(C)=O)=O)(O)=O
MolPort-002-534-221	1	CCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-6377253083	1	CCCCCCC(C(O)=O)CC
MolPort-003-928-016	1	CCCCCCC(O)CCCCCCCCCCC(O)=O
MCULE-6036635794	1	C(O)(=O)C(C(C)C)CCC(C)C(O)=O
MolPort-003-929-466	1	CCCCCCC[13C](O)=O
MCULE-6390414263	1	CC(CCCCCCC(O)=O)=O
MolPort-003-929-716	1	OC(=O)CCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-5322388227	1	C(C(=O)O)(CCCC)CCCCCC
MolPort-003-930-428	1	N.OC(=O)CCCCCCCCCCC(O)=O
MCULE-6121514710	1	C(O)(=O)CCCCCCCCO
MolPort-001-792-057	1	CCCCCCCC(O)=O
MCULE-7655272143	1	C(CC)C(CCCCCCC(=O)O)=O
MolPort-001-794-385	1	CCCCC(CC)C(O)=O
MCULE-9552597130	1	CC(CCCCC(=O)O)C
MolPort-000-156-417	1	OCCCCCCCCCCC(O)=O
MCULE-2592304646	1	C(C(CCCCCC(=O)O)=O)CC
MolPort-002-501-684	1	CCCCCC(CCCCC)C(O)=O
MCULE-7728669545	1	CCCCCC(C(O)=O)(C)C
MolPort-018-567-856	1	CCCCCCCCCCCC(=O)CCCCCC(O)=O
MCULE-4777686649	1	CCCCCCC(CC(O)=O)C
MolPort-000-157-367	1	CCCCC(C)CCC(O)=O
MCULE-2529831580	1	C(C)(C)(C)CCCCCCCCCCCC(=O)O
MolPort-000-156-366	1	OCCCCCCCC(O)=O
MCULE-8623857142	1	C(CC)C(CCCCC(=O)O)=O
MolPort-000-154-854	1	CCCCCCCC(C)(C)C(O)=O
MCULE-9965131742	1	C(CCCCCCCCCCC(CCCCCC)O)(O)=O
MolPort-000-157-221	1	CCCCCC(C)C(O)=O
MCULE-7307915460	1	C(O)(CCC(C)CC(C)(C)C)=O
MolPort-003-802-306	1	CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(O)=O
MCULE-6923368995	1	CC1(C(O)=O)CCCCCCC1
MolPort-013-430-420	1	CCCCCC(C)(CC)C(O)=O
MCULE-1976551743	1	C(CCCCCC)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
MolPort-003-935-581	1	CCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-8555526333	1	C(CCCCCC(O)=O)(CCCCCCCCCCCCCCCCC)=O
MolPort-003-935-603	1	CCCCCCCCCCCCCCCCC(O)=O
MCULE-3460494679	1	C(CCCCCCCCC(O)=O)(O)=O
MolPort-003-937-692	1	[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O
MCULE-2888473872	1	C(CCCCCCCCCCCCCCCCCCC)(O)=O
MolPort-003-939-501	1	CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-6954381114	1	C(CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(O)=O)(O)=O
MolPort-003-939-689	1	CCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-5539838856	1	C(C(CC(=O)O)C)CCCCCCCCCCCCCC
MolPort-003-958-795	1	CC(C)CCCCCCCCCCCCCCC(O)=O
MCULE-5110587542	1	C(CCCCCCCCCC)(O)=O
MolPort-001-794-434	1	CC(=O)CCCCCC(O)=O
MCULE-3771681317	1	C(O)(=O)CCCCCCCCCO
MolPort-002-497-880	1	OCCCCCCC(O)=O
MCULE-9106518461	1	C(CCCCC(O)=O)(CCCCCCCCCCCCCCCCC)=O
MolPort-003-958-813	1	CC(C)CCCCCCCCCCCCC(O)=O
MCULE-2198601753	1	CCCCCCCCCC(CC(=O)O)C
MolPort-002-487-293	1	CCCCCCCCCCC(C)(C)C(O)=O
MCULE-9357391090	1	C(CCCCCCCCCCCCCCCC)(O)=O
MolPort-003-958-957	1	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-5435336580	1	C(CCCC)(C(=O)O)CCCC
MolPort-003-960-141	1	CCCCCC(C)CCC(O)=O
MCULE-5193957469	1	CCCCCCCC(O)=O
MolPort-002-485-414	1	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-6888441916	1	C(CCCCCCCCCCCCCCCCCCCCCC)(O)=O
MolPort-003-960-176	1	CCCCC(CC)CCC(O)=O
MCULE-9081502044	1	C(CCCCC(CCCCCCCCCC)=O)(O)=O
MolPort-002-344-013	1	CC(C)CCCCC(O)=O
MCULE-3207729356	1	C(=O)(C)CCCCCCCCC(=O)O
MolPort-003-990-752	1	OCCCCCCCCC(O)=O
MCULE-3945412548	1	CCCCCC(C(O)=O)C(C)C
MolPort-002-317-291	1	CCCCCCCCCCCCCCCCCC(O)=O
MCULE-6776936355	1	C(CCCCCCCCCCCO)(O)=O
MolPort-004-948-084	1	CCCCCCCCCCCCCC(C)C(O)=O
MCULE-5820446421	1	C(C)(C)CCCCCCCC(=O)O
MolPort-004-963-595	1	CC(C)(CCCC(C)(C)C(O)=O)C(O)=O
MCULE-3886990507	1	C(CCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCC
MolPort-002-509-406	1	CCCC(C)CCCCCC(O)=O
MCULE-3907306935	1	C(O)(=O)C(CCC)CCCCC(O)=O
MolPort-003-931-064	1	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
MCULE-3550915515	1	C(C(C(=O)O)CCCC)CCCCCCCCCCCCCCC
MolPort-003-920-965	1	CCCCCCCCC(C)CC(O)=O
MCULE-5276664308	1	C(C(C(=O)O)CCC)CCCCCCCCCCCCCCC
MolPort-006-124-552	1	CCCCCCC(CC)C(O)=O
MCULE-1430959106	1	CCCCCCCCCCCCC(=O)O
MolPort-006-115-210	1	CCCCCC(CC)C(O)=O
MCULE-8431505935	1	CCCCCCCCC(CCCCCCCCC(=O)O)O
MolPort-001-787-766	1	OC(=O)CCCCCCCCCCCC(O)=O
MCULE-4637509445	1	C(=O)(CCCCCCCCCCC)CCCCCCCCCCCC(=O)O
MolPort-001-787-731	1	OC(=O)CCCCCCCCCCCCC(O)=O
MCULE-7546735332	1	CCCCCCCCCCCC(=O)CCCCCC(=O)O
MolPort-006-117-131	1	CC(C)CCCC(C)CC(O)=O
MCULE-3397559485	1	C(C(=O)O)(CCCCCC)CCCCCCCC
MolPort-001-787-590	1	CC(=O)CCCCCCCCC(O)=O
MCULE-9180879585	1	C(CCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC(O)=O)=O)=O)(O)=O
MolPort-006-120-481	1	CCCCCCCCCC(C)CC(O)=O
MCULE-3587613382	1	OC(CCCCCCCCCC(=O)O)=O
MolPort-001-783-903	1	OC(=O)CCCCCCCCCCCCCCCCC(O)=O
MCULE-2797848894	1	C1(CCCCCCCCCCC1)CCC(=O)O
MolPort-001-783-887	1	OC(=O)CCCCCCCCCCC(O)=O
MCULE-6534484335	1	C(C(C(=O)O)CC)CCCCCCCCCCCCCCC
MolPort-001-783-882	1	OC(=O)CCCCCCCC=O
MCULE-6010456842	1	OC(CCCCCCCCCCCCCCCC(=O)O)=O
MolPort-001-783-819	1	OC(=O)CCCCCCCCC(O)=O
MCULE-3210783287	1	CCCCCCCCCCCCC(C(=O)O)(C)C
MolPort-006-124-305	1	CCCCCCCCC(C)C(O)=O
MCULE-9671122893	1	CCCCCCCCCCCCCC(=O)O
MolPort-001-790-486	1	CC(C)(C)CCCCC(O)=O
MCULE-6374843300	1	C(O)(C1CCCCCCCCCC1)=O
MolPort-006-125-212	1	CCCCCCCCCCCCCCC(C)C(O)=O
MCULE-7572073631	1	C(O)(=O)C(CC)(CC)CCCC
MolPort-014-156-929	1	CCCCC(CC)CC(O)=O
MCULE-4806310815	1	CCCCCCCCCCCCCCCCCCC(C)C(=O)O
MolPort-001-781-906	1	OC(=O)CCCCCCCCCC(O)=O
MCULE-6216368990	1	CC(CCCCC(=O)O)=O
MolPort-001-780-241	1	CCCCCCCCCCCCCCCC(O)=O
MCULE-6337534436	1	OC(CCCCCCCCCCCCCCCCCC(=O)O)=O
MolPort-006-149-173	1	CC(C)CCCCCC(O)=O
MCULE-2098828387	1	C(CCCCCCCCCCCCCCCCC(O)=O)(O)=O
MolPort-001-780-112	1	CCCCCCCCCCCCCCCCCCC(O)=O
MCULE-3630464562	1	C(CCCCCCCCCCCCCC)(O)=O
MolPort-001-780-107	1	CC(=O)CCCCCCCC(O)=O
MCULE-1306261101	1	CC(CCCCCC(=O)O)(C)C
MolPort-001-780-047	1	CCCCCCCCCCCCC(O)=O
MCULE-8634297667	1	OC(=O)CCCCCCCCCCCCCC(=O)O
MolPort-001-780-041	1	CCCCCCC(O)=O
MCULE-2066533125	1	CCCCCC(CC(O)=O)C
MolPort-006-170-075	1	CCCCCC[C@@H](CCC)C(O)=O
MCULE-3703948906	1	C(O)(CCC(C)CCCCC)=O
MolPort-001-779-873	1	OC(=O)CCCCCCCC(O)=O
MCULE-5909088545	1	CCCCCC(C(O)=O)(CC)C
MolPort-001-779-744	1	CCCCCCCCCCCCCC(O)=O
MCULE-4708388805	1	C(CCCCC(CCCCCCCCCCCO)=O)(O)=O
MolPort-006-125-155	1	CCC(C)(CCC(C)C)C(O)=O
MCULE-3086618486	1	C(CCCCCCCCCCCO)C(=O)O
MolPort-006-022-397	1	CCCC(CCC)CC(O)=O
MCULE-2401625440	1	C(CCCCCCCCCCCCC(C)C)(O)=O
MolPort-001-770-014	1	OC(=O)CCCCCC(O)=O
MCULE-6787345030	1	OCCCCCCCCCCCCCCCCC(=O)O
MolPort-001-768-891	1	CC(=O)CCCCC(O)=O
MCULE-4147611614	1	C(=O)(O)CCCCCCCCCCCCC(=O)O
MolPort-001-760-787	1	OCCCCCCCCCCCCCCC(O)=O
MCULE-8232897652	1	C(CCCCCCCCCCO)(O)=O
MolPort-001-760-610	1	OCCCCCCCCCC(O)=O
MCULE-2388869238	1	C(CCCCCCCCCCCCCO)(O)=O
MolPort-001-792-027	1	OCCCCCCCCCCCC(O)=O
MCULE-9215293129	1	C(O)(C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)=O
MolPort-006-114-873	1	CCCCCCC(C)C(O)=O
MCULE-8069276044	1	C(=O)(O)CCCCCCCCCCCCCCCCCCCCC(=O)O
MolPort-009-018-854	1	CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
MCULE-9724986024	1	C(O)(=O)C(C)CC(CCCCCCCCCCC)CCCCCCCCCCCCC
MolPort-001-759-311	1	OC(=O)CCCCCCC(O)=O
MCULE-5870660535	1	C(CCCCCCCCCCC(CCCCC(O)=O)=O)(O)=O
MolPort-009-199-301	1	OC(=O)CCCCCCCCCCCCCC(O)=O
MCULE-1513008382	1	C(CCCCCCCCCCCCCC(=O)O)CCCCC(=O)O
MolPort-009-756-493	1	OC(=O)CCCCCCCCCCCCCCCCCCC(O)=O
MCULE-6672401492	1	C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)(O)=O
MolPort-001-740-735	1	OC(=O)CCCCCCCCCCCCCCC(O)=O
MCULE-8934614150	1	C(O)(C(C)CCCCCCCCCCC(C)C(O)=O)=O
MolPort-001-740-038	1	CC(C)CCCCCCCCCCC(O)=O
MCULE-5686478683	1	C(CCC)C(CC)C(=O)O
MolPort-001-011-599	1	OCCCCCCCCCCCCCCCCC(O)=O
MCULE-1380155289	1	C(CCCCCCC(O)=O)(O)=O
MolPort-000-881-873	1	CCCCCCCCC(=O)CCCCCCCCC(O)=O
MCULE-8286567269	1	CC(CCCCC(=O)O)(C)C
MolPort-000-881-524	1	CCCCCCCCCCCC(O)=O
MCULE-6938770128	1	C(CCCCCC(CCCCCCCCC(CCCCCC(O)=O)=O)=O)(O)=O
MolPort-000-881-523	1	CCCCCCCCCC(O)=O
MCULE-9618389016	1	C(CCCCCC(O)=O)(O)=O
MolPort-000-881-522	1	CCCCCCCCC(O)=O
MCULE-9710516271	1	C(CCCCCCCCCCCCCCCCCCCCCCC)(O)=O
MolPort-000-881-069	1	CCCCCCCCCCC(O)=O
MCULE-8357312899	1	C(O)(C(C)CCCCCCCCC(C)C(O)=O)=O
MolPort-011-783-872	1	CCCCCCCCCCCCC(C)(C)C(O)=O
MCULE-5055484783	1	C(CCCCCCC)C(C)C(=O)O
MolPort-012-193-964	1	CCCCC(CCC)C(O)=O
MCULE-3769146629	1	C(CCCCCCCCCCCC(CCCCCCCCCCCCCCC)=O)(O)=O
MolPort-012-193-967	1	CCCCCC(CCC)C(O)=O
MCULE-1361949901	1	C(CCCCCCCCCCCCCCC)(O)=O
MolPort-012-194-007	1	CCCCC(C(C)C)C(O)=O
MCULE-7115259280	1	C(C)(C)CCCCCCCCCCC(O)=O
MolPort-012-194-012	1	CCCCCC(C(C)C)C(O)=O
MCULE-4062514314	1	CCCCCC(O)CCCCCCCC(O)=O
MolPort-000-715-762	1	CCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-7197861669	1	C(O)(C(C)CCCCCCC(C)C(O)=O)=O
MolPort-013-429-760	1	CCCCCC(C)(C)C(O)=O
MCULE-1212714477	1	C(O)(C(C)CCCCCC(C)C(O)=O)=O
MolPort-013-430-154	1	CCCCCCC(C)(CCC)C(O)=O
MCULE-1366505263	1	CCCCCCC(C(O)=O)(CC)C
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MolPort-002-857-412	0.95	CCCCCC1CCC(CC(O)=O)CC1
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MCULE-3221739644	0.95	C(O)(CCC1CCCCCC1)=O
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MolPort-028-949-905	0.95	CC(=O)[C@@H]1C[C@H](CC(O)=O)C1(C)C
MCULE-8509527472	0.95	OC(CCC1CC(=O)C1)=O
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MolPort-046-650-313	0.95	C[C@H](C(C1CC1)C1CC1)C(O)=O
MCULE-3584192725	0.95	CC1(C(O)=O)CCCCCC1
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MolPort-046-650-987	0.95	C[C@H](CC1CC1(C)C)C(O)=O
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MCULE-1709216331	0.95	CC1CC(C(O)=O)CCC1
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MCULE-2203052145	0.95	C1(C(O)=O)C(C)C(C1)CCCC
MolPort-001-817-370	0.95	CC12CC3(C)CC(C)(C1)CC(CC(O)=O)(C2)C3
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MCULE-8010746516	0.95	OC(CC1C2CC3CC1CC(C3)C2)=O
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MCULE-7328521882	0.83	C1(CC(=O)O)(CC(=O)O)CCCCCC1
MolPort-001-739-570	0.83	CCCCCC(O)CC(O)CC(O)=O
MCULE-2418790366	0.83	CC1CC(C(O)=O)(C2C(O)CCCC2)C1
MolPort-003-927-875	0.83	CC1(C)[C@H](CC[C@@]1(C)C(O)=O)C(O)=O
MCULE-4946417204	0.83	C1(CC(O)=O)(C(O)=O)CCC(C)(C)C1
MolPort-000-652-917	0.83	OC(=O)C1CCCCC1C(O)=O
MCULE-9459049733	0.83	C(O)(=O)CC1(C(O)=O)CCCC(C)(C)C1
MolPort-008-421-244	0.83	OC(=O)C1CC2CC1C(=O)C2
MCULE-6618953955	0.83	[Na+].C12(C)CCC3(C([H])(C(O)CC4([H])CC(O)CCC34C)C1([H])CCC2([H])C(C)CCC([O-])=O)[H]
MolPort-000-653-410	0.83	OC(=O)C12CC3CC(C1)CC(C3)(C2)C(O)=O
MCULE-2839833978	0.83	OC(C12CC(CC1=O)CC2)=O
MolPort-001-917-465	0.83	OC(=O)C12CCCC(CCC1)(C2)C(O)=O
MCULE-3306746591	0.83	OC([C@@H]1C[C@H](C(O)=O)CCC1)=O
MolPort-002-800-594	0.83	CC(C)(C)C1CC(CC(C1)C(O)=O)C(O)=O
MCULE-2210992451	0.83	CC1(C(O)=O)CC(C(O)=O)CCC1
MolPort-008-420-860	0.83	OC(=O)C1(CC2(CC(=O)C2)C1)C(O)=O
MCULE-5571258641	0.83	C(C(CC(O)CCCCC)O)C(=O)O
MolPort-002-536-910	0.83	CC1(CC11CC1(C)C(O)=O)C(O)=O
MCULE-5672767343	0.83	[Na+].C[C@@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C[C@H]3O)[H])([H])CC1)CCC(=O)[O-]
MolPort-002-253-622	0.83	CCC12CC3CC(C1)(CC(C3)(C2)C(O)=O)C(O)=O
MCULE-9442455281	0.83	[C@H]1(C(O)=O)CCC[C@H](C(O)=O)C1
MolPort-006-666-456	0.83	OC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](C3)(C1)C(O)=O)C2
MCULE-2898188373	0.83	O=C(O)[C@@H]1CCC[C@@H]1C(=O)O
MolPort-002-585-378	0.83	OC(=O)C12CC3CC(C1)(CC(C3)(C2)C(O)=O)C(O)=O
MCULE-3098351650	0.83	[C@]12(C)CCC3C(CCC(=O)[C@]3(C)CCC(O)=O)C1CCC2[C@H](C)CCCC(C)C
MolPort-003-927-879	0.83	CC1(C)[C@@H](CC[C@]1(C)C(O)=O)C(O)=O
MCULE-9974933236	0.83	C1(CCCCC1=O)C(=O)CCC(=O)O
MolPort-039-142-137	0.83	O.[Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-7528897218	0.83	OC(C1(CCC1)CC1CC2C(C2)C1)=O
MolPort-046-693-568	0.83	CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2C(O)=O
MCULE-2274617868	0.83	C12(CCC(C(C)(C)C1C=O)C2)C(O)=O
MolPort-039-241-067	0.83	[Na+].OC1(CCC([O-])=O)CCC1
MCULE-4214835076	0.83	C1(C)(CCC(C(O)=O)C1(C)C)C(O)=O
MolPort-022-004-525	0.83	OC(=O)C1CC2CCCCC(C1)C2=O
MCULE-2066407045	0.83	[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@]1(CCCCC1=O)C
MolPort-022-148-225	0.83	OC1CC2(CC2C(O)=O)C1
MCULE-4011811531	0.83	C1(CCCCC1)(C(O)=O)C(O)=O
MolPort-028-777-299	0.83	CC1CC(C(C1)C(O)=O)C(O)=O
MCULE-9506589203	0.83	[C@H]1(CCCC[C@@H]1C(O)=O)C(O)=O
MolPort-028-916-661	0.83	CCCC1CC(C1)(C(O)=O)C(O)=O
MCULE-8399847709	0.83	[C@@]1(C)(CC[C@H](C(O)=O)C1(C)C)C(O)=O
MolPort-044-724-066	0.83	[Na+].CC(CCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
MCULE-9601771232	0.83	C12CC(CC1C(O)=O)CC2=O
MolPort-035-385-911	0.83	OC(=O)C1C2C3CC4C5CC(C2C35)C14
MCULE-9235794463	0.83	C1(C)(C)C(C)(CCC1(C)C(O)=O)C(O)=O
MolPort-046-156-286	0.83	[Na+].[O-]C(=O)C1CCCCC1=O
MCULE-3996975707	0.83	CC(C(O)=O)(C1C2(CCCC2)CC1)O
MolPort-039-241-472	0.83	OC(=O)C1C[C@@H]2C[C@H]1C(=O)C2
MCULE-4253750674	0.83	O=C1CC2(C)C(CCC2C2CCC3CC(O)CCC3(C)C12)C(O)=O
MolPort-026-972-192	0.83	OC(=O)C1(O)CC2CCC1C2
MCULE-5053577261	0.83	C12(C)CCC(C(C(O)=O)C1O)C2(C)C
MolPort-023-213-432	0.83	OC(=O)[C@H]1CCC[C@H](C1)C(O)=O
MCULE-6451936436	0.83	C1C(C(O)=O)C(C(O)=O)CCC1CCCC(C)C
MolPort-029-701-927	0.83	OCC12CCC(CC1)(C2)C(O)=O
MCULE-7283682823	0.83	C12(CC(CC1)CC2O)C(O)=O
MolPort-044-729-708	0.83	OC(=O)[C@@H]1[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1
MCULE-5010456389	0.83	OC(CC1(C2(CCCCC2)CC1)O)=O
MolPort-024-582-420	0.83	OC(=O)C1CC(O)(C1)C1CCCCC1
MCULE-9430716320	0.83	[Na+].C1(=O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C(=O)C1)(C)[C@@H]([C@H](C)CCC([O-])=O)CC3)C(=O)C2
MolPort-029-659-558	0.83	OC(=O)[C@@H]1CCC[C@H](C1)C(O)=O
MCULE-5558936340	0.83	C1(C(=O)O)(CC(=O)O)CCCC1
MolPort-044-198-444	0.83	OC(=O)C1CC2CC1C1CC21
MCULE-4368075445	0.83	C(O)(=O)C.C(O)(=O)C.OC1C2(C)C(C(CC(O)=O)C(C3(C)CCC(O)CC3=O)CC2)CC1
MolPort-039-052-504	0.83	C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3)C(O)=O
MCULE-4564542009	0.83	OC1C2(C)C(C(CC(O)=O)C(C3(C)CCC(O)CC3=O)CC2)CC1
MolPort-046-700-840	0.83	O[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(O)=O
MCULE-7456688560	0.83	C1(C)(C)C(C)C(CC1C(O)=O)C(O)=O
MolPort-021-804-732	0.83	CC12CC34CC1C2CC3C1(C)CCCC(C)(C1CC4)C(O)=O
MCULE-7196171464	0.83	OC(C1CC(C(O)=O)CCC1)=O
MolPort-000-279-452	0.83	CC1(C)C(CCC1(C)C(O)=O)C(O)=O
MCULE-7536148049	0.83	[C@@]12([H])C(=O)C[C@]3([H])CC(CC[C@]3(C)[C@@]1([H])CC(=O)[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC([O-])=O)=O.[Na+]
MolPort-046-419-734	0.83	[Na+].OCC1(CC([O-])=O)CCCCC1
MCULE-4412989829	0.83	C12(CC3CC(CC)(CC(C3)(C(O)=O)C1)C2)C(O)=O
MolPort-020-014-518	0.83	CC1(C)[C@@H]2CC[C@@]1(C(O)=O)C(=O)C2
MCULE-7315583038	0.83	OC(C1(CCC1)CC1CC2C(C2)CC1)=O
MolPort-046-147-802	0.83	[Na+].OCC1(CC([O-])=O)CCCC1
MCULE-1326875363	0.83	C1CC2(C(C(C(O)=O)(C)C1)CCC13C2CCC(C(O)(CO)C1)C3)C
MCULE-4815351354	0.82	[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
MCULE-2942441696	0.82	[H]C12CC(O)CCC1(C)C1CCC3(C)CC(O)CC3C1CC2=O
MCULE-3249043153	0.82	[H]C12CC(O)CCC1(C)C1CCC3(C)CC(O)CC3C1C(C2)=O
MCULE-3513138919	0.82	O=C1CCC2(C)C3CC(O)C4(C)C(CCC4C3CCC2C1)C(C)=O
MCULE-6308143690	0.82	CC1(C(C2(C=O)CCCC2)CCCC1)O
MCULE-9546669272	0.82	C[C@@]1([C@H](C2(C=O)CCC2)CCCC1)O
MCULE-4288241316	0.82	CC(CC1(C(O)=O)CC(C)C1)O
MCULE-4180377229	0.82	C[C@@]1([C@H](C2(C=O)CC2)CCCC1)O
MCULE-2235494953	0.82	C12(CCCC(C1)CC(=O)C2)O
MCULE-4493343687	0.82	C(CCCC)(C(O)=O)C(O)=O
MCULE-4650460311	0.82	O=C1CC2C3CCCC3(C)CCC2C2(C)CCCCC21O
MCULE-4182736072	0.82	CC1(C(C2(C=O)CCC2)CCCC1)O
MCULE-2280230224	0.82	C12(CCCCC1CC1C(=O)C2CCC1)O
MCULE-9500236289	0.82	O=C(O)C1CCCC1=O
MCULE-9704365799	0.82	[H]C12CC(O)CCC1(C)C1C(CC3(C)CC(O)CC3C1CC2)=O
MCULE-8464659306	0.82	C[C@]12CC[C@H](O)C[C@]1([H])[C@@H](O)C[C@@]1([H])[C@]3([H])CC[C@H](C(=O)C)[C@@]3(C)CC[C@]21[H]
MCULE-8418088728	0.82	OC1(C2(CCCC2)CC1)CCC=O
MCULE-2855252481	0.82	OC1(C2(CCCCC2)CC1)CCC=O
MCULE-9128202618	0.82	OC1(C2(CCCC2)CC1)CC=O
MCULE-9256642523	0.82	O=C1CCCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC21O
MCULE-5537226560	0.82	C[C@@]1([C@H](CC(C2CC2)=O)CCCC1)O
MCULE-7722587632	0.82	CC(CCCC([O-])=O)O.[Na+]
MCULE-2843513529	0.82	C(C(=O)O)C(=O)C1CC1
MCULE-6757554121	0.82	O=C1CC2(C)C3CCC4(C)C(O)CCC4C3C(CC2(CC1)[H])=O
MCULE-8508145982	0.82	O=C1CCC2(C)C3C(CC4(C)CC(O)CC4C3CCC2(C1)[H])=O
MCULE-6540318880	0.82	C(CC(CCC)CC(=O)O)(=O)O
MCULE-4685004246	0.82	O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCCC21O
MCULE-7740494752	0.82	CC(CC1(C(O)=O)CCC1)=O
MCULE-6213617617	0.82	[C@@]12(C)[C@@]([H])([C@H](C)O)CCC1[C@]1(C([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C(=O)C2)[H]
MCULE-2552416728	0.82	O=C1CCC2(C)C3C(CC4(C)C(C)(O)CCC4C3CCC2(C1)[H])=O
MCULE-2147028492	0.82	OC(C1(CCCC1)O)=O
MCULE-4513523452	0.82	C12CC3CC(CC(C3)C1O)C2=O
MCULE-3066636390	0.82	O=C(C)C1CCC2C3CC(O)C45C(CCC4(C)C3CCC21C)C5
MCULE-4019531420	0.82	[C@@]12([H])CC[C@H](C(=O)C)[C@@]1([H])[C@H](C(C)C)CC[C@]2(O)C
MCULE-9332320504	0.82	CC(CC(C(=O)O)CC(=O)O)(C)C
MCULE-5660062778	0.82	[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1C(C2)=O
MCULE-5352096496	0.82	CCCC(C([O-])=O)CCCO.[Na+]
MCULE-3035503630	0.82	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CC[C@H](C(C)C)O)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]2([H])CC1=O
MCULE-3680158952	0.82	C(O)(=O)C(C1CCC1)=O
MCULE-4467363537	0.82	C1(CO)(C(C)CC1)C(O)=O
MCULE-8964977751	0.82	[H]C12CC(O)CCC1(C)C1C(CC3(C)CCC(O)C3C1CC2)=O
MCULE-6845034407	0.82	C1CC(O)(CCO)CCC1=O
MCULE-1967982625	0.82	OC1(C2(CCCCC2)CC1)CC=O
MCULE-9557132280	0.82	C12(C)CCC(CC1C(=O)CC1C3C(C)(C(CC3)C(C)CCCC(C)C)CCC12)O
MCULE-1785493425	0.82	C(C(O)C1CC1)C(O)=O
MCULE-3783153228	0.82	OC1(CCC2(CC2)CC1)CCC=O
MCULE-5483181646	0.82	CC1C2(CC(CCC2)CC1=O)O
MCULE-9429187529	0.82	CC1(C(C2C(=O)CCC2)CCCC1)O
MCULE-8654161103	0.82	C1(C(O)=O)CC(=O)C1(C)C
MCULE-3449258177	0.82	C12CC(C1(C)C)CC(=O)C2(C)O
MCULE-5534286219	0.82	[C@]1(C)(C[C@@](C1)(CC)O)C(O)=O
MCULE-2640984044	0.82	[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C[C@]2(CC1)[H])=O)[H]
MCULE-3544972262	0.82	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2(C1)[H])C(C)=O
MolPort-000-004-338	0.82	OC(=O)C1(O)CCCC1
MCULE-4660106838	0.82	CC1(C(CC(C2CC2)=O)CCCC1)O
MolPort-011-549-311	0.82	CC(O)(CC(O)=O)C1CC1
MCULE-5550286131	0.82	C12(C)CCC3C(CCC4CC(O)CCC34C)C1CC(C)C2(O)C(C)=O
MolPort-035-941-984	0.82	CC1(C)C(CC1=O)C(O)=O
MCULE-4129759758	0.82	OC1(C(C2CC2)CCCC1)CC=O
MolPort-006-069-090	0.82	C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MCULE-9421331312	0.82	CC(C(C1(C(O)=O)CC(C)C1)C)O
MolPort-044-649-695	0.82	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H](CC[C@]3(CO)CC[C@@]12C)C=O.CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H](CC[C@]3(CO)CC[C@@]12C)C=O
MCULE-4697861595	0.82	C(C1(CCC1)O)C(O)=O
MolPort-044-628-498	0.82	CC(C)CC(CC(O)=O)C(O)=O
MCULE-4135920946	0.82	C[C@@]1([C@H](C2(C=O)CCCC2)CCCC1)O
MolPort-020-097-761	0.82	OC1CCCC1C(O)=O
MCULE-7888882967	0.82	O=C(CC(CC(=O)O)CC(C)C)O
MolPort-046-761-482	0.82	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC(C=O)[C@]4(C)[C@H]3CC[C@]12C
MCULE-8520903082	0.82	OC([C@H]1C[C@H](C(O)=O)C1)(C)C
MolPort-035-942-779	0.82	CC[C@]1(O)C[C@](C)(C1)C(O)=O
MCULE-9173713717	0.82	[C@]12(C)CCC(C[C@]1([H])C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MolPort-035-942-780	0.82	CC[C@@]1(O)C[C@](C)(C1)C(O)=O
MCULE-5519958446	0.82	OC1C(C(O)=O)CCC1
MolPort-042-620-964	0.82	[Na+].CCCCC(=O)C([O-])=O
MCULE-3660783056	0.82	OC1C2C(=O)C(CCC2)CC1
MolPort-027-634-801	0.82	OC(C1CCC1)C(O)=O
MCULE-7242119099	0.82	CC1(C(C2(C=O)CC2)CCCC1)O
MolPort-023-278-789	0.82	OC(=O)C(=O)C1CCC1
MCULE-4004832628	0.82	O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2(C1)[H])C(C)=O
MolPort-046-673-376	0.82	CC1C(=O)CC2CCCC1(O)C2
MCULE-9236214878	0.82	[C@@]1(C)(C[C@@](C1)(CC)O)C(O)=O
MolPort-046-673-491	0.82	C[C@@H]1C[C@]2(C[C@@H]12)C(O)=O
MCULE-1306043247	0.82	[C@@]12([H])CC[C@@]3([H])CC(CCC3(C)[C@@]1([H])CCC1(C)[C@@](CC[C@@]21[H])(O)C(=O)C)=O
MolPort-035-395-464	0.82	C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-9720790774	0.82	[C@]12(C)C[C@@H](O)C3[C@@]([H])(CCC4CC(=O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MolPort-022-467-920	0.82	CC(O)(C1CCC1)C(O)=O
MCULE-4575533706	0.82	C(=O)(CCCC)C([O-])=O.[Na+]
MolPort-044-432-434	0.82	OC(=O)C12CC1CC2
MCULE-3496895499	0.82	[H]C12CCCCC1(C)C1C(O)CC3(C)C(CCC3C1CC2)C(C)=O
MolPort-046-067-704	0.82	CC1C2CCC[C@H](C2=O)C2(O)CCCCC12
MCULE-3700635492	0.82	OC1(CCC2(CC2)CC1)CC=O
MolPort-046-596-243	0.82	C[C@@H]1CC2C3CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MCULE-5236898540	0.82	C1(CC(C1)CC(O)=O)=O
MolPort-046-197-074	0.82	C[C@]12CC(=O)[C@H]3[C@@H](CCC4CC(O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-5995051629	0.82	[H]C12CCCCC1(C)C1CCC3(C)C(C(O)CC3C1CC2)C(C)=O
MolPort-035-706-090	0.82	OCCC1(O)CCC(=O)CC1
MCULE-3986040492	0.82	C12(CO)CCC(=O)C[C@]1(C)CCC1C3CCC(=O)C3(CCC21)C
MolPort-046-647-269	0.82	C[C@@H]1C[C@@]2(C[C@H]12)C(O)=O
MCULE-5143114271	0.82	[H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)CCC3C1CC2)=O
MolPort-035-706-179	0.82	CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H]([C@@H]12)C(C)=O
MCULE-1126799973	0.82	CC(C1CC1)(CC(=O)O)O
MolPort-027-846-679	0.82	C[C@@H]1CC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MCULE-8869632251	0.82	[C@]12([H])[C@@](O)(C)C(C[C@]([H])(C1)C2(C)C)=O
MolPort-020-168-099	0.82	[Na+].CC(O)CCCC([O-])=O
MCULE-5756679964	0.82	CC1([C@@H]2[C@](C(C[C@H]1C2)=O)(O)C)C
MolPort-046-681-965	0.82	CC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-028-599-884	0.82	CC1(C)[C@H]2CC[C@@]34C[C@H](CO)[C@@H](C3)CC[C@H]4[C@]2(C)CCC1=O
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MolPort-042-624-119	0.82	CC1CC2C3CCC4C[C@@H](O)CCC4(C)C3CCC2(C)C1(O)C(C)=O
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MolPort-000-838-449	0.75	COC(C)(C)CCCC(C)C(C)=O
MCULE-4202466207	0.75	C12[C@]3([H])[C@@](C)(O)CC[C@]3(C)C(CCC1C2(C)C)=O
MolPort-028-948-974	0.75	C[C@H]1C[C@@H]1C(O)=O
MCULE-3020713335	0.75	O=C1CCC2(C)C3(O)C(CC4(C)CC(O)CC4C3CCC2(C1)[H])=O
MolPort-027-950-779	0.75	OC(=O)[C@@H]1CCC(=O)C1
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MolPort-035-932-089	0.75	CC1(CCC(=O)C1)C(O)=O
MCULE-8306311088	0.75	CC1([C@@H](C(O)=O)C1)C
MolPort-003-987-708	0.75	COC(C)(C)CCCC(C)CC=O
MCULE-8539228760	0.75	CC1(C(O)=O)CCC1
MolPort-023-333-505	0.75	OC1CCC(C1)C(O)=O
MCULE-8070492716	0.75	[C@H]1(C(O)=O)[C@H](C1)C
MolPort-022-056-615	0.75	CC1CC(C)(C1)C(O)=O
MCULE-3597766176	0.75	OC(C(=O)CCCCCCCCCCCCCCC)C(CO)O
MolPort-019-906-269	0.75	CC1(C)CC(C1)C(O)=O
MCULE-6133795580	0.75	O[C@H]1C[C@H](C(O)=O)CC1
MolPort-022-056-772	0.75	CC1(C)CC(C)(C1)C(O)=O
MCULE-8715651663	0.75	OC(C1CC(=O)CC1)=O
MolPort-029-996-104	0.75	OC(=O)C12CC(C1)C2
MCULE-6488319727	0.75	O=C1CCCC2(CC(C3C4CCC(C4(C)C(O)CC3C21C)C(C)=O)=O)[H]
MolPort-044-586-679	0.75	CC1(C)C(C)(C)C1(C)C(O)=O
MCULE-4748853936	0.75	C(CCCC)([O-])=O.[K+]
MolPort-001-757-215	0.75	CC1(C)C(C(O)=O)C1(C)C
MCULE-9300153165	0.75	[C@@H]1(C(O)=O)[C@H](C1)C
MolPort-046-650-982	0.75	C[C@@H](C(O)=O)C1(C)CC1
MCULE-7347988261	0.75	[C@H]1(C(O)=O)[C@@H](C1)C
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MCULE-2498509888	0.75	C(O)(C1CCC1)=O
MolPort-027-835-931	0.75	C[C@H]1C[C@H](C1)C(O)=O
MCULE-1757330006	0.75	C1(C(O)=O)C(C1)C
MolPort-035-687-083	0.75	[Na+].[Na+].OC(CCCC([O-])=O)C([O-])=O
MCULE-4649943680	0.75	OC([C@@H]1CC(=O)CC1)=O
MolPort-020-915-654	0.75	CC1CC(C1)C(O)=O
MCULE-5097614569	0.75	C12(C)C[C@H](C3C4(C)CCC(O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)C)O
MolPort-046-661-601	0.75	C[C@H](C1CC1)C(O)=O
MCULE-1590977154	0.75	C1(C)(CC(O)=O)CC1
MolPort-046-159-909	0.75	C[C@@H](C1CC1)C(O)=O
MCULE-7875023459	0.75	C123C(=O)CCC(O)C1(C)CCC2C(C)(C)C3
MCULE-3013884259	0.75	O=C1CCCC2(C(O)CC3C4CCC(C4(C)CCC3C21CO)=O)[H]
MCULE-6388172792	0.75	CC(C(=O)O)(C1CC1)C
MCULE-1245851874	0.75	[C@H]1(C(O)=O)C[C@H]1C
MCULE-7666938493	0.75	OC1C2C3C4CC2C2C4C(C3=O)C12
MCULE-7817942434	0.75	[C@]12(C)CC(=O)[C@@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)C1CC[C@]2(O)C(C)=O)[H]
MCULE-1530106878	0.75	[H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)(CCC3C1CC2)C(C)=O)=O
MCULE-8058233700	0.75	CC1([C@@H](C(=O)O)C1)C
MCULE-2185016477	0.75	CC1CC(C(O)=O)C1
MolPort-002-498-177	0.74	OCC1(CO)CCC(CO)(CO)C1=O
MCULE-9934858112	0.74	OCC1(C(=O)C(CO)(CO)CC1)CO
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MolPort-046-681-925	0.73	Cl.CCCC(N)CCC(O)=O
MCULE-1427868111	0.73	C(O)(CCC1CCCC(C1)N)=O
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MCULE-3074354031	0.73	C(O)(CCC(CCC)Cl)=O
MolPort-028-748-756	0.73	COC(=O)C1CCC2CC(CCC2C1)C(=O)OC
MCULE-2748735108	0.73	Cl.C(O)(CC(C)CCCCCCCN)=O
MolPort-042-683-472	0.73	COC(=O)CCC1(CCC(=O)OC)CC1
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MolPort-029-497-382	0.73	COC(=O)C12CCC(CC1)CC2
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MolPort-020-007-220	0.73	COC(=O)CC1CCC(O)CC1
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MCULE-2429138404	0.73	Cl.C(CCCCCCCCC(C)N)(O)=O
MolPort-035-683-130	0.73	OC[C@H]1CCC(=O)C1
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MolPort-020-393-494	0.73	COC(=O)C1CC2(CC(C2)C(O)=O)C1
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MolPort-044-182-095	0.73	COC(=O)C12CCC(CC(O)=O)(CC1)CC2
MCULE-9063263498	0.73	[C@@H]1(C(=O)OC)CC[C@H](C(=O)O)CC1
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MolPort-035-705-910	0.73	C[C@@H](CCO)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MCULE-5304256304	0.73	C(=O)(CCCC=C)CCCCCC(=O)O
MolPort-046-691-109	0.73	[15NH2][13CH2]C1CCC(CC1)[13C](O)=O
MCULE-8504511485	0.73	COC(C1CCC2C(CCC(C(OC)=O)C2)C1)=O
MolPort-042-681-193	0.73	COC(=O)C1CCC(CC1)C(C)=O
MCULE-6089872609	0.73	Cl.C(O)(=O)CCCCCCN
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MCULE-9481035382	0.73	COC(C1(CCCC2(C)C1CCC1C2CCC(C(C)C)C1)C)=O
MolPort-046-676-605	0.73	O[C@@H]1C2[C@H]3C[C@H]1C[C@]23C(O)=O
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MolPort-046-147-350	0.73	COC(=O)CCC1CC(=O)C1
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MolPort-028-949-977	0.66	Cl.N[C@@H](CC1CCCCCC1)C(O)=O
MCULE-6544983775	0.66	C(O)(C12CC3(C)CC(CBr)(C1)CC(C2)C3)=O
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MolPort-022-382-964	0.66	OC(=O)C1(Br)CCCCC1
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MCULE-9172453010	0.66	C(O)(=O)C1(CCCCC1)Cl
MolPort-022-856-765	0.66	COCC1(CCCCC1)C(O)=O
MCULE-6749964401	0.66	C(C(C)CCCC(C)(C)OC)(=O)OC(C)C
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MCULE-4338987738	0.66	O=C(OC)C1CCC(C)(C)CC1=O
MolPort-023-164-123	0.66	OC(=O)C12CC3CC(C1)CC(C3)(C2)C(F)(F)F
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MCULE-1888713326	0.66	C(CCCCCCCCCCCCCCCC(=O)O)C(OC(C)(C)C)=O
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MCULE-4046553772	0.66	ClC(C12CC3CC(C)(C1)CC(C)(C3)C2)C(O)=O
MCULE-7070544430	0.66	CC(C1(C2(CCCC2)CC1)CC(O)=O)N
MolPort-035-868-964	0.66	Cl.NC1(C2CC3CC(C2)CC1C3)C(O)=O
MCULE-9204788308	0.66	C12C(C)(CCCC1(C)CCC(C2)C(=C)C(O)=O)O
MCULE-3215642186	0.66	CC(C(O)=O)(C1C2CC(CC2)C1)N
MolPort-035-927-634	0.66	OC(=O)C1(CC11CCCC1)C#N
MCULE-5097841519	0.66	C1(=O)C([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
MCULE-6660894839	0.66	C(OC)(=O)CC(C1CCCC1)=O
MolPort-035-942-831	0.66	Cl.N[C@H]1CCC[C@H](C1)C(O)=O
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MCULE-4671527520	0.66	Cl.N[C@H]1[C@@H](CC(O)=O)CCCC1
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MCULE-1388612667	0.66	Cl.O=C(O)[C@@H]1CC[C@H](N)CC1
MCULE-8637303916	0.66	C(O)(=O)C(F)C1CCCC1
MolPort-022-260-642	0.66	COC(=O)CC(=O)C1CCCC1
MCULE-3568136562	0.66	C1(CCC(CC(O)=O)C1)(F)F
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MolPort-022-150-064	0.66	COC(=O)C1CC11CC(=O)C1
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MCULE-2563431104	0.66	CCC1C(C(C(O)=O)F)CCCCC1
MolPort-021-997-402	0.66	OC(=O)C1CCCC(F)C1
MCULE-1923719545	0.66	Cl.NC1CC2(C(C(O)=O)C2)C1
MCULE-3524678284	0.66	C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)CC2C([C@@H]1O)=C)C
MolPort-023-330-960	0.66	COC(=O)CC(=O)C1CCCCC1
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MCULE-1663310557	0.66	Cl.NC1(CCCCC1)CC(O)=O
MolPort-023-278-672	0.66	COC(=O)C1[C@H](C)CCC1=O
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MCULE-1925624901	0.66	NC(C(O)=O)C1C(C2CC2)CCCC1
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MCULE-7775188579	0.66	OC(CC12CC3CC(C1)(CC(C3)C2)Cl)=O
MCULE-4701098034	0.66	C(O)(=O)C(F)CC1CCC1
MolPort-023-221-571	0.66	COC(=O)CC1(CC(O)=O)CCCCC1
MCULE-8045613210	0.66	C(CCCCCCCC)CCCCCCC(=O)OCC
MCULE-8805311720	0.66	NC(C(O)=O)C1C2CC(CC2)C1
MolPort-019-906-272	0.66	COC(=O)C1CCCC(O)C1
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MCULE-8654540851	0.66	O[C@H]1[C@H]2C[C@](C([O-])=O)(CC2)[C@H]1O.[Na+]
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MCULE-1312664174	0.66	OC(C1(C2CC(CC2)C1)CCC#N)=O
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MCULE-8503264489	0.66	CC1(C(CC2COCC2)(C)C1C(O)=O)C
MCULE-2895262716	0.66	OC(C12CC3(CC(CC(C3)C1)C2)F)=O
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MCULE-6019948868	0.66	COC1C(C(O)=O)CCCC1
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MCULE-9116592768	0.66	C(CCCCCCCCCCC)(OC(C)C)=O
MCULE-7737163430	0.66	BrC12CC3(CC(CC)(C1)CC(C3)C2)C(O)=O
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MCULE-5949193985	0.66	Cl.C12(C(N)CCC(O)=O)CC3CC(CC(C3)C1)C2
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MCULE-4513192027	0.66	COC(C1CC(=O)CCCC1)=O
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MCULE-2080732680	0.66	Cl.NCC(C(O)=O)C1CCCCCC1
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