Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-038-386-682	1	CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-007-980-898	1	CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4C(CCC4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-006-113-479	1	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-038-386-682	1	CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-002-524-982	1	CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-002-526-374	0.97	CC(=C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-512-174	0.97	CC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-005-945-339	0.97	CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-007-980-813	0.97	CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
MolPort-000-709-403	0.97	CC(=O)OCC12CCC(C1C1CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-002-513-739	0.97	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]12
MolPort-007-980-814	0.97	CC(=C)C1CCC2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-525-136	0.97	CC(=C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-044-649-690	0.97	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-046-153-739	0.97	CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@H](CC[C@]34C)OC(C)=O)C(=C)CC[C@H]2C1(C)C
MolPort-020-005-943	0.97	C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
MolPort-027-853-631	0.97	CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
MolPort-044-649-691	0.97	CC(=C)[C@@H]1CC[C@]2(COC(C)=O)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-002-530-001	0.97	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
MolPort-044-649-691	0.97	CC(=C)[C@@H]1CC[C@]2(COC(C)=O)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-002-526-135	0.97	CC(=O)OC[C@]12CC[C@H]([C@H]1[C@H]1CCC3[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-020-005-943	0.97	C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
MolPort-027-853-631	0.97	CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
MolPort-046-153-739	0.97	CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@H](CC[C@]34C)OC(C)=O)C(=C)CC[C@H]2C1(C)C
MolPort-044-649-690	0.97	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-035-706-347	0.95	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](OC(C)=O)C4(C)C
MolPort-035-706-347	0.95	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](OC(C)=O)C4(C)C
MolPort-023-213-012	0.94	CC(=O)OCCCCCCC=C
MolPort-023-213-017	0.94	CC(=C)CCCCCOC(C)=O
MolPort-023-213-018	0.94	CC(=C)CCCCCCOC(C)=O
MolPort-023-213-018	0.94	CC(=C)CCCCCCOC(C)=O
MolPort-023-213-017	0.94	CC(=C)CCCCCOC(C)=O
MolPort-023-213-012	0.94	CC(=O)OCCCCCCC=C
MCULE-1599397850	0.94	C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-4300429692	0.94	C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-7853598453	0.93	C1(=C)[C@H](C)[C@@H]([C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
MolPort-039-338-095	0.92	CC(=C)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-039-338-095	0.92	CC(=C)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-023-213-011	0.91	CC(=O)OCCCCCC=C
MolPort-023-213-011	0.91	CC(=O)OCCCCCC=C
MCULE-1907822903	0.91	C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC\1=O)[C@@]23[H])C
MCULE-4830898327	0.91	C1(=O)C(=CC)CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(C23)O1
MCULE-5897801481	0.91	CC=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(O)(CO)C(C)C1
MCULE-9753454229	0.91	C1(=C/C)\C[C@@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-3414587626	0.91	C1(=C/C)\C[C@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-9982898170	0.91	C1(=C/C)\CC([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
MCULE-8339457270	0.89	C1(C)C(C)C(C(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
MolPort-007-980-880	0.88	CC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-002-526-756	0.88	CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@@]4(CC[C@@]32C)C=O)C(C)=C)C1(C)C
MolPort-002-524-287	0.88	CC(=O)OC[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-042-644-764	0.88	CC(=O)OCC12CCC(C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-042-644-764	0.88	CC(=O)OCC12CCC(C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MCULE-7813149467	0.88	C1(=C/C)\CC([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
MCULE-4619423063	0.88	C/C=C(\C)/C(=O)O[C@@H]1[C@H]2N(CC=C2COC(=O)[C@@]([C@H](C)O)(O)C(C)(O)C)CC1
MCULE-6419923595	0.88	[C@@]12([H])[C@@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(O)(C)C)[C@@H](O)C)=O
MCULE-3606301433	0.88	[C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-8649403820	0.88	[C@@]12([H])[C@H](OC(=O)/C(=C/C)/C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-9812195195	0.88	[C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](O)C)=O
MolPort-029-943-095	0.87	CC(CCC1C(=C)CCC2C(C)(COC(C)=O)CCCC12C)CC(O)=O
MolPort-001-742-533	0.87	CC(CCOC(C)=O)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
MolPort-029-943-095	0.87	CC(CCC1C(=C)CCC2C(C)(COC(C)=O)CCCC12C)CC(O)=O
MCULE-3857064447	0.87	[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-2185301863	0.87	[C@@]12([H])[C@@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](OC)C)=O
MCULE-9645745208	0.87	[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-8051804437	0.87	[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
MCULE-7629911471	0.87	[C@@]12([H])[C@H](OC(C)=O)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@H](O)C)=O
MolPort-007-980-901	0.86	CC(=C)C1CCC2(COC=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC=O)C(C)(C)C5CC[C@@]34C)C12
MolPort-007-980-881	0.85	CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-002-527-313	0.85	CC(=O)OC(C)(CC[C@H]1[C@@](C)(CC[C@H]2C(C)(C)CCC[C@]12C)OC(C)=O)C=C
MolPort-002-948-163	0.85	CC(=O)OC(C)(CCC1C(C)(CCC2C(C)(C)CCCC12C)OC(C)=O)C=C
MolPort-002-801-253	0.85	COC(=O)C12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-002-525-792	0.85	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-035-683-181	0.85	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(CO)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-035-706-507	0.85	CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-003-960-143	0.85	CCCCCC(OC(C)=O)C=C
MolPort-038-386-613	0.85	CC(=C)C1CCC2(CCC3(COC(C)=O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-039-052-574	0.85	CC(C)=CCCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-039-338-354	0.85	COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2)C(C)=C
MolPort-027-853-632	0.85	CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
MolPort-023-274-314	0.85	CC(=O)OC1CCC2(C)CCC(CC2C1=C)C(C)(C)O
MolPort-039-338-354	0.85	COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2)C(C)=C
MolPort-038-386-613	0.85	CC(=C)C1CCC2(CCC3(COC(C)=O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-035-683-181	0.85	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(CO)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-035-706-507	0.85	CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-039-052-574	0.85	CC(C)=CCCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-023-274-314	0.85	CC(=O)OC1CCC2(C)CCC(CC2C1=C)C(C)(C)O
MolPort-027-853-632	0.85	CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
MCULE-8867616609	0.85	N12CC=C3COC(=O)[C@@](O)(C)[C@@](O)(C)[C@@H](C)C(=O)O[C@@]([H])([C@]13[H])CC2
MCULE-9322352863	0.85	[C@@]1(O)([C@H](O)C)C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3[C@@]2([H])[C@H](OC1=O)CC3)C
MCULE-9022540105	0.85	[C@@]1(C)(O)C(=O)OCC2=CCN3CC[C@H]([C@]32[H])OC(=O)[C@H](C)[C@@]1(C)O
MCULE-8617603456	0.85	[C@@H]1(C(C)C)[C@@](C)(O)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-7850891265	0.85	C1(O)(CO)C(C)[C@@H](C(O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
MCULE-5725050795	0.85	C1(C)(O)C(C(C)C)C(=O)OC2CCN3CC=C(C32[H])COC(=O)C1(C)O
MCULE-1675826727	0.85	C1(C)(O)C(=O)OCC2=CCN3CCC(C32)OC(=O)C(C)C1(C)O
MCULE-6390090045	0.85	[C@]1(C)(O)[C@@H](C(C)C)C(=O)O[C@@H]2CCN3CC=C([C@@]32[H])COC(=O)[C@]1(C)O
MCULE-5132490180	0.84	[C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@]1(O)[C@H](C)C(=O)O[C@@H]1C)=O
MolPort-006-110-796	0.83	CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
MolPort-044-755-240	0.83	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-044-755-193	0.83	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-476	0.83	CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CCC(=O)O2)[C@@]1(C)CCC(O)=O
MolPort-046-762-876	0.83	CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
MolPort-046-683-464	0.83	C.CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
MolPort-002-558-190	0.83	CC(CCC1(C)CC2CCC1C2)OC(C)=O
MolPort-046-195-337	0.83	CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
MolPort-044-755-193	0.83	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-476	0.83	CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CCC(=O)O2)[C@@]1(C)CCC(O)=O
MolPort-000-480-345	0.83	CC(=O)OC1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC(C)=O
MolPort-000-743-453	0.83	CC(=O)OC1CC2CCC1(C)C2(C)C
MolPort-006-110-216	0.83	CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
MolPort-046-195-337	0.83	CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
MolPort-002-507-826	0.83	CC(=O)OCC1CC2CCC1C2
MolPort-046-762-876	0.83	CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
MolPort-002-319-520	0.83	CC(=O)OC1CCC2(C)C(CCC3C4CCC(O)C4(C)CCC23)C1
MolPort-046-683-464	0.83	C.CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
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MolPort-006-148-551	0.62	C=CCC1CC(=O)OC1=O
MolPort-002-527-829	0.62	CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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MolPort-046-596-333	0.62	C[C@@H]1CC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OO)C(C)=O)OC(C)=O
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MolPort-003-987-191	0.62	CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-319-534	0.62	C[C@@H]1CC2C3CCC4CC(=O)CCC4(C)C3CCC2(C)[C@@]1(O)C(=O)COC(C)=O
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MolPort-006-114-200	0.62	CCCCCC(=O)OC(C)C
MolPort-027-640-939	0.62	CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
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MolPort-044-550-848	0.62	CC(=O)OCC1CCCC1(F)F
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MolPort-035-741-502	0.61	CCOC(C)C(=O)OC1CCC(CC1)C(C)(C)C
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MolPort-002-746-632	0.61	CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
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MolPort-044-649-790	0.61	C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3[C@H]1C)[C@H](F)C[C@@H]1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]41C)C(C)=C
MolPort-002-514-801	0.61	CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
MolPort-044-649-785	0.61	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-019-992-810	0.61	C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C
MolPort-023-274-350	0.61	C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C
MolPort-029-943-133	0.61	CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
MolPort-019-995-875	0.61	COC(=O)CCCC(C)=C
MolPort-031-658-980	0.61	COC(=O)C1CCC(CC1)OC(C)C
MolPort-046-146-530	0.61	CCOC(=O)C1CC11CCC1
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MCULE-7924316569	0.60	CC1CCCC=1C(NC1(COCC1)CC(=O)O)=O
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MCULE-9843705644	0.60	O[C@H]1[C@H](O)[C@H](O)C=C(C(NC2CC(C3CC3)OCC2)=O)C1
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MCULE-8513333238	0.60	C1(C(NCCCN2CCCCC2)=O)=C(C)C(OC21CCCCCC2)=O
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MCULE-2906458166	0.60	C1(C(NCCCN2CCC(CC2)N2CCCCC2)=O)=C(C)C(OC21CCCCC2)=O
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MolPort-046-596-360	0.60	C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
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MolPort-035-942-336	0.60	CC(C)(C)OC(=O)CC12CC(C1)(C2)C=O
MolPort-046-761-512	0.60	C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@H](O)[C@@H]1O)OC2=O)C(=C)C5
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MolPort-035-706-337	0.60	COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1C[C@H]1OC(=O)C(=C)[C@@H]21)[C@H](C)CC\C=C(/C)C=O
MolPort-046-690-258	0.60	CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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MolPort-046-419-746	0.60	O=C1OC(=O)C23CC12CCC3
MolPort-021-173-336	0.60	CCOC(=O)C1CC(C)(C)CCC1=O
MolPort-027-728-401	0.60	CCOC(=O)CC1CCC=C1
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MolPort-023-278-508	0.60	CCOC(=O)[C@@H]1CCCC[C@H]1O
MolPort-028-950-678	0.60	O=C1OCCC11CC1
MolPort-038-949-086	0.60	CCCOC1CCC(CC(O)=O)CC1
MolPort-028-228-315	0.60	CCOCC(=O)OC1CCCCCC1

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