SANC00247 Sargaquinoic acid




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-046-158-440 0.87 CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
MolPort-039-138-993 0.85 CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-044-183-171 0.85 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-003-939-181 0.85 CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-039-138-874 0.85 CCCCC[C@@](C)(O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MCULE-1713115618 0.84 C1=CC2C3C=CC3C1C=C2C(=O)O
MolPort-009-018-240 0.80 CCCCC(C)(C)C(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(O)=O
MolPort-009-018-222 0.80 CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(O)=O
MolPort-039-139-033 0.80 CCCCC[C@@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-009-018-232 0.80 CCCCCC(O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O
MolPort-046-647-251 0.80 CC(C)(C)C1=CC(O)(CCC(O)=O)C=C(C1=O)C(C)(C)C
MolPort-001-833-109 0.79 OC(=O)C1=C(C2CC1C=C2)C(O)=O
MCULE-7592737892 0.79 C1(C(=O)O)C2C=CC(C2)C=1C(=O)O
MCULE-6914354313 0.79 C1=CC2C=CC3C(C(O)=O)=CC1C23
MCULE-6709332090 0.78 C1(CC2(C=1)CC(=C2)C(O)=O)C(O)=O
MCULE-4184427131 0.78 C1C(C)(C)C(O)(/C=C/C(=O)C)C(C)=CC1=O
MCULE-7184104452 0.78 C12CCC(C=C1)C(C(O)=O)=C2C(O)=O
MolPort-004-964-596 0.78 CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
MolPort-046-196-430 0.77 OC(=O)C1=CC2CCC1C=C2
MCULE-3574368321 0.77 C(O)(=O)C1CC=CC(C)(C)CC=C(C)CCC=1
MolPort-001-742-386 0.77 C\C1=C/CC(C)(C)\C=C\C\C(=C\CC1)C(O)=O
MolPort-001-740-423 0.75 CC(O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
MolPort-035-706-271 0.75 C[C@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-003-804-175 0.75 C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
MCULE-4026689667 0.75 C1C(C)(C)C(O)(/C=C/C(O)C)C(C)=CC1=O
MCULE-5582529261 0.75 C/C(=C/CC/C(/C(O)=O)=C\CC/C(/C)=C/CC/C(/CO)=C/CO)/C
MolPort-001-741-158 0.75 CC(C)=CCC\C(=C/CC\C(C)=C\CC\C(CO)=C\CO)C(O)=O
MolPort-002-860-220 0.74 CC1=C(C)CC(C(O)=O)=C(C1)C(O)=O
MCULE-2831224780 0.74 C1(C(O)=O)CC(C)=C(CC=1C(O)=O)C
MCULE-3363997729 0.74 C1=CC(=O)C(C([H])=C(C(O)CCCCC)[H])C1CC([H])=C(CCCC(=O)O)[H]
MolPort-046-766-237 0.74 C[C@H]1C[C@@H]2C3=C([C@@H](O)C[C@]2(C)C1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1CC3
MolPort-046-702-685 0.74 CCCCCC(O)\C=C\[C@@H]1C(C\C=C\CCCC(O)=O)C=CC1=O
MolPort-003-959-398 0.74 CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-027-640-982 0.74 CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-006-118-969 0.72 CC(=C)C1CCC(=CC1)C(O)=O
MolPort-035-706-169 0.72 CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
MolPort-044-637-451 0.72 CC(O)C(O)\C=C(/C)C1CCC2C3=CC(=O)C4CC(O)CC=C(C4)C3CCC12C
MolPort-009-019-192 0.72 CCCCC\C=C/C\C=C/CC\C=C/CCCC(O)=O
MCULE-8952366396 0.72 C1=CC2CC1(C13CC(C(C(OC)=O)=C1C(OC)=O)C=C3)C(C(OC)=O)=C2C(OC)=O
MCULE-2460476091 0.72 C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
MCULE-4464721001 0.72 C12C(=O)C=CC(=O)C=1C1C3C=CC3C2C=C1
MCULE-2236994087 0.72 C1(CCC(CC=1)C(C)=C)C(O)=O
MCULE-8544656876 0.72 C12CC(CC=C(C1)C1CCC3(C)C(/C(/C)=C/C(O)C(C)O)CCC3C1=CC2=O)O
MolPort-039-052-673 0.72 C[C@@H](O)\C=C\[C@H]1C(CO)=CC(=O)CC1(C)C
MolPort-001-812-569 0.71 COC(=O)C1=C(C2C=CC1C1C=CC21)C(=O)OC
MolPort-035-705-838 0.71 CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
MolPort-039-052-452 0.71 C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
MolPort-044-755-231 0.71 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34O)[C@@H]1CCC2=O
MCULE-1640770034 0.71 C1(C(OC)=O)C2C=CC(C3C=CC32)C=1C(OC)=O
MCULE-9280913968 0.71 C1=CC2C3C(C=C2)C2=CCC(C(OC)=O)=C(C(=O)OC)C2C13
MCULE-3773650223 0.71 C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MCULE-7321817046 0.71 CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
MCULE-6879064173 0.71 C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
MCULE-9976634952 0.71 C12CC(=C(C)CC=1C(=O)C1CC(C)=C(C)CC=1C2=O)C
MCULE-1187877446 0.71 C1(C)C2(C(=C(C(=O)OC)C2(C)C=1C)C(OC)=O)C
MolPort-001-742-450 0.71 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
MolPort-006-668-441 0.71 CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
MolPort-005-945-021 0.70 CC\C=C\CC1=C(CCCCCCCC(O)=O)CCC1=O
MolPort-039-338-695 0.70 CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
MolPort-001-742-388 0.70 CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
MolPort-023-276-387 0.70 CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MCULE-2519630522 0.70 C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
MCULE-2422100047 0.70 C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
MCULE-5887629699 0.70 C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@]([H])(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
MCULE-1505073195 0.70 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-2846082692 0.70 C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
MCULE-1927684059 0.70 C1C(=C[C@H](/C=C(\CO)/C(O)=O)[C@@H](C(C)C)C1)CO
MolPort-004-964-914 0.70 CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-035-706-434 0.70 C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
MolPort-027-853-563 0.70 CC(C)[C@H]1CCC(CO)=C[C@@H]1\C=C(/CO)C(O)=O
MolPort-001-742-758 0.69 CC1(C)CCCC2(C1CC(=O)C1=CC(C)(CCC21O)C=C)C(O)=O
MolPort-002-915-849 0.69 O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
MolPort-002-894-037 0.69 CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-021-804-466 0.69 C\C(CO)=C1\C\C=C(C)\CC\C=C(C)\CC1=O
MolPort-019-937-542 0.69 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
MolPort-019-937-276 0.69 CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
MCULE-3401105479 0.69 C1CC2(C(=O)O)C3(O)CCC(C)(C=C)C=C3C(=O)CC2C(C)(C)C1
MCULE-8302753934 0.69 C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O
MCULE-4203969651 0.69 C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O
MCULE-7022735372 0.69 C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-9638281061 0.69 C1=C(C)CC(=O)/C(=C(/CO)\C)/CC=C(C)CC1
MCULE-1436572136 0.69 C12[C@@]([H])([C@H](C)CC[C@@]1([H])/C(/[H])=C(\C)/C(O)=O)[C@@H](CC=2C)O
MCULE-2950001631 0.69 C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
MolPort-019-937-243 0.69 C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](O)[C@H]12
MolPort-035-706-265 0.69 CC1=CC(=O)CC(C)(C)[C@@]1(O)\C=C\[C@H](O)CO
MolPort-003-935-694 0.69 C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)CC[C@H]12
MolPort-039-138-854 0.69 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-044-183-126 0.69 CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-039-138-850 0.69 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-677-777 0.69 OC(=O)C1=CC2CC\C=C/CCC12
MolPort-044-183-226 0.68 CCCCCC(=O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=C
MolPort-005-943-996 0.68 C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
MolPort-046-693-679 0.68 COC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2C1=O
MolPort-044-183-058 0.68 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-009-019-273 0.68 CCCCC\C=C/C\C=C/CCCC\C=C/CCCC(O)=O
MolPort-009-018-907 0.68 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
MolPort-003-666-529 0.68 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-009-019-253 0.68 CCCCC\C=C/CCCC\C=C/C\C=C/CCCC(O)=O
MolPort-006-169-802 0.68 CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(O)=O
MCULE-3161766037 0.68 C(O)(C1=CCCCCCCCCC1)=O
MCULE-3588728893 0.68 C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
MCULE-8494008475 0.68 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-9439225491 0.68 CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
MCULE-4940046247 0.68 C1(C(OC)=O)CC2CC3=C(CC=2CC=1C(OC)=O)CC(C(OC)=O)=C(C(OC)=O)C3
MCULE-6355846723 0.68 C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
MCULE-1945667981 0.68 C12[C@@](C)(CC[C@@]([H])([C@H](C)C(OC)=O)C1=O)C=CC(=O)C=2C
MCULE-1490219000 0.68 C1=CC2([H])CC(O)C3([H])C(C(=O)O)=CC1([H])C23[H]
MCULE-7182736800 0.68 C(CC=CCCCC(O)=O)=CCC=CCC=CCCCCC
MCULE-7293878607 0.68 C(/C/C=C\CCCC(=O)O)=C/C/C=C\C/C=C\CCCCC
MCULE-6201411165 0.68 CC1=CCC(C(O)=O)=CC1
MCULE-8288730380 0.68 C1C(=O)C2C3CCC(C(C)=C3)C=2C(=O)C=1
MolPort-046-591-736 0.68 CC1=CCC(=CC1)C(O)=O
MolPort-019-936-771 0.68 C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
MolPort-023-220-687 0.68 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MolPort-019-936-866 0.68 C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-006-118-882 0.68 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MolPort-038-386-640 0.68 CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
MolPort-046-689-207 0.68 [Na+].C[C@@H]1C(O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(O)C[C@H]2\C([C@@H](O)C[C@]12C)=C(\CCC=C(C)C)C([O-])=O
MolPort-009-018-963 0.68 CCCCCC1=CC(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O
MolPort-009-018-224 0.68 CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
MolPort-046-790-504 0.67 CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-020-006-184 0.67 CC(C)(C)C1=CC(C)(O)C=C(C1=O)C(C)(C)C
MolPort-021-804-739 0.67 CC(C)=C1CC2C(C)(O)CCC2(O)C(C)=CC1=O
MolPort-039-338-605 0.67 CC(C)=C1C[C@@H]2[C@@](C)(O)CC[C@]2(O)C(C)=CC1=O
MolPort-006-112-811 0.67 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-003-939-182 0.67 CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1
MCULE-5305214615 0.67 CC(CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O)=O
MCULE-8305243178 0.67 C12C/C(=C(/C)\C)/C(=O)C=C(C)C1(O)CCC2(C)O
MCULE-6559055372 0.67 [C@]12(O)CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
MCULE-1910675191 0.67 C(CC(C1(O)CC=C(C)CC1)=C)/C=C(\C)/C(=O)O
MCULE-4243027733 0.67 C(O)(C1C(C)(C)C(C=CC(O)=O)(C)CC1)=O
MCULE-6477437107 0.67 C1(CCCC(=O)C=1)C(O)=O
MCULE-2797527002 0.67 C1(C(=O)O)=CCC(CCCCCC)CC1
MCULE-1509278335 0.67 [C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
MCULE-9001401593 0.67 C1(=O)C=C(C)CC(O)C(=O)C(C)(C)CC=C(C1)CO
MCULE-7065925222 0.67 C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
MCULE-4179231449 0.67 C1C(C)(C)[C@@](O)(/C=C/C(/C)=C/CO)C(C)=CC1=O
MCULE-9478310264 0.67 C1=C[C@]2(C(=CC1=O)CCC1[C@]3([H])CC[C@](O)(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
MCULE-4318512728 0.67 C1=CC2C=CC3C(C(=O)OC)=CC1C23
MCULE-6977051035 0.67 C1=CC2C3C(C)([H])C(C(OC)=O)=C(C(OC)=O)C(C=3C1C2)(C)[H]
MCULE-6242790082 0.67 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
MCULE-1825456795 0.67 C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
MCULE-1005769729 0.67 C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1
MCULE-9150714373 0.67 C1(C(C)(C)CCCC=1C)C(O)=O
MCULE-3750924928 0.67 C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
MCULE-7258934827 0.67 C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
MCULE-9857200349 0.67 C1(CCC(CC=1)C(C)(C)C)C(O)=O
MolPort-002-800-680 0.67 CC(C)(C)C1CCC(=CC1)C(O)=O
MolPort-001-742-683 0.67 C\C(=C/CCC(=C)C1(O)CCC(C)=CC1)C(O)=O
MolPort-006-111-373 0.67 CC1=C(C(O)=O)C(C)(C)CCC1
MolPort-046-697-360 0.67 C\C1=C/C(=O)C\C(CO)=C\CC(C)(C)C(=O)C(O)C1
MolPort-046-677-790 0.67 OC(=O)C1=CC2CCCCCCC12
MolPort-044-183-055 0.67 [NaH].CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O
MolPort-009-018-298 0.67 CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=C
MolPort-006-120-169 0.67 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-044-567-536 0.67 C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)[C@@]1(O)C(=O)CO
MolPort-042-675-459 0.67 C\C(=C/CO)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-027-641-391 0.67 [2H]\C(CCCCCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
MolPort-046-589-942 0.67 C[C@]12CC[C@H]3[C@@H](C=C(CO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-039-052-627 0.67 CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
MolPort-028-952-171 0.67 OC(=O)C1=CCCCCC1
MolPort-021-804-689 0.67 CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
MolPort-046-158-400 0.67 CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
MolPort-046-766-229 0.67 C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(O)C(=O)CO
MolPort-009-018-831 0.67 OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-028-610-103 0.67 C\C(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)=C/C(O)=O
MolPort-046-153-168 0.67 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-035-706-109 0.67 CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
MolPort-035-706-174 0.67 C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
MolPort-006-391-498 0.66 [2H]C1=C(C([2H])([2H])[2H])[C@](O)(\C=C\C(\C)=C/C(O)=O)C(C)(C)C([2H])([2H])C1=O
MolPort-003-665-998 0.66 C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O
MolPort-003-925-024 0.66 C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O
MolPort-044-561-050 0.66 C\C(\C=C/C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O
MolPort-001-766-672 0.66 C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O
MolPort-005-944-466 0.66 C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O
MolPort-046-690-441 0.66 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-046-196-989 0.66 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-766-286 0.66 CC1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C(CO)=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C
MolPort-000-730-361 0.66 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
MolPort-046-766-227 0.66 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO
MolPort-046-764-997 0.66 [2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C([2H])([2H])C(=O)[C@]21[2H]
MolPort-046-765-995 0.66 C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]2(O)[C@@H](O)CO
MolPort-046-764-827 0.66 [2H]C1=C[C@]2(C)[C@@H]3[C@@H](CCC2=C([2H])C1=O)[C@@H]1CC[C@](O)(C(=O)C([2H])([2H])O)[C@@]1(C)C([2H])([2H])C3=O
MolPort-001-740-041 0.66 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-001-832-305 0.66 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
MolPort-006-113-124 0.66 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-046-690-130 0.66 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO
MolPort-019-937-543 0.66 CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
MolPort-002-800-179 0.66 CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
MolPort-035-706-267 0.66 C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-035-706-266 0.66 C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-002-513-837 0.66 CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
MolPort-021-804-809 0.66 CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-002-911-143 0.66 C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
MolPort-035-706-111 0.66 CC(C)(O)[C@H]1CCC(=CC1)C(O)=O
MolPort-003-891-724 0.66 CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC
MCULE-3739371957 0.66 C1(C)(C)CC(=O)C=C(C)C1(C=CC(C)=CC(=O)O)O
MCULE-8802778088 0.66 C(O)(=O)C=C(C=C[C@@]1(O)C(=CC(=O)CC1(C)C)C)C
MCULE-9944979210 0.66 O=C(/C=C(\C=C\C1(C(C)(C)CC(=O)C=C1C)O)/C)O
MCULE-8698265093 0.66 C1C(C)(C)[C@@](O)(C=CC(C)=CC(O)=O)C(C)=CC1=O
MCULE-9427838644 0.66 C12(C)CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(CO)=O
MCULE-4625091681 0.66 C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
MCULE-2603291254 0.66 [C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-4729751323 0.66 C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
MCULE-7939545317 0.66 O=C1C=C[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](C[C@@H]([C@@]4(C(=O)CO)O)C)([H])[C@]3([H])CCC2=C1)[H])C
MCULE-9381861258 0.66 C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-9448141357 0.66 C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
MCULE-7712069033 0.66 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MCULE-2832089707 0.66 C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
MCULE-9742304708 0.66 C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
MCULE-2810354958 0.66 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-5877894053 0.66 C(C)(C)(CC)C1C(C=C(C(C=1)=O)C(CC)(C)C)=O
MCULE-6477809398 0.66 C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])C2COC(=O)C1=2
MCULE-9373167163 0.66 C12C3C(C4C=CC1C2C=C4)C1C3C2C=CC1C(=C2C(OC)=O)C(OC)=O
MCULE-2366326470 0.66 C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
MolPort-035-705-816 0.66 CC(C)C1=CC(=O)C2=C(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O
MolPort-046-589-601 0.65 CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
MolPort-019-937-489 0.65 CC12CCCC(C)(C)C1CC=C2C(O)=O
MolPort-039-052-429 0.65 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC\C([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(/C)C(O)=O
MolPort-046-677-788 0.65 OC(=O)C1=CC2CCCCCC12
MolPort-046-647-049 0.65 OC(=O)C1=C[C@@H]2CCCC[C@H]12
MolPort-005-944-580 0.65 CC1CCC2C(=CC3CC(C)(C)CC123)C(O)=O
MolPort-042-675-448 0.65 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
MolPort-002-915-854 0.65 CC1=CC(=O)C(CCCC2=CC(=O)C=CC2=O)=CC1=O
MolPort-003-804-042 0.65 CC(C)CC(=O)C1=C(O)[C@@](O)(CC=C(C)C)C(O)=C(CC=C(C)C)C1=O
MolPort-046-153-144 0.65 CC(CC1=C2C(C(C)C1)C1(C)CC(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C2=O)C(O)=O
MolPort-042-675-447 0.65 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CC=C1C2(C)CCC2C(C)(C)C(=O)C=CC12C
MCULE-2582951504 0.65 C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
MCULE-7325515313 0.65 C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
MCULE-9549317752 0.65 C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
MCULE-7093893764 0.65 C1=CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
MCULE-1872459490 0.65 C(C[C@@]1(/C(/CC[C@@]2([H])[C@]3(C)CC[C@]([H])([C@@H](CC/C=C(\C)/C(=O)O)C)[C@@]3(C)CC[C@]21C)=C(\C(O)=O)/C)[H])C(O)=O
MCULE-9625917775 0.65 C1(CCCC2=CC(C=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-9251734852 0.65 C1CC2(C)C3C(=O)CC4(C)C5C(C)CC(CC(C)C(=O)O)=C5C(=O)C4(C)C=3C(O)CC2C(C)(C)C1=O
MCULE-6133157786 0.65 C1=CC2(C)C3=CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
MCULE-8107340389 0.65 C12CC(=O)C(C)=C1CC(C(C(=O)O)=C)C(O)CC2C
MCULE-2084098314 0.65 O=C(/C=C/CCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](C[C@H](CCCC)C)O)O
MCULE-3987885076 0.65 C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-6144873686 0.65 C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
MCULE-6566332427 0.65 C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-2036056204 0.65 C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
MCULE-9248944569 0.65 C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
MCULE-3860629045 0.65 C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
MCULE-4114109251 0.65 C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
MCULE-1397397840 0.65 O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
MCULE-2640054094 0.65 O=C1CC(O)C(C)=C1CC=C
MCULE-3392411245 0.65 [C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-1873537798 0.65 C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
MCULE-8147130899 0.65 C(CCCCCC(=O)O)C(/C=C\C/C=C\CCCCC)O
MCULE-2395006256 0.65 O=C1C=C[C@@]2(C)C(C(C[C@@]3([C@@]2(CC[C@@]2(C)[C@]3(CCC2=O)[H])[H])[H])=O)=C1
MCULE-4202565953 0.65 C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
MCULE-8346653877 0.65 CC1CC(C)(C)CCC=1C(=O)O
MCULE-1863648617 0.65 C1[C@@]2(C)C(C(=O)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
MCULE-8575606113 0.65 C1(=O)C=C2C(C)(CC/C(/C)=C\C(=O)O)C(C)CCC2C(C)(C)C1
MCULE-9310183372 0.65 C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)O
MCULE-9246661061 0.65 C(C(=O)OC)C[C@]1(C)C2=CC[C@@]3([C@@]([H])([C@@H](CC/C=C(\C(O)=O)/C)C)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
MolPort-046-690-127 0.65 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC=C2C(=O)CO
MolPort-006-394-788 0.65 [2H]C([2H])([2H])[C@@H](CCCC)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
MolPort-002-508-612 0.65 C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
MolPort-006-823-932 0.65 CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
MolPort-046-765-572 0.65 C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)CC(=O)[C@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-153-808 0.65 C[C@]12CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O
MolPort-027-640-891 0.65 CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-021-804-571 0.65 CC1CC(O)C(CC2=C(C)C(=O)CC12)C(=C)C(O)=O
MolPort-046-596-375 0.65 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
MolPort-001-740-973 0.65 C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
MolPort-039-338-120 0.65 C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-046-765-403 0.65 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-765-410 0.65 C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
MolPort-002-512-788 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
MolPort-006-668-579 0.65 CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
MolPort-008-155-609 0.65 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
MolPort-001-740-910 0.65 CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
MolPort-046-692-934 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-004-801-991 0.65 CC1(C)CCC=C(C1)C(O)=O
MolPort-019-904-832 0.65 CC1CCC(=CC1)C(O)=O
MolPort-019-937-181 0.65 CC1CCC2C(=CC(=O)CC2(C)C)C1(C)CC\C(C)=C/C(O)=O
MolPort-029-942-945 0.65 C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
MolPort-027-641-344 0.65 CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
MolPort-027-640-987 0.65 CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-003-959-213 0.65 CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
MolPort-023-274-284 0.65 CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
MolPort-028-750-136 0.65 C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-879-590 0.65 CC1=CC(=O)C2CC1C(C)=CC2=O
MolPort-039-060-935 0.65 CC1=C(CCC(C)(C)C1)C(O)=O
MolPort-039-239-507 0.65 CC1(C)CCC(=CC1)C(O)=O
MolPort-039-139-158 0.65 CCCCC[C@@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
MolPort-046-763-158 0.65 CCCCC[C@H](O)\C=C\[C@H]1CC2CC(C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-002-528-276 0.65 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-001-739-472 0.65 CCCCC\C=C/C\C=C/C(O)CCCCCCC(O)=O
MolPort-039-338-852 0.65 COC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC\C=C(\C)C(O)=O)C(C)=C
MolPort-046-761-807 0.64 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-764-888 0.64 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-038-386-562 0.64 CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
MolPort-006-668-177 0.64 C\C(CCC1C(=C)CCC2C1(C)CC(O)CC2(C)C(O)=O)=C/C(O)=O
MolPort-035-705-871 0.64 C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O
MolPort-009-019-193 0.64 CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)OC
MolPort-003-848-083 0.64 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-689-989 0.64 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-035-706-191 0.64 CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
MolPort-046-646-765 0.64 OC(=O)C1=CC2CCCC12
MolPort-046-196-836 0.64 C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-044-723-276 0.64 C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
MolPort-044-723-310 0.64 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-052-422 0.64 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-153-152 0.64 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-028-610-143 0.64 OC(=O)CCCCCC\C=C\C(O)=O
MolPort-003-927-207 0.64 OC(=O)CCCCCCCC\C=C\C(O)=O
MolPort-005-944-505 0.64 C\C(CCC1C(C)=CC(=O)CC1(C)C)=C/CO
MolPort-044-754-165 0.64 OC(=O)CCCCCCCCCCC\C=C\C(O)=O
MolPort-023-313-258 0.64 CC1(C)CCC=C1C(O)=O
MolPort-044-754-166 0.64 OC(=O)CCCCCCCCC\C=C\C(O)=O
MolPort-009-018-817 0.64 OC(=O)CCCCCCCC\C=C/C(O)=O
MolPort-039-338-123 0.64 CC(CC(=O)\C=C(\C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
MolPort-046-790-365 0.64 C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
MolPort-003-933-180 0.64 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MCULE-2528813222 0.64 C1=C[C@]2(C)C3CC[C@]4(C)C(=O)CCC4C3C[C@@H](CO)C2=CC1=O
MCULE-9029872817 0.64 C1(CCCCCCCO)C(=O)C[C@@H](O)C=1
MCULE-3560182453 0.64 C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
MCULE-4753796367 0.64 C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
MCULE-8499932204 0.64 C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
MCULE-7117901308 0.64 C1CC2(C)C3C(=O)CC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-1627239407 0.64 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
MCULE-4929710192 0.64 C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
MCULE-5765051698 0.64 C(CCCC=CC(O)=O)CCCCC(O)=O
MCULE-6540475820 0.64 CC1(C(C(O)=O)=CCC1)C
MCULE-9564533694 0.64 OC(=O)/C=C/CCCCCCCCCCCC(=O)O
MCULE-1261827700 0.64 OC(=O)/C=C/CCCCCCCCCC(=O)O
MCULE-7256161983 0.64 C1(CC(C)(C)C(C(=C1)C)CC/C(/C)=C/CO)=O
MCULE-3603972230 0.64 C1(CCC(=CC2CCCO2)C1=O)=CC1CCCO1
MCULE-9255224968 0.64 C(O)(=O)CCCC=CCC=CCC=CCC=CCC=CCC
MCULE-2326280646 0.64 C(O)(=O)C(CCC)=CCC(C)C
MCULE-7694867483 0.64 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
MCULE-8228429125 0.64 C1C2(C(C=C(C(=O)O)C2CC(O)=O)CC1(C)C)C(=O)CO
MCULE-5855122450 0.64 C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
MCULE-7650700083 0.64 O=C1C2CC=CCC2(C)C(C(O)=C1)=O
MCULE-7552770733 0.64 C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(O)CC2C(C)(C)C1=O
MCULE-9871680934 0.64 C12(C)CC=C(C(=O)O)CCC1C(O)(C(O)(C)C)C(O)C2
MCULE-9797468470 0.64 CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
MCULE-4110286960 0.64 [C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
MCULE-2255462467 0.64 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-2705141143 0.64 [C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
MolPort-046-697-151 0.64 CC1(C)CC2C=C(C(CC(O)=O)C2(C1)C(=O)CO)C(O)=O
MolPort-021-804-783 0.64 CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O
MolPort-039-338-234 0.64 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
MolPort-046-153-150 0.64 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
MolPort-039-139-024 0.64 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=C)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-689-994 0.64 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-039-338-595 0.64 CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)=CC1=O
MolPort-046-697-152 0.64 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
MolPort-039-139-023 0.64 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=C)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-690-081 0.64 C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-042-675-450 0.64 CC(C)(O)C1(O)C(O)CC2(C)CC=C(CCC12)C(O)=O
MolPort-039-338-097 0.64 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-042-675-234 0.64 C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-039-052-451 0.64 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-001-742-062 0.64 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-039-052-641 0.64 C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-027-640-932 0.64 CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-038-934-350 0.64 [Na+].[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C([O-])=O
MolPort-035-785-432 0.64 [Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C(O)=O
MolPort-027-640-933 0.64 CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-766-238 0.64 C[C@H]1C[C@@H]2C3=CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1(O)C(=O)CO
MolPort-044-754-142 0.64 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
MolPort-001-742-389 0.64 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-046-765-398 0.64 C[C@@H]1C[C@H]2C3=CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1(O)C(=O)CO
MolPort-046-790-505 0.64 C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-046-153-163 0.63 CC12CC(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
MolPort-002-915-935 0.63 CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-002-915-936 0.63 CC1=CC(=O)C(CCCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-002-915-848 0.63 O=C1C=CC(=O)C(CCCCCCC2=CC(=O)C=CC2=O)=C1
MolPort-042-652-807 0.63 C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-697-204 0.63 C\C(=C/CO)C1C(C)=CC2CC(C)(O)CC(C2C1(C)C(=O)CCO)C(O)=O
MolPort-001-742-387 0.63 CC1(C)CC2C1[C@@H](O)CC(=CCCC2=C)C(O)=O
MolPort-046-697-216 0.63 CC(=O)C12CC(C)(C)CC1C=C(C2CC(O)=O)C(O)=O
MolPort-046-790-501 0.63 CC1=C(C)[C@H]2C3=CC[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(CC1)C(O)=O
MolPort-046-790-392 0.63 C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-028-610-172 0.63 CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
MCULE-4207394958 0.63 C1(C(C)=CC2C(C1(C)C(CCO)=O)C(C(=O)O)CC(C)(O)C2)/C(=C/CO)/C
MCULE-9582195314 0.63 C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-8485600766 0.63 O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O
MCULE-2300065923 0.63 C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O
MCULE-3468058170 0.63 C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-6105448410 0.63 C1CC2C3C(C)([H])C(C(OC)=O)=C(C(OC)=O)C(C=3C1C2)(C)[H]
MCULE-2907287296 0.63 C1C(CC2C1(C(C(C(=O)O)=C2)CC(O)=O)C(=O)C)(C)C
MCULE-2170216646 0.63 O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
MCULE-4963816026 0.63 O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
MCULE-1585586063 0.63 C12C(CCC(=O)C=1)CC(C(O)=O)C2
MCULE-7932579394 0.63 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-7895815151 0.63 O=C1C=CC(O)C2CC=CC(C21)C(O)=O
MCULE-9490867225 0.63 C12(C)C=CC(C=C1CCC1([H])C2([H])CCC2(C1([H])CCC2(C)O)C)=O
MCULE-2363731744 0.63 C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
MCULE-2855337345 0.63 C[C@@]12[C@](O)(C)CC[C@H]1[C@@H]1CCC3[C@@](C)([C@H]1CC2)C=CC(=O)C=3
MCULE-3188056951 0.63 C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
MCULE-3216123627 0.63 C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
MCULE-1812806265 0.63 [C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
MCULE-1426909577 0.63 C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
MCULE-1941485534 0.63 C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2C(C)CO)C)=O
MCULE-5078166082 0.63 C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
MCULE-6967238597 0.63 C12C=CCC(C1(C(OC)=O)[H])C=C2
MCULE-6100987483 0.63 C(=C/CCC(CCO)C)(\C(=O)O)/C
MCULE-4029530091 0.63 C(O)(=O)C=CC1CCC=CC1
MCULE-3768279019 0.63 CC1C(C(C=CC(O)=O)=O)C1
MCULE-7550164871 0.63 OC(C=CC(C1CCC1)=O)=O
MCULE-1320768870 0.63 CC1(C(C(C=CC(O)=O)=O)C1)C
MCULE-3727435032 0.63 C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2475543698 0.63 C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
MCULE-4351701102 0.63 C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
MolPort-005-944-829 0.63 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
MolPort-006-668-526 0.63 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
MolPort-001-740-574 0.63 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C/C(O)=O
MolPort-046-761-808 0.63 [2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])O
MolPort-046-693-081 0.63 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@H]2O
MolPort-002-506-910 0.63 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-038-386-585 0.63 OC(CCCCCCCC(O)=O)\C=C\C(O)=O
MolPort-035-706-199 0.63 C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
MolPort-002-508-334 0.63 C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-001-791-998 0.63 OC(=O)C1=CCCCC1
MolPort-046-426-227 0.63 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O.C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)O
MolPort-046-153-095 0.63 CC(CCO)CC\C=C(/C)C(O)=O
MolPort-044-727-657 0.63 [Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O
MolPort-003-880-189 0.63 OC(=O)\C=C/C1CCC=CC1
MolPort-039-139-025 0.63 [K+].CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=C)[C@@H]1C\C=C/CCCC([O-])=O
MolPort-002-525-832 0.63 CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-000-733-209 0.63 CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-039-338-083 0.63 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-046-153-169 0.63 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-042-624-491 0.63 C[C@]12CC(=O)C3=C([C@@H](O)CC4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(=C)CCC(O)=O
MolPort-023-274-322 0.62 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)=C
MolPort-046-790-351 0.62 C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@@]12C
MolPort-009-680-371 0.62 CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C
MolPort-027-641-037 0.62 CCCCC\C=C/C=C/C(O)C\C=C/C\C=C/CCCC(O)=O
MolPort-022-365-293 0.62 CC1CCC(=C1)C(O)=O
MolPort-023-276-142 0.62 CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-046-793-261 0.62 C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-793-262 0.62 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MCULE-9358636585 0.62 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-8353986967 0.62 O=C1CCC2(C=C(C(C)(C)C)C(C(C(C)(C)C)=C2)=O)O1
MCULE-9661805986 0.62 C1CC2[C@]([C@H]([C@@H]1O)C)(C)C=C(C(C)=C)C(=O)C=2
MCULE-4240902847 0.62 C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1
MCULE-9116290084 0.62 OC(C=C1C(=O)C2(CCCC2)CC1)=O
MCULE-1814135588 0.62 C1[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](C)(O)C(C=CC(C)(C)O)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C(=O)C=1O
MCULE-8177568528 0.62 C1(=O)C(C2[C@@]([H])(C=C1O)[C@@]1(C)[C@]([H])([C@]3([C@@](CC1=O)(C)[C@@H]([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@H](O)C3)C)CC=2)(C)C
MCULE-5480996294 0.62 O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-4768757628 0.62 CC1CC2C(=C3C(C4C(=O)C(=O)C=42)CC(C)CC3)CC1
MCULE-5535106408 0.62 C1=C[C@]2(C)[C@@]3(O)CC[C@](C)(C=C)C=C3C(=O)C(O)=C2[C@](C)(CO)C1
MCULE-9853941800 0.62 CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-2582517969 0.62 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MCULE-7363650943 0.62 O=C1C=CC2(C)C3C(CC4(C)C(CCC4C3CCC2=C1)=O)=O
MCULE-9549608104 0.62 C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
MCULE-3741444667 0.62 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-9848650209 0.62 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-4676598997 0.62 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-1400269697 0.62 C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
MCULE-3167433007 0.62 O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(C)=O
MCULE-2271099763 0.62 C12CC3C4C(C(O)=O)=C(C(=O)O)C3C1C24
MCULE-6511007969 0.62 C12C(O)C(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
MCULE-5791637196 0.62 C1CCC23CC12C(O)C=CC3=O
MCULE-6072665694 0.62 C12=CC(=O)[C@]3([C@](C)(CC[C@@H](O)C3)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-2878548382 0.62 CC(C(C1CCC1)=O)=CC(O)=O
MCULE-2240327687 0.62 CC1C(C(C(C)=CC(O)=O)=O)C1
MCULE-7087851316 0.62 CC(C(C1C(C)(C)C1)=O)=CC(O)=O
MCULE-5001239003 0.62 C1(C(OC)=O)CC(C)=C(CC=1C(OC)=O)C
MCULE-6393727075 0.62 C12C[C@@H](CC[C@@]1(C)C=CC(=O)C=2C)C(C)=C
MCULE-3533996454 0.62 C(=CC(CCC=C)=O)C1C(C)(C)CCC=C1C
MCULE-7689798420 0.62 CC1(C(=O)C(=CC(O)=O)CC1)C
MolPort-039-101-252 0.62 C[C@@]1(CO)CC=C[C@@]2(C)C1=C(O)C(=O)C1=C[C@](C)(CC[C@]21O)C=C
MolPort-000-772-330 0.62 CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-002-524-552 0.62 CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-001-742-604 0.62 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-035-706-224 0.62 CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-003-666-072 0.62 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-007-980-884 0.62 CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-039-062-015 0.62 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-008-322-980 0.62 CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
MolPort-023-220-126 0.62 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-023-220-689 0.62 C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-001-742-443 0.62 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
MolPort-046-594-326 0.62 CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-001-741-862 0.62 CC1CCC2C(C)(CCC(O)C2(C)C=O)C1CC\C(C)=C/C(O)=O
MolPort-002-507-130 0.62 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-027-835-537 0.62 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-003-800-478 0.62 OC(=O)C1=C(C2C3C4CC2C1C34)C(O)=O
MolPort-002-534-834 0.62 CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-005-943-432 0.62 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-004-964-562 0.62 CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-003-940-883 0.62 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-002-524-727 0.62 CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-939-184 0.62 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-882 0.62 CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-986 0.62 CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C(=O)CC1=O
MolPort-044-183-485 0.62 [2H]C([2H])(CC(O)=O)C([2H])([2H])\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)CCCCC)[C@H](O)CC1=O
MolPort-027-640-881 0.62 CCCCC[C@@](C)(O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-889 0.62 CCCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-878 0.62 CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-875 0.62 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-027-640-874 0.62 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C\CCCC(O)=O
MolPort-027-640-890 0.62 OCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-044-561-509 0.62 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCCCC(O)=O
MolPort-021-783-065 0.62 CCCCCC(O)\C=C\C1C(O)CC(=O)C1C\C=C\CCCC(O)=O
MolPort-027-640-880 0.62 CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-019-931-806 0.62 CC1CCC2C(=CC3C(O)C(C)(C)CC123)C(O)=O
MolPort-044-183-256 0.62 CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-039-139-086 0.62 CCCCC[C@@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-044-561-988 0.62 CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
MolPort-009-018-856 0.62 CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-003-003-246 0.62 CCCCCC(=O)\C=C\C(O)=O
MolPort-009-019-049 0.62 CCCCC\C=C/C\C=C/C\C=C/CCCC\C=C/CCC(O)=O
MolPort-044-561-075 0.62 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-001-766-682 0.62 CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C
MolPort-003-937-818 0.62 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-039-339-172 0.61 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-044-649-596 0.61 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-001-739-551 0.61 CCCCC\C=C/C\C=C/C(O)CC(O)CCCCC(O)=O
MolPort-035-706-218 0.61 C[C@H]1CCC[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O
MolPort-027-640-976 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
MolPort-003-940-710 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
MolPort-042-675-446 0.61 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(O)CC(O)C12C
MolPort-039-338-122 0.61 C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O
MolPort-003-811-448 0.61 OC1=CC(=O)C2C3CC(C=C3)C12
MolPort-002-526-459 0.61 C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
MolPort-046-765-694 0.61 C[C@H]1C[C@H]2C3CC[C@](O)(C(O)=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
MolPort-019-937-247 0.61 CCCCCCCCCCCCC(O)\C=C\CCC(O)=O
MolPort-046-426-804 0.61 [2H]C1([2H])C[C@H]2[C@@H]3CC(=C)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])O
MolPort-038-385-990 0.61 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(O)=O
MolPort-046-690-047 0.61 C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-002-508-860 0.61 CC(C)=CC\C=C1/CC[C@@H]([C@@H](C1)C(O)=O)C(O)=O
MolPort-001-989-180 0.61 CC1C(C(C(C=C(C)C)C=C1C)C(O)=O)C(O)=O
MolPort-002-161-277 0.61 CC(C)=CC\C=C1/CCC(C(C1)C(O)=O)C(O)=O
MCULE-7444972832 0.61 C(O)(=O)CCC/C=C1/C[C@@]2([H])[C@@]([H])(C/1)C[C@@H](O)[C@@H]2/C=C/[C@@H](O)CCCCC
MCULE-4887777095 0.61 C1=CC2C3C=CC3C1C=C2CO
MCULE-7173744939 0.61 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
MCULE-1479199763 0.61 C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
MCULE-5926783574 0.61 C1C(O)C2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-2410702763 0.61 C(O)(=O)CCCCC(O)CC(/C=C\C/C=C\CCCCC)O
MCULE-6346527900 0.61 C1(O)C2C3CC(C=C3)C2C(=O)C=1
MCULE-4113416417 0.61 [C@]12(C)C[C@H](O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
MCULE-5860324516 0.61 C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@](O)(C(O)=O)[C@@]3(C)C[C@@H]([C@]21[H])O)C
MCULE-8448416534 0.61 C1(CCC)C(=O)C(O)=C(C(=O)C=1O)CCC
MCULE-3225619905 0.61 C1(C(=O)C=CC(=O)C=1)C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=CCC[C@@H]12)C
MCULE-6999802308 0.61 C(O)(C=CC1CC2CC1C=C2)=O
MCULE-9968407696 0.61 OC(C=C1C(=O)C2(CCCCC2)CC1)=O
MCULE-2021957290 0.61 C(C)CCCCCCCCCCC(O)/C=C/CCC(=O)O
MCULE-6560423282 0.61 [C@H]1(CC(CC[C@@H]1C(O)=O)=CC/C=C(/C)\C)C(O)=O
MCULE-3865951643 0.61 C1(C(O)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
MCULE-9075563464 0.61 O=C1C2C(CC(O)=O)CC(C=2C(C)(C)CC1)=O
MCULE-1831569032 0.61 C1(CC(CCC1C(O)=O)=CC/C=C(\C)/C)C(O)=O
MCULE-5037820521 0.61 C1C(CC2(O)C=C(C3C21C(C)CC3)C(=O)O)(C)C
MCULE-4717107137 0.61 C12C(C)=CC(=O)C1=C(C)CCC(C(C)C(O)=O)C=2
MCULE-4479552484 0.61 C12C(C)=CC(=O)C1=C(C)CC[C@@H]([C@H](C)C(O)=O)C=2
MCULE-1300552918 0.61 C1(C(OC)=O)C2C(C3CC2C=C3)C=1C(OC)=O
MCULE-5214801115 0.61 C1(C(C)(C)C)=CC(=O)C=C(C(C)(C)C)C1=O
MCULE-6490731029 0.61 C1(CC)=CC(C=C(CC)C1=O)=O
MCULE-2093338891 0.61 C1(=O)/C(=C2\CCCC\2)/CC/C/1=C1\CCCC\1
MCULE-5817153512 0.61 C1(=O)C(C(C)C)=CC(=O)C=C1C(C)C
MCULE-1918074338 0.61 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-6957829896 0.61 [C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
MCULE-6132152847 0.61 [C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
MCULE-5376882383 0.61 C[C@@H]1C2=CC(C=C[C@]2(C)[C@@H]2[C@H]([C@H]3[C@](C)(C[C@@H]2O)[C@@](O)(C(CO)=O)CC3)C1)=O
MCULE-4494327817 0.61 C1(=O)C=CC2(C)C3C(O)CC4(C)C(O)(C(=O)CO)C(C)CC4C3CCC2=C1
MCULE-1821855723 0.61 C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
MCULE-3979294448 0.61 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-4167735225 0.61 C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
MCULE-5396685230 0.61 C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
MCULE-1963273832 0.61 [C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)C[C@@H](C)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MCULE-5643440248 0.61 [C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
MCULE-4797309594 0.61 [C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO)C)C)O
MCULE-4964860916 0.61 C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
MCULE-1655274985 0.61 C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
MCULE-9660893096 0.61 C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-8934838036 0.61 C12(C)C=CC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(CO)=O)CC(O)C21)C)=O
MCULE-5764697777 0.61 C1=CC2(C)C3C(C4CCC(O)(C(=O)CO)C4(CC3O)C)CC(C)C2=CC1=O
MCULE-4479203479 0.61 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-6519818800 0.61 [C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(O)C(CO)=O)C[C@H](O)[C@]21[H])[H])C)=O
MCULE-8466128773 0.61 [C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-3121556913 0.61 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-4302162977 0.61 C1C(C)(C)C(O)(/C=C/C(=C/C(OC)=O)/C)C(C)=CC1=O
MolPort-039-338-128 0.61 C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-039-138-882 0.61 CCCCC\C=C\C=C1\C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-691-151 0.61 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
MolPort-035-669-066 0.61 CC(C1CCC(C)=C2C(=O)C=C(C)C2=C1)C(O)=O
MolPort-002-523-881 0.61 C[C@@H]([C@@H]1CCC(C)=C2C(=O)C=C(C)C2=C1)C(O)=O
MolPort-002-720-719 0.61 O=C1C(CCC1=C1CCCC1)=C1CCCC1
MolPort-002-904-388 0.61 CCC1=CC(=O)C=C(CC)C1=O
MolPort-046-788-543 0.61 CCCCC(O)\C=C\C(O)=O
MolPort-000-141-928 0.61 CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
MolPort-023-279-166 0.61 CC(C)C1=CC(=O)C=C(C(C)C)C1=O
MolPort-035-706-314 0.61 CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-002-841-841 0.61 CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
MolPort-046-688-079 0.61 CC(C1CC=C(C)C(=O)C1)C(O)=O
MolPort-003-925-864 0.61 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC
MolPort-028-745-366 0.61 CC(C)=CCCC1=CCC(CC1)C(O)=O
MolPort-046-761-478 0.61 [2H]C1([2H])[C@@]([2H])(O)[C@H]2[C@@H](C[C@H](C)C3=CC(=O)C=C[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-001-741-221 0.61 C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O
MolPort-039-338-665 0.61 CC(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-068-912 0.61 CC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-713-158 0.61 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
MolPort-000-728-523 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
MolPort-039-338-963 0.61 C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
MolPort-002-527-775 0.61 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-046-766-235 0.61 C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@@H]21)C=O
MolPort-044-561-113 0.61 C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
MolPort-001-741-219 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-002-508-947 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-000-743-133 0.61 C[C@H]1CC2C3CC[C@](O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
MolPort-002-328-797 0.61 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
MolPort-002-507-412 0.61 C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-693-458 0.61 CC(C)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-067-789 0.61 CC(C)(O)CC[C@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4C[C@H](O)C(O)C[C@]4(C)C3CC[C@]12C
MolPort-002-507-287 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-507-147 0.61 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-054-510 0.61 CC(C)(O)CC[C@@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-006-822-587 0.61 CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-020-005-976 0.61 C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-668-920 0.61 CC12CC(O)[C@H]3C(CCC4=CC(=O)C=CC34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-027-640-887 0.61 C[C@@H](O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-974 0.61 CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-009-198-792 0.61 C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-003-933-119 0.61 C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-009-019-228 0.61 OC(CC1CCCCC1)\C=C\[C@H]1C(O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-002-528-554 0.61 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-027-853-691 0.61 CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-030-042-338 0.61 CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
MolPort-005-933-631 0.61 C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-008-322-993 0.61 CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-039-138-875 0.61 C[C@@H](O)CCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-035-924-389 0.61 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO
MolPort-020-005-977 0.61 C[C@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-021-804-511 0.61 CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO
MolPort-042-675-454 0.61 COC(=O)\C=C(/C)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
MolPort-003-660-954 0.61 CC(C)C1=C(O)C(=O)C2=C([C@H](O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O
MolPort-046-765-580 0.61 C[C@H]1CC2=C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1(O)C(=O)C=O
MolPort-044-724-154 0.60 CCCCCC=CCC=CCCCCCCCC(O)=O
MolPort-003-940-987 0.60 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-001-740-230 0.60 CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-941-054 0.60 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-003-941-261 0.60 CCCCC\C=C\C\C=C\CCCCCCCCCC(O)=O
MolPort-046-202-887 0.60 CCC1(C)CC(=C1)C(O)=O
MolPort-001-780-227 0.60 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O
MolPort-046-683-522 0.60 CCCCC\C=C\C\C=C\C\C=C\C\C=C/CCCCCC(O)=O
MolPort-003-937-817 0.60 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-044-727-764 0.60 CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
MolPort-003-933-184 0.60 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
MolPort-006-113-817 0.60 CCC=CCC=CCC=CCCCCCCCC(O)=O
MolPort-009-018-939 0.60 [2H]C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-039-052-505 0.60 C\C(CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C)=C/C(O)=O
MolPort-027-641-365 0.60 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCCCCC(O)=O
MolPort-035-882-164 0.60 CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-001-788-459 0.60 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-001-740-962 0.60 CCC(O)C(O)\C=C/C\C=C/CCCCCCCCC(O)=O
MolPort-044-183-418 0.60 [Ca++].CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@]2(C)C\C(C[C@H]12)=C/CCCC([O-])=O.CCCCC[C@H](O)\C=C/[C@H]1[C@H](O)C[C@]2(C)C\C(C[C@H]12)=C\CCCC([O-])=O
MolPort-019-936-761 0.60 CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C
MolPort-027-853-556 0.60 CC(O)CCC\C=C\C1CC(O)CC1C(O)\C=C\C(O)=O
MolPort-001-600-015 0.60 CCC(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-046-765-127 0.60 C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)=O
MolPort-002-145-995 0.60 CC(C)CC(C1=C(O)CCCC1=O)C1=C(O)CCCC1=O
MolPort-001-795-358 0.60 CC1(C)CC(O)=C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
MolPort-039-339-169 0.60 C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
MolPort-002-991-338 0.60 CC(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-001-740-351 0.60 CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-000-861-080 0.60 CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
MolPort-001-740-352 0.60 C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-005-944-708 0.60 C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
MolPort-039-338-398 0.60 C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-046-697-317 0.60 CC(C)C1CC(O)C2(C)CCC3(CO)CC4=C(CCC4C4(C)CC4C3C12)C(O)=O
MolPort-001-741-118 0.60 C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-021-804-810 0.60 CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-022-366-754 0.60 CCC\C(=C\CC)C(O)=O
MolPort-001-742-304 0.60 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-046-588-250 0.60 CCC\C(=C/CC)C(O)=O
MolPort-022-375-323 0.60 C\C(CC\C=C(/C)C(O)=O)=C/CO
MolPort-001-742-412 0.60 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-044-649-708 0.60 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-001-779-768 0.60 CC(C)C1=CC(=O)C(C)=CC1=O
MolPort-001-817-082 0.60 CC1=CC(=O)C(=CC1=O)C(C)(C)C
MolPort-003-932-638 0.60 CC(C)(C)C1=CC(=O)C=CC1=O
MolPort-003-850-019 0.60 CCCC(=CCC)C(O)=O
MolPort-038-386-656 0.60 CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-039-052-644 0.60 CC1=C2C[C@@](O)(CC[C@@]2(C)C=CC1=O)C(C)(C)O
MolPort-039-338-302 0.60 C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-005-944-839 0.60 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\C(CO)=C\C(O)=O
MolPort-009-019-195 0.60 CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)OCC
MCULE-8429170945 0.60 C1C(CC(O)=O)C(C=C)CC=1
MCULE-2605863241 0.60 C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-9209606443 0.60 C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-8836163795 0.60 C12CC3CC4CC5C(=O)OC(=O)C=5CC=4CC=3CC=1C(OC2=O)=O
MCULE-7110535304 0.60 C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
MCULE-4046520863 0.60 [C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MCULE-6686022329 0.60 C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
MCULE-1844358842 0.60 [C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
MCULE-5208181398 0.60 C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
MCULE-3985606919 0.60 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
MCULE-9449984869 0.60 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-6987941164 0.60 C1(C(C)(C)C)=CC2(CCCC2)C=C(C(C)(C)C)C1=O
MCULE-5335097568 0.60 C(O)(=O)C=CCCCCCC(C)=O
MCULE-1076344451 0.60 [C@]12(C)C(=O)C=C[C@@]1(C)C=CC2=O
MCULE-8490201471 0.60 C1(CC=CCC)C(=O)CCC=1C
MCULE-7452592467 0.60 C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-6744252540 0.60 C1(=O)CC(CC=C1C)C(C)=C
MCULE-7861636306 0.60 C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-6489078705 0.60 C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1
MCULE-2459463798 0.60 C1(C/C=C\CC)C(=O)CCC=1C
MCULE-1952094862 0.60 O=C1CCC(C)=C1C/C=C/CC
MCULE-8076747851 0.60 O=C1C(C)(CC=C)C(C)C=C1CC=C
MCULE-1451736151 0.60 C1(C(=CC[C@H](C(C)=C)C1)C)=O
MCULE-9393485042 0.60 C(OC)(C1C23C=CC=CC42C(=C(C4C(C3)C=1C(OC)=O)C(OC)=O)C(OC)=O)=O
MCULE-1410261429 0.60 CC(C1CC(=CC(O)=O)C(=O)CC1)(C)C
MCULE-4653646367 0.60 C(CCCCCCCC=CCC=CCCCCC)(O)=O
MCULE-6594867113 0.60 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-4209942909 0.60 C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
MCULE-1893075589 0.60 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-9838503328 0.60 OC(C=C1C(=O)CCCCC1)=O
MCULE-4905768266 0.60 OC(C=CC(C1CCCC1)=O)=O
MCULE-3226283664 0.60 CC1CC(=O)C(=CC(O)=O)C(C)C1
MCULE-9671518710 0.60 C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
MCULE-8993774901 0.60 CCCC1CC(=CC(O)=O)C(=O)CC1
MCULE-9405390567 0.60 C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
MCULE-1597987834 0.60 CC(C(C1CCCC1)=O)=CC(O)=O
MCULE-4434409577 0.60 CC(C1CC(=CC(O)=O)C(=O)CC1)C
MCULE-2820125963 0.60 CC1CC(=CC(O)=O)C(=O)CC1
MCULE-3617164163 0.60 CC1(CC(=CC(O)=O)C(=O)CC1)C
MCULE-1109890298 0.60 CCC1CC(=CC(O)=O)C(=O)CC1
MCULE-9082869288 0.60 CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
MCULE-7286438796 0.60 CC1(C(=O)C(=CC(O)=O)CCC1)C
MCULE-8042162865 0.60 C(CCCCCCCC=CCC=CCC=CCC)(O)=O
MCULE-8966822686 0.60 OC(C=CC(C1C2CCC(CC2)C1)=O)=O
MCULE-8312923448 0.60 C12CCCC(=O)C=1CC(C(=O)O)CC2
MCULE-2637255261 0.60 C1C2C=CC3C(C(O)=O)C(C23)C=1
MCULE-9915754968 0.60 CC(CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O)O
MCULE-9310117393 0.60 C1CC2(C)C3CCC(C)(C=C)C=C3C(O)CC2C(C(=O)O)(C)C1
MCULE-4442751651 0.60 C1=CC2C(O)C1C1C(=O)C=CC12
MCULE-7436540606 0.60 C1(C(=O)CC(CC=1O)(C)C)CC1C(=O)CC(CC=1O)(C)C
MCULE-3585820925 0.60 C1(C(CCCC=1O)=O)C(CC(C)C)C1C(CCCC=1O)=O
MCULE-7919759875 0.60 CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
MCULE-8472407044 0.60 CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
MCULE-4758818217 0.60 O=C1C=CC(C2C(C=CCC21)C(O)=O)=O
MCULE-4587868817 0.60 CC1(C(=O)CC[C@@]2(C)C1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O)\C)O)C)CC3=O)(C)CC(=O)C=12)=O)C
MCULE-3044681837 0.60 CCOC(C1=CC2CCC1C=C2)=O
MCULE-5299016353 0.60 C1=C[C@]2(C)CC[C@](C(O)(C)C)(O)CC2=C(C)C1=O
MCULE-2078234899 0.60 C1(=O)C2[C@](C(C)=C1)([H])C[C@@]1([C@]([H])([C@H](CC1)[C@@H](C)/C=C\C=C(\C)/C)CC=C2CO)C
MCULE-7172594390 0.60 C1C[C@@]2([H])[C@@](CC[C@H]([C@]2(C)CC/C(=C/C(=O)O)/CO)C)(C(CO)=C1)C
MCULE-5207883585 0.60 C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C
MCULE-5773428311 0.60 C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-4819154807 0.60 C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-9899033250 0.60 C1(=O)C(C)=CC(=O)C(C(C)C)=C1
MCULE-2653535248 0.60 C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MCULE-4241274271 0.60 C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-7681373121 0.60 OC(C1CCC(=O)C=1)=O
MCULE-1455068472 0.60 C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
MCULE-4576776987 0.60 C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
MCULE-5433016497 0.60 C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C(C)(C)C
MCULE-4292831881 0.60 C(=O)(O)/C(/C)=C/CC/C(/C)=C/CO
MCULE-8682863565 0.60 C1(C(C)(C)C)C(=O)C=CC(=O)C=1