SANC00525 Eucosterol




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-7639346141 0.87 C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
MolPort-035-706-373 0.87 CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1
MolPort-035-706-372 0.85 CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1
MCULE-4986901322 0.85 C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MCULE-5515322675 0.80 C12(C(CC)=O)C3CC(C=C3)C1C(C1OC12)=O
MolPort-003-800-383 0.80 CCC(=O)C12C3OC3C(=O)C1C1CC2C=C1
MCULE-2665777576 0.79 CC1C(C2C=CCCC2)C(=O)CO1
MCULE-2704621203 0.78 O=C(C12COCC1C2)CC1CCCC=1
MCULE-1853994027 0.78 CC1(C(C2C=CCCC2)(C=O)CCO1)C
MCULE-2555944797 0.78 CC1C(C2C=CCCCCC2)C(=O)CO1
MCULE-4854708910 0.77 CC1(C(=O)C(CC2CC=CCC2)CO1)C
MCULE-2664519273 0.77 O=C1C(CC2C3C=CC(CC3)C2)COC1
MCULE-3930781117 0.76 O=C(C12COCC1C2)C1CCCCC=1
MCULE-7060204243 0.76 CC1C(CCC2CCCCC=2)C(=O)CO1
MCULE-8374344586 0.76 O=C1C(CCC2CCCCC=2)COC1
MolPort-009-015-246 0.75 COC(=O)CC[C@]1(C)[C@H]2CCC[C@H]3COC[C@@]23C(=O)C=C1C
MCULE-9612148440 0.75 O=C1C(CC2CC=CCC2)COC1
MCULE-7641008425 0.75 CC1C(CC2CC=CCC2)C(=O)CO1
MCULE-4238406785 0.75 CC1C(CC2CCCC=2)C(=O)CO1
MCULE-6360105150 0.75 O=C1C(CC2CCCC=2)COC1
MCULE-2591985853 0.74 CC1(C(CC2CC=CCC2)=O)OCCC1
MCULE-1292561691 0.74 CC1C(C(CC2CC=CCC2)=O)OCC1
MCULE-2321781017 0.74 CC1OC(C(CC2CC=CCC2)=O)CC1
MCULE-7422457609 0.74 CC1(C(C(C2CCCCC=2)=O)CCO1)C
MCULE-7694957039 0.74 O=C1CCC(OCC2CC=CCC2)CC1
MCULE-2187659696 0.74 O=CC1(COCC1)CC1CC=CCC1
MCULE-5727001856 0.74 O=C(C12COCC1C2)C1CCCCCC=1
MCULE-9407663226 0.74 O=C(C12COCC1C2)C1CCCC=1
MolPort-001-740-108 0.74 COC(=O)[C@@]12C(=O)C(C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@H](CC[C@@]12C=O)OC(C)=O
MolPort-002-510-983 0.73 COC(=O)CC1(C)OC2CCCCC2C2C=CCCC12
MCULE-8899661988 0.73 O=C(C12COCC1C2)CC1CC=CCC1
MCULE-4966336591 0.73 C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
MCULE-7405954364 0.73 [C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
MCULE-9144922088 0.73 C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
MCULE-5591099284 0.73 [C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)[H]
MCULE-9090867563 0.73 [C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
MCULE-6649407342 0.73 C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
MCULE-5302779679 0.73 CC1OCC(C(CC2CC=CCC2)=O)C1
MCULE-7840184850 0.73 CC1C(C(CC2CC=CCC2)=O)CCO1
MolPort-039-338-911 0.73 CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-028-610-012 0.73 CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-002-527-432 0.73 CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-509-911 0.73 CC(=O)[C@@]12O[C@]1(C)CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-046-596-330 0.73 CC(=O)[C@@]12CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@@H]1O2
MolPort-001-512-553 0.73 CC(=O)C12OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-002-525-601 0.73 CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-506-867 0.73 CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-007-980-841 0.73 CC(=O)[C@@]12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@@H]1O2
MolPort-003-958-863 0.73 CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-000-707-481 0.73 CC(=O)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-021-804-634 0.72 COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C
MolPort-001-739-561 0.72 COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C(CCC12C=O)OC(C)=O
MCULE-3995180038 0.72 O=C(C12C(C(=CC3C1(C)CCC1C(C)(C)C(OC(=O)C)CCC13C=O)C)(C)C(=O)C(O)(C)C2=O)OC
MolPort-039-052-567 0.71 C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MCULE-7217652406 0.71 C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
MCULE-6499922066 0.71 C12C(=O)C3C4CC(C=C4)C3C(=O)C1O2
MCULE-1095043105 0.71 C12(C)C(=O)C3C4CC(C=C4)C3C(=O)C1O2
MCULE-1107229357 0.71 O=CC1(C2OC(CC2)C1)CC1CC=CC1
MCULE-3359428604 0.71 C/C(/C)=C/CCC1C(=O)C(C)(C)OC1
MCULE-3728655247 0.71 O=CC1(COCCC1)CC1CC=CCC1
MCULE-6024570055 0.71 CC1(C(=O)C(CC2CC=CC2)CO1)C
MCULE-6797419887 0.71 C12(CCC3(C)CC4C(O)(C)CC(=O)C4C(C=O)=CCC13)C(C)CC(/C=C(\C)/C)O2
MCULE-6168081491 0.71 OC(C1(C2CCCCC=2)COCC1)=O
MCULE-7040093693 0.71 C1CC2(C)C3C=C(C)C4(C)C(=O)C(O)(C)C(=O)C4(C(OC)=O)C3(C)CCC2C(C)(C)C1O
MCULE-5501928946 0.71 C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
MolPort-001-762-287 0.71 O=C1C2OC2C(=O)C2C3CC(C=C3)C12
MolPort-003-009-842 0.71 CC12OC1C(=O)C1C3CC(C=C3)C1C2=O
MolPort-042-675-260 0.71 COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C3(C)CCC(O)C(C)(C)C3CCC21C
MolPort-003-959-064 0.71 C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12)C=C(C)C
MolPort-044-755-244 0.71 CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C(C)(C)C)[C@@H]3CC=C2C1
MolPort-003-941-230 0.70 CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C
MCULE-7427942194 0.70 C(C1CCCC=C1)(=O)C(OCC)OCC
MCULE-2091190347 0.70 OC(C1(OCCC1)CC1CC=CCC1)=O
MCULE-8676134264 0.70 O=C(C1C2OC(CC2)C1)CC1CC=CC1
MCULE-3820122483 0.70 OC(C1(COCC1)CC1CC=CCC1)=O
MolPort-046-596-327 0.69 CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-035-706-526 0.69 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@]5(C)C[C@H](OC5=O)[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-002-509-553 0.69 CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-000-720-153 0.69 CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-002-506-983 0.69 CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-002-525-721 0.69 CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
MolPort-020-005-756 0.69 C[C@]12C[C@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
MolPort-042-644-562 0.69 CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-001-828-137 0.69 CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-002-526-864 0.69 CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MCULE-1401500807 0.69 O=C1C(CC2CC=CCC2)COCC1
MCULE-6412555386 0.69 [C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
MCULE-8016431488 0.69 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
MCULE-7409296969 0.69 [C@@]12(C(C)=O)O[C@]1(C)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
MCULE-3655751389 0.69 [C@]12(O[C@@H]1C[C@@]1([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C)C(=O)C
MCULE-4825273969 0.69 [C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
MCULE-8460337326 0.69 C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
MCULE-8874070727 0.69 C1[C@@]2(O[C@@H]2C/C(=C(/C)\C)/C(=O)CC(C)=CC1)C
MCULE-4840679686 0.69 C1(=O)[C@]2(O[C@]3(O)[C@]([C@@](CC/C=C(/C)\C)(C)[C@@H](C/C=C(\C)/C)C[C@]13C/C=C(\C)/C)(C(=O)C(C)C)C2=O)C/C=C(\C)/C
MCULE-8365402403 0.69 C1[C@@]23CC/C(=C(/C)\C)/C2CC[C@@](C(O)=O)(O)[C@@H]1OC3
MCULE-4960489764 0.69 C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
MCULE-7433867323 0.69 C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
MolPort-046-158-426 0.69 CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O
MolPort-046-153-738 0.69 CC(C)=C1C[C@H]2O[C@@]2(C)CC\C=C(C)/CC1=O
MolPort-035-706-103 0.69 CC(C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)O[C@@]1(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C)C3=O
MolPort-001-739-263 0.69 CC(C)=C1CC[C@]23CO[C@H](C2)[C@](O)(CCC13)C(O)=O
MolPort-046-689-506 0.69 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-038-386-485 0.69 CC[C@H](C)C(=O)O[C@H]1CCCC2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-046-693-707 0.69 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC1OCC(=O)[C@]21O
MolPort-023-278-923 0.68 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(=O)CO2)[C@H]13
MolPort-044-723-377 0.68 C[C@H](CC(=O)C(=C)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3
MCULE-7657515197 0.68 [C@]12(O)C(=O)COC1CC1C3CCC4=CC(CC[C@]4(C)C3CC[C@]21C)=O
MCULE-9858855246 0.68 O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
MCULE-6421717076 0.68 O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
MCULE-7563615671 0.68 CC1OC(C(CC2CC=CC2)=O)CC1
MCULE-8553860527 0.68 C12(C3C4C5C(C1OC1C5C3CC1)C1C3CC=CC3C2C14)C=O
MCULE-5393900833 0.68 C(C)(=O)OC1CCC2(C)C3(C4C(OC(C4C4(C5CCC(C(C)C=CC(C)C(C)C)C5(C)CCC42[H])C=C3)=O)=O)C1
MCULE-3416493799 0.68 CC1C(CC/C=C(\C)/C)C(=O)CO1
MCULE-8416626381 0.68 C/C(/C)=C/CCC1C(=O)COC1
MCULE-7810067739 0.68 O=CC1(COCC1)CC1CC=CC1
MCULE-8887971464 0.68 CC1(C(C=O)(CC2CC=CC2)CCO1)C
MCULE-5783941091 0.68 O=C(OCC1CC=CCC1)CCC1OCCC1
MCULE-5246840558 0.68 [C@]12(C(CO)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
MCULE-6377062249 0.68 OC(C=CC(C1C2OC(CC2)C1)=O)=O
MCULE-2660227283 0.68 C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
MCULE-5549232456 0.68 [C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
MCULE-1085736388 0.68 C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O
MolPort-046-596-261 0.68 C[C@@H]1CC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-035-706-364 0.68 CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
MolPort-039-338-282 0.68 CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
MolPort-028-247-126 0.68 O=C(CCC1CCCO1)OCC1CCC=CC1
MolPort-002-529-818 0.68 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H]1O[C@@]21C(=O)CO
MolPort-002-510-498 0.68 C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-010-969-194 0.68 CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
MolPort-006-127-434 0.67 CC(=C)[C@@H]1C[C@H]2O[C@@]2(C)C(=O)C1
MolPort-045-999-251 0.67 CC(=C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)C1
MolPort-035-678-160 0.67 O=C1C2COCC1C=CC2
MCULE-4242284738 0.67 C12(CCC(C3C(=O)OC(=O)C13)C=C2)C(=O)O
MCULE-2616985564 0.67 [C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
MCULE-7005966850 0.67 O=C(CCC(=O)OCC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@]([C@H](C2)O)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)O)O
MCULE-2841725041 0.67 O=C(C1C2C1COC2)CC1CC=CCC1
MCULE-9320911552 0.67 CCC(C(O)C(C(=O)C(C)/C=C(/CC(C(C(C(=O)OC)C)O)C)\C)C)C
MCULE-6906348244 0.67 C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O
MCULE-8822838184 0.67 C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
MCULE-8166977907 0.67 O=C(OCC1CC=CCC1)CC1CCCC1
MCULE-2122796304 0.67 C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
MCULE-2127723525 0.67 [C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
MCULE-6657834214 0.67 CC1C(C(CC2CC=CC2)=O)OCC1
MCULE-6952577518 0.67 C[C@@]12[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@@H]1[C@@H](O)C2
MCULE-2103729807 0.67 C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC(O)=O)=O)[H]
MCULE-3632084054 0.67 C123CCC(=O)C1C1C(=O)CCC1(O2)C=C3
MCULE-5107744915 0.67 CC1(C(CC2CC=CC2)=O)OCCC1
MCULE-4168657248 0.67 [C@H]1(CCC(=O)CCCCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
MolPort-003-850-810 0.67 CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
MolPort-002-528-277 0.67 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-046-690-464 0.67 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-027-640-939 0.67 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
MolPort-002-507-007 0.67 C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-044-650-183 0.67 OC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
MolPort-019-990-913 0.67 CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)OC(C)C
MolPort-030-042-294 0.67 CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O
MolPort-028-196-343 0.67 O=C(CC1CCCC1)OCC1CCC=CC1
MolPort-035-706-363 0.67 CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
MolPort-046-761-511 0.66 CC12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
MolPort-027-835-567 0.66 O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C=C1
MolPort-020-005-743 0.66 CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-035-769-790 0.66 O=C1OC(=O)C2C1[C@H]1CC[C@@H]2C=C1
MolPort-046-594-234 0.66 CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
MolPort-001-764-908 0.66 O=C1OC(=O)C2C1C1CCC2C=C1
MolPort-002-516-481 0.66 CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)OC1=O
MolPort-000-734-484 0.66 CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C2CC1C1C3C(=O)OC1=O
MolPort-044-562-376 0.66 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3)C(O)=O
MolPort-006-069-345 0.66 CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
MCULE-2182894320 0.66 CC(OC(CCC(C(O)(C1C2(C)CC(C3(C)C4CC(O)C(O)C(C)(C)C4=CCC3C2(C)CC1O)=O)C)=O)(C)C)=O
MCULE-9824682578 0.66 [C@@]12(C)C[C@H]([C@]([H])([C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3(C(C(C)(C)[C@@H]([C@@H](O)C3)O)=CC[C@]12[H])[H])O
MCULE-4138416849 0.66 C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)=O
MCULE-2769077006 0.66 C1CC23CC(C)(C)CC2(C(=O)OC3=O)CC=1
MCULE-5454494701 0.66 C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
MCULE-8868589151 0.66 C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
MCULE-9103372368 0.66 C1(=O)C2C3CCC(C=C3)C2C(=O)O1
MCULE-1795899971 0.66 C1CC23C(=O)OC(=O)C2(CCC3)CC=1
MCULE-8776636782 0.66 C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
MCULE-8457539977 0.66 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
MCULE-1087443932 0.66 C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
MCULE-2122490766 0.66 C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
MCULE-5053755296 0.66 C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
MCULE-8924549531 0.66 C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
MCULE-8274191901 0.66 [C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
MCULE-8629208814 0.66 O=CC1(CCOCC1)CC1CC=CCC1
MCULE-4910019179 0.66 CCC(CC1C(=O)COC1)=C
MCULE-8460518853 0.66 CCC(CC1C(=O)COC1C)=C
MCULE-7706016137 0.66 [Na+].[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O)O
MCULE-9801896855 0.66 O=C(C12COCC1C2)C1OCCCC=1
MCULE-1684395189 0.66 C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
MCULE-7583261760 0.66 C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC([O-])=O)=O)[H].[Na+]
MCULE-4484538949 0.66 C1C[C@]2(C)C3[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)COC(CCC)=O)CCC4C3CCC2=CC1=O
MCULE-5966997792 0.66 [C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
MCULE-4329306127 0.66 C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1)C
MCULE-5307843642 0.66 C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@H](O)C[C@@]2(C)[C@@]3([H])CC[C@]2(O)C(COC(=O)CCC)=O)=CC(=O)C1
MCULE-1729468181 0.66 C1=CC2C3CC(=O)C3C1C1C(=O)OC(=O)C12
MCULE-7155641625 0.66 C(=O)(OC1CC2CC1CC2)C1C(C(O)=O)C2CC1C=C2
MCULE-9897298185 0.66 C12C(C(=O)OC1=O)C13CCCCC1=CC2C1C(=O)OC(=O)C31
MCULE-3232378757 0.66 C12(C)C=C(C)C(C3C(OC(=O)C13)=O)C1C(OC(=O)C21)=O
MCULE-2602485743 0.66 C123CC(C)CCC1=C(C(C1C(OC(=O)C21)=O)C1C(OC(=O)C31)=O)C
MCULE-7484851551 0.66 [C@]12(CC[C@@](CC(=O)O)(C)O1)C(C)=CCC1[C@@]2(CCCC1(C)C)C
MCULE-6875559589 0.66 C1(OC(C)=O)(CCC2C3C(C4CCC(CC4=CC3)C(OC)=O)CCC12)C(=O)COC(C)=O
MCULE-3458261213 0.66 C12C3C(=O)OC(=O)C3C(C3C1C(=O)OC3=O)C=C2
MCULE-8638278493 0.66 O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
MCULE-9975844805 0.66 O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
MCULE-8772466243 0.66 C1CC23CCOC(=O)C2(CCCC3)CC=1
MCULE-1988011337 0.66 CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
MCULE-1480805765 0.66 CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-5029800865 0.66 CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
MCULE-1316925332 0.66 CC(OC(C1C2C=CC(CC2)C1)=O)C
MCULE-3460278496 0.66 C12CCC(C=C1)CC2C(OCC)=O
MCULE-9697672273 0.66 CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
MCULE-2014910866 0.66 CC(C(C12COCC1C2)=O)=C
MolPort-046-790-507 0.66 C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@@]12C
MolPort-003-941-625 0.66 [NaH].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-046-761-619 0.66 [Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O
MolPort-039-052-437 0.66 CC1[C@H]2C[C@]3([C@@H](CC2)[C@@]2(COC3=O)[C@H](C=O)C(C)(C)C=CC2=O)C1=O
MolPort-044-728-864 0.66 [Na+].C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]34C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC([O-])=O
MolPort-046-697-238 0.66 CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
MolPort-023-278-236 0.66 [Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O
MolPort-002-819-159 0.66 COC(=O)C1CCC2C3CCC4C(CCC4(OC(C)=O)C(=O)COC(C)=O)C3CC=C2C1
MolPort-000-145-850 0.66 CC1=CC2(C)C3C(C1C1C2C(=O)OC1=O)C(=O)OC3=O
MolPort-002-088-576 0.66 OC(=O)C1C2CC(C=C2)C1C(=O)OC1CC2CCC1C2
MolPort-006-118-258 0.66 CCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-001-741-109 0.66 CC1=CCC2C(C)(C)CCC[C@]2(C)[C@@]11CC[C@](C)(CC(O)=O)O1
MolPort-046-596-362 0.66 CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
MolPort-001-766-634 0.66 CC1CCC2=C(C)C3C4C(C(=O)OC4=O)C2(C1)C1C3C(=O)OC1=O
MolPort-006-111-530 0.66 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
MolPort-001-764-881 0.66 O=C1OC(=O)C2C1C1C=CC2C2C1C(=O)OC2=O
MolPort-001-739-620 0.65 CC(C)(O)C1=CCC23COC(C2)C(O)(CCC13)C(O)=O
MolPort-044-649-740 0.65 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-039-144-848 0.65 O=C1OC(=O)C2[C@H]3C[C@@H](C=C3)C12
MolPort-000-860-893 0.65 O=C1OC(=O)C2C3CC(C=C3)C12
MolPort-006-069-223 0.65 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-004-956-447 0.65 O=C1OC(=O)[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12
MolPort-006-109-285 0.65 O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12
MolPort-039-052-478 0.65 CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@H]2O[C@@]2(C)CC1=O
MolPort-023-220-384 0.65 O=C1OC(=O)C2[C@@H]3C[C@@H](C=C3)C12
MolPort-044-723-995 0.65 C[C@@]12[C@H]3C[C@H](C=C3)[C@@H]1C(=O)OC2=O
MolPort-044-729-631 0.65 C[C@]12[C@@H]3C[C@@H](C=C3)[C@H]1C(=O)OC2=O
MolPort-046-156-417 0.65 C[C@@]12C[C@@H](OC1=O)[C@]1(C)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]1C2
MolPort-001-963-974 0.65 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
MolPort-035-946-559 0.65 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
MolPort-000-208-022 0.65 CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-385 0.65 CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
MolPort-039-338-712 0.65 C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MCULE-5708210639 0.65 C1C23COC(C2)C(C(O)=O)(O)CCC3C(C(O)(C)C)=C1
MCULE-7378412710 0.65 C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CC(OCCC(O)=O)=O
MCULE-9368478699 0.65 O=C1[C@]2([H])[C@]([C@@]3(C=C[C@@]2([H])C3)[H])(C)C(=O)O1
MCULE-1594866763 0.65 [C@@H]12OC1(C)CC(=O)/C(=C(/C)\C)/C[C@@H]1O[C@]1(C)CC2
MCULE-3179520262 0.65 C1(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C(=O)O1
MCULE-8117200139 0.65 [C@]12([H])C(=O)OC(=O)[C@@]1([H])[C@]1([H])C[C@@]2([H])C(=C1)C
MCULE-4967241885 0.65 C1(C)C2C3C(=O)OC(=O)C3C(C2)C=1
MCULE-2662745028 0.65 C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
MCULE-9416510641 0.65 C1(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)O1
MCULE-1065163743 0.65 [C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
MCULE-7718531263 0.65 C1(=O)C2C3CC(C=C3)C2C(=O)O1
MCULE-4992964291 0.65 C1C2C3CC(CC(=O)C)C3C(C3([H])C(=O)OC(=O)C32[H])C=1
MCULE-7212307650 0.65 C1CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
MCULE-1491500449 0.65 O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
MCULE-1938313770 0.65 O=C1C2C3CC(C4C3O4)C2C(C2C3CC(C=C3)C21)=O
MCULE-1138338360 0.65 CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
MCULE-9075211166 0.65 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@]12CCC(=O)O1)[H]
MCULE-6066053107 0.65 COC1C(C(C2CCCCC=2)=O)C1
MCULE-1910819843 0.65 COC1C(C(C2CCCCCCC=2)=O)C1
MCULE-7076095662 0.65 O=C(C1CCCC1)OCC1CC=CCC1
MCULE-4087973137 0.65 O=C(C1COCC1)CC1CC=CC1
MCULE-4622236046 0.65 O=C(C1CCOCC1)CC1CC=CCC1
MCULE-4868794833 0.65 O=CC1(COCCC1)CC1CC=CC1
MCULE-9462321600 0.65 CC1OCC(C(CC2CC=CC2)=O)C1
MCULE-5040101309 0.65 CC1C(C(CC2CC=CC2)=O)CCO1
MCULE-5066919092 0.65 CC1(C(C(CC2CC=CC2)=O)CCO1)C
MCULE-3017570478 0.65 CC(CC(C12COCC1C2)=O)=C
MCULE-7604220648 0.65 O1C23C4(C5(C6(CCC15C=C2)C=CC4(CC3)O6)C(OC)=O)C(OC)=O
MCULE-8334353275 0.65 O=C1CCC2(C)C3C4CC5(C(O)O4)C(CCC5C3CCC2=C1)C(COC(C)=O)=O
MCULE-3859706810 0.65 [H][C@]12[C@@]3(CCC4[C@@](C)([C@@]3([H])[C@@H](O)C[C@]1(C)[C@](C(CO)=O)(OC(CCC)=O)CC2)CCC(=O)C=4)[H]
MCULE-2307310731 0.65 [C@]1(C(=O)CO)(OC(=O)CCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C
MCULE-3492234187 0.65 O(C1(CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])C(O)CC12C)C(=O)CO)C(=O)CCCC
MCULE-5041290339 0.65 C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(CCC)=O)C(CO)=O
MCULE-9491423051 0.65 C1(/C2CCC(C(=O)O)(O)C3OCC2(C3)CC/1)=C(/C)\CO
MCULE-3565112538 0.65 C1(C(OCC)=O)(C(OCC)=O)CC(C)=C(CC1C(O)=O)C
MCULE-7914276135 0.65 C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O
MCULE-3968820569 0.65 C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O
MCULE-2994624081 0.65 [C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
MCULE-5800803041 0.65 C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
MCULE-3353701926 0.65 O1C2C1C1CC2C2C1C(C=CC2=O)=O
MCULE-5491138764 0.65 C1(=O)C2C(C)C=C(CC2C(=O)O1)C
MCULE-5641241273 0.65 O=C1C2C3C=CC(CCCC3)C2C(=O)O1
MCULE-1124925533 0.65 C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
MCULE-2766753223 0.65 C(=O)(OC(C)C)C1CC2CC1C=C2
MCULE-9946479435 0.65 OC(C1(OCCC1)CC1CC=CC1)=O
MCULE-9611860953 0.65 C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
MCULE-6020138869 0.65 C1C2CC(CC2C(=O)OC(C)(C)C)C=1
MCULE-4463064740 0.65 C(OCC)(C1CC2CC1C=C2)=O
MCULE-2014291882 0.65 C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
MCULE-1906795397 0.65 C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21[H])=O)OC(C)=O
MCULE-2242115329 0.65 CC1C(CCC(C)=C)C(=O)CO1
MCULE-4591747967 0.65 CC(CCC1C(=O)COC1)=C
MolPort-003-941-574 0.65 CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
MolPort-046-689-953 0.65 CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
MolPort-002-511-669 0.65 CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
MolPort-002-855-065 0.65 CCOC(=O)C1(CC(C)=C(C)CC1C(=O)OC(C)(C)C)C(=O)OCC
MolPort-002-857-652 0.65 CCOC(=O)C1(CC(C)=C(C)CC1C(O)=O)C(=O)OCC
MolPort-001-739-260 0.65 C\C(CO)=C1\CCC23COC(C2)C(O)(CCC13)C(O)=O
MolPort-002-507-055 0.65 CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
MolPort-000-829-812 0.65 CC1C=C(C)CC2C1C(=O)OC2=O
MolPort-044-649-739 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-000-797-000 0.65 CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
MolPort-001-793-877 0.65 CCOC(=O)C1CC2CC1C=C2
MolPort-005-938-238 0.65 CC(C)(C)OC(=O)C1CC2CC1C=C2
MolPort-044-559-905 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@]67CC[C@@H](C)[C@H](C)[C@H]6C6=CCC8[C@@]9(C)CCC(=O)C(C)(C)C9CC[C@@]8(C)[C@]6(C)CC7)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-002-508-454 0.65 CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
MolPort-046-793-025 0.65 C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(O)=O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-697-187 0.64 CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
MolPort-002-691-856 0.64 CC1=CC2C3C(C4C3C(=O)OC4=O)C1C1C2C(=O)OC1=O
MolPort-046-765-478 0.64 COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33CCC(=O)O3)C12
MolPort-044-649-741 0.64 CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-911-096 0.64 CC12CCC3C(C1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CCC31C)C(=O)OC1CCCC1
MolPort-046-418-888 0.64 CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
MolPort-004-951-461 0.64 O=C1OC(=O)C2C1C1C=CC2C11CC1
MolPort-002-810-764 0.64 CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-028-951-340 0.64 CCOC(=O)C(C1CCCC=C1)C(=O)OCC
MolPort-002-525-874 0.64 C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
MolPort-046-762-520 0.64 CC(=O)O[C@]1(CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
MolPort-039-338-790 0.64 COC(=O)[C@H](C)CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-002-526-754 0.64 CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-000-691-653 0.64 CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-039-338-978 0.64 C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-046-697-348 0.64 COC1C(CC=C(C)C)C(C)(O)C2(CO2)CCC(=O)C1=O
MolPort-000-727-845 0.64 CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
MolPort-044-649-852 0.64 CCOC(=O)C1(CC=C(C)C)CCCC1=O
MolPort-039-338-335 0.64 C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(=O)C1
MolPort-006-137-767 0.64 CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC
MolPort-039-339-046 0.64 C[C@@]1(CCC(=O)O1)[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
MolPort-046-689-952 0.64 CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
MolPort-046-793-139 0.64 CCC(=O)OC1(CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
MolPort-046-418-969 0.64 CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
MolPort-002-911-155 0.64 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(O)=O
MolPort-030-000-106 0.64 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC(O)=O
MolPort-027-948-624 0.64 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
MolPort-002-526-404 0.64 CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
MolPort-046-596-357 0.64 CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
MolPort-006-126-876 0.64 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
MolPort-007-980-828 0.64 CC(=O)OC1CCC2(C)C3CCC4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
MolPort-002-528-752 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(O)=O
MolPort-006-668-365 0.64 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3
MolPort-010-969-193 0.64 CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C(C)=O)C3CC=C2C1
MCULE-5590913017 0.64 C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
MCULE-1607221597 0.64 C12C3C(=O)OC(=O)C3C(C31CC3)C=C2
MCULE-5531778494 0.64 [C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
MCULE-9683452020 0.64 C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
MCULE-1777552821 0.64 C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C
MCULE-9723128082 0.64 C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
MCULE-4871716191 0.64 CC1([C@@H](O)CC[C@@]2(C)[C@H]1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](OC(=O)C)C(=O)C=12)=O)C
MCULE-6908487190 0.64 OC1(C(C/C=C(\C)/C)C(C(C(CCC21CO2)=O)=O)OC)C
MCULE-5699937164 0.64 O=C(C1OCCOC1)CC1CC=CCC1
MCULE-9512042267 0.64 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
MCULE-7818387200 0.64 C1(=O)OC(C2C3CCC(C(OCC)=O)(C=C3)C12)=O
MCULE-9513148820 0.64 O=C1C=C(CCC2OCCCC2)CCC1
MCULE-9860062190 0.64 OC(C1(COCC1)CC1CC=CC1)=O
MCULE-6114441516 0.64 COC1C(C(C2CCCCCC=2)=O)C1
MCULE-9037199231 0.64 OC(C1(CC=CC1)CC1OCCC1)=O
MCULE-6698413544 0.64 CC1C(C(O)=O)(CC2CC=CC2)CCO1
MCULE-3445538277 0.64 C1(CCCC1=O)(C/C=C(\C)/C)C(OCC)=O
MCULE-5385888311 0.64 CC1OC(CC2(C(O)=O)CC=CC2)CC1
MCULE-6276076551 0.64 C(OC)(C1CCC2C1(C)CCC1C=2CCC2(O)CC(O)CCC21CO)=O
MCULE-9695902470 0.64 C1(C)(C)C(C)=CCC1CC(O)CC(=O)C(C)C(=O)OCC
MCULE-6622354875 0.64 O=C1C2(C(C)(C3(C)C2(C)O3)C(C)=C1C)C
MCULE-7276862551 0.64 [C@@]1(OC(=O)CCC)(C(=O)COC(=O)C)CC[C@@]2([H])[C@]3([H])C[C@@H](C4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C
MCULE-4774026424 0.64 O=C(C1OCCCC1)CC1CC=CC1
MCULE-1794103472 0.64 CC1(C(CC2CC=CC2)=O)OCCCC1
MCULE-1172054424 0.64 [C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)[C@@H]1O2
MCULE-4565271647 0.64 C12CCC(C(=O)COC(=O)CCC(=O)O)C1(C)CCC1C3(C)CCC(=O)C=C3CCC21
MCULE-2016791403 0.64 C(O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5(C(C)=O)[C@@]([H])(C[C@@]4([H])[C@]3([H])CC=C2C1)O5)(=O)C
MCULE-3933385900 0.64 [C@]12(C(C)=O)[C@H](O1)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H]
MCULE-2095449953 0.64 C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)C1O2
MCULE-2971649214 0.64 CC(OC1CC2C(C3C(CC=2)C2CC4C(C(=O)C)(C2(C)CC3)O4)(C)CC1)=O
MCULE-6067558194 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CCC(O)=O)=O)[H]
MCULE-1094526426 0.64 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
MCULE-5613497776 0.64 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
MCULE-7519944367 0.64 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
MCULE-6812764571 0.64 C1C(OC(CC(O)/C=C\C/C=C\CCCCCO)C1)CC(O)=O
MCULE-3207105074 0.64 CC(=O)O[C@H](C(=O)C(C)C)C[C@@H](C)C1CC[C@@]2([C@@]3([C@]([C@H](CC=12)O)([H])[C@]1(C)[C@@](C(C(=O)CC1)(C)C)([H])CC3)C)C
MCULE-5653473871 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H]
MCULE-8140512979 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H]
MCULE-6632709049 0.64 C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
MCULE-1555066285 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCC)=O)[H]
MCULE-9425225826 0.64 C1(C)CC23CCCCCC2(C(=O)OC3=O)CC=1
MCULE-7225794462 0.64 C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(OC(=O)CCCCC)C(C)=O)=CC(=O)C1
MCULE-1252077735 0.64 C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
MCULE-5907023439 0.64 [C@]1(C(=O)C)(OC(=O)CCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
MCULE-7091792733 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H]
MCULE-1465573856 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H]
MCULE-7343644414 0.64 C[C@@]12CC[C@@]3([H])C([C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)C1=CC[C@]1([H])[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)(C)C
MCULE-4275218537 0.64 [C@@]12(C(CC=O)=O)OC(O[C@@H]1C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O)[H])(C)C
MCULE-1204198061 0.64 [C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)C(C)C)[C@@]3([C@H](C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
MCULE-3580664146 0.64 C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
MCULE-6259050360 0.64 [C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C
MCULE-6415597267 0.64 [C@]12(C)C[C@@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
MCULE-5289910824 0.64 C12CC1C1C=CC2C2C(=O)OC(=O)C21
MCULE-8553893906 0.64 O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(COC(C)=O)=O)C=O
MCULE-1400366705 0.64 [C@H]12C[C@H]1[C@H]1C=C[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21
MCULE-1339344349 0.64 C1(C)(C(O)CC(=O)OC)C2CC(=C)C3(C)C(=O)C(C)OC(=O)C3C2(C)C(OC(=O)C)CC1C(O)(C)C
MCULE-2890971693 0.64 [C@@]12(C(=O)CO1)[C@]1(C[C@H](O)[C@@]3([H])[C@]([H])([C@]1([H])CC2)CCC1=CC(=O)C=C[C@@]13C)C
MolPort-002-529-998 0.64 CCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-529-231 0.64 CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
MolPort-002-527-902 0.64 CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-596-379 0.64 CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-421 0.64 CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
MolPort-002-528-065 0.64 CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
MolPort-027-849-378 0.64 CCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
MolPort-001-739-329 0.64 OCCCCC\C=C/C\C=C/C(O)CC1CCC(CC(O)=O)O1
MolPort-001-512-555 0.64 CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
MolPort-046-596-250 0.64 CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-000-831-808 0.64 CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
MolPort-000-730-791 0.64 CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
MolPort-046-765-550 0.64 C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)CC1=CC(=O)CC[C@]31C
MolPort-006-113-131 0.64 CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
MolPort-000-700-526 0.64 CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-027-640-928 0.64 CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C\CCCC(O)=O
MolPort-046-697-138 0.64 C[C@@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(C)=O)OC1=O
MolPort-035-706-430 0.64 C[C@@H]([C@H]1OC(C)(C)[C@@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-002-528-696 0.64 CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O1)C(=O)CC=O
MolPort-005-945-745 0.64 CC(C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C
MolPort-046-418-951 0.64 CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)C2=CC[C@@H]2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
MolPort-027-640-927 0.64 CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-697-189 0.64 CC1C(O)C=C2C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
MolPort-027-847-947 0.64 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(C)=O
MolPort-008-346-698 0.64 CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
MolPort-035-706-426 0.64 C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-002-528-161 0.64 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)OC(C)=O
MolPort-046-158-388 0.64 C[C@@H](C[C@@H](O)C1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-027-720-854 0.64 C[C@H]1[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O[C@@H](CC1=O)C(C)(C)O
MolPort-046-158-385 0.64 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]21OCC1=O
MolPort-004-951-336 0.64 O=C1OC(=O)C2C1C1C=CC2C2CC12
MolPort-004-957-972 0.63 O=C1C2OCC(O2)C2C3CC(C=C3)C12
MolPort-002-702-205 0.63 O=C1[C@@H]2OC[C@@H](O2)[C@H]2C3CC(C=C3)[C@@H]12
MolPort-039-338-144 0.63 C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
MolPort-002-527-421 0.63 CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
MolPort-046-596-236 0.63 CC(=O)O[C@@]1(CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
MolPort-002-510-316 0.63 CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
MolPort-000-154-940 0.63 CC1=C(C)CC2C(C1)C(=O)OC2=O
MolPort-001-018-394 0.63 CC1=CCC2C(C1)C(=O)OC2=O
MolPort-044-649-784 0.63 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[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-001-742-502 0.63 COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
MolPort-046-761-785 0.63 CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
MolPort-046-592-361 0.63 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MolPort-044-649-712 0.63 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[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-039-338-789 0.63 COC(=O)[C@H](C)CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-005-933-841 0.63 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
MolPort-002-528-836 0.63 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-023-278-910 0.63 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
MolPort-002-527-626 0.63 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
MolPort-001-740-055 0.63 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-046-596-392 0.63 C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC(O)C2[C@@]2(C)CCC(=O)C=C12
MolPort-002-911-110 0.63 C[C@@H]1CC2C3CCC4CC(=O)C=CC4(C)C3[C@H](O)CC2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-035-394-235 0.63 CC(=O)OCC(=O)C1(O)CCC2C1CC(O)C1C2CCC2=CC(=O)CCC12
MolPort-002-145-630 0.63 COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
MolPort-001-845-394 0.63 COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
MolPort-046-153-766 0.63 C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-039-338-979 0.63 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-046-790-379 0.63 C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
MolPort-046-418-348 0.63 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC([C@@H]4CC[C@@]3(C)[C@]1(C)CC2)=C(C)C
MolPort-046-418-349 0.63 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-524-164 0.63 C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-042-675-414 0.63 COC(=O)C1C2(C)C(=O)C(C)(OC2(C)C=C2C1(C)CCC1C(C)(C)C(CCC21C=O)OC(C)=O)C(=O)OC
MolPort-000-718-038 0.63 CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
MolPort-000-725-088 0.63 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-596-360 0.63 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-002-507-401 0.63 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-932-115 0.63 CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MCULE-2744861965 0.63 O=C1C(CC2CC=CC2)COCC1
MCULE-3756920480 0.63 C/C(/C)=C/CC1(C=O)C(C)(C)OCC1
MCULE-3768588065 0.63 C/C(/C)=C/CCC1C(=O)CCOC1
MCULE-9153451586 0.63 CC=CCC1(C=O)C(C)(C)OCC1
MCULE-6427734294 0.63 C12C(C3CC1C=C3)C1COC(O1)C2=O
MCULE-6092837871 0.63 [C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
MCULE-3824820609 0.63 C1(C)CC2(C(=O)OC(=O)C2(C)CC=1)C
MCULE-3397065732 0.63 [C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
MCULE-1292912968 0.63 [C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
MCULE-1413309866 0.63 CC1CC2C(OC(=O)C2CC=1C)=O
MCULE-7609787636 0.63 O1C(=O)C2C(CC(=CC2)C)C1=O
MCULE-4073913947 0.63 C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
MCULE-8247739375 0.63 C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
MCULE-2875423098 0.63 C12(C)C[C@H](C3C4(C)C=CC(=O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)COC(=O)C)O
MCULE-8269410469 0.63 [C@]12(C)C[C@H](O)[C@]3([C@@]([H])(C[C@@H](C4=CC(=O)CC[C@]34C)C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
MCULE-1716653767 0.63 CC(OCC([C@@]1([C@]2(C)[C@H]([C@H]3[C@H]([C@H](C2)O)[C@]2(C)C(=CC(CC2)=O)CC3)CC1)O)=O)=O
MCULE-6004210718 0.63 C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
MCULE-3185796840 0.63 C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
MCULE-8024539765 0.63 O=C(OC)[C@H]1[C@]2([H])[C@@]([C@@H](C[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)O)([H])[C@]2(C)C(=CC(=O)CC2)C1
MCULE-3525602825 0.63 CC(=O)OCC(=O)[C@@]1([C@]2(C[C@@H]([C@@H]3[C@]4(C)C(=CC(=O)CC4)CC[C@H]3[C@@H]2CC1)O)C)O
MCULE-3574561675 0.63 C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]5(CCC(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](C(OC)=O)CC2=CC(=O)C1
MCULE-7586213775 0.63 C12([H])CC(O)C3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(O)C(=O)COC(C)=O)[H]
MCULE-4761848352 0.63 CC1(C(=O)CC[C@@]2(C)[C@H]1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](OC(=O)C)C(=O)C=12)=O)C
MCULE-2502517261 0.63 C1CC2(C=O)C3=CC4(C)OC(C(=O)OC)(C)C(=O)C4(C)C(C(=O)OC)C3(C)CCC2C(C)(C)C1OC(=O)C
MCULE-7015396651 0.63 C12C(=O)OC(=O)C1C1CCCC2C=C1
MCULE-1197213015 0.63 NC1(C(CC2CC=CCC2)=O)COCC1
MCULE-5816353779 0.63 O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
MCULE-8110589241 0.63 C12CC1C1C=CC2C(C1C(=O)OC(C)C)C(O)=O
MCULE-3929496045 0.63 O=C1CCC(OCC2CC=CC2)CC1
MCULE-8161615308 0.63 CC1C(CC(C)=C)C(=O)CO1
MCULE-5482566460 0.63 C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
MCULE-9610038426 0.63 C1(COC(CCCC)=O)(COC(CCCC)=O)C(C)CC(=CC1C)C
MCULE-2507451013 0.63 [C@@]12(C)CC[C@@]3([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(CC[C@@]3(CC[C@@]21C)C)(C)C)OC(=O)C
MCULE-9149239842 0.63 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
MCULE-5753734207 0.63 C1CC2C(CCC3OC(=O)CC(O)C3)C(C)C=CC2CC1
MCULE-2969710957 0.63 C1CC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
MCULE-5332478343 0.63 C1C2C(=O)OC(=O)C2C(C)=CC1C1CC(=O)OC1=O
MCULE-9439093573 0.63 [C@H]12[C@@H](CC[C@@]3(C)C(C=C[C@@](C)(O)[C@]13[H])=O)[C@@H](C(=O)O2)C
MCULE-7025819167 0.63 C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
MCULE-2019795890 0.63 C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
MCULE-7846274654 0.63 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(O)=O)=O)[H]
MCULE-9489909920 0.63 C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
MCULE-7472025598 0.63 C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O
MCULE-5089449970 0.63 C12(C(=O)COC(C)=O)C(O1)CC1([H])C3(C([H])(CCC21C)C1(C)CCC(CC1=CC3)O)[H]
MCULE-3300544479 0.63 C1C(=O)[C@@]2(CC[C@]3([H])[C@@H]([C@@]2([H])[C@@](O)(C)C=1)OC(=O)[C@H]3C)C
MCULE-9253743476 0.63 CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
MCULE-6834807417 0.63 C1C2(CCOC(C)(C)C2)CCC(=O)C=1
MCULE-3124657861 0.63 C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
MCULE-5485844450 0.63 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
MCULE-6384602125 0.63 OC(C1(COCCC1)CC1CC=CC1)=O
MCULE-6898850815 0.63 COC1C(C(C2CCCC=2)=O)C1
MCULE-1939387046 0.63 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCCCCCCCCCCCCCCC)=O)[H]
MCULE-5957376137 0.63 O=C(C1OCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-2603538836 0.63 C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
MCULE-1090723140 0.63 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
MCULE-8118520301 0.63 C1[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@]4(OC(=O)CC)C(=O)CO)[C@]3([H])CCC2=CC(=O)C1
MCULE-6690425983 0.63 C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
MCULE-9685471149 0.63 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(CCCCCCCCCCCCCCCCC)=O
MCULE-3146262991 0.63 C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
MCULE-6074226479 0.63 C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
MCULE-4784866063 0.63 CCC(=O)O[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C(=O)CO
MCULE-8643661135 0.63 O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
MCULE-7083098838 0.63 O=C(C12CCCC1C2)C1OCCCC=1
MCULE-2906301243 0.63 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCC)=O)[H]
MCULE-7226741017 0.63 C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
MCULE-3976819674 0.63 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)[H]
MCULE-1444566715 0.63 C1([C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2C(C)C1)=O
MolPort-026-241-626 0.63 CC1(CCCO1)C(=O)CCC=C
MolPort-026-867-367 0.63 C=CCCC(=O)C1CCCO1
MolPort-006-137-931 0.63 CC1=CC(CC2C1C(=O)OC2=O)C1CC(=O)OC1=O
MolPort-002-507-199 0.63 C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
MolPort-002-529-023 0.63 CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(C[C@]12C)OC(C)=O)OC(C)=O
MolPort-002-529-073 0.63 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-002-508-875 0.63 CCCCC(=O)OCC1(COC(=O)CCCC)C(C)CC(C)=CC1C
MolPort-000-735-108 0.63 CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
MolPort-005-945-240 0.63 C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
MolPort-005-944-607 0.63 CC1C=CC2CCCCC2C1CCC1CC(O)CC(=O)O1
MolPort-003-941-283 0.63 CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-046-793-320 0.63 CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)C(O)=O
MolPort-009-019-145 0.63 CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(=O)OC)C(O)CC1=O
MolPort-020-005-947 0.63 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)[C@@]1(C)C(O)=O
MolPort-046-423-663 0.63 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-046-596-278 0.63 CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)OC(C)=O)OC(C)=O
MolPort-044-179-830 0.63 C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
MolPort-046-692-277 0.63 CCCC(=O)O[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)C1=O
MolPort-021-804-563 0.63 CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)C(O)=O
MolPort-038-386-044 0.63 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-023-277-853 0.63 CC1=CC2C(CC1)C(=O)OC2=O
MolPort-038-428-286 0.63 CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
MolPort-020-005-949 0.63 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-044-637-463 0.63 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
MolPort-001-917-870 0.63 CC1(C)CC2(CCO1)CCC(=O)C=C2
MolPort-046-067-613 0.63 CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
MolPort-039-339-016 0.63 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-002-800-509 0.63 CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
MolPort-044-567-562 0.63 CCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
MolPort-029-999-028 0.63 CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-019-937-339 0.63 CC1CC(=O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C12
MolPort-002-529-607 0.63 CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-529-413 0.63 CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-596-294 0.63 CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-529-841 0.63 CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-016-633-248 0.63 CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO
MolPort-046-596-416 0.63 CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-420 0.63 CCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-000-719-984 0.63 CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-766-231 0.63 COC1CC(=O)C=C2CC[C@H]3[C@H]4CC[C@@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]3[C@@]12C
MolPort-002-528-961 0.63 CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-509-754 0.63 CC(C)(CO)C1OC2CCCCC2C2C=CCCC12
MolPort-001-741-478 0.63 CC(C)(O)C1CCC(C)(O1)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-044-649-748 0.62 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-529-150 0.62 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(=O)CO
MolPort-006-121-818 0.62 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
MolPort-019-692-088 0.62 CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
MolPort-001-740-454 0.62 CCC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)C1=O)OC(C)=O
MolPort-001-740-452 0.62 CC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)C1=O)OC(C)=O
MolPort-007-980-859 0.62 CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
MolPort-044-600-547 0.62 COC(=O)[C@H]1C2CCC(C=C2)[C@H]1C(O)=O
MolPort-035-706-431 0.62 CC(C)(O)[C@@H]1OC[C@@H](C[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-042-675-528 0.62 CC(C)(O)C1OCC(CC1O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
MolPort-027-836-480 0.62 C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MolPort-046-153-722 0.62 CC(C)C(=O)C(=O)[C@H]1[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
MolPort-039-052-430 0.62 CC1(C)C=CC(=O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](CC[C@@H]31)C(=C)C2=O
MolPort-035-691-408 0.62 C[C@@]12C[C@@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)CC[C@@]3(C)[C@@H](O)C1OC2=O
MolPort-002-512-273 0.62 COC(=O)CC1(C)OC2CCCCC2C2=CCCCC12
MolPort-035-706-392 0.62 COC(=O)[C@@]12CCC3=C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)CC2
MolPort-028-754-123 0.62 CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-035-706-457 0.62 CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-002-527-664 0.62 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)COC(=O)CCC(O)=O
MolPort-046-596-424 0.62 CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(O)=O
MCULE-4172470592 0.62 C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H]
MCULE-7783857639 0.62 C1(C(C)C(C(=O)OC2CC(C)CCC2C(C)C)C(C)=CC1=O)C(=O)OC1CC(C)CCC1C(C)C
MCULE-8824249409 0.62 C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
MCULE-2779552409 0.62 C1(C2(C)C(CC(OC(C)=O)C3(C4C(=O)OC(C)C(=O)C4(C)C(=C)CC23)C)C(OC(C1)=O)(C)C)O
MCULE-1835141621 0.62 C12C3C=CC(C3=C(C)C)C1C(OC2=O)=O
MCULE-2039968402 0.62 C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
MCULE-3449163128 0.62 C(CC)(C(=O)OCC)(C(=O)OCC)CCCCCCCCC=CCCCCCCCC
MCULE-3130717641 0.62 CC(C1(C(=O)OCC1)CC1CC=CC1)=O
MCULE-1537420527 0.62 [C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
MCULE-2054566768 0.62 [C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
MCULE-5998876996 0.62 O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
MCULE-2403352810 0.62 C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-3362275267 0.62 C1CC=CC2C(C(OCC)=O)C2CC1
MCULE-2873851707 0.62 OC(C1(CC=CC1)CC1OCCCC1)=O
MCULE-6499205732 0.62 O=C1C=C(CCC2OCCCC2)CC1
MCULE-3848894707 0.62 C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])C[C@@H](O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1
MCULE-6098209582 0.62 C12CC(C)=CCC1C1COC(O1)C2=O
MCULE-3623108676 0.62 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1OC(=O)[C@@H](C)[C@]21[H]
MCULE-7919639616 0.62 C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
MCULE-6016945740 0.62 C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
MCULE-8359993163 0.62 C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
MCULE-1625834654 0.62 C123C(CCC4=CC(=O)CCC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
MCULE-7500403231 0.62 [C@@]123[C@@]([H])(CCC4=CC(=O)CC[C@]14C)C1CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
MCULE-9925372485 0.62 C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
MCULE-6632797081 0.62 C1(OC(=O)CC(C)(O)CC(=O)O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3CCC2C(C)(C)C1O
MCULE-5715586535 0.62 C12(C3C=CC(C45C=CC34CC=CC5)C1([H])COC2)[H]
MCULE-2992403454 0.62 O([C@H]1CC2[C@@]3(C(=O)C[C@]4(C)C(C5(C)CCC(C(O)(C)C)O5)[C@H](O)C[C@@]4(C)C3CC=C2C(C)(C)C1=O)C)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
MCULE-3605740875 0.62 C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C21)=O)OC(C)=O
MCULE-1244370752 0.62 C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
MCULE-9572199976 0.62 O=C(C1COCCC1)CC1CC=CC1
MCULE-7602245034 0.62 C12C3C4C5C6C3(C(OC)=O)C3(C(=O)OC(CC1)C2C34)C5C1CC=CC61
MCULE-3756805391 0.62 C12(C)C(CCC3C1CCC1(C3CCC1O)C)CC(C1(CCC3=C(CC4(C(C)(C5CCC6(C([H])(CCC6O)C5CC4)C)C3)[H])O1)C2)=O
MCULE-5099122669 0.62 [C@]12(C)C[C@@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
MCULE-2356589109 0.62 C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
MCULE-1660597451 0.62 CC(C1=C2C[C@@H]([C@@H]3[C@@](C)([C@H]2CC1)CC[C@@H]1[C@@]3(CCC(C1(C)C)=O)C)O)(C[C@@H]([C@@H]1C(C)(C)O1)O)C
MCULE-5477551096 0.62 [C@@]12(C)CC(O[C@]1([H])C[C@H](CC2=O)C(C)=C)=O
MCULE-7081720222 0.62 COC([C@H]1C2C=CC(CC2)[C@H]1C(O)=O)=O
MCULE-2246615794 0.62 C12C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C[C@@]4(CC[C@]3(C)[C@@]1(C)CCC=2[C@H](C)C[C@H](O)[C@@]1([H])C(C)(C)O1)[H]
MCULE-4298463614 0.62 O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
MCULE-4431617841 0.62 C1CC2(C)C3CCC4(C)C(C5COC(C(O)(C)C)C(O)C5)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-6207954598 0.62 CC(CC(C1C(C)(C)OCC1)=O)=C
MCULE-7449988542 0.62 [C@@]12(C/C=C(\C)/C)[C@H](C(=O)C(=O)C(C)C)[C@](C)(CC/C=C(\C)/C)[C@@H](C/C=C(/C)\C)C[C@@](C/C=C(\C)/C)(C(=O)O1)C2=O
MCULE-6809618026 0.62 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CC=C2C1)OC(C)=O)=O
MCULE-3028835549 0.62 NC1C(C(CC2CC=CCC2)=O)COC1
MCULE-6809736977 0.62 COC(C1C2C=CC(CC2)C1)=O
MCULE-7100298727 0.62 COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-7442709707 0.62 C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
MCULE-4894937500 0.62 [H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
MCULE-9777116319 0.62 C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
MCULE-6880830630 0.62 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(CCC(O)=O)=O)[H]
MCULE-1739744430 0.62 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
MCULE-2352400825 0.62 C12C(C(=O)OC)C(C(=O)OC)C(C(C(OC)=O)C1C(OC)=O)C=C2
MCULE-4012121864 0.62 [C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
MCULE-3367377749 0.62 O=C1CCC2(C)C3CCC4(C5(OCCO5)CCC4C3CC=C2C1(C)C)C
MCULE-2935787590 0.62 O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
MCULE-4795427452 0.62 C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
MCULE-6296063373 0.62 O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
MCULE-9035451811 0.62 C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
MCULE-3046367928 0.62 C1=CC2C3C4C5C(C(OC)=O)(C2(C(OC)=O)C4C=C5)C13
MolPort-009-014-420 0.62 CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
MolPort-002-507-126 0.62 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
MolPort-002-510-452 0.62 C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
MolPort-000-700-004 0.62 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
MolPort-006-668-187 0.62 CC1OC(=O)C2C3(C)C(CC4C(C)(C3CC(=C)C2(C)C1=O)C(O)CC(=O)OC4(C)C)OC(C)=O
MolPort-001-508-577 0.62 CC(C)=C1C2C=CC1C1C2C(=O)OC1=O
MolPort-005-944-976 0.62 CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C
MolPort-002-509-430 0.62 CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-039-052-417 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-002-841-866 0.62 CC(=O)OC1CCC2C3C=CC4C(C)(C)C(=O)CCC4(C)C3CCC12C
MolPort-035-683-186 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-683-171 0.62 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
MolPort-046-689-954 0.62 CCCC1(OC)OCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)O1
MolPort-002-724-165 0.62 CC1=CCC2C3COC(O3)C(=O)C2C1
MolPort-039-338-909 0.62 COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
MolPort-002-529-441 0.62 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
MolPort-035-946-557 0.62 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
MolPort-002-508-597 0.62 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)OC1=O
MolPort-001-569-829 0.62 CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
MolPort-044-755-229 0.62 CC(=O)O[C@H]1CCC2[C@H]3CC[C@]4(C)C(=O)CCC4=C3C[C@@H](O)[C@]2(C)C1
MolPort-000-692-409 0.62 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
MolPort-044-649-592 0.62 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-006-113-596 0.62 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-044-649-704 0.62 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-522-118 0.62 COC(=O)[C@@]1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(C=CC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2C1
MolPort-002-524-912 0.62 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CCC3[C@@]4(C)CC[C@@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MolPort-006-668-378 0.62 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3
MolPort-007-980-860 0.62 CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)OC(C)=O
MolPort-006-126-442 0.62 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-046-596-926 0.62 CC12CC3OC33C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-019-905-584 0.62 O=C1OC(=O)C2C=CCCC12
MolPort-006-119-261 0.62 C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-527-825 0.62 CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-046-596-386 0.62 CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-035-706-401 0.62 COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-002-534-301 0.62 C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
MolPort-042-620-829 0.61 CC(C)(C)OC(=O)C1(CCC=CC1)C(O)=O
MolPort-046-697-431 0.61 CC(C)=CCC12OC1C1OC(CC1(O)CC2=O)C(C)(C)O
MolPort-005-945-744 0.61 C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
MolPort-002-529-628 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)COC(=O)CCC(O)=O
MolPort-046-764-452 0.61 C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-005-935-240 0.61 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-002-507-017 0.61 C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-046-690-502 0.61 C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(O)=O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-033-731 0.61 COC(=O)[C@@H]1C2CC(C=C2)[C@H]1C(O)=O
MolPort-046-692-054 0.61 CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
MolPort-002-501-818 0.61 COC(=O)C1C2CC(C=C2)C1C(=O)OC
MolPort-002-328-798 0.61 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-003-930-735 0.61 COC(=O)C1C2CC(C=C2)C1C(O)=O
MolPort-046-765-798 0.61 C[C@@H]1C[C@H]2[C@H]3CCC(OC(=O)CCC(O)=O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
MolPort-039-338-977 0.61 C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
MolPort-039-138-962 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@@H](CCCCC(O)=O)C[C@H]12
MolPort-035-874-124 0.61 CC1C2C(C(C=C(C)C)C=C1C)C(=O)OC2=O
MolPort-044-183-412 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CCCCC(O)=O)C[C@H]12
MolPort-002-525-852 0.61 C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-026-241-833 0.61 CC1(CCCO1)C(=O)CCCC=C
MolPort-046-687-432 0.61 C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
MolPort-009-018-294 0.61 CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(=O)OCC(O)CO)C(O)CC1=O
MolPort-019-937-151 0.61 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)C4=CC(=O)[C@]23C)O[C@]11CC[C@H](C)CO1
MolPort-039-052-678 0.61 C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
MolPort-046-697-190 0.61 CC1CC(O)C2=C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
MolPort-039-338-521 0.61 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-023-198-070 0.61 O=C1CCC2(CCOCC2)C=C1
MolPort-008-268-236 0.61 C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)CO
MolPort-044-649-737 0.61 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-515-580 0.61 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
MolPort-002-527-896 0.61 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
MolPort-003-698-563 0.61 COC(=O)C1CC2CC1C=C2
MolPort-001-762-335 0.61 COC(=O)C1CC2CC1C=C2
MolPort-001-785-923 0.61 CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-507-374 0.61 C[C@H]1C[C@H]2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-001-932-114 0.61 CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
MolPort-000-737-773 0.61 CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
MolPort-000-830-618 0.61 CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
MolPort-002-507-115 0.61 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
MolPort-003-666-223 0.61 C[C@H]1CC2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-001-794-638 0.61 C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-001-740-061 0.61 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-349 0.61 CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
MolPort-028-747-757 0.61 CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC
MolPort-035-868-714 0.61 CC(O)=O.C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-046-765-467 0.61 [2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C([2H])([2H])[2H])(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-044-755-228 0.61 CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](O)[C@]2(C)C1
MolPort-002-520-707 0.61 CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
MolPort-044-183-181 0.61 CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
MCULE-6665058711 0.61 C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
MCULE-5483330032 0.61 O[C@@H]1[C@H]2[C@@H](C[C@H](C)C3[C@]2(C)C=CC(=O)C=3)[C@H]2[C@@](C)([C@](C(=O)COC(=O)CCC(O)=O)(O)CC2)C1
MCULE-8945561023 0.61 C1=C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@@]4([H])[C@]3([H])C[C@H](C)C2=CC1=O
MCULE-3190191335 0.61 C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC(O)=O)CC3)CC2
MCULE-8109250856 0.61 [C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
MCULE-6414357750 0.61 [C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)C(=C)C)[C@@]3([C@H](C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
MCULE-7570417588 0.61 C12(OC1C1OC(C(O)(C)C)CC1(O)CC2=O)C/C=C(\C)/C
MCULE-7209202316 0.61 C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(CCC(O)=O)=O
MCULE-6136215019 0.61 C1=CC2CC1C(C(=O)OC)C2C(=O)OC
MCULE-8245989851 0.61 C12CC(C=C1)C(C(OC)=O)C2C(O)=O
MCULE-8227756693 0.61 C1(=O)C2C(C)C(C)=CC(/C=C(/C)\C)C2C(=O)O1
MCULE-8639628515 0.61 CC(CC1(C=O)C(C)(C)OCC1)=C
MCULE-8005965492 0.61 [C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-4705408493 0.61 [C@@H]1(O)C[C@]2(C)C3=CC(=O)[C@]4(C)[C@@]5([H])[C@H](C)[C@@]6(CC[C@H](C)CO6)O[C@@]5([H])CC4C3CC[C@@]2([H])C[C@H]1O
MCULE-2074166404 0.61 C12C3C1C=CC1C(=O)OC2C1C=C3
MCULE-8321853166 0.61 C1C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(=C2C)C1O
MCULE-2449230661 0.61 C1(CC2CC1C=C2)C(OC)=O
MCULE-7110389607 0.61 O=C1C=CC2(CCOCC2)CC1
MCULE-4937005028 0.61 [C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
MCULE-6077958460 0.61 C(OC)(CC1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-3230992952 0.61 C1CC2=CC([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)CO)=O
MCULE-9107883806 0.61 C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H]
MCULE-1992456011 0.61 [C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
MCULE-8794665540 0.61 [C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CC[C@@]12[H])[H])C)=O
MCULE-3268211483 0.61 CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)[C@@H](C)C3)[H])([H])CC1)OC(=O)C
MCULE-4683482437 0.61 C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1
MCULE-3429789050 0.61 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
MCULE-7995984986 0.61 CCCCC(CC)COC(C1CC=CCC1C(OCC(CC)CCCC)=O)=O
MCULE-8036810785 0.61 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(C)=O)[H]
MCULE-1849472820 0.61 C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
MCULE-1955355747 0.61 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
MCULE-9599193894 0.61 C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
MCULE-5067120290 0.61 CC1(C(C(C2OCCCC=2)=O)CCO1)C
MCULE-8878336671 0.61 C12([H])CC(=O)C3([H])C(OC4OCCCC4)CC([H])(C=C1)C23[H]
MCULE-6036890686 0.61 O=C(OCC)C1C(=O)C=C(C)C(C(=O)OCC)C1CC
MCULE-2457325018 0.61 C1CC(CCCCC(OCC)=O)CCC=1C
MCULE-3130202047 0.61 C1C(O)[C@@]2(C3CC([C@@]4(C(OC(C)C([C@@]4(C(OC)=O)[C@]3(C)C(C(=C2C(C)(C)C1=O)O)=O)=O)=O)C)=C)C
MCULE-6478036230 0.61 C1CC2(COC(=O)C2([H])CC=1)C
MCULE-5701533038 0.61 C1(CC(C)=CC(C)C1C(O)=O)C(OC)=O
MCULE-5886720027 0.61 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)=O
MCULE-7580027619 0.61 C12C(C=C1)C1C(=O)OC(=O)C21
MCULE-2804316805 0.61 O1C(CC2C1CC=CC2)=O
MCULE-2555920424 0.61 O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1
MCULE-3334544373 0.61 C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
MCULE-6305611152 0.61 C12C3(C(O)=O)C(C(=O)O)(C4OC3C=C4)C(O1)C=C2
MCULE-1093359827 0.61 [C@@]12(C(C)=O)OC(O[C@@H]1CC1C3C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)(C)C
MCULE-4098552700 0.61 C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1
MCULE-2614241915 0.61 C[C@]12C[C@H](O)[C@]3([H])[C@]4(C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(C(=O)C)OC(=O)CC)C
MCULE-5577107972 0.61 [Na+].C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC([O-])=O)CC3)C[C@@H]2C
MCULE-4236608409 0.61 C(O[C@]12C(C)(C)[C@@]1([H])[C@@]1([H])C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C1)[C@H](C)C2)(=O)CCCCCCCCCCC
MCULE-4945759027 0.61 OC(C1(CC=CC1)CC1COCC1)=O
MCULE-4026127058 0.61 C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
MCULE-6862787283 0.61 O=C(C(C1CCC=C1)C(OCC)=O)OCC
MCULE-9194849346 0.61 C1C=CC(C)C2C(=O)OC(=O)C12
MCULE-2188882812 0.61 C1C([H])(C)C2([H])C(=O)OC(=O)C2([H])C([H])(C)C=1
MCULE-3550577582 0.61 ClC=CC(C1C2OC(CC2)C1)=O
MCULE-1531690228 0.61 C1(COC(=O)C)C(C(=O)O)CC(C)=CC1
MCULE-7096460548 0.61 C1C[C@@]2([H])C(=CC1=O)CC[C@]1([C@@]3([H])[C@@](CC[C@]21[H])(C)[C@@](OC(=O)C)(C(=O)C)C(=C)C3)[H]
MCULE-9760230651 0.61 [C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
MCULE-4846663089 0.61 O=C(C1OCCCC=1)C1CC2C(C2)CC1
MCULE-8258665383 0.61 CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1=C)OC(=O)C
MCULE-6631619200 0.61 O=C(C12CCCCC1C2)C1OCCCC=1
MCULE-4735662565 0.61 O=C(C1OCCCC=1)C1C2C(C2)CCC1
MolPort-046-765-480 0.61 CCCC1OC2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)C2(O1)C(=O)CO
MolPort-001-994-226 0.61 COC(=O)C1CC(C)=CC(C)C1C(O)=O
MolPort-019-937-261 0.61 C[C@@H]1\C=C\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C1=O)OC(C)=O
MolPort-006-668-247 0.61 COC(=O)[C@@]12C(=O)C(C)OC(=O)[C@@]1(C)C(=C)CC1[C@@]3(C)C(O)CC(=O)C(C)(C)C3=C(O)C(=O)[C@@]21C
MolPort-046-761-006 0.61 CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
MolPort-044-755-247 0.61 CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
MolPort-020-393-553 0.61 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
MolPort-044-755-256 0.61 CCCC(=O)O[C@@H]1CC2=C(CC[C@H]3[C@H]2CC=C2C[C@H](CC[C@]32C)OC(C)=O)[C@]1(C)C(C)=O
MolPort-002-145-709 0.61 COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
MolPort-006-123-274 0.61 CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)=O
MolPort-046-765-479 0.61 C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)C(CC1=CC(=O)CC[C@]31C)C(O)=O
MolPort-003-666-471 0.61 [Na+].C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-418-664 0.61 CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C[C@@H]([C@@H]1C2(C)C)C4=O
MolPort-006-114-238 0.61 [Na+].C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-764-683 0.61 CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)[C@@H](O)C[C@]12C
MolPort-046-589-843 0.61 COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
MolPort-044-183-439 0.61 C[C@@H](CCC=C(C)C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
MolPort-044-561-679 0.61 C[C@@H](CCC=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
MolPort-039-239-468 0.61 CCOC(=O)C1(CCC=CC1)C(=O)OCC
MolPort-006-116-794 0.61 CC1C=CCC2C1C(=O)OC2=O
MolPort-046-676-324 0.61 C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)OC2=O
MolPort-002-526-484 0.61 CC(=O)O[C@]1(C(C)=O)C(=C)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-005-937-956 0.61 CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-028-744-450 0.61 CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-000-827-126 0.60 CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
MolPort-046-765-420 0.60 CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-016-586-626 0.60 CCOC12CCC(OCC)(C=C1)C(C2C(O)=O)C(O)=O
MolPort-027-848-173 0.60 CCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
MolPort-002-507-474 0.60 CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
MolPort-046-596-371 0.60 CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
MolPort-046-596-334 0.60 C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-006-118-951 0.60 CC(C)(C)CC(=O)OCC(=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-002-530-377 0.60 CCCCCCC(=O)OCC(=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-045-968-786 0.60 CC1C=CCC2C3COC(O3)C(=O)C12
MolPort-002-528-237 0.60 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
MolPort-004-958-062 0.60 C[C@@H]1C=CC[C@@H]2C3COC(O3)C(=O)[C@H]12
MolPort-002-724-163 0.60 C[C@@H]1C=CC[C@@H]2[C@H]3CO[C@H](O3)C(=O)[C@H]12
MolPort-029-942-993 0.60 CC12CC(OC(=O)C1(C)O)C(C2)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CC(=O)C12C
MolPort-046-509-020 0.60 CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
MolPort-035-706-393 0.60 COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-023-598-683 0.60 CC1(CCCCO1)C(=O)CCC=C
MolPort-046-761-515 0.60 C[C@@H]1C[C@@]2(CCC(=O)O2)[C@@]2(C)CC[C@H]3C([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]12
MolPort-039-338-274 0.60 CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2C(CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
MolPort-039-141-967 0.60 CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
MolPort-046-689-666 0.60 C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
MolPort-046-701-787 0.60 C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1
MolPort-003-847-034 0.60 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
MolPort-046-765-549 0.60 [2H]C1([2H])C(=O)O[C@]2([C@H]3C[C@H]3[C@H]3[C@@H]4[C@H]5C[C@H]5C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1([2H])[2H]
MolPort-001-742-706 0.60 CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
MolPort-023-220-684 0.60 CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(C)=O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]4(C)[C@H]13)C(=O)C2=C
MolPort-005-944-979 0.60 CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-027-720-870 0.60 CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
MolPort-003-892-477 0.60 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-030-042-306 0.60 CC(=O)OCC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-002-529-504 0.60 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO
MolPort-001-742-283 0.60 CC1OC1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C[C@H]2[C@]1(C)OC(C)=O)=C(C)C
MolPort-039-052-559 0.60 COC(C)(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-000-737-923 0.60 CC1=CCCC(C1)C1OCC2CCC(=C)C1C2
MolPort-039-052-566 0.60 COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](OC(C)=O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
MolPort-000-826-425 0.60 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-742-285 0.60 CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
MolPort-039-338-561 0.60 CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
MolPort-039-338-564 0.60 CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
MolPort-039-339-023 0.60 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
MolPort-002-508-349 0.60 COC(=O)CC1(C)OC[C@]2(CCC(C)=CC2)CO1
MolPort-002-507-153 0.60 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-507-124 0.60 CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-046-153-058 0.60 CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(O)C(O)C6(C)CCC54C)C3(C)C)OC(C(O)C2OC2OCC(O)(CO)C2O)C(O)=O)C(O)C(O)C1O
MolPort-001-827-091 0.60 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-596-240 0.60 CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CO
MolPort-007-980-861 0.60 CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
MCULE-6328864567 0.60 [C@]12(C)CC(O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C
MCULE-2047280018 0.60 [C@H]12OC[C@H]([C@@]3([C@@]([H])([C@H](C)C=CC3)C1=O)[H])O2
MCULE-4494500718 0.60 [C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
MCULE-8015339526 0.60 [C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCCCC)=O)[H]
MCULE-5462754937 0.60 [C@]12(C)CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(CC)=O
MCULE-5144743080 0.60 C12OCC(C3(C([H])(C(C)C=CC3)C1=O)[H])O2
MCULE-4877956227 0.60 [C@]12([H])[C@@H](O)C[C@]3(C)[C@@](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)C=C[C@]21C)(O)C(=O)COC(=O)C(C)(C)C
MCULE-3921612257 0.60 [C@H]12OC[C@H]([C@@]3([C@@]([H])([C@H](C)C=CC3)C1=O)[H])O2
MCULE-5137269050 0.60 C1(C(O)=O)C2(OCC)CCC(C=C2)(OCC)C1C(O)=O
MCULE-9628114351 0.60 [C@]12(C)C[C@H](O)[C@@]3([C@@]4(C)C=CC(=O)C=C4CC[C@@]3([H])[C@@]1(CC[C@]2(O)C(=O)COC(=O)CC(C)(C)C)[H])[H]
MCULE-8194301577 0.60 O[C@H]1[C@H](O[C@H]2[C@@](CO)(C)[C@]3([C@]([C@@]4([C@](CC3)(C)[C@]3(C([C@]5([C@]([C@@H](C3)O)(CO)[C@H](O)[C@@H](O)C(C)(C)C5)[H])=CC4)C)[H])(C)CC2)[H])O[C@H](C(=O)O)[C@@H](O)[C@@H]1O
MCULE-9034458089 0.60 C12C3OC(C=C3)C1C1OC2C2C3OC(C(C(=O)OC)=C3C(=O)OC)C12
MCULE-2313890542 0.60 [C@@H]1(O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
MCULE-9709244279 0.60 C12C3C(C4OC3CC4)C(O1)C(C(=O)OC)=C2C(=O)OC
MCULE-1935435552 0.60 O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C
MCULE-2458465887 0.60 O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
MCULE-2999920945 0.60 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-8684927566 0.60 O=CC1(CCOCC1)CC1CC=CC1
MCULE-2883797701 0.60 C1(CC2C3=CCC4C5(C(CCC4(C)C3(C)CCC2(C(=O)O)CC1)C(CO)(C)C(O)C(O)C5)C)(C(=O)OC)C
MCULE-5544927487 0.60 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@](C)(C(OC)=O)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-9605876173 0.60 CC=CCC1(C(O)=O)C(C)(C)OCC1
MCULE-5905279575 0.60 C/C(/C)=C\CC1(C(O)=O)C(C)(C)OCC1
MCULE-4588681059 0.60 OC(C1(C2COCC2)CC=CC1)=O
MCULE-4899690160 0.60 C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@]3([H])[C@]1([H])[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C
MCULE-3344154059 0.60 O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
MCULE-7005445792 0.60 C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
MCULE-5593960668 0.60 O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
MCULE-9909269217 0.60 C1CC21C(C1C(=O)OC(=O)C1)C=CC2C
MCULE-6773378809 0.60 C1=CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
MCULE-4687597526 0.60 C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]4(C)[C@@]([H])(C(C)=O)CC[C@]4(O)C3CC=C2C[C@H]1O
MCULE-8198401941 0.60 C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2=C)=C1
MCULE-3752207122 0.60 [C@H]1(C(=O)C(C)(C)C2[C@@]([H])(C1)[C@@]1(C(C[C@]3([C@]([C@]1([H])CC=2)(C[C@H](C3[C@](O)(C)C(=O)CCC(C)(C)OC(=O)C)O)C)C)=O)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
MCULE-8958095760 0.60 CC(C(C1OCCCC=1)=O)C1CCC1
MCULE-9352251517 0.60 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
MCULE-1844011893 0.60 O=C(C1OCCCC=1)C1C2(CC2)C1
MCULE-3731139584 0.60 [C@@H]1(OC(=O)C)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
MCULE-9340600776 0.60 C1C(C(CCC=1C)CC(=O)OCC)=O
MCULE-3793958264 0.60 O=C(C1OCCCC=1)C1CC2(CCC2)C1
MCULE-8597054153 0.60 O=C(C1OCCCC=1)C1C(C2CC2)C1
MCULE-6332676455 0.60 CC(C1C(C(C2OCCCC=2)=O)C1)(C)C
MCULE-7783529046 0.60 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O
MCULE-3657670503 0.60 C12(C(=O)COC(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
MCULE-2339507429 0.60 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
MCULE-3650069558 0.60 O([C@]1([C@]2([C@@](CC[C@H]1OC(=O)C1(OC1C)C)(C)CC(=O)/C(=C(\C)/C)/C2)[H])C)C(C)=O
MCULE-3172312748 0.60 C1C2(CCC2(CC=C1)C(OC)=O)C(OC)=O
MCULE-1691349217 0.60 O=C1CC2CCC1(OC)C=C2
MCULE-8694554660 0.60 C1CC2(C)C3CC=C4C5CC(C)(C)C(O)C(O)C5(C)CCC4(C)C3(C)CCC2C(C)(C)C1OC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)(CO)CO2)C(O)C(C(=O)O)O1
MCULE-1972388021 0.60 O=C(C1OCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-9367731136 0.60 CC1([C@@H](OC(=O)C)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
MCULE-9006451734 0.60 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(C)=O
MCULE-9395429387 0.60 C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
MCULE-9803186551 0.60 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
MCULE-3538974417 0.60 C(OC)(C12C3C=CC(C1(C1C=CC2O1)C(OC)=O)O3)=O
MCULE-4172276793 0.60 O=C(C12CCCC1C2)C1OCCC=1
MCULE-2899360955 0.60 [C@]12(C(=O)COC(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
MCULE-7462445595 0.60 C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
MCULE-1981205050 0.60 CC1C2CC3OC(=O)C(O)C4(O)C53COC4(C)C(O)C(O)C5C2(C)C(O)C(=O)C=1
MCULE-7442498630 0.60 C1(=O)C2C(C)C(C)=C(CC2C(=O)O1)/C=C(\C)/C
MCULE-7448178395 0.60 [C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C
MCULE-4793681995 0.60 C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(=O)COC(C)=O
MCULE-8587814356 0.60 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
MCULE-7807358397 0.60 Cl/C(/Cl)=C/CC1(C=O)C2OC(CC2)C1
MCULE-5172867047 0.60 CC(C(C1C(C)(C)OCC1)=O)=C
MCULE-4325006445 0.60 [C@@H]1(O)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
MCULE-4520397060 0.60 C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])C[C@@H](OC)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1
MCULE-8187072901 0.60 C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1