SANC01107 Spinasterol




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-5371316798 1 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@H]1O
MCULE-6692951185 1 [C@@]12(C)CC[C@H]([C@H](C)CC/C=C(/C)\C)[C@@]1(C)CCC1[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CCC2=1)C
MCULE-6049121935 1 [H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-6927409255 1 C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC/C=C(/C)\C
MCULE-2778793698 1 C12(C)CCC(C(C)CC/C=C(\C)/C)C1(C)CCC1C3C(C(C)(C)C(CC3)O)CCC2=1
MCULE-9808647935 1 [H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-8719465843 1 C12(C)CCC([H])(C(C)CC/C=C(\C)/C)C1(C)CCC1C3(C([H])(C(C)(C)C(CC3)O)CCC2=1)C
MCULE-5127489047 1 C12=CC[C@@]3([C@](C)(CC[C@H](O)[C@H]3C)C1CC[C@]1(C)[C@H](CCC12)[C@H](C)CCC(C(C)C)=CC)[H]
MCULE-6020208251 1 O[C@@H]1C(C)(C)[C@@]2([H])[C@](C3CC[C@]4(C)[C@@](CC[C@H]4[C@H](C)CC/C=C(/C)\C)(C)C=3CC2)(C)CC1
MCULE-6577726631 1 CC1([C@@]2([H])[C@](C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](CCCC(C)C)C)C=3CC2)(C)CC[C@@H]1O)C
MolPort-046-683-361 1 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-516 1 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-002-506-872 1 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-006-169-225 1 CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
MolPort-000-146-138 1 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-002-525-071 1 C\C=C(\CC[C@@H](C)[C@H]1CCC2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-046-793-116 1 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-836-465 1 C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-046-687-421 1 CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-046-790-358 1 C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-004-956-484 1 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-194-134 1 CCC(\C=C\C(C)C1CC[C@H]2C3=CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-035-706-324 1 CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-039-338-728 1 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-029-887-078 1 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-562-373 1 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-035-706-287 1 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-835 1 C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-027-945-607 1 CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1CCC(O)C(C)(C)C1CC3
MolPort-028-599-899 1 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MCULE-5000750749 0.97 C1C2C3C(C4CC3C(O)C4)C(C2)C=1
MCULE-5100609642 0.96 [C@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)[C@]1(C)CCC1[C@@]3(C(C(C)(C)[C@H](CC3)O)CCC2=1)C)C
MCULE-5946438019 0.96 C[C@]12C3[C@@H]([C@@]4([C@@H](CC=3)C(C)(C)[C@H](O)CC4)C)CC[C@]1(C)[C@@H]1[C@@H](C)[C@H](C)CC[C@]1(C)CC2
MCULE-7023706443 0.96 C1C(O)C(C)(C)C2CC=CCC2(C)C1
MCULE-1095982134 0.96 [H]C12CC(O)CCC1(C)C1C=CC3(C)C(CCC3C(C)CCCO)C1CC2
MCULE-4780950529 0.96 [H]C12CCCC=C1CCC1C3CCC(O)C3(C)CCC21
MCULE-3236832984 0.96 C12(C)C(C(C)CCCO)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MolPort-002-527-314 0.96 CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC4
MolPort-002-911-100 0.96 CC12CCC3C(CCC4=CCCCC34)C1CCC2O
MolPort-002-529-788 0.96 CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)C2C1)[C@@]1(C)CCC(O)C(C)(C)C1CC4
MolPort-039-339-171 0.96 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
MolPort-046-764-451 0.96 [2H]C([2H])([2H])C([2H])([2H])[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C
MolPort-046-690-337 0.96 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-3918504016 0.93 [C@@]12([H])CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-9666470335 0.93 O[C@@]1(CC=C)CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-5494176046 0.93 O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@H]23)O)C1(C)C
MCULE-5010058438 0.93 [H]C12CCCC=C1CCC1C3CCC(CC=C)(O)C3(C)CCC21
MCULE-6807015507 0.93 OC1C(CC2CC=CCC2)CCC1
MCULE-3919531574 0.93 C1CC(CCC=1C)C(C)CO
MCULE-1097149426 0.93 OC1C(CC2CC=CCC2)CCCC1
MCULE-3247130765 0.93 OC1CC(CC2CC=CCC2)CCC1
MCULE-7089035597 0.93 C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
MCULE-2997369368 0.93 CC1(CC(O)CC1)CC1CC=CCC1
MCULE-7656108129 0.93 CC1C(CC2CC=CCC2)CCC1O
MCULE-6689462252 0.93 OCCCC1C2C=CC(CC2)C1
MCULE-2960240255 0.93 O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@H]23)C1(C)C
MCULE-5343555845 0.93 OC1CC(CC2CC=CCC2)CC1
MolPort-039-338-735 0.93 C[C@H]([C@H](O)CC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-028-599-898 0.93 CC1(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-003-925-568 0.93 CC1(C)CC[C@]2(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]2C1
MolPort-003-986-853 0.93 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C
MolPort-003-892-645 0.93 C[C@@H]1CC[C@]2(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]2[C@H]1C
MolPort-035-706-315 0.93 C[C@H]1[C@@H]2[C@H]3CC[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(C)CC=C1C
MolPort-039-338-446 0.93 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MolPort-039-338-134 0.93 CC1(C)CC[C@]2(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)=C2C1
MolPort-039-338-300 0.93 CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-035-706-400 0.93 CC1(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-028-754-127 0.93 CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-003-941-681 0.90 CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-535-945 0.90 CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-530-568 0.90 CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-001-742-476 0.90 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-003-941-696 0.90 CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-169-892 0.90 CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-883 0.90 CC[C@@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-003-892-585 0.90 CCC(\C=C\C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
MolPort-003-941-744 0.90 CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-683-597 0.90 CC(C)=C1CCC(C)(O)CC1.CC(=C)C1CCC(C)(O)CC1.CC1=CCC(CC1)C(C)(C)O
MolPort-003-850-254 0.90 [2H]C([2H])([2H])C([2H])(C(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-005-938-581 0.90 CCC(\C=C\C(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-006-393-281 0.90 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-035-706-321 0.90 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-039-338-465 0.90 C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC=C1C
MolPort-046-761-538 0.90 [2H]C([2H])([2H])C([2H])(CCCC(C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-560-209 0.90 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-597 0.90 [2H]C([2H])([2H])C([2H])(C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-754-061 0.90 CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-046-703-371 0.90 CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-035-706-408 0.90 CC1(C)CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-042-621-338 0.90 OC[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-035-882-175 0.90 CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-687-433 0.90 CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@@H]12
MolPort-035-882-121 0.90 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-114 0.90 [2H]C([2H])([2H])C([2H])(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-404 0.90 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-046-682-865 0.90 CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-762-692 0.90 CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-035-706-328 0.90 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]21C
MolPort-023-331-232 0.90 C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-426-779 0.90 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-727-592 0.90 [2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-039-339-159 0.90 CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-571 0.90 C[C@@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-044-183-267 0.90 C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-598 0.90 [2H]C([2H])(CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])(O)C([2H])(C)C
MolPort-044-183-187 0.90 [2H]C([2H])([2H])C(O)(CCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-156-410 0.90 CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-405 0.90 CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-046-773-764 0.90 [2H]C([2H])([2H])C(CCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-033-528 0.90 CC[C@@H](\C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-830-522 0.90 C\C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-693-545 0.90 [2H]C([2H])([2H])C([2H])(C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-418-687 0.90 CC(C)C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-405 0.90 [2H]C([2H])([2H])C(=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-039-338-727 0.90 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C
MolPort-046-689-497 0.90 C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-196-386 0.90 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-044-755-201 0.90 C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
MolPort-044-830-320 0.90 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-010 0.90 CC(C)CCCC(C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-562-009 0.90 CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-042-624-515 0.90 C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-183-170 0.90 CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-702 0.90 C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]3CC[C@H](O)C3CC[C@@H]21
MCULE-1713939889 0.90 C12CC(O)(C)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-1910237865 0.90 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@H](CC)C(C)C
MCULE-1576185930 0.90 O[C@@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
MCULE-1216746738 0.90 [C@@]12([H])CC[C@H]([C@H](C)CCCC(O)(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-4587768251 0.90 [H]C12CC(O)CCC1(C)C1(C)C(O)CC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2
MCULE-3896942700 0.90 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)CO)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-9819330201 0.90 [C@@]12([H])CC[C@H]([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-2409753351 0.90 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C)[H]
MCULE-9379846923 0.90 C[C@H](CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)O)=CC3)[H])([H])CC1)C)CO
MCULE-9644532124 0.90 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)C(C)C)CC3)CC=2
MCULE-7049960827 0.90 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@]([H])(C)CC[C@@]([H])(CC)C(C)C)[H]
MCULE-8358015855 0.90 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-5784478301 0.90 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-6413140986 0.90 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-5523061914 0.90 C1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)CC3)CC=2
MCULE-8423145149 0.90 [C@@]12([H])CC[C@H]([C@H](C)CCCC(O)(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-3433785012 0.90 CC(C)CC[C@@](O)([C@@](C)([C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC=C2[C@@]1(CC[C@](O)(C2)[H])C)[H])[H])C)[H])[H])[H])[H]
MCULE-6265228650 0.90 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(CC)C(C)C
MCULE-6069203147 0.90 C1C(C(C)CCCC(C)C)C2(C)CCC3C(CC=C4C3(C)CCC(O)C4(C)C)C2C1
MCULE-7081301004 0.90 OC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-6002311928 0.90 C[C@@H]([C@@H]1[C@]2(C)C(=C3[C@H](CC2)[C@]2(C)[C@H](C([C@@H](O)CC2)=C)CC3)CC1)CC[C@H](C(C)C)C
MCULE-8650890619 0.90 CC1(C(C(CC2CC=CCC2)O)C1)C
MCULE-1038909539 0.90 C1C[C@]2(C)C3CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@](CO)(C)[C@@H]1O
MCULE-5954084349 0.90 CC(C(CC1CC=CCC1)O)(O)C
MolPort-006-069-169 0.90 C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-888 0.90 C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-940-755 0.90 CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-666-182 0.90 CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
MolPort-003-941-119 0.90 C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-697-037 0.90 CC(C)CCCC(C)C1CC[C@H]2C3CC=C4CC(O)CCC4(C)[C@H]3CCC12C
MolPort-004-956-055 0.90 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-009-199-159 0.90 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-525-884 0.90 C[C@]1(O)CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-762-324 0.90 OCC1CC2CCC1C=C2
MolPort-039-052-639 0.90 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-044-637-544 0.90 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-002-506-911 0.90 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-785-933 0.90 CC1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-006-169-893 0.90 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-111-384 0.90 CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-934-737 0.90 [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1)[C@H](C)CCCC(C)C
MolPort-044-729-335 0.89 OCC1CCC\C=C/CC1
MolPort-002-511-854 0.89 CCC(O)CC[C@]1(C)CCC(C)=CC1C
MolPort-002-507-443 0.89 CCC(O)CCC1(C)CCC(C)=CC1C
MolPort-002-511-836 0.89 CC(O)CC[C@]1(C)CCC(C)=CC1C
MCULE-1091603091 0.89 C1=C(C)CC[C@@](C)(CCC(C)O)C1C
MCULE-2215895979 0.89 C1=C(C)CCC(C)(CCC(CC)O)C1C
MolPort-044-561-253 0.88 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C
MolPort-002-525-819 0.88 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CC[C@@H]2O
MolPort-002-801-261 0.88 C[C@]12CCC3C(CC[C@@]4(C)CC(C)(O)C=C[C@]34C)C1CC[C@@H]2O
MolPort-002-525-153 0.88 CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)C3CC[C@]12C)C(C)C
MolPort-046-762-740 0.88 CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C
MolPort-046-424-108 0.88 CCC(CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(CO)C3CC[C@]12C)C(C)C
MolPort-046-764-560 0.88 CC1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-046-761-473 0.88 CC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-046-158-542 0.88 C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-514 0.88 CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-046-596-414 0.88 C[C@]12CCC3C(CC=C4CC(O)CC[C@]34CO)C1CCC2O
MolPort-046-693-102 0.88 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MCULE-8305655266 0.88 [C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CC[C@@H]2O)C)O
MCULE-5576651337 0.88 [H]C(O)(C)C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-9945451158 0.88 [C@]12(C)C=CC(C[C@]1(C)CCC1C2CC[C@]2(C1CC[C@@H]2O)C)(C)O
MCULE-4694903563 0.88 C(CO)(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)[H]
MCULE-8984962328 0.88 [H]C12CC(O)C=CC1(C)C1CCC3(C)CCCC3C1CC2
MolPort-003-959-866 0.87 C[C@@H]1CC[C@]2(CO)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]2[C@H]1C
MolPort-006-123-991 0.87 CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1
MolPort-003-932-718 0.87 CC1=CC[C@H](CC1)C(C)(C)O
MolPort-003-939-209 0.87 CC1=CC[C@@H](CC1)C(C)(C)O
MolPort-003-925-627 0.87 CC1(C)CC[C@]2(CO)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]2C1
MolPort-002-042-108 0.87 CC1=CCC(CC1)C(C)(C)O
MolPort-000-832-089 0.87 OCC1CC2CC1C=C2
MolPort-002-534-147 0.87 CC(C)=CCCC(C)(O)C1CCC(C)=CC1
MolPort-001-895-260 0.87 CC1CC2=C(CC1CO)C(C)(C)CCC2
MolPort-046-691-387 0.87 C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)CO
MolPort-039-052-525 0.87 CC(C)C1=CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]2C1
MolPort-042-694-227 0.87 [NaH].CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3CCC4CC(O)=CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-039-138-803 0.87 OCC1C[C@@H]2C[C@H]1C=C2
MolPort-038-386-697 0.87 CC1CCC(O)C2(C)CCC(C=C12)C(C)(C)O
MolPort-020-015-946 0.87 CC(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1
MolPort-039-242-524 0.87 CC1=C(C)CC(CC1)C(C)(C)O
MolPort-027-637-273 0.87 CC1=C2C[C@@H](CC[C@]2(C)CCC1)C(C)(C)O
MolPort-019-937-479 0.87 CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-046-764-422 0.87 [2H]C([2H])([2H])C(O)(CCC=C(C)C)[C@H]1CCC(C)=CC1.[2H]C([2H])([2H])C(O)(CCC=C(C)C)[C@@H]1CCC(C)=CC1
MolPort-019-937-461 0.87 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CCC4[C@@](C)(CCC5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-035-706-402 0.87 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-035-706-308 0.87 CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
MolPort-046-647-352 0.87 OC[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-029-943-150 0.87 CC1=CCC2C(C)(CO)CCCC2(C)C1CO
MCULE-4778747911 0.87 C1C(O)C2(C)CCC(C(O)(C)C)C=C2C(C)C1
MCULE-8722569228 0.87 C1CC2(C)C(CO)C(C)=CCC2C(CO)(C)C1
MCULE-4154375600 0.87 C12(C(CC=CC1)(CO)CCCC2)CO
MCULE-9554247289 0.87 C1CC2(CO)CC(C)(C)CC2(CO)CC=1
MCULE-7446284675 0.87 C1=CC2CCC1C(CO)C2CO
MCULE-7364976100 0.87 C1[C@@H](O)[C@]2(C)CC=C(C(C)C)C[C@@]2([H])[C@@](C)(O)C1
MCULE-2979260832 0.87 C1CC2(CO)CCCC2(CO)CC=1
MCULE-6626480267 0.87 C1CC2C(O)C3CC=CCC3C(O)C2CC=1
MCULE-7760721294 0.87 C1CC2(CCCCC2(CO)C(C)C=1)CO
MCULE-9174314602 0.87 C1C[C@H](CCC=1C)[C@](C)(CC/C=C(\C)/C)O
MCULE-2856968398 0.87 C1=CC2C3C4C(C(CCO)C13)C=CC4C2CCO
MCULE-3206249578 0.87 C1CC(CCC=1C)C(C)(CC/C=C(\C)/C)O
MCULE-6184897823 0.87 C(O)(C)(C)[C@@H]1CC=C(C)CC1
MCULE-9798755896 0.87 C1CC(CCC=1C)C(C)(C)O
MCULE-9083020972 0.87 C1C[C@@]2(C)CC[C@@H](C(O)(C)C)CC2=C(C)C1
MCULE-1620592725 0.87 C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CO)CCC(C)C(C)C21[H])[H]
MCULE-8948864854 0.87 C(O)(C)(C)[C@H]1CC=C(C)CC1
MCULE-6240066964 0.87 C1C(C)=CC[C@H](C(O)(C)C)C1
MCULE-7682763192 0.87 [C@@]12(C)CC[C@@]3(CO)CC[C@@H](C)[C@H](C)[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@]12C
MCULE-7846055076 0.87 C1C[C@@]([H])(CCC=1C)[C@@](C)(CC/C=C(/C)\C)O
MCULE-8414811975 0.87 CC(C)([C@H]1CCC(C)=CC1)O
MolPort-035-706-366 0.86 CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@]2(C)CC1
MolPort-046-589-846 0.86 CCCCCCCC\C=C/CCCCO
MolPort-046-792-964 0.86 CCCCCCCCCC\C=C/CCCCCCCCO
MolPort-046-761-951 0.86 C\C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-589-793 0.86 CCCC\C=C/CCCCCCCCCCCCO
MolPort-046-766-184 0.86 C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC(O)CC[C@]34C)[C@H]1CC=C2
MolPort-046-764-556 0.86 C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC=C2
MolPort-006-131-022 0.86 CCCC\C=C/CCCCCCCCCCO
MolPort-003-721-217 0.86 CCCC\C=C\CCCCCCO
MolPort-002-511-086 0.86 CC\C=C\CCCCCCCCCCO
MolPort-003-959-163 0.86 CCCCCC\C=C/CCCCCCCCO
MolPort-003-987-053 0.86 CCCCCCCC\C=C/CCCCCCCCCCCCO
MolPort-003-931-111 0.86 CCCCCCCC\C=C/CCCCCCCCO
MolPort-006-128-344 0.86 CCC\C=C/CCCCCCCO
MolPort-006-709-371 0.86 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MCULE-1988512755 0.86 C/C(/C)=C/CCC1C(O)(C)CCCC1
MCULE-6675572295 0.86 C/C(/C)=C/CC[C@H]1[C@@](O)(C)CCCC1
MCULE-5898882618 0.86 C/C(/C)=C/CCC1(C(O)(C)CCC1)C
MCULE-3634019791 0.86 CC1CC(CC/C=C(\C)/C)C(O)CC1
MCULE-7776107404 0.86 C(CO)CCCCCCC=CCCCCCCCC
MCULE-2280486224 0.86 C/C(/C)=C/CCC1C(O)CCC1
MCULE-6860357182 0.86 C(CC)=CCCCCCCCCCCO
MCULE-3492445798 0.86 C/C(/C)=C/CCC1C(O)CCCC1
MCULE-5459783064 0.86 C(CCCCCCCO)=CCCCCCCCO
MCULE-1321155051 0.86 CCCCCCCC/C=C\CCCCCCCCO
MCULE-1916450603 0.86 C(CCCCCCCCO)=CCCCCCCCCO
MCULE-4623064101 0.86 CCCCCCCCC=CCCCCCCCCCCCCO
MolPort-039-338-103 0.85 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-338-246 0.85 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-002-911-095 0.85 CC(C)CCCC(C)C1CCC2C3CC(O)C4=CC(O)CCC4(C)C3CCC12C
MCULE-4355376092 0.85 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=C[C@H]1O
MCULE-2870645391 0.85 C12(C3C4C5C1C=CC5C2(CO)C4C=C3)CO
MCULE-4894965151 0.85 [H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1CC2
MCULE-6567295142 0.85 C1=CC2C3C4C5C6(C(O)CC5C5CC(O)C26C54)C13
MolPort-046-153-784 0.84 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
MolPort-003-926-713 0.84 OCC1(CO)CC2CC1C=C2
MolPort-039-338-303 0.84 C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-039-052-643 0.84 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-509-053 0.84 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)C[C@@H]1O
MolPort-035-706-465 0.84 C[C@@H]1C[C@H](O)[C@]2(C)[C@@H](O)C[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]2[C@H]1C
MolPort-002-510-076 0.84 CC1C=C(C)CC[C@@]1(C)C(O)CC=C
MolPort-035-706-387 0.84 CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-039-052-535 0.84 CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@](C)(C=C)C=C3CC[C@@H]12
MolPort-046-509-060 0.84 CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-035-706-202 0.84 CC(C)[C@]1(O)CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12
MolPort-046-153-062 0.84 C\C1=C\CCC(=C)C(O)CC2(C)CCC(C2CC1)C(C)(C)O
MolPort-039-338-463 0.84 C[C@H]1[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)C[C@H](O)[C@@]2(C)CCC1=C
MolPort-002-507-656 0.84 OC1CCCCC1C1=CCCCC1
MolPort-002-799-485 0.84 CC1(C)CCC[C@]2(C)[C@H](O)C=CC[C@@H]12
MolPort-003-664-628 0.84 OCC1C2CC(C=C2)C1CO
MolPort-001-942-587 0.84 CC1CC2=C(CC1(CO)CO)C(C)(C)CCC2
MolPort-001-739-625 0.84 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO
MolPort-002-506-918 0.84 CC1C=C(C)CCC1(CO)CO
MolPort-000-714-524 0.84 CC1CC(C)=CC(C)C1(CO)CO
MCULE-3836274754 0.84 C12CC(C=C1)C(CO)(CO)C2
MCULE-6498196947 0.84 C12C=CC1C1CC(O)C12
MCULE-6114329924 0.84 [C@H]1(O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-5776284238 0.84 C12CC(C=C1)C(CO)C2CO
MCULE-1242105368 0.84 C1C[C@@]2([H])[C@H](C)CC[C@@](O)(C(C)C)[C@@]2([H])C=C1C
MCULE-3038839535 0.84 C12C(C)(C)CCCC=1CC(C)C(CO)(CO)C2
MCULE-3790245367 0.84 C1(CO)(CO)C(C)CC(=CC1C)C
MCULE-7419704729 0.84 C123C=CC1(CCC(O)C2)CCCC3
MCULE-6148148354 0.84 C1(C)C(C(O)C2(CO)C(C)CC=CC2)CC=CC1
MCULE-2526639251 0.84 [C@]1(C)(C(CC=C)O)CCC(=CC1C)C
MCULE-5986847154 0.84 C1=C(C)CCC2C(C(O)(C)C)CCC2(C)CC(O)C(=C)CC1
MolPort-035-862-149 0.83 OCC1CCC=CCC1
MolPort-003-388-175 0.83 CC(C)=C1CC2C3CCC4CCCCC4(C)C3CCC2(C)C1O
MolPort-004-831-283 0.83 CC1=CCC(CO)CC1
MolPort-001-742-411 0.83 C[C@@]12C[C@]3(CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2
MolPort-006-133-148 0.83 CC(O)C(C)CCC1CC=C(C)C1(C)C
MCULE-1285320299 0.83 [C@@]12(C)CCC[C@@](C)(CO)C1CC[C@@]13C[C@](C=C1)(C)CCC32
MCULE-6377131123 0.83 C1CC(CO)CCC=1C
MCULE-2844730204 0.83 C12(C)CCC3C(CCC4CCCCC34C)C1C/C(=C(/C)\C)/C2O
MCULE-5591347023 0.83 OC1(C2C(C2)CC1)CC1CC=CC1
MCULE-7265382444 0.83 CCC1C(CC2CC=CC2)(O)CCC1
MCULE-5407375446 0.83 CC(C1CCCC1)(CC1CC=CC1)O
MCULE-1706558387 0.83 CC1(C(CC2CC=CC2)(O)CCC1)C
MCULE-9313043371 0.83 CCC1CC(CC2CC=CC2)(O)CC1
MCULE-1413268524 0.83 CC1C(CC2CC=CC2)(O)CCC1
MCULE-6005158959 0.83 CC1CC(CC2CC=CC2)(O)CCC1
MCULE-7502094563 0.83 OC1(CCCCC1)CC1CC=CC1
MCULE-7561786019 0.83 CC1C(C(CC2CC=CC2)O)CCC1
MCULE-7590026618 0.83 CC1C(CC2CC=CC2)(O)CCCC1
MolPort-039-339-018 0.82 C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
MolPort-035-706-292 0.82 CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-044-723-460 0.82 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MolPort-046-761-784 0.82 C[C@]12CC[C@H]3[C@@H](CCC4=C3CC[C@H](O)C4)[C@@H]1CC[C@@H]2O
MolPort-046-426-158 0.82 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O
MolPort-046-764-572 0.82 C[C@]12CC[C@@H]3[C@@H](CCC4=C3CC[C@H](O)C4)[C@H]1CC[C@@H]2O
MolPort-002-800-186 0.82 CC1(C)CC2=C([C@@H]1CO)C1(CO)CC(C)(C)CC(C)(C2)C1
MolPort-003-800-414 0.82 C[C@@]1(O)CC2C3CC(C=C3)C2[C@@H]1O
MolPort-003-960-121 0.82 CC\C=C/CCCCCO
MolPort-046-702-738 0.82 C\C=C(/C)CCCC(C)(C)O
MCULE-5803228201 0.82 [C@@H]1(O)C(C2[C@@]([H])(CC1)[C@@]1(C)[C@]([H])([C@]3([C@@](C[C@H]1O)(C)[C@@H]([C@H](C)CC[C@@H](O)C(O)(C)C)CC3)C)CC=2)(C)C
MCULE-3444922346 0.82 C/C(/C)=C/CCC1(CC(O)CC1)C
MCULE-3732793313 0.82 C/C(/C)=C/CCC1CC(O)CC1
MCULE-1607606730 0.82 CC1C(CC/C=C(\C)/C)CCC1O
MCULE-8949375623 0.82 C/C(/C)=C/CCC1CC(O)CCC1
MCULE-9102303739 0.82 C12C3CC(C=C3)C1[C@@H]([C@](C)(O)C2)O
MCULE-3033801776 0.82 OC(C12CCCC1C2)C1CCCCC=1
MCULE-7493111413 0.82 C12(O)CC=CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2
MCULE-2594150628 0.82 C12[C@H](CO)C(CC=1CC1(CC2(CO)CC(C1)(C)C)C)(C)C
MCULE-2001524479 0.82 C[C@@]12[C@H]3CC=C4[C@H]5CC(C)(C)[C@@H](O)[C@H](O)[C@]5(CO)[C@H](O)C[C@@]4(C)[C@]3(C)CCC1[C@](CO)(C)[C@@H](O)CC2
MCULE-3659196019 0.82 C1CC23CC=CCC2(C(O)C(O)C3)CC=1
MCULE-9641907119 0.82 C12C(C)(O)C=CC(C1)CC2
MolPort-035-706-273 0.81 CC(C)=C[C@H]1CC[C@]2(C)[C@@H]1[C@@](C)(O)CC[C@H]2O
MolPort-039-052-543 0.81 C[C@@]1(CC[C@H]2C(CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]23C)=C1)C=C
MolPort-046-790-431 0.81 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C=C1
MolPort-001-764-871 0.81 OC12CCC(CC1)C=C2
MolPort-002-513-677 0.81 CC1CC(CCC=C(C)C)=CCC1CO
MolPort-000-738-432 0.81 CC1CC(C)=CCC1(CO)CO
MolPort-000-713-824 0.81 CC1=CCC(CO)(CO)CC1
MCULE-3107036474 0.81 C1(O)C2C(O)CC3C2C(C=C3)C1
MCULE-8616711102 0.81 C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C=C3CC[C@@]2([H])[C@](C)(CO)[C@H]1O
MCULE-7323379876 0.81 C1C2(CO)CCC2(CO)CC=C1
MCULE-9145826081 0.81 C1=CC2CC(O)C3C(C)(O)CC1C23
MCULE-7281449678 0.81 C1(CC/C=C(/C)\C)CC(C)C(CC=1)CO
MCULE-1025553559 0.81 C(C1=CCCC2(CCCCC2)C1)O
MCULE-7044206712 0.81 C1(C(O)C)C(C)=CCCC1
MCULE-2989209658 0.81 C1(CO)(CO)CC=C(CC1C)C
MCULE-8152778304 0.81 C1(CO)(CO)CCC(=CC1)C
MCULE-6347475200 0.81 C(CCCCCC)(C1C=CCCC1)O
MCULE-9426101692 0.81 OC(C1CC=CCC1)CC1CC=CC1
MCULE-7790352459 0.81 C[C@@]1([C@H](CC2CCCC=2)CCCC1)O
MCULE-9669832293 0.81 [C@@]1(C)([C@H](O)C/C=C(\C)/C)C2CCC(C2)[C@@]1(C)O
MCULE-1536375497 0.81 CC1(C(CC2CCCC=2)CCCC1)O
MCULE-1585616264 0.81 C1[C@@H](O)[C@]2(C)CC[C@]([H])(/C=C(/C)\C)[C@@]2([H])[C@](O)(C)C1
MolPort-044-195-003 0.80 O[C@H]1CCC\C=C/CC1
MolPort-035-706-357 0.80 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-039-338-737 0.80 CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-046-418-007 0.80 C\C(=C/CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-028-750-814 0.80 OC1CCCC=CCC1
MolPort-006-116-093 0.80 OC1CCC\C=C/CC1
MolPort-001-782-919 0.80 OCCC1CCCC=C1
MolPort-006-668-567 0.80 CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
MCULE-5351377157 0.80 C/C(/C)=C/CCC1(C2CC(CC2)C1)O
MCULE-7081887871 0.80 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](/C(/C)=C/CO)CC3)CC=2
MCULE-5501982482 0.80 [H]C12C3(C)CCC(O)CC3(O)CC=C1C1CCC(C(C)C=CC(C)C(C)C)C1(C)CC2
MCULE-2184969189 0.80 OCC1(CC2C(C2)C1)CC1CC=CC1
MCULE-4834307131 0.80 OC(C1(CCCC1)O)CC1CC=CC1
MCULE-6129970627 0.80 C12C3C(C)C(C)C4C56CC(O)C=CC35C6C1C24
MCULE-4282189276 0.80 C1(O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)CO)CCC4(C)C=3CCC2C(C)(C)C1O
MCULE-8078256499 0.79 OC1(C2CCCC2)C2C=CC(C2)C1
MCULE-4729152230 0.79 C12CCC(C(C)CCCC(C)C)C1(C)CCC1=C3CCC(O)CC3(C(O)CC21)C
MCULE-9092899526 0.79 CC(C(C1(C2C=CC(C2)C1)O)C)C
MCULE-6447505818 0.79 CCC(C(C1(C2C=CC(C2)C1)O)C)C
MCULE-3563281112 0.79 CCC(C1(C2C=CC(C2)C1)O)C
MCULE-3872755173 0.79 OC1(C2C=CC(C2)C1)CCC=C
MCULE-6358122731 0.79 CC(CC1(C2C=CC(C2)C1)O)C
MCULE-1143033410 0.79 OC1(C2C=CC(C2)C1)CC1CC=CC1
MCULE-1392126977 0.79 CCC(CC1(C2C=CC(C2)C1)O)C
MCULE-7216680812 0.79 CC(CC(C1(C2C=CC(C2)C1)O)C)C
MCULE-3060260292 0.79 CC(C1(C2C=CC(C2)C1)O)C
MCULE-2244025879 0.79 CCC(C1(C2C=CC(C2)C1)O)CC
MCULE-2654426987 0.79 OC1(C2C=CC(C2)C1)CC1CCCC1
MCULE-8197081732 0.79 CC(CCC1(C2C=CC(C2)C1)O)C
MCULE-8668421078 0.79 C/C(/C)=C/CCC1([C@@H]2C=C[C@@H](C2)C1)O
MCULE-2200261924 0.79 CCCC(C1(C2C=CC(C2)C1)O)C
MCULE-5616063933 0.79 CC(CCC1(C2C=CC(C2)C1)O)(C)C
MCULE-9167476740 0.79 C/C(/C)=C/CCC1(C2C=CC(C2)C1)O
MCULE-5943346302 0.79 CCCC1(C2C=CC(C2)C1)O
MCULE-1617847451 0.79 CCC1(C2C=CC(C2)C1)O
MCULE-9392156768 0.79 CC1CC(CC2CC=CC2)(O)CC1
MCULE-2402052397 0.79 C/C(/C)=C/CCC1C(O)CCCCC1
MCULE-6994850137 0.79 CC1(CC(CC2CC=CC2)(O)CC1)C
MCULE-6877075574 0.79 CC1(CC(O)CC1)CC1CC=CC1
MCULE-6185037616 0.79 OC1(CCCC1)CC1CC=CC1
MCULE-6625698081 0.79 CC1C(CC2CC=CC2)CCC1O
MCULE-5812699460 0.79 OCC1(CCCCC1)CC1CC=CC1
MCULE-7341595899 0.79 C1(CO)(CO)CC=C(CC1C)CC/C=C(\C)/C
MCULE-8779705243 0.79 OC(C12CCCC1C2)CC1CCCC=1
MCULE-2216758301 0.79 C1(C)(C)C2([H])C(O)C=C(C)C1(C2)[H]
MCULE-7918435177 0.79 C1(C)(C)[C@]2([H])C[C@@]1([H])C(C)=C[C@@H]2O
MCULE-5887388555 0.79 C(=C/CCC(C)CC(O)C)(/C)\C
MolPort-039-338-287 0.79 C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-029-945-688 0.79 CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C
MolPort-003-928-511 0.79 CC1=C[C@H](O)C2CC1C2(C)C
MolPort-002-911-117 0.79 CC(C)CCCC(C)C1CCC2C3CC(O)C4(C)CC(O)CCC4=C3CCC12C
MolPort-023-221-382 0.79 C[C@@]12CCC[C@H]1[C@@H]1CCC3CC(O)=C(CC=C)C[C@@H]3[C@H]1CC2
MolPort-035-706-344 0.79 C[C@H](\C=C\CC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-046-067-712 0.79 CC1CC(CCC=C(C)C)=CCC1(CO)CO
MolPort-046-067-628 0.79 O[C@H]1C2CCC[C@H]1C1=C(CCCC1)C2
MCULE-1091799520 0.79 OC1([C@@H]2C=C[C@@H](C2)C1)CC1CC=CC1
MCULE-7237464277 0.79 CCCCC1(C2C=CC(C2)C1)O
MCULE-4436654330 0.79 C1=CC2C3CC3C1C(CO)C2CO
MCULE-2519662703 0.79 CC(C1(C2C=CC(C2)C1)O)(C)C
MCULE-2011068282 0.78 C1(CO)C(C)(C)CCCC=1C
MCULE-1753855464 0.78 C1C(C)=CCC(C(=C)CCO)C1
MCULE-2316234334 0.78 C1C=C(C)CCC(C(O)(C)C)C=CC(C)C1
MCULE-9679008761 0.78 C12C(CCO)=CCC(C1(C)C)C2
MCULE-2525177975 0.78 C1=CC2C3C4C(C(CO)C13)C=CC4C2CO
MCULE-1721479473 0.78 C1C(C)=CCC(C(O)(C)C)CCC(C)=CCCC(C)=CC1
MCULE-6190365385 0.78 C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-2038225383 0.78 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2[C@@H](O)[C@H]1O
MCULE-3710984096 0.78 C1CC2(C)C3CCC4(C)C(C(/C=C/C(C(O)C)C(C)C)C)CCC4C3C(O)C=C2CC1O
MCULE-4320729921 0.78 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-9038016383 0.78 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@H](O)C=C2C[C@H]1O
MCULE-6029934866 0.78 CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C([C@@H]([C@H](CC2)O)O)=CC3)[H])([H])CC1)C)C
MCULE-7068613182 0.78 [H]C12CC(OC)CCC1(C)C1C(O)CC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2
MolPort-039-052-443 0.78 CC[C@H](CC[C@@H](C)[C@H]1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)C(C)C
MolPort-039-338-736 0.78 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-001-790-844 0.78 CC1(C)[C@@H]2C[C@H]1C(CCO)=CC2
MolPort-002-498-111 0.78 CC1=CC(O)CC(C)(C)C1
MolPort-003-846-086 0.78 CC1=C(CO)C(C)(C)CCC1
MolPort-003-930-540 0.78 CC1(C)C2CC1C(CCO)=CC2
MolPort-044-637-537 0.78 CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
MolPort-044-637-536 0.78 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
MolPort-044-637-461 0.78 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-039-339-158 0.78 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-723-335 0.78 CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
MolPort-046-426-780 0.78 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-426-781 0.78 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-703-143 0.78 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-727-594 0.78 CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-006-394-340 0.78 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-561-082 0.78 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-595 0.78 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@H]2C3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-039-339-207 0.78 CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-046-764-593 0.78 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-295 0.78 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-153-799 0.78 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-046-690-006 0.78 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-153-107 0.78 CC(C)C(\C=C\C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)O
MolPort-035-706-291 0.78 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-101-217 0.78 CC1CC\C=C(C)\CCC(\C=C\1)C(C)(C)O
MolPort-019-930-612 0.78 CC1(C)[C@H]2CC1C(CCO)=CC2
MolPort-044-637-531 0.78 C\C1=C\CC\C(C)=C\CC(CC\C(C)=C/CC1)C(C)(C)O
MolPort-006-169-894 0.78 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-8019425107 0.77 C1C(C(O)C)C=CCC1
MCULE-6646668513 0.77 C[C@@]12C[C@H](O)[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-7835659960 0.77 C/C(/C)=C/CCC1(C2C(C2)CC1)O
MCULE-9929984425 0.77 OCC1(C2C3CC(CC3)C2)CC=CC1
MCULE-4233503518 0.77 OC1(C2C(C2)CCC1)CC1CC=CC1
MCULE-2585598299 0.77 C/C(=C/CCC(C1C2C(CC3C(C)(C2(C)CC1)CCC1C3(CCC(C1(C)C)O)C)O)(O)C)/C
MCULE-5296220089 0.77 C/C(/C)=C/C(C12CCCC1C2)O
MCULE-3450777603 0.77 O[C@@H]1C(C)(C)[C@@]2([H])[C@@](C)([C@]3([H])[C@@](C)(CC2)[C@]2(C)[C@@]([H])([C@@H]([C@](CC/C=C(/C)\C)(C)O)CC2)[C@H](O)C3)CC1
MCULE-5667364535 0.77 C(C=CC(O)CCCCC)(C)(C)C
MCULE-8699525142 0.77 C1(CCCCC1O)=CC(C)C
MCULE-2871959103 0.77 C[C@@]12CC[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-4514313259 0.77 CCCCCCC(O)CC=CCCCCCCCCO
MCULE-1572938680 0.77 C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](C)(CC/C=C(\C)/C)O)CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2([H])C(C)(C)[C@H]1O
MCULE-4985122843 0.77 C1C([H])(C)C([H])(CO)C([H])(CO)C([H])(C)C=1
MCULE-8309101837 0.77 C/C(/C)=C/C1(CC2CC(CC2)C1)O
MCULE-1361042454 0.77 C[C@@]12C[C@H](O)[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-4732733810 0.77 C1[C@@]2(C)[C@@]([H])([C@@H](O)C[C@]3(C)[C@]2([H])C[C@@H](O)[C@@]2([H])[C@@]3(C)CC[C@@H]2[C@](O)(CC/C=C(\C)/C)C)C(C)(C)[C@@H](O)C1
MCULE-9020191331 0.77 C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](C)(CC/C=C(/C)\C)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-7334417627 0.77 CC(CC1CCCCC=1)(O)C
MCULE-6548923859 0.77 [C@@]12(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([C@@]2(C)CC[C@]1([H])[C@](C)(O)CC/C=C(/C)\C)[H])O
MCULE-8156503872 0.77 OC[C@](O)([C@]1(CC[C@@]2(C(CC[C@]3([C@]2(C[C@@](C[C@]3(CO)C)(O)[H])C)[H])=C1)[H])C)[H]
MCULE-8434520112 0.77 OC1(C2C=CC(C2)C1)CC1CC1
MCULE-6020017542 0.77 OC1(C2CCC2)C2C=CC(C2)C1
MCULE-9051465595 0.77 C1(C2C=CC(C34C=CC23CC=CC4)C1CO)CO
MCULE-9082814536 0.77 O[C@]1(C#C)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
MCULE-4519288897 0.77 OC1(C2CC2)C2C=CC(C2)C1
MCULE-4102226627 0.77 NCC(CC1C2C=CC(CC2)C1)O
MCULE-4079586755 0.77 C12CC(C3C(O)C(O)C13)C=C2
MCULE-2026458872 0.77 C12(C)CC(CC(C)(CO)C1([H])CCC1=CC(C)(C(O)CO)CCC21[H])O
MCULE-4943208576 0.77 C1C[C@@]2([H])[C@]3([H])CC[C@@]4(C)[C@@](O)(C#C)CC[C@]4([H])[C@@]3([H])CCC2=CC1
MCULE-5002847328 0.77 [H]C12CCCC=C1CCC1C3CCC(O)(C3(C)CCC21)C#C
MCULE-9912389313 0.77 C1CC2(CO)C(CO)C(C)=CCC2C(CO)(C)C1
MCULE-1506005197 0.77 [C@H]1(O)C[C@@]2(C)[C@]3([H])CC[C@@]([C@@H](O)CO)(C)C=C3CC[C@]2([H])[C@](C)(CO)C1
MCULE-1732403644 0.77 OC1(C2C=CC(C2)C1)CCC1CC1
MCULE-4292259193 0.77 [C@@]12([H])CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-4979255634 0.77 C1C2C3C=CC3C(C(CO)C2CO)C=1
MCULE-7843809650 0.77 OCC1CC=CCC1
MCULE-9677910881 0.77 CC1CC(CC/C=C(\C)/C)(O)CCC1
MCULE-3287434696 0.77 C/C(/C)=C/CCC1(C(C)(C)CCC1)O
MCULE-7634836202 0.77 CC1C(CC/C=C(\C)/C)(O)CCC1
MCULE-3304428106 0.77 CC1CCC(CC/C=C(\C)/C)(O)CC1
MCULE-9048517900 0.77 C1C=CCC(CO)(C)C1
MCULE-8065006413 0.77 CC1C(CC/C=C(\C)/C)(O)CCCC1
MCULE-4794081286 0.77 OC1(CCCCCC1)CC1CC=CC1
MCULE-1889985819 0.77 C/C(/C)=C/C(CC1CCCCC1)(O)C
MCULE-2532107825 0.77 C/C(/C)=C/CCC1(CCCCC1)O
MCULE-6288478354 0.77 C1C[C@@]2(C)CC/C(=C(\C)/C)/C[C@]2([H])[C@@](C)(O)C1
MCULE-7312598347 0.77 C/C(/C)=C/C(CC1CCCC1)(O)C
MCULE-9057383269 0.77 CC(C(CC1CC=CC1)O)(O)C
MCULE-7534551137 0.77 CC1C(CO)CC=CC1
MCULE-6376135384 0.77 C1(/CCC(CC/1)(C)O)=C(\C)/C
MolPort-046-689-748 0.77 CC[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-039-338-445 0.77 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MolPort-020-005-763 0.77 CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-002-135-314 0.77 CC(O)CC\C=C(/C)CCC1C(C)=CCC2C(C)(C)CCCC12C
MolPort-001-921-993 0.77 CC(C)\C=C1/CCCCC1O
MolPort-001-791-423 0.77 CC1CC=CCC1CO
MolPort-001-791-415 0.77 OCC1CCC=CC1
MolPort-006-111-949 0.77 CC(C)=C1CCC(C)(O)CC1
MolPort-006-185-012 0.77 C[C@@]12CC[C@@H]3[C@H](CCC4=CCCC[C@@H]34)[C@H]1CC[C@]2(O)C#C
MolPort-046-761-778 0.77 CC(C)=CCCC(C)(O)[C@H]1CC[C@]2(C)C1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-029-945-682 0.77 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-027-835-420 0.77 CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-793-307 0.77 CC(CCO)CC\C=C(/C)CCC=C(C)C
MolPort-035-789-558 0.77 CC(C)(O)CC1=CCCCC1
MolPort-022-878-942 0.77 OCCC1=CCCCC1
MolPort-046-788-548 0.77 CC\C=C\CCCCCCCCCCC[C@@H](O)C[C@@H](O)CO
MolPort-023-220-754 0.77 CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
MolPort-002-510-446 0.77 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-423-229 0.77 CC(C)=CCCC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@@H](O)C[C@@]21C
MolPort-020-005-760 0.77 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
MolPort-046-594-334 0.77 CC1(CO)CC(O)CC2(C)C3CCC(C)(C=C3CCC12)C(O)CO
MolPort-046-693-376 0.77 CC(C)=CCCC(C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-035-706-317 0.77 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
MolPort-029-943-149 0.77 CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
MolPort-020-005-644 0.77 C[C@@]1(CO)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO
MolPort-039-339-170 0.77 C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1
MolPort-035-706-223 0.77 CC(C)=C1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1
MolPort-039-337-367 0.77 C\C=C\C(O)C1CCCCC1
MolPort-006-069-078 0.77 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-044-723-220 0.76 CC(C)[C@H]1C[C@H](O)C(C)=C[C@@H]1O
MolPort-046-596-264 0.76 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-597-698 0.76 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-046-691-997 0.76 [2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-762-480 0.76 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-765-250 0.76 C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-046-589-954 0.76 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-021-804-631 0.76 CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
MolPort-002-524-169 0.76 C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-042-675-300 0.76 C[C@@H](CCC=C(C)C)[C@H]1C[C@@H](O)C(C)=C[C@@H]1O
MolPort-023-312-565 0.76 C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@]21CO1
MolPort-046-419-080 0.76 C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-792-998 0.76 CC(CCC=C(C)C)C1(O)CCC(C)=CC1
MolPort-035-706-195 0.76 C[C@@H]1C[C@H](O)[C@@H]2[C@H](C3=C(C)CC[C@H]13)C2(C)C
MolPort-035-706-320 0.76 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(O)C(C)(C)O
MolPort-035-705-936 0.76 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO
MolPort-039-338-279 0.76 C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C
MolPort-046-761-810 0.76 [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC([2H])([2H])C3=O)[C@@H]2C1
MCULE-9232962439 0.76 C1(CC(CO)CC(CO)C=1)C(C)(C)C
MCULE-9469566080 0.76 C[C@@]12CC[C@@H](O)C(C)(C)[C@@]1([H])CCC1=C[C@@](CC[C@@]21[H])(C)[C@H](CO)O
MCULE-6022003482 0.76 [C@@H]1(O)C(C)=C[C@H](O)[C@@H](C(C)C)C1
MCULE-6718216216 0.76 CC1CC(CC/C=C(\C)/C)=CC(O)C1
MCULE-5781346358 0.76 C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1
MCULE-1467475131 0.76 C1C=C2CCC(O)C2C1
MCULE-6754513691 0.76 [C@]1([H])([C@@H](C)CC/C=C(\C)/C)[C@@H](O)C=C(C)[C@H](O)C1
MCULE-8676658606 0.76 C1(O)CC2CC2C=C1
MCULE-9379929413 0.76 C1(O)CC2(C)CC2(C)C=C1
MCULE-3997698187 0.76 C1C[C@]23C[C@@]42CC[C@]2(C)[C@@]([H])([C@@H](C/C=C/C(O)(C)C)C)CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@H](C)[C@H]1O
MCULE-2144125677 0.76 C12([H])C=C(C)C1([H])CCC2([H])O
MCULE-1943700997 0.76 OC(C12CCCC1C2)C1CCCC=1
MCULE-5058412241 0.76 CC(C(CC1CC=CC1)(O)C)(C)C
MCULE-4520792651 0.76 CC(C(CC1CC=CC1)O)(C)C
MCULE-2246342919 0.76 C/C(/C)=C/CCC1CC(O)CCCC1
MCULE-4311460031 0.76 CC(C(CC1CC=CC1)O)C
MCULE-3195811210 0.76 OC1(C=CCCC1)CC1CC=CC1
MCULE-2581880996 0.76 C(C)(C)(O)C(O)CC/C(/C)=C/CCC(C)(O)C=C
MCULE-3092137801 0.76 C(/C=C(\C)/CC/C=C(\C)/CCC(O)C(O)(C)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
MCULE-4923642243 0.76 C1(CO)=C(C)CC2CC1C2(C)C
MCULE-6313856149 0.76 CC1CC(C(C2CCCCC=2)O)C1
MCULE-7791473919 0.76 C(C1(CCCCC1)O)=CC1(CCCCC1)O
MCULE-1110457062 0.76 OC(C1CCCCC=1)C1C(C2CC2)C1
MCULE-3629918410 0.76 O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
MCULE-2847349308 0.76 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
MCULE-2538866374 0.76 C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
MCULE-1547137893 0.76 C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
MCULE-9526433855 0.76 [C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-7829183730 0.76 O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-4006235073 0.76 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
MCULE-5952812721 0.76 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)[C@@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@H]1O
MCULE-6728895797 0.76 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
MCULE-2258281526 0.76 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC12CO1
MCULE-9672606479 0.76 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
MCULE-5277306782 0.76 O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
MCULE-4269813571 0.76 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-2615091969 0.76 O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-7491068561 0.76 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-3774604452 0.76 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C)[C@@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@H]1O
MCULE-6089018925 0.76 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-2115945080 0.76 C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2N)C)O
MCULE-2451101251 0.76 C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MolPort-039-339-184 0.76 C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-001-913-566 0.76 CC(C)(C)C1=CC(CO)CC(CO)C1
MolPort-001-740-060 0.76 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-003-929-763 0.76 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-000-720-642 0.76 CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-507-455 0.76 C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-527-265 0.76 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-009-198-793 0.76 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-891-893 0.76 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
MolPort-002-354-437 0.76 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2N
MolPort-002-525-209 0.76 C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-911-249 0.76 CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-006-148-399 0.76 CC(C)(O)C1CCC(CO)=CC1
MolPort-003-666-312 0.76 CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-522-274 0.76 CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-525-706 0.76 CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-506-906 0.76 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-509-354 0.76 CC1=CC2C(CC1CO)C2(C)C
MolPort-001-742-383 0.76 C\C(CCC(O)C(C)(C)O)=C/CCC(C)(O)C=C
MolPort-002-130-829 0.76 OC1(CCCCC1)\C=C\C1(O)CCCCC1
MolPort-001-741-466 0.76 CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)C(O)CO
MolPort-002-158-261 0.76 CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-039-338-184 0.76 CC[C@H](CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-764-596 0.76 CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-455 0.76 CC(C)C(=C)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-596-590 0.76 CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-004-964-558 0.75 CC\C=C/C\C=C/C\C=C/CCCCCCCCO
MolPort-016-633-333 0.75 CC1(C)C[C@H](C2CC[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]2C1)C(O)=O
MolPort-000-714-517 0.75 CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-003-960-163 0.75 CC\C=C/CCCCO
MolPort-001-769-687 0.75 CC(CCO)CCC=C(C)C
MolPort-002-535-711 0.75 C[C@@H](CCO)CCC=C(C)C
MolPort-002-528-437 0.75 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-007-980-812 0.75 CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-740-290 0.75 C\C(CC[C@@H]1[C@@](C)(O)CCC2C(C)(CO)CCC[C@@]12C)=C\CO
MolPort-016-633-342 0.75 C[C@@H]1C[C@H](C2CC[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]2[C@H]1C)C(O)=O
MolPort-001-793-688 0.75 CC1=CC(O)CCC1
MolPort-001-740-292 0.75 C\C(CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C)=C\CO
MolPort-001-742-486 0.75 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-006-111-517 0.75 CCCCC\C=C/C\C=C/CCCCCCCCO
MolPort-002-508-554 0.75 C\C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)=C\CO
MolPort-002-511-286 0.75 CC(O)C(C)CCC=C(C)C
MolPort-002-507-239 0.75 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]12
MolPort-002-512-344 0.75 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-003-845-967 0.75 C[C@H](CCO)CCC=C(C)C
MolPort-003-929-356 0.75 C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O
MolPort-002-524-880 0.75 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-507-828 0.75 CC1(C)C2CCC1(C)C(C2)C1=CCCCC1
MolPort-028-747-769 0.75 CCCCCC=CCC=CCCCCCCCCO
MolPort-044-755-235 0.75 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-141-505 0.75 OC(=O)C1CC2CC=CC(C2)C1
MolPort-028-754-126 0.75 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-038-949-343 0.75 CC1=C(CO)CCC(C)(C)C1
MolPort-035-830-820 0.75 OC1CCCCCC=C1
MolPort-035-801-460 0.75 CC(=C)C1CC(CO)C2CCC3C(CCC4C3CCC3C4CCC(O)C3(C)C)C12
MolPort-046-790-567 0.75 CC1=C(C)C(O)CCC1
MolPort-039-338-325 0.75 C[C@H]1[C@@H](CC[C@]2(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]12)C(O)=O
MolPort-027-641-310 0.75 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCO
MolPort-038-941-702 0.75 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-037-962-730 0.75 OCC1CCCCC=C1
MolPort-023-299-064 0.75 C\C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO
MolPort-046-761-446 0.75 [2H]C([2H])([2H])C1([C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@H](CC=C12)[C@H](C)CCC=C(C)C)C([2H])([2H])[2H]
MolPort-046-195-008 0.75 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12
MolPort-046-683-754 0.75 C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-046-594-431 0.75 CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MCULE-4504483614 0.75 C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-4399439382 0.75 C(/C)(\C)=C/CC[C@@H](C)CCO
MCULE-4204888723 0.75 C(/C)(\C)=C/CCC(C)CCO
MCULE-4588166214 0.75 [H]C12CCC=CC1(C)C1CCC3(C)CCCC3C1CC2
MCULE-1085878457 0.75 C12CCCCC=1C(C(O)C2C)C
MCULE-2672638007 0.75 C(O)(C)(C)[C@@H]1CC[C@H](C)C2CC[C@H](C)C=2C1
MCULE-5025931577 0.75 C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-3900892809 0.75 C(/C)(\C)=C/CC[C@H](C)CCO
MCULE-5113003290 0.75 OC(C1CC2CC(CC=C2)C1)=O
MCULE-5403675724 0.75 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1C(=C)C2
MCULE-9341616847 0.75 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-2040575765 0.75 CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(CO)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1O)C
MCULE-1977304897 0.75 C12C(CCC3C4C(C5CCC(C(C)(C)C5CC4)O)CCC13)C(CC2C(C)=C)CO
MCULE-5850991547 0.75 C(/C)(\C)=C/CCC(C)C(C)O
MCULE-3664047551 0.75 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-2479027298 0.75 C12(C)CCC3(C([H])(C(CC3)C(C)=C)C1([H])CCC1([H])C2(C)CCC2(C1(C)CCC(O)C2(C)C)[H])CO
MCULE-2732428803 0.75 [C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(O)C2(C)C)CO
MCULE-8214516455 0.75 C12CCCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-3644985415 0.75 [H]C12CCCC1(C)C1CC=C3C4(C(C)C(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
MCULE-7147126046 0.75 C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-5503440064 0.75 [H]C12C(C)(C)CC=CC1(C)C1CCC3(C4(C(C(C)C)CCC4(C)CCC3(C)C1(C)CC2)[H])[H]
MCULE-5204543094 0.75 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-5327458615 0.75 CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-5192933185 0.75 C([H])(CCCC)=C([H])CCCCO
MCULE-5994930115 0.75 NOCC1C2C=CC(CC2)C1
MCULE-2407386794 0.75 [C@@H](C)(CCO)CC/C=C(\C)/C
MCULE-3946157075 0.75 C(/C)(\C)=C/CC[C@@H](C)CCO
MCULE-3817844296 0.75 OC/C=C(\C)/CC[C@@H]1[C@]2(C)[C@H](C(C)(C)CCC2)CC[C@@]1(C)O
MCULE-5051897823 0.75 C12C(C)(C)CCCC1(C)C1CCC3(C)CCCC3C1CC=2
MCULE-1070537748 0.75 [H]C12CCCC1(C)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MolPort-030-042-288 0.74 CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
MolPort-002-506-869 0.74 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
MolPort-002-510-148 0.74 CC1(C)CCC2=C1CCC1C2CCC2C[C@@]3(CO3)CC[C@]12C
MolPort-045-971-977 0.74 CC1(C)C2CC=C(CO)CC12
MolPort-004-956-486 0.74 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-002-506-868 0.74 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-002-512-678 0.74 C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-521-548 0.74 C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-003-958-968 0.74 OC1CC2CC1C=C2
MolPort-002-525-771 0.74 CC(O)CC\C=C(/C)CC[C@@H]1C(=C)CCC2C(C)(C)CCC[C@@]12C
MolPort-020-005-730 0.74 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
MolPort-046-153-723 0.74 CC1(C)[C@@H]2CCC(CO)=C[C@H]12
MolPort-042-678-433 0.74 O[C@@H]1C[C@@H]2C[C@H]1C=C2
MolPort-002-800-539 0.74 CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
MolPort-046-596-232 0.74 CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-762-735 0.74 [Na+].OS([O-])(=O)=O.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-755-246 0.74 CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-596-363 0.74 C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-596-323 0.74 CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-035-785-285 0.74 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-565 0.74 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-046-693-069 0.74 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-176-718 0.74 CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-692-950 0.74 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-003-848-014 0.74 [2H]C([2H])([2H])C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-782-917 0.74 OCC1CCCC=C1
MolPort-002-522-880 0.74 CC[C@@H](\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC)C(C)C
MolPort-000-726-918 0.74 C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
MolPort-000-831-717 0.74 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-507-137 0.74 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-001-785-925 0.74 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
MolPort-002-526-688 0.74 C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
MolPort-006-069-150 0.74 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-394-338 0.74 C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-510-407 0.74 C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-509-462 0.74 C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-002-506-984 0.74 C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-520-296 0.74 C[C@]12CC[C@H]3[C@@H](CC=C4CC(O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-002-498-934 0.74 OCC1(CO)CCC=CC1
MolPort-002-510-419 0.74 C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-003-657-290 0.74 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2(O)C#C
MolPort-035-706-248 0.74 CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1
MolPort-002-116-843 0.74 CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
MCULE-9858556969 0.74 [C@]12([H])CC[C@@](C)(O)[C@]1([H])C=C(C(C)C)CCC2=C
MCULE-6641232569 0.74 CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-6935719222 0.74 OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-1670830332 0.74 C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
MCULE-5059755813 0.74 C1(C)C2([H])C(O)([H])CCC2([H])C=1
MCULE-7471433700 0.74 CC(C(CC1CC=CCC1)O)(N)C
MCULE-9038165616 0.74 CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-4778256781 0.74 C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
MCULE-2186753253 0.74 C1(CCC=CC1)(CO)CO
MCULE-6061926963 0.74 C/C(/C)=C/C1(C2(CCCC2)CC1)O
MCULE-4398307489 0.74 C/C(/C)=C/C1(C(C2CC2)CCCC1)O
MCULE-6673315997 0.74 C/C(/C)=C/C1(C2(CCCCC2)CC1)O
MCULE-1567541702 0.74 C1C=CCC(CO)(CO)C1C
MCULE-6700435672 0.74 C1CC(CO)(C([H])(CO)CC=1)C
MCULE-4829210533 0.74 C/C(/C)=C/C1(CCC2(CC2)CC1)O
MCULE-8308803305 0.74 C1=CCC(CO)([H])C(CO)([H])C1
MCULE-6794880716 0.74 C/C(/C)=C/C(C1CCC2(CC2)CC1)O
MCULE-4914569425 0.74 C1CC(C)(CO)C(C)(CO)CC=1
MCULE-2278855920 0.74 CC1(CCCC1)CC1(CC=CC1)CO
MCULE-7060414091 0.74 OCC1(CC=CC1)CC1CCCCC1
MCULE-8259872102 0.74 C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-4275950574 0.74 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
MCULE-8155210029 0.74 C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO
MCULE-5059257985 0.74 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)CC=2
MCULE-6230588507 0.74 C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2(O)CC#N)C)O
MCULE-6301076627 0.74 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
MCULE-3141539281 0.74 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-2671029853 0.74 [C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-5603568076 0.74 [C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#C)C)O
MCULE-1591105974 0.74 C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
MCULE-5685325143 0.74 C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-9605275825 0.74 C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2(O)C#C)C)O
MCULE-5390747778 0.74 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
MCULE-3700780696 0.74 C12(C)CCC(O)CC1=CCC1C3C(C)(CC(O)(C#C)C3)CCC12
MCULE-9917637884 0.74 [C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
MCULE-2313378449 0.74 C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-9071849084 0.74 C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
MCULE-5808724300 0.74 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC)CC[C@]34C)C1CC[C@@H]2[C@H](C)C=C[C@H](CC)C(C)C
MCULE-1747951282 0.74 C1CC23C=CC(O)([H])C2(CCCC3)CC1
MolPort-035-706-428 0.73 C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[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-046-593-467 0.73 O[C@H]1CC\C=C/CC\C=C/CC[C@H]1O
MolPort-035-775-540 0.73 OC1CCC=CCCC=CCCC1O
MolPort-046-158-414 0.73 CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC(CO)C(=C)CCCC(C)CCCC(C)CCCC(C)C
MolPort-046-689-534 0.73 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CC[C@@H]1C
MolPort-029-215-812 0.73 OC(=O)CC1CC2CC1C=C2
MolPort-046-762-691 0.73 CC(C)[C@H](C)\C=C\[C@H](C)[C@@H]1CC[C@@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CC[C@H]1C
MolPort-046-015-164 0.73 CC=C[C@@H]1CCC[C@H]1O
MolPort-016-630-900 0.73 OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-003-959-981 0.73 CC(C)C1(O)CCC(C)=CC1
MolPort-009-756-326 0.73 CC(C)[C@@]1(O)CCC(C)=CC1
MCULE-3518978306 0.73 C/C(/C)=C/CCC1(CCCC1)O
MCULE-7960215674 0.73 CC(C1CC1)(CC1CC=CC1)O
MCULE-2160573955 0.73 CC1(C(CC2CC=CC2)(O)CC1)C
MCULE-5785045084 0.73 CC1C(C)C(CC2CC=CC2)(O)C1
MCULE-6470482217 0.73 CC(C1C(C)(C)C1)(CC1CC=CC1)O
MCULE-9666104558 0.73 CC1C(C(CC2CC=CC2)(O)C)C1
MCULE-6145280739 0.73 OC1C(CC2CC=CC2)CCCCC1
MCULE-1448579286 0.73 CC(C1(CC1)C)(CC1CC=CC1)O
MCULE-2042059061 0.73 CC=C(C(CCCCCC)O)C
MCULE-8451732137 0.73 CC(C1CCC1)(CC1CC=CC1)O
MCULE-6714106749 0.73 CC(C1CC(CC2CC=CC2)(O)C1)C
MCULE-7257776158 0.73 CC1CC(C(CC2CC=CC2)O)C1
MCULE-9338644720 0.73 OC1(CCC1)CC1CC=CC1
MCULE-8537539599 0.73 CC1CC(CC/C=C(\C)/C)(O)CC1
MCULE-4680973810 0.73 CC1CC(CC2CC=CC2)(O)C1
MCULE-7868209831 0.73 CC1C(C(CC2CC=CC2)O)C1
MCULE-7483828714 0.73 CC1C(CC2CC=CC2)(O)CC1
MCULE-3117143517 0.73 CC1(CC(CC2CC=CC2)(O)C1)C
MCULE-3415791931 0.73 C/C(/C)=C/CCC1(CC(C)(C)CC1)O
MCULE-3655330509 0.73 OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-9297462921 0.73 C12(C)CCC(O)C=C1CCCC2O
MCULE-2911613762 0.73 [C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-1387113476 0.73 C12CCC(O)C=C1CCCC2O
MCULE-7115760688 0.73 OC(C1C2(CC2)C1)CC1CCCC=1
MCULE-2778170549 0.73 O[C@]1(CC=C(C)CC1)C(C)C
MCULE-2204393281 0.73 C1C2CC2CCCC([H])(O)C=1
MCULE-6511194668 0.73 C1(O)(C(C)C)CCC(=CC1)C
MCULE-1387376761 0.72 C12CCC(O)C1(C)CCC1=CC(=O)CCC21
MolPort-001-972-569 0.72 OC(=O)C1C2C1C1CC2C=C1
MolPort-020-173-956 0.72 OCC1=CCCCC1
MolPort-006-668-581 0.72 CC1(C)CCCC2(C)C(CO)C(CO)=CCC12
MolPort-002-525-852 0.72 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-046-158-389 0.72 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-035-706-371 0.72 C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-039-052-394 0.72 C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-028-803-657 0.72 CC1(O)CCCC=C1
MCULE-4050950999 0.72 CC(CC1CC=CC1)(O)C
MCULE-8485688872 0.72 [H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-4024786417 0.72 [H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-2538841501 0.72 C12(C(C)O)CCC(C(=C)C1(C)C)C2
MCULE-9054991327 0.72 C1(=C)C2CCC1CC(CO)C2
MCULE-7610155056 0.72 C1CC2(C)C(CO)C(CO)=CCC2C(C)(C)C1
MCULE-2546809155 0.72 CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-2735934269 0.72 OC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-5225374056 0.72 CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-9087411700 0.72 NC(CC1C2C=CC(CC2)C1)CO
MCULE-2601245805 0.72 NC1(C(CC2CC=CCC2)O)CCC1
MCULE-7937772710 0.72 NC1(C(CC2CC=CCC2)O)CC1
MCULE-1190191150 0.72 OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-8733365213 0.72 NC1CC(C(CC2CC=CCC2)O)C1
MCULE-5147208258 0.72 C/C(/C)=C/C(C1CC2C(C2)CC1)O
MCULE-8711501793 0.72 CC1(C=CCCC1)O
MCULE-2613547392 0.72 C/C(/C)=C/C(C12CCCCC1C2)O
MCULE-2124537298 0.72 C/C(/C)=C/CCC1(C2C(C2)CCC1)O
MCULE-5549502379 0.72 C12C3CC(C=C3)C1C2C(O)=O
MCULE-3688392585 0.72 O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-9949303370 0.72 C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-8005965492 0.72 [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-2562452387 0.71 [H]C12C(C)(C)C=CCC1(C)C1CC=C3C4(CC(C)(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
MCULE-6674525093 0.71 [C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(O)C2(C)C)C
MCULE-5809713750 0.71 [C@@H]1(O)C(=C)CC[C@@H](C(C)C)C=CC(=C)CC1
MCULE-5964566264 0.71 CC(CC[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-7379269815 0.71 CC1(C(CCC=C)CCCC1)O
MCULE-2551726771 0.71 C12CC[C@@]3(C)CCC(=C)CC3(C)C1CCC1(C)C(CCC21)C(O)C
MCULE-8413416808 0.71 C/C(/C)=C/CCC1(C=CCCC1)O
MCULE-8763812176 0.71 [C@]12([H])[C@H](C(C)=C)CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
MCULE-9014720947 0.71 OC(C12CCCCC1C2)C1CCCC=1
MCULE-7493190737 0.71 C1CCC2CCC3CCCC4C3=C2C1CC4
MCULE-1457963521 0.71 C12CC[C@@]3([H])CCC(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C
MCULE-2562807594 0.71 C[C@@]1([C@H](CCC=C)CCCC1)O
MCULE-5310074418 0.71 CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1O)C
MCULE-1420218917 0.71 C(C)(=C)C1CCC(CO)=CC1
MCULE-7927989762 0.71 C1(=C)C2CCCC1CC(CO)C2
MCULE-7834366617 0.71 CC(CCC1C(O)(C)CCCC1)=C
MCULE-9554900818 0.71 C(O)(CC1CC2CC1C=C2)(C(F)(F)F)C(F)(F)F
MCULE-1274107363 0.71 CC(C1(C2C=CC(C2)C1)O)=C
MCULE-5967042891 0.71 [C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
MCULE-8519050416 0.71 C1=CC2CC1C1C(O)([H])C=CC12
MCULE-9366421620 0.71 CCC1C(/C=C(\C)/C)(O)CCCCC1
MCULE-9570282750 0.71 C/C(/C)=C/C(C1C(C(C)(C)C)C1)O
MCULE-5586241876 0.71 C/C(/C)=C/C(C1C(C2CC2)C1)O
MCULE-3959532000 0.71 C/C(/C)=C/CCC1(CCCCCC1)O
MCULE-2839347602 0.71 CC(C1CCC1)C(/C=C(\C)/C)O
MCULE-9714691739 0.71 CC1C(/C=C(\C)/C)(O)CCCCC1
MCULE-2266413616 0.71 C1CC(O)C2(C)CC2C(C(CC=C1C)(CO)C)O
MCULE-6275089676 0.71 CC(C1C(C(C2CCCC=2)O)C1)(C)C
MCULE-2021729654 0.71 OC1C(O)CC2=C(CCCC2)C1
MCULE-6877512765 0.71 C12CC1C=CC([H])(O)C1CC12
MCULE-1784949358 0.71 OC(C1CCCC=1)C1C(C2CC2)C1
MCULE-6995939226 0.71 CC1CC(C(C2CCCCCC=2)O)C1
MCULE-1119605098 0.71 OC(C1CCCC=1)C1CC2(CCC2)C1
MCULE-3250846744 0.71 CC1CC(C(C2CCCC=2)O)C1
MolPort-039-338-320 0.71 C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-039-338-364 0.71 CC(C)[C@@H]1CCC(=C)[C@@H](O)CCC(=C)\C=C\1
MolPort-007-980-882 0.71 CC(=C)[C@@H]1CCC2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-742-379 0.71 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-742-380 0.71 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-000-738-377 0.71 CC(=C)C1CCC2(C)CC[C@]3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-003-927-230 0.71 CC(C)(O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
MolPort-003-927-779 0.71 CC(=C)[C@H]1CCC(CO)=CC1
MolPort-002-911-160 0.71 C[C@]1(O)CCC2C3CC[C@H]4CCC(=C)CC4(C)C3CCC12C
MolPort-002-911-163 0.71 CC(O)C1CCC2C3CC[C@@]4(C)CCC(=C)CC4(C)C3CCC12C
MolPort-002-525-934 0.71 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-006-111-741 0.71 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-038-948-537 0.71 CCCCC=C1CCC(CC(O)=O)CC1
MolPort-009-194-534 0.71 OCC1CCC(=C)CC1
MolPort-003-993-778 0.71 OC(CC1CC2CC1C=C2)(C(F)(F)F)C(F)(F)F
MolPort-005-909-640 0.71 CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)C3CC[C@]12C
MolPort-001-740-913 0.71 C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-046-697-369 0.71 C\C1=C\CC(C)(CO)C(O)C2CC2(C)C(O)CC1
MolPort-035-706-406 0.71 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12
MolPort-039-052-704 0.71 CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-038-948-469 0.71 CCC=CC1CCC(CC1)C(O)=O
MolPort-003-665-516 0.71 CC(=C)C1CCC(CO)=CC1
MCULE-1283574747 0.70 C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
MCULE-5384515579 0.70 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
MCULE-8056155072 0.70 C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-8629297693 0.70 C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
MCULE-1144217583 0.70 C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-5702475533 0.70 C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
MCULE-4082238737 0.70 C1(O)C2(C)C3(C)C(C1C(=C)CC2)(C)CCC3
MCULE-5074709635 0.70 C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
MCULE-4737898468 0.70 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
MCULE-6957829896 0.70 [C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
MCULE-8651982947 0.70 C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2411412323 0.70 C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
MCULE-2298294846 0.70 C12(C)C(=CC(OC)CC1)CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
MCULE-9341959688 0.70 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
MCULE-1877150050 0.70 C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
MCULE-1918074338 0.70 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-8031195256 0.70 [C@]12(C(=C[C@@H](O)CC1)[C@@H](C[C@@]1([C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)C)[H])O)C
MolPort-035-706-314 0.70 CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-006-126-388 0.70 CC(C)(O)CCCC1=CCC(CC1)C=O
MolPort-039-338-097 0.70 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-038-386-525 0.70 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-006-069-138 0.70 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-035-706-537 0.70 CC1(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@@]2(C)C(=O)C1
MolPort-046-790-430 0.70 CO[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C
MolPort-038-386-024 0.70 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-044-562-375 0.70 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](O)C(C)(C)C1CC3)C(O)=O
MolPort-046-596-589 0.70 CC(=O)C12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-039-052-641 0.70 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-046-790-494 0.70 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O
MolPort-046-196-745 0.70 C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
MolPort-039-052-485 0.70 CC(C)(O)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-044-564-431 0.70 CC(=O)C12CC=CC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-046-702-693 0.70 CC(CCC1OC1(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-039-338-840 0.70 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-035-706-538 0.70 CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-002-526-219 0.70 CC(=O)[C@@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-007-567-460 0.70 CC(=O)C12CC=CCC1CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-001-740-226 0.70 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(=C)C3)C(O)=O
MolPort-009-014-456 0.70 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-740-301 0.70 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(O)(CO)C3)C(O)=O
MolPort-002-841-841 0.70 CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
MolPort-002-522-252 0.70 C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@]21CCO1
MolPort-006-069-379 0.70 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-035-882-134 0.69 CCCC\C=C/CCCCCCCCC(O)=O
MolPort-046-763-123 0.69 CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-046-426-181 0.69 CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-046-158-412 0.69 CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2C1
MolPort-044-727-743 0.69 CCCC\C=C\CCCCCCCCC(O)=O
MolPort-035-706-450 0.69 C[C@H]1[C@H](CO)CC[C@@]2(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]12)C(O)=O
MolPort-046-596-387 0.69 CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-793-201 0.69 C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-508-765 0.69 OC(=O)C[C@H]1CCC=CC1
MolPort-019-936-837 0.69 CC(C)C1=CC2C(CC[C@]2(C)O)[C@](C)(O)CC1
MolPort-046-594-421 0.69 CC(C)C1=CC2C(CCC2(C)O)C(C)(O)CC1
MolPort-028-754-239 0.69 CC(=C)[C@H]1CC[C@@](C)(O)C=C1
MolPort-023-332-900 0.69 CC(=C)[C@@H]1CC[C@](C)(O)C=C1
MolPort-046-147-914 0.69 O[C@H]1[C@@H](O)[C@@H]2C[C@H]1C=C2
MolPort-022-366-503 0.69 OC(=O)CC1CCC=CC1
MolPort-046-417-742 0.69 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
MolPort-046-691-031 0.69 [2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
MolPort-046-289-128 0.69 CC(O)(CN)C1CC2CC1C=C2
MolPort-039-052-288 0.69 CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1
MolPort-046-693-157 0.69 CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
MolPort-046-765-340 0.69 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-021-804-810 0.69 CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-046-596-401 0.69 C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-046-764-442 0.69 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-046-765-305 0.69 CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
MolPort-046-765-861 0.69 [2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MolPort-019-997-276 0.69 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
MolPort-046-793-369 0.69 [2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MolPort-046-690-504 0.69 C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-329 0.69 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-046-596-410 0.69 C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MCULE-1804046736 0.69 O[C@@]1(CC[C@H](C(=C)C)C=C1)C
MCULE-7270634760 0.69 OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-5285146625 0.69 C1C[C@@](C=C[C@@H]1C(=C)C)(O)C
MCULE-6263706719 0.69 CC(C1CCC(O)(C)C2CCC(O)(C)C2C=1)C
MCULE-1528374574 0.69 OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-7417377682 0.69 OC(C1(CC1)CC1CC=CCC1)=O
MCULE-8695225283 0.69 C1(C)(O)CCC(C(C)=C)C=C1
MCULE-3296869529 0.69 C=C(C)[C@H]1CC[C@](O)(C)C=C1
MCULE-5859140606 0.69 CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-3949524970 0.69 C1=C(C(C)C)CC[C@@](C)(O)C2CC[C@](C)(O)C12
MCULE-4002345426 0.69 C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MCULE-9740850124 0.69 O[C@@]1([C@]2([H])[C@@]([C@](CCC(=C2)C(C)C)(C)O)([H])CC1)C
MCULE-5041065055 0.69 [C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C=C(C(C)C)CC[C@]2(O)C
MCULE-4980717954 0.69 C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-1679369036 0.69 [C@@]1(C)(O)CC[C@@H](C(C)=C)C=C1
MCULE-1202438669 0.69 C1C=CCCC(C(O)=O)CC1
MCULE-2170508823 0.69 C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-8852979871 0.69 C1(C)(O)CC(CC=C1C)C(C)=C
MCULE-6438933973 0.69 CC(C(CC1CC=CCC1)=O)(O)C
MCULE-5364659016 0.69 [C@H]1(CC2[C@](C)(CC1)[C@]1([H])C([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)C=C[C@@H](C(C)C)C)CC3)=CC=2)O
MCULE-8862999040 0.69 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)C=C[C@H](C)C(C)C)CC[C@@]4([H])C3=CC=C2C[C@H]1O
MCULE-1657159254 0.69 [C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
MCULE-7998597001 0.69 C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
MCULE-9504992977 0.69 CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCCC=3
MCULE-3600015331 0.69 C12=CC=C3C(C)(CCC(O)C3)C1CCC1(C)C(CCC12)C(C)C=CC(C)C(C)C
MCULE-1990275167 0.69 C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-3945869814 0.69 C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
MCULE-4464327459 0.69 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-7293614355 0.69 C/C(/C)=C/C1(C2C=CC(C2)C1)O
MCULE-3333652397 0.69 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
MCULE-4861738664 0.69 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC=C2C[C@H]1O
MCULE-7633761938 0.69 C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MCULE-1660040884 0.69 C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
MCULE-8721567365 0.69 [C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
MCULE-6557448423 0.69 C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
MCULE-7400696054 0.69 C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
MCULE-5063748511 0.69 C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-9131674305 0.69 O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
MCULE-9539653799 0.69 [H]C12CC(OC)=CCC1(C)C1CCC3(C)CCCC3C1CC2
MCULE-1065645853 0.69 [C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
MCULE-3869550337 0.69 C1(CC2CC1C=C2)C(C)(O)C#C
MCULE-1294118086 0.69 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
MCULE-5274452426 0.69 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
MCULE-3946245376 0.69 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
MCULE-6321176841 0.69 C12CC(CC1C(O)C#C)C=C2C
MCULE-3841271177 0.69 C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-3503711899 0.69 [C@]12(CC)CC([C@]3([H])[C@@]4([H])CCCC=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)C#C)=C
MCULE-2611554707 0.69 C12(C)CCCC(C)(CO)C1CCC(=C)C2CCC(C)(O)C=C
MCULE-7805667631 0.69 C(C)(=C)C1CCC2(C)CCC3(C)C(C21)CCC1C3(C)CCC2CC(O)(C(O)(C)C)CCC21C
MCULE-8544282007 0.69 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
MCULE-5616785989 0.69 C12(C)C(C)CCC=C1CCC(C(C)=C)C2
MCULE-5756833407 0.69 [C@]12(C)[C@H](C)CCC=C1CC[C@@H](C(=C)C)C2
MCULE-1430857505 0.69 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-8708469018 0.69 [C@]12(C)CCCC(C)(C)C1CCC(C)(O)C2CCC(=C)C=C
MCULE-8327062145 0.69 [C@@]123[C@H](C)CC[C@@]1([H])C([C@H](C(C)=CC2)C3)(C)C
MCULE-9345089020 0.69 C1CC2C(C)(C)C3C(C)=CCC2(C3)C1C
MCULE-1652497439 0.69 C1C[C@]2(C)CC[C@@H](C(O)(C)C)C[C@@]2([H])C(=C)[C@@H]1O
MCULE-8068904503 0.69 C12CCCC31CC(C=C3)C2
MCULE-9758894215 0.69 C12(C)CC=CC1(C)C1CC2CC1
MCULE-9779509739 0.69 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C=C)(O)CCC3C1CC2
MCULE-2789395858 0.69 C1C[C@]2(C)CC[C@@H](C(=C)CO)C[C@@]2([H])[C@@](O)(C)C1
MCULE-8905536335 0.69 [C@]12([H])C(CCC[C@]1(C)CCC(C(C)(CO)O)C2)=C
MCULE-2796363664 0.69 C12(C)CCC(CC1(CC=C)O)C2(C)C
MCULE-5997570138 0.69 C(=CC(O)CC(C)C)CCCCCC
MCULE-5419694681 0.69 OCC1(C2CCCCCC2)CC=CC1
MCULE-2422158635 0.69 C1C[C@]2([H])[C@@](C)(CC/C(=C/CO)/C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-8741315276 0.69 C(/C)(\C)=C/CCC(O)(C)C(O)CO
MCULE-9458964114 0.69 C/C(/C)=C/CCC1CCCCC(O)C=1
MCULE-3248745724 0.69 C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MCULE-8798348917 0.69 C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-6044533117 0.69 OC(CCCCCCC/C=C\CCCCCCCC)=O
MCULE-8054022250 0.69 C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-8191255112 0.69 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MCULE-3046418352 0.69 CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-9914820446 0.69 C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-7592205580 0.69 C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-1046270451 0.69 OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-7702176615 0.69 CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-5077473579 0.69 C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-7761893081 0.69 C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-9547538729 0.69 CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-004-957-971 0.69 CC1=CC2CC(C(O)C#C)C1C2
MolPort-001-762-111 0.69 CC1CC2CC1C=C2
MolPort-001-740-137 0.69 CCCCCC\C=C/CCCCCCCC(O)=O
MolPort-003-933-080 0.69 CCCCCC\C=C/CCCC(O)=O
MolPort-001-780-043 0.69 CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
MolPort-002-729-398 0.69 CC1(C)C2CCC1(C)C(O)(CC=C)C2
MolPort-001-742-392 0.69 CC(O)(CO)C1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
MolPort-006-119-713 0.69 CC1CCC2C(C)(C)C3CC12CC=C3C
MolPort-002-507-184 0.69 C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C
MolPort-005-910-094 0.69 CC1CCC=C2CCC(CC12C)C(C)=C
MolPort-000-124-379 0.69 CC(O)(CCC1C(=C)CCC2C(C)(CO)CCCC12C)C=C
MolPort-009-019-328 0.69 CCCCC\C=C/CCCCCCC\C=C/CCCC(O)=O
MolPort-003-933-186 0.69 CCCCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-006-112-294 0.69 CCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-003-849-687 0.69 CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-003-959-881 0.69 CCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-003-959-363 0.69 CCCCCCCCCCC\C=C/CCCCC(O)=O
MolPort-001-739-604 0.69 CC(C)CCCCCC\C=C/CCCCC(O)=O
MolPort-003-959-025 0.69 CCCCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-958-761 0.69 CCCC\C=C\CCCCCCCC(O)=O
MolPort-003-958-711 0.69 CCCC\C=C/CCCCCCCC(O)=O
MolPort-006-169-615 0.69 CCCCCC\C=C\CCCCCCCC(O)=O
MolPort-009-019-050 0.69 CCCCCCCC\C=C/CCCCCC(O)=O
MolPort-003-933-468 0.69 CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-941-733 0.69 CCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-925-831 0.69 CCCCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-001-788-274 0.69 CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-003-941-268 0.69 CCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-939-503 0.69 CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
MolPort-009-019-234 0.69 CCCCC\C=C/CCCCCCCCCCCCC(O)=O
MolPort-000-882-023 0.69 CCCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-001-741-746 0.69 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@H]12
MolPort-002-507-282 0.69 CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-740-488 0.69 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1
MolPort-002-524-392 0.69 CC1(C)CCC[C@]2(C)[C@@H](CCC(=C)C=C)[C@](C)(O)CC[C@@H]12
MolPort-003-846-424 0.69 CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-000-146-103 0.69 CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-004-285-983 0.69 CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-003-846-425 0.69 [2H]C1([2H])C[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@]2(CC)[C@]1(O)[13C]#[13CH]
MolPort-005-937-958 0.69 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-526-059 0.69 C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-000-849-625 0.69 CC(C)C(C)\C=C\C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-006-069-421 0.69 C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-507-387 0.69 C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-507-240 0.69 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-911-148 0.69 CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
MolPort-002-911-080 0.69 C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-002-526-836 0.69 C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-002-531-054 0.69 CC(C)C(C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-740-045 0.69 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-532-755 0.69 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-849-312 0.69 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-003-663-637 0.69 OC(=O)C1CCC\C=C/CC1
MolPort-003-927-460 0.69 CC(=C)[C@@H]1CC=C(C)C(O)C1
MolPort-003-959-979 0.69 CC(=C)C1CC=C(C)C(O)C1
MolPort-002-911-071 0.69 C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
MolPort-002-506-897 0.69 CC(O)(C#C)C1CC2CC1C=C2
MolPort-001-785-932 0.69 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-005-944-959 0.69 CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
MolPort-002-911-141 0.69 CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-527-294 0.69 CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-520-919 0.69 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
MolPort-000-703-193 0.69 CC1(C)CCC[C@]2(C)C(CCC(=C)C=C)C(C)(O)CCC12
MolPort-002-526-489 0.69 C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C
MolPort-009-019-440 0.69 CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
MolPort-006-111-052 0.69 C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-911-151 0.69 C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
MolPort-044-876-088 0.69 OC1CCCC1=C1CCCC1
MolPort-039-338-212 0.69 C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-039-052-492 0.69 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-039-142-052 0.69 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO
MolPort-039-052-694 0.69 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-044-723-381 0.69 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-044-723-367 0.69 CC(C)(O)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1
MolPort-029-938-328 0.69 CC(O)(CC1CC2CCC1C2)C=C
MolPort-046-153-158 0.69 CC(=C)C1CCC2(C)C(O)CCC(C)(O)C2C1
MolPort-029-939-358 0.69 OC(CC1CC2CCC1C2)C=C
MolPort-046-793-033 0.69 CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C(C)C2[C@@H]13
MolPort-038-386-074 0.69 CC(C)=CCCC(C)(O)C(O)CO
MolPort-039-337-113 0.69 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C)=C\CO
MolPort-029-887-077 0.69 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)CO
MolPort-039-010-546 0.69 OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-044-727-744 0.69 CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-044-650-172 0.69 CCCCCCCCCCCCCC\C=C\CCCC(O)=O
MolPort-023-332-220 0.69 OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-028-747-803 0.69 CCCCCCC=CCCCCCCCC(O)=O
MolPort-028-747-855 0.69 CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-046-426-229 0.69 CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-021-804-454 0.69 CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-001-742-404 0.68 C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-035-706-545 0.68 C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C
MolPort-003-873-328 0.68 C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-006-668-475 0.68 CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-008-427-020 0.68 CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
MolPort-027-835-585 0.68 C[C@H]1[C@@H]2[C@H]3CC[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(C)CCC1=C
MolPort-035-766-462 0.68 C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
MolPort-019-997-831 0.68 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-046-688-727 0.68 C\C(C=C)=C\C[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C
MolPort-046-596-275 0.68 C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-044-195-029 0.68 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
MolPort-044-183-250 0.68 C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-307 0.68 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@](C)(CC(O)=O)[C@@H](CC3)C(C)(C)C=O
MolPort-006-111-540 0.68 CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MolPort-035-705-940 0.68 CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CCC1=C[C@](C)(CC[C@@]21O)[C@@H](O)CO
MolPort-002-519-758 0.68 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)C3CC[C@]12C
MolPort-008-155-613 0.68 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-006-126-485 0.68 CCCCCCCC\C=C/CCO
MolPort-002-893-729 0.68 OC(=O)C1CC2CCC1C=C2
MolPort-035-706-394 0.68 CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12
MolPort-019-857-808 0.68 CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-006-394-855 0.68 [2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-007-980-884 0.68 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-003-666-072 0.68 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-008-322-980 0.68 CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
MolPort-003-848-092 0.68 C[C@@H]1CC2=C(CC[C@H](O)C2)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12
MolPort-001-739-868 0.68 CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC\C(C)=C\CC\C(C)=C\CO
MolPort-005-938-470 0.68 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-005-932-301 0.68 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-006-167-660 0.68 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1
MolPort-005-934-866 0.68 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-003-855-417 0.68 CC1=C2CC(C)(C)C(O)CC(=C)C2CC1
MolPort-013-972-327 0.68 NC(CO)C1CCC=CC1
MolPort-035-706-326 0.68 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-046-761-852 0.68 [2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C/C=C1C[C@@H](O)C[C@H](O)C1)C([2H])([2H])[2H]
MolPort-019-940-199 0.68 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-761-956 0.68 CC[C@]12CC(=C)[C@H]3[C@@H](CC=C4CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-039-052-646 0.68 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-039-141-884 0.68 C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
MolPort-035-758-343 0.68 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
MolPort-035-706-502 0.68 C[C@H]1[C@@H](C[C@H](O)[C@]2(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]12)C(O)=O
MolPort-038-941-682 0.68 CC(C)C(C)\C=C\C(C)C1CCC2\C(CCCC12C)=C\C=C1\CC(O)CCC1=C
MolPort-039-338-094 0.68 CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C[C@@H](O)[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-001-740-057 0.68 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-046-793-264 0.68 CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-039-242-365 0.68 OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-046-702-702 0.68 [2H]C([2H])([2H])C([C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-039-141-882 0.68 C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
MolPort-039-139-840 0.68 [2H]C([2H])=C1CC[C@H](O)C\C1=C(/[2H])\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)\C=C\[C@H](C)C(C)C
MolPort-039-052-607 0.68 C[C@H]1[C@@H](C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-039-138-901 0.68 C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-062-015 0.68 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-027-835-865 0.68 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-046-690-137 0.68 CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-835-537 0.68 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-046-417-306 0.68 [2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)C([2H])([2H])[2H]
MolPort-046-418-815 0.68 C[C@@H]1CC2=C(CCC(=C)C2)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12
MolPort-046-419-512 0.68 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1
MolPort-046-773-768 0.68 [2H]C([2H])=C1CC[C@H](O)C\C1=C(/[2H])\C=C1/CCC[C@]2(C)C(CCC12)[C@H](C)\C=C\[C@H](C)C(C)C
MolPort-046-773-769 0.68 [2H]C([2H])([2H])C([C@@H](C)\C=C\[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-023-220-689 0.68 C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-023-220-126 0.68 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-023-219-645 0.68 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
MolPort-046-594-326 0.68 CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-046-690-133 0.68 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-035-681-549 0.68 C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-826 0.68 [2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-035-706-224 0.68 CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-002-510-661 0.68 CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-526-228 0.68 C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-002-526-645 0.68 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-002-530-358 0.68 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-046-153-807 0.68 C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-035-706-288 0.68 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-042-675-527 0.68 CC(CC(O)C1OC1(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C
MolPort-035-706-427 0.68 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@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-027-847-264 0.68 CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C=O)C3CC[C@]12C
MolPort-000-772-330 0.68 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-001-742-604 0.68 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-002-507-130 0.68 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-002-507-146 0.68 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-742-443 0.68 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
MolPort-001-785-920 0.68 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
MolPort-002-507-411 0.68 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
MolPort-027-853-629 0.68 CC(CCO)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
MolPort-001-837-773 0.68 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
MolPort-000-738-106 0.68 CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-000-739-076 0.68 C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
MolPort-002-524-552 0.68 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
MCULE-7435319307 0.68 CC1(C(CC2CC=CCC2)O)C(F)C1
MCULE-5541619791 0.68 [C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MCULE-9840181952 0.68 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-5156544049 0.68 CC(C(C1(CC=CCC1)N)C)O
MCULE-8295119802 0.68 C1C(O)(C2(O)CC(C)(C)CC(C)=C2)CC(C)(C)CC=1C
MCULE-8928261768 0.68 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-4975286883 0.68 C1CC(CC2CCCO2)CCC=1C
MCULE-1451433715 0.68 CC(CC1(CC=CCC1)N)(O)C
MCULE-4428892848 0.68 C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-9024921933 0.68 OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-3164439099 0.68 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=C[C@@H](O)[C@@]2(O)C[C@H]1O
MCULE-5939123776 0.68 C1C(O)C2(O)CC(O)CCC2(C)C2CCC3(C)C(C(C)/C=C/C(C)C(C)C)CCC3C=12
MCULE-3069989292 0.68 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
MCULE-9449984869 0.68 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-7903486032 0.68 C1CC2(C)C3CCC4(C)C(C(C)CC(O)C5OC5(C)C)CCC4(C)C3=CCC2C(C)(C)C1O
MCULE-9151137367 0.68 O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
MCULE-7356968618 0.68 [H]C12C3(C)CCC(O)CC3(O)C(O)C=C1C1CCC(C(C)C=CC(C)C(C)C)C1(C)CC2
MCULE-1842199780 0.68 C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
MCULE-9605328516 0.68 C(CC)(C)(C)C1CC=CCC1
MCULE-6619141408 0.68 C1CC2CC(=C3CC4CCC5CCC3C54[H])C3CCC1C23[H]
MCULE-6864358337 0.68 C1C(C(C)C)=CCC(C(C)C)C1
MCULE-4277793393 0.68 C1C[C@]2(C)[C@@H](CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CCC3=C)C(=C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-4997792867 0.68 C1(CCCCC1)C=CC1CCCCC1
MCULE-8269042633 0.68 C/C(/C)=C/CCC1(C(C)(C)CC1)O
MCULE-9916024007 0.68 CC1C(C)C(CC/C=C(\C)/C)(O)C1
MCULE-5615754711 0.68 CC1C(CC/C=C(\C)/C)(O)CC1
MCULE-5999515637 0.68 C123CC=CCC41C2C4CC3
MCULE-2562092030 0.68 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](CO)(C)C1
MCULE-3378192975 0.68 C12=C(C)CCC1C(=C)CC(O)C(C)(C)C2
MCULE-4612448515 0.68 OC/C=C(/CC/C=C(/CCCC(CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CC/C=C(\C)/C)(O)C)\C)\C
MCULE-6489336257 0.67 OC1(CC2CC(CC2)C1)CCC=C
MolPort-035-706-275 0.67 CC(C)[C@@H](O)[C@H]1CC[C@]2(C)[C@@H]1C(=C)CC[C@H]2O
MolPort-035-918-587 0.67 OC(=O)C1CCC=CCC1
MolPort-028-962-365 0.67 CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-035-784-288 0.67 O.CC1(C)CC[C@@]2(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]2C1)C(O)=O
MolPort-044-560-404 0.67 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)CC(O)(C(F)(F)F)C(F)(F)F
MolPort-035-706-395 0.67 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-035-706-276 0.67 CC(=C)C[C@H]1CC[C@]2(C)[C@@H]1C(=C)CC[C@H]2O
MolPort-028-599-902 0.67 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C
MolPort-020-005-912 0.67 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-531 0.67 CC1(C)CC[C@]2(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]2C1
MolPort-044-723-428 0.67 [Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
MolPort-039-009-099 0.67 CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-039-138-853 0.67 CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O
MolPort-028-599-901 0.67 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-039-338-968 0.67 CC1(C)CC[C@@]2(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]2C1)C(O)=O
MolPort-039-342-455 0.67 CC(O)(CCC1C(=C)CC(O)C2C(C)(C)CCCC12C)C=C
MolPort-042-675-343 0.67 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-044-831-841 0.67 OC(=O)CC1CCC=CCC1
MolPort-046-153-713 0.67 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-689-498 0.67 C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-788-533 0.67 CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-027-834-998 0.67 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-046-153-724 0.67 CC(C)[C@@H]1CCC(=C)[C@@H]2CC[C@](C)(O)[C@@H](O)[C@@H]12
MolPort-044-193-919 0.67 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
MolPort-035-706-374 0.67 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-039-338-119 0.67 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-027-835-590 0.67 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[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-039-338-183 0.67 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-039-052-499 0.67 CC(=C)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1
MolPort-042-675-446 0.67 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(O)CC(O)C12C
MolPort-039-338-864 0.67 C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
MolPort-006-116-655 0.67 [Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-118-208 0.67 [Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-002-507-433 0.67 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-008-430-076 0.67 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O
MolPort-003-983-927 0.67 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-000-729-105 0.67 CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-002-800-510 0.67 CC(C)(C)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
MolPort-002-507-280 0.67 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-002-534-996 0.67 C[C@@H]1CCC2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-007-980-916 0.67 CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-001-981-673 0.67 CC(O)(CC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C
MolPort-003-939-637 0.67 C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
MolPort-001-740-468 0.67 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
MCULE-4107589111 0.67 NC1(C2C(O)CCC2)CC=CCC1
MolPort-035-706-309 0.67 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
MCULE-7087103660 0.67 [C@]12(C)CCCC(=CC=C3C[C@@H](O)CCC3=C)C1CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C
MolPort-004-955-261 0.67 CC1(C)CC[C@@]2(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]2C1)C(O)=O
MCULE-6552675485 0.67 C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
MolPort-002-525-147 0.67 C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1C)C(O)=O
MCULE-6658871248 0.67 C1(=C)CC2=C(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@](O)(C#C)CC3)[C@H](C)C2
MolPort-001-740-955 0.67 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
MCULE-2582517969 0.67 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MolPort-001-741-050 0.67 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
MCULE-8997971805 0.67 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MolPort-005-911-223 0.67 CC(O)(CC1[C@@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MCULE-1566569432 0.67 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
MolPort-006-111-036 0.67 [Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MCULE-4676598997 0.67 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
MolPort-006-111-035 0.67 [K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MCULE-8934502311 0.67 C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
MolPort-002-514-284 0.67 CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MCULE-3959902732 0.67 OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MolPort-001-736-568 0.67 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MCULE-4841780318 0.67 C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
MCULE-3703527744 0.67 O[C@H]1CCC(=C)C(C1)=CC=C1CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C=C[C@H](C)C(C)C)C
MCULE-4839802180 0.67 [C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
MCULE-3390693428 0.67 C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
MCULE-8236025452 0.67 [C@@]12([H])CC[C@]([H])([C@H](C)C=C[C@H](C)C(O)(C)C)[C@@]1(C)CCCC2=C/C=C1/C[C@H](C[C@H](O)C/1)O
MCULE-3135517908 0.67 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
MCULE-4728366427 0.67 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
MCULE-4156088837 0.67 O[C@@H]1C/C(=C/C=C2/[C@@]3(CC[C@@]([C@@H](/C=C/[C@@H](C(C)(O)C)C)C)([H])[C@@]3(C)CCC/2)[H])/C[C@@H](O)C1
MCULE-1251158415 0.67 [C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
MCULE-9853941800 0.67 CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-3741444667 0.67 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-5054990207 0.67 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
MCULE-6305022030 0.67 C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
MCULE-5560129850 0.67 C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
MCULE-7591106214 0.67 C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
MCULE-7141131980 0.67 [C@]12(C)CCCC(=CC=C3C[C@H](CCC3=C)O)[C@]1([H])CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C
MCULE-9400998227 0.67 NC1(CC=CCC1)CC1(CCCC1)O
MCULE-2147959975 0.67 C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
MCULE-1412596642 0.67 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
MCULE-2787197632 0.67 [C@]12(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3)/[C@@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O
MCULE-7594782797 0.67 CC1(C(C2(CC=CCC2)N)CCC1)O
MCULE-4229025147 0.67 C1[C@H](O)CC(=CC=C2CCC[C@]3(C)[C@@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@@]23[H])C(=C)C1
MCULE-9549608104 0.67 C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
MCULE-3193472577 0.67 C1C[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@]2([H])/C(=C/C=C2/C[C@@H](O)CCC/2=C)/C1
MCULE-9848650209 0.67 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-5624348400 0.67 C1(C(=O)O)CC2C=CC1CC2
MCULE-8197236760 0.67 CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
MCULE-6975405195 0.67 C12(C)CCCC(=CC=C3CC(O)CCC3=C)C1CCC2C(C)C=CC(C)C(C)C
MCULE-9569994888 0.67 CC(C(C12CCCC1C2)O)=C
MCULE-9126151472 0.67 CCC(CC1(CC=CCC1)N)(O)C
MCULE-2616770713 0.67 C1C[C@]23C[C@@]42CC[C@]2(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C)CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@H](C)[C@H]1O
MCULE-3143886740 0.67 C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-1546851504 0.67 C1[C@@H](O)[C@]2(C)CC[C@]([H])(CC(C)=C)[C@@]2([H])C(=C)C1
MCULE-4538160194 0.67 OC(C12CCCC1C2)CC=C
MCULE-8193803152 0.67 CC1([C@H](CC[C@@]2(C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](C(C/C=C(\C)/C)O)C)C=3C(=O)C[C@@]12[H])C)O)C
MCULE-3222494622 0.67 C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-6217200752 0.67 O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
MCULE-4880234006 0.67 C[C@]12CC[C@@]3([H])[C@](CC=C4[C@]3(C)CC[C@H](O)C4)([H])[C@]1([H])CC[C@@H]2[C@@H](CC(C(F)(F)F)(C(F)(F)F)O)O
MCULE-2356143153 0.67 OC(C12CCCC1C2)C=C
MCULE-7833816069 0.67 C1=CC2C=CC3C(O)CC1C23
MCULE-5818791588 0.67 C12(C)CCC3C(CC=C4CC(OC)(OC)CCC34C)C1CCC12CO1
MCULE-7124383227 0.67 C1[C@](O)(C)[C@@H](O)C[C@H](C(C)=C)C1
MCULE-6629316076 0.67 O=C1C(=CO)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-2867849826 0.67 C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)(C)C
MCULE-2467601128 0.67 C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-5926783574 0.67 C1C(O)C2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-4188975486 0.67 O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MCULE-1308336736 0.67 C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
MCULE-2893862044 0.67 [Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-6062917578 0.67 C/C(/C)=C/CCC1CCC(O)C=1
MCULE-4612736693 0.67 C1C[C@@]2([H])C(=C)CC[C@@H](C(C)C)[C@]2([H])[C@H](O)[C@@]1(C)O
MCULE-2611969931 0.67 [C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-9485824567 0.67 C1[C@@H](O)[C@]2(C)CC[C@]([H])([C@H](O)C(C)C)[C@@]2([H])C(=C)C1
MCULE-1618072645 0.67 C12(C)CCCC(C)(C)C1CCC(C)(O)C2CC(C)(O)C=C
MCULE-9335086572 0.67 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-7088367969 0.67 [C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
MCULE-1085189678 0.67 C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CC(O)(C(F)(F)F)C(F)(F)F)O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
MCULE-7929696567 0.67 C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
MCULE-8080610827 0.67 [H]C12CCCCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C31C(C2)O3
MCULE-8721262408 0.67 C12(C)CCCC(C)(C)C1C(CC(=C)C2CCC(C)(O)C=C)O
MCULE-5948139424 0.67 C1[C@H](O)CC2=CCC3C4[C@@H]5C[C@@H]5[C@](CCC(OC)OC)(O)[C@@]4(C)CCC3[C@@]2(C)C1
MCULE-5532688938 0.67 C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
MCULE-6888052424 0.67 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-6767000432 0.67 C1CCC(C(O)=O)CCC=1
MCULE-8045386580 0.67 C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-4970158231 0.67 OC1C(O)CC2=C(CC=CC2)C1
MCULE-9474095410 0.67 [C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-7047829471 0.67 NC1CCC(CC2CC=CC2)(O)CC1
MCULE-5111117747 0.67 C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-4202024247 0.67 C1(O)C(CC(C)(O)C)C(C=C)CC1
MCULE-7510220469 0.67 C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
MCULE-7787379653 0.67 C(/C)(\C)=C(/CO)\CCC(C)C
MCULE-4080553011 0.67 C12([H])CCC1([H])C=CC2(O)[H]
MCULE-8031555619 0.67 CC(C=C1CC2CC(CC2)C1)O
MCULE-7742143837 0.67 CC(C(CC1(CC=CCC1)N)(O)C)C
MCULE-6367656540 0.67 C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
MCULE-8814843421 0.67 OC1(C=C)CC2CC(CC2)C1
MCULE-7389088307 0.67 C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@]2([C@H](CC(C(F)(F)F)(O)C(F)(F)F)O)[H]
MCULE-1068095495 0.67 OC1(CCC(=O)CC1)CC1CC=CC1
MCULE-8929072625 0.67 CC(C(CC1(CC=CCC1)N)O)(C)C
MCULE-1841707227 0.67 CC(C1(CC2CC(CC2)C1)O)=C
MCULE-5064546197 0.67 [C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
MCULE-6380276570 0.67 OC1(CC2CC(CC2)C1)CC=C
MCULE-2705141143 0.66 [C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
MCULE-9452295969 0.66 OC1(C2C=CC(C2)C1)CCC#C
MCULE-4914143446 0.66 C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
MCULE-2999920945 0.66 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-1857694923 0.66 [C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
MCULE-5677861178 0.66 [C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
MCULE-4970766691 0.66 C12C=CCC1C1C(OCC=C)CC2C1
MCULE-2506870963 0.66 C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
MCULE-4462833615 0.66 C1C[C@]2(C)[C@@H]([C@@H](C=C[C@@H](C(O)(C)C)C)C)CC[C@@]2([H])C(=CC=C2C(=C)CC[C@@H](O)C2)C1
MCULE-9765892541 0.66 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-8986861639 0.66 C[C@@H](/C=C/[C@H]([C@H]1CC[C@]2(/C(=C/C=C3\C(=C)CC[C@@H](O)C\3)/CCC[C@]12C)[H])C)C(C)(O)C
MCULE-7626806338 0.66 C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-9620512242 0.66 C1CC2(C(O)(CO)C(=CC(C2C(C)(C1)C)O)CO)C
MCULE-1496012914 0.66 C1CC2(C)C(CO)=C(C)C(O)C(O)C2C(C)(C)C1
MCULE-8784179360 0.66 OC1(C2CCCCC=2)C2C=CC(C2)C1
MCULE-2570487264 0.66 OC(C1C2C=CC(C2)C1)=O
MCULE-8064865310 0.66 C=C1/C(=C\C=C2/CCC[C@@]3([C@H](CC[C@@]/23[H])[C@@H](/C=C/[C@@H](C(O)(C)C)C)C)C)/C[C@@H](O)CC1
MCULE-2400907851 0.66 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-2458465887 0.66 O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
MCULE-1153477483 0.66 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-8877595522 0.66 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-3473010637 0.66 O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
MCULE-3023348221 0.66 C1(C)(CC2CC1C=C2)C(O)=O
MCULE-9942267030 0.66 C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
MCULE-7026230108 0.66 CC(C1(CC=CCC1)N)CO
MCULE-5225411148 0.66 C12(C)CCCC(C)(C)C1CCC(C)(O)C2C=CC(C)=O
MCULE-4390896731 0.66 C1(CCC(C)(O)C#C)C(C)(C)CCCC=1C
MCULE-8724039454 0.66 NC1(CC=CCC1)CCO
MCULE-1913114708 0.66 OC/C=C(\C)/CC/C=C(/CCC(C(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(C)(CCCC(C)(CCCC(O)(C)C)O)O)O)\C
MCULE-8361618515 0.66 OC/C=C(/CC/C=C(/CCC(C(CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CCCC(O)(C)CC/C=C(\C)/C)(O)C)O)\C)\C
MCULE-9142574238 0.66 C1C(C(OC)C)C(C)=CCC1
MCULE-4355237427 0.66 CC(CC1(CC=CCC1)N)(CO)C
MCULE-1778365802 0.66 CC(CC1(CC=CCC1)N)CO
MCULE-9153738942 0.66 C(CCCCC=CC(C)C)(O)=O
MCULE-2262104065 0.66 CCCCCCC=C(C(O)C)C
MCULE-5658893659 0.66 CC(C(C=CCCCCCC)O)C
MCULE-1466637402 0.66 CC(C=C(CC1CCCC1)C)O
MCULE-2740451288 0.66 CC(C=C(CC1CCCCC1)C)O
MCULE-7401121675 0.66 CC(CO)=CCCC(CCO)C
MCULE-6770484471 0.66 CC(C(CC1CCCC1)(O)C)=C
MCULE-1364206981 0.66 CC(C=C)(CC1CCCC1)O
MCULE-1672318153 0.66 C(C)(C)(O)C(O)CCC(C)C=C
MCULE-2678449677 0.66 C1(O)(CC=C)CCCCC1
MCULE-5841352334 0.66 C1(CCO)C(=C)CCCC1C
MCULE-6038724907 0.66 CC1([C@@]2(C[C@]1(CC=C2C)[H])[H])C
MCULE-5334604577 0.66 C12(C)CCCC31C(C)CCC3(C)C(C)=C2
MCULE-2035256108 0.66 C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C[C@]3(O)CC[C@@]2([H])[C@](C)(CO)C1
MCULE-6234017937 0.66 CC(C(CC1CCCCC1)(O)C)=C
MCULE-2306445220 0.66 C1(O)(C=C)C(C)CCC(C(C)C)C1
MCULE-2632884278 0.66 CC1(C(CC=C)CCCC1)O
MCULE-8520270175 0.66 C12([H])C=CC3([H])CCC([H])(CC1)C23[H]
MCULE-6951581773 0.66 CCC(CC1C(O)(C)CCCC1)=C
MCULE-4741815186 0.66 [C@H]12C(C)=CC[C@H](C1(C)C)C2
MCULE-7120659957 0.66 C1CC2(C)C(CCC(O)(C=C)C)CCCC2C(C)(C)C1
MCULE-5148579161 0.66 CC(C[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-1023726917 0.66 C[C@@]1([C@H](CC=C)CCCC1)O
MCULE-2322169644 0.66 CC(CC1C(O)(C)CCCC1)=C
MCULE-4556255500 0.66 CCC(C[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-3867013572 0.66 [C@H]12C(C)=CC[C@H](C1(C)C)C2
MCULE-7409280646 0.66 CC1C(C)(C)C(C(CC=C)O)(C)CC1
MCULE-5014251892 0.66 CC(C=C)(CC1CCCCC1)O
MCULE-2425830614 0.66 C1(C)(O)C(C)CCC(C(C)=C)C1
MCULE-2742387399 0.66 CC1C(C)(C)C(C(C(C)=C)O)(C)CC1
MCULE-3589656574 0.66 C12C(C)=CCC(C1(C)C)C2
MCULE-3139667111 0.66 C12C3C4C5C1C(C1C5C(C4CC3(C=C)O)CC1(C=C)O)CC2
MolPort-044-624-388 0.66 OCC1(CC=C)CCCCC1
MolPort-035-706-383 0.66 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-039-333-691 0.66 OC(=O)[C@H]1C[C@@H]2C[C@H]1C=C2
MolPort-044-198-582 0.66 OCC1(CC=C)CCCC1
MolPort-046-773-766 0.66 [2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-044-561-131 0.66 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)CCC1=C
MolPort-035-706-403 0.66 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-035-706-407 0.66 CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1)C(O)=O
MolPort-042-665-991 0.66 C[C@H](\C=C\[C@@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-046-627-162 0.66 CC1C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O
MolPort-046-761-975 0.66 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)CCC1=C
MolPort-037-966-357 0.66 NCC1(CO)CC2CC1C=C2
MolPort-027-640-553 0.66 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C
MolPort-039-138-529 0.66 OCCCC1=CCC=CC1
MolPort-044-203-618 0.66 O[C@@H]1CCCC=C1
MolPort-039-338-153 0.66 CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C[C@@H](O)[C@H]12)[C@@H](O)C4=C
MolPort-045-999-272 0.66 CC1(C)C2CC1C=CC2
MolPort-046-008-579 0.66 O[C@@H]1CCC[C@H]1CC=C
MolPort-028-951-588 0.66 CC(O)(CC=C)C1CCCCC1
MolPort-046-008-744 0.66 OC1CCCCC1C=C
MolPort-039-242-498 0.66 CC1(C)[C@H]2CC[C@]1(C)C=C2
MolPort-039-338-367 0.66 C[C@@]1(CC[C@@H]2[C@@]3(C)CCC[C@@](C)(CO)[C@@H]3CC[C@@]2(O)C1)C=C
MolPort-038-387-157 0.66 O[C@@H]1CCCC[C@H]1CC=C
MolPort-028-744-993 0.66 [2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-003-932-880 0.66 C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C
MolPort-003-936-684 0.66 OC1(CCCCC1)C=C
MolPort-005-944-139 0.66 CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)C(O)CC\C(C)=C\CC\C(C)=C\CO
MolPort-005-944-001 0.66 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C(CO)[C@]2(O)CO
MolPort-005-944-585 0.66 CC1=C(CO)C2(C)CCCC(C)(C)C2C(O)C1O
MolPort-001-792-423 0.66 OC(=O)C1C[C@H]2C[C@@H]1C=C2
MolPort-002-045-697 0.66 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-002-481-549 0.66 CC1(C[C@@H]2C[C@H]1C=C2)C(O)=O
MolPort-001-794-998 0.66 OC(=O)[C@H]1C[C@H]2C[C@@H]1C=C2
MolPort-002-507-128 0.66 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-001-794-999 0.66 OC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-000-145-710 0.66 CC1(CC2CC1C=C2)C(O)=O
MolPort-002-709-805 0.66 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-000-653-714 0.66 OC(=O)C1CC2CC1C=C2
MolPort-002-512-911 0.66 CC(CCC(O)C(C)(C)O)C=C
MolPort-001-742-389 0.66 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-002-025-718 0.66 CC(=O)\C=C\C1C(C)(O)CCC2C(C)(C)CCCC12C
MolPort-005-944-401 0.66 C\C(CC\C=C(/C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(C)O)=C/CO
MolPort-001-921-944 0.66 CC1=C(CCC(C)(O)C#C)C(C)(C)CCC1
MolPort-001-764-454 0.66 CC(C)\C=C\CCCCC(O)=O
MolPort-003-698-717 0.66 CC(C)\C=C/CCCCC(O)=O
MolPort-001-793-096 0.66 OC1CCCC=C1
MolPort-002-507-223 0.66 CC1=CC[C@H]2C[C@@H]1C2(C)C
MolPort-003-926-536 0.66 CC1=CCC2CC1C2(C)C
MolPort-003-895-936 0.66 C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C
MolPort-002-510-257 0.66 CC1CCC(C(O)C1)C(C)=C
MolPort-003-928-859 0.66 CC1=CC[C@@H]2C[C@H]1C2(C)C
MolPort-001-782-935 0.66 OC1CCCCC1CC=C
MolPort-006-111-348 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-506-910 0.65 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-005-944-839 0.65 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\C(CO)=C\C(O)=O
MolPort-006-394-318 0.65 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-525-628 0.65 CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
MolPort-006-394-393 0.65 CC[C@]12CC(=C)C3[C@@H](CCC4=CC(O)CC[C@H]34)C1CCC2(O)C#C
MolPort-009-623-531 0.65 CC12CCC3C(CC=C4CC(O)CCC34C)C1CC\C2=N/N
MolPort-004-786-165 0.65 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@@H](O)CC[C@]31C
MolPort-038-386-656 0.65 CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-004-786-162 0.65 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@@H](O)CC[C@]31C
MolPort-020-005-953 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-046-689-970 0.65 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-389 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-388 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-044-649-711 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-039-338-302 0.65 C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-028-599-905 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-021-783-255 0.65 CC1(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)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-046-509-061 0.65 CC(C)(O)C1=C[C@H]2[C@@H](CC[C@]2(C)O)C(=C)CC1
MolPort-046-765-461 0.65 C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
MolPort-046-762-885 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-046-765-469 0.65 C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
MolPort-046-690-063 0.65 [2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-044-649-693 0.65 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-044-561-334 0.65 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-035-706-325 0.65 CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)OC(C)=O
MolPort-046-592-687 0.65 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC\C2=N\N
MolPort-035-706-303 0.65 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
MolPort-044-183-134 0.65 CC1(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)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-027-640-938 0.65 CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-035-705-939 0.65 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3[C@@H](O)C[C@H]12)[C@@H](O)CO
MolPort-046-761-808 0.65 [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-042-675-461 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-706-299 0.65 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-035-706-386 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-039-338-353 0.65 CC1(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)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-039-338-562 0.65 CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-019-937-217 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-019-937-078 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-046-686-504 0.65 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC\C2=N/N
MolPort-046-683-739 0.65 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
MolPort-044-383-830 0.65 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=NN
MCULE-4121463357 0.65 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
MCULE-1506614979 0.65 C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=NN)C)O
MCULE-2981823417 0.65 C1CC2C(CC=C3CC(OCCC(C)C)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
MCULE-2390783905 0.65 [C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
MCULE-5974401120 0.65 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)/C(=N\N)/CC3)CC=2
MCULE-4786407254 0.65 C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
MCULE-7789504566 0.65 C12(C)CCC3(C([H])(CC=C4CC(OCCCC)CCC34C)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
MCULE-9780635677 0.65 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
MCULE-5003752801 0.65 C1CC2C(CC=C3CC(OCCC)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
MCULE-8297407788 0.65 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(=O)C=C2C[C@H]1O
MCULE-3632970812 0.65 O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
MCULE-2016404995 0.65 C(O)(CC1(C)C(CC=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12)([H])C(O)=O)=O
MCULE-1540404527 0.65 [C@]12(C)CCC3C(CC=C4CC(OCCC)CC[C@]34C)C1CCC2C(C)/C=C/C(CC)C(C)C
MCULE-9211922250 0.65 C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
MCULE-8068705613 0.65 C1=CC2CC(O)(C3(O)CC4C=CC5C=CC3C54)C3C=CC1C23
MCULE-6751502597 0.65 [H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C31C(C2)O3
MCULE-2393903138 0.65 [C@]12([H])C(=C)CCC(C(O)(C)C)=C[C@]1([H])[C@](O)(C)CC2
MCULE-1455068472 0.65 C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
MCULE-1941485534 0.65 C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2C(C)CO)C)=O
MCULE-1780641937 0.65 C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-6409888378 0.65 C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
MCULE-2855337345 0.65 C[C@@]12[C@](O)(C)CC[C@H]1[C@@H]1CCC3[C@@](C)([C@H]1CC2)C=CC(=O)C=3
MCULE-2653535248 0.65 C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MCULE-1067283755 0.65 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-3800481886 0.65 C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-2675118265 0.65 C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
MCULE-5773428311 0.65 C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-1812806265 0.65 [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-2299251979 0.65 C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
MCULE-2605863241 0.65 C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-9490867225 0.65 C12(C)C=CC(C=C1CCC1([H])C2([H])CCC2(C1([H])CCC2(C)O)C)=O
MCULE-4241274271 0.65 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-9209606443 0.65 C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-7172594390 0.65 C1C[C@@]2([H])[C@@](CC[C@H]([C@]2(C)CC/C(=C/C(=O)O)/CO)C)(C(CO)=C1)C
MCULE-4819154807 0.65 C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-1602610126 0.65 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-3614931522 0.65 CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
MCULE-5618612355 0.65 NC1(CC=CCC1)CC(CO)O
MCULE-4202348761 0.65 [H]C12CC(O)CCC1(C)C1CCC3(C)C(=C(CO)Br)CCC3C1CC2
MCULE-6441405293 0.65 OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-5474795148 0.65 NC1CC(CC2CC=CC2)(O)CCC1
MCULE-6413909495 0.65 CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
MCULE-1755461261 0.65 [C@]1(C)(CCC(=O)O)C2CC[C@]3([H])[C@@]([H])([C@@](O)(CC/C=C(\C)/C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C
MCULE-5968711412 0.65 C(=CC)C=CCCCCCCCO
MCULE-5933168234 0.65 C12(CC1)C1C3C(C4(C=C3)CC4)C2C2CC12
MCULE-2545758328 0.65 [C@H]1(O)[C@H](O)C[C@@H](CO)[C@]2(CC[C@@]([H])(C(=C)C)C2)[C@@H]1C
MCULE-9401006600 0.65 C1CC23CC42CCC2(C)C(C(CCC(O)C(=C)C)C)CCC2(C)C4CCC3C(C)(C)C1O
MCULE-1597597694 0.65 C/C(/C)=C/CCC1(CCC1)O
MCULE-9918110642 0.65 CCC(C1(CC=CC1)CO)C
MCULE-1847652658 0.65 C1C[C@@]2([H])[C@](C)(O)CC[C@@H](C(C)C)[C@]2(O)CC1=C
MCULE-6745205544 0.65 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@]5(CC[C@H](C(=C)C)[C@]5([H])CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])C(=C)[C@H]1O)C
MCULE-5128156707 0.65 CC1CC(CC/C=C(\C)/C)(O)C1
MCULE-9538281723 0.65 C/C(/C)=C/CCC1(CC(C)(C)C1)O
MolPort-023-298-994 0.65 CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-023-299-005 0.65 CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-044-755-261 0.65 C[C@H](CCC=C(C)C)[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
MolPort-046-761-514 0.65 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-027-853-716 0.65 CC(CCC(O)C(C)=C)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C
MolPort-039-339-168 0.65 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-039-141-892 0.65 C[C@@H]1[C@@H](O)[C@H](O)C[C@@H](CO)[C@]11CC[C@H](C1)C(C)=C
MolPort-002-511-094 0.65 C\C=C\C=C\CCCCCCCO
MolPort-000-165-424 0.65 C[C@]12C[C@H](O)CC(CO)(CO)C1CCC13CC(CCC21)C(=C)C3
MolPort-002-699-353 0.65 C1C2C1C1C3C(C=CC33CC3)C2C11CC1
MolPort-046-761-519 0.65 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-299 0.65 CC(=C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)C[C@@]12C
MolPort-028-599-900 0.65 C[C@H](CCC(O)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-039-338-372 0.65 CC1(C)[C@@H]2CCC(=C)[C@@H]3CC[C@](C)(O)[C@H]3[C@H]12
MolPort-039-338-398 0.65 C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-035-706-210 0.65 CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(=C)C[C@@]12O
MolPort-039-052-695 0.65 C\C(C=C)=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C
MolPort-046-589-760 0.65 CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
MolPort-046-153-098 0.65 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CCC1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
MolPort-046-693-081 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@H]2O
MolPort-027-640-893 0.65 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCCO
MolPort-002-524-878 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC(O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-001-740-467 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-002-508-334 0.65 C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-001-742-304 0.65 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-005-944-708 0.65 C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
MolPort-001-740-352 0.65 C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-741-118 0.65 C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-740-351 0.65 CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-742-412 0.65 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-002-506-874 0.64 CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-017-775 0.64 OC(=O)C1CC2C=CC1C21CC1
MolPort-003-940-126 0.64 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-958-619 0.64 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-001-760-000 0.64 OCCCCCCCCCC=C
MolPort-000-480-394 0.64 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
MolPort-002-116-770 0.64 CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-007-980-885 0.64 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-001-770-064 0.64 CCCCCCCCCCCCC\C=C\CCCCCCCC
MolPort-006-120-143 0.64 OCCCCCCC=C
MolPort-002-510-335 0.64 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
MolPort-005-934-304 0.64 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-002-511-796 0.64 COC(=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-740-887 0.64 C[C@@H]1CCC2C(C)(C)CCC[C@@]2(C)C1(O)CCC(CO)=CCO
MolPort-016-583-674 0.64 OC12CC3CC(C1)C(=CC#N)C(C3)C2
MolPort-002-509-435 0.64 CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-007-980-847 0.64 CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
MolPort-002-516-062 0.64 CC1(CS1)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-506-866 0.64 CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-941-834 0.64 CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
MolPort-003-929-774 0.64 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-525-755 0.64 CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-526-521 0.64 C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
MolPort-002-527-205 0.64 CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-792-059 0.64 CC(CCCC(C)(C)O)C=C
MolPort-003-929-253 0.64 C1CCCCC\C=C/CCCC1
MolPort-002-508-476 0.64 CC1CCC2(C)C(C)=CCCC2(C)C1OC=O
MolPort-002-507-709 0.64 C1CCCCC\C=C\CCCC1
MolPort-003-892-389 0.64 CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-841-842 0.64 CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
MolPort-002-507-121 0.64 CC(=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-002-526-574 0.64 CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-892-478 0.64 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
MolPort-000-006-321 0.64 CCCCCCCCCCCCC\C=C/CCCCCCCC
MolPort-001-769-701 0.64 OCCCCCCCCC=C
MolPort-006-069-321 0.64 CC(=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-001-787-073 0.64 C1CCC\C=C/CC1
MolPort-006-116-478 0.64 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-002-511-069 0.64 C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
MolPort-002-512-788 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
MolPort-035-943-082 0.64 OC(CCCC=C)CCCC=C
MolPort-027-835-875 0.64 C\C(CO)=C/CC[C@@]1(C)[C@H]2CC[C@H](C2)C1=C
MolPort-035-706-298 0.64 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-196-704 0.64 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-019-936-771 0.64 C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
MolPort-019-936-866 0.64 C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-023-330-852 0.64 C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O
MolPort-046-684-161 0.64 C\C(CO)=C/CC[C@@]1(C)C2CCC(C2)C1=C
MolPort-046-764-570 0.64 C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-046-762-448 0.64 C[C@H](CCCC(C)=C)[C@H]1CC[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-773-759 0.64 [2H]C([2H])([2H])C(CCCC(C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-691-457 0.64 CC\C=C\CC1C(CC(O)=O)CCC1=O
MolPort-046-683-738 0.64 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-765-405 0.64 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
MolPort-046-765-476 0.64 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
MolPort-019-994-032 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-596-273 0.64 CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-028-750-958 0.64 OCCCCCCCC=C
MolPort-046-765-329 0.64 C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
MolPort-020-180-049 0.64 CC(C)(C)C1CCC=CC1
MolPort-021-498-650 0.64 CC(O)CC(C)CCC=C
MolPort-042-681-652 0.64 C[C@@H](O)CCCCCCC=C
MolPort-046-153-151 0.64 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-021-072-420 0.64 CC(O)C(C)CCCC=C
MolPort-035-706-391 0.64 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
MolPort-046-418-690 0.64 CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)=C2C1
MolPort-000-207-694 0.64 COC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-044-559-994 0.64 C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-765-410 0.64 C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
MolPort-003-959-137 0.64 CC(=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C#N
MolPort-002-521-223 0.64 COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-333 0.64 CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@]3(C)[C@H]12)[C@H](C)C\C=C\C(C)(C)OC
MolPort-006-148-611 0.64 C\C(CO)=C/CCC1(C)C2CCC(C2)C1=C
MolPort-003-657-348 0.64 CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
MolPort-002-511-030 0.64 C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@]21CS1
MolPort-002-506-884 0.64 COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-876 0.64 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-008-155-609 0.64 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
MCULE-2445591436 0.64 C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
MolPort-000-823-748 0.64 COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MCULE-7380883171 0.64 C/C(/C)=C/CCC1C2CC(CC2)C1
MolPort-039-338-120 0.64 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
MCULE-9065856299 0.64 OC1(C2C=CC(C2)C1)CC#C
MolPort-039-338-308 0.64 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MCULE-4586192863 0.64 O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
MolPort-039-339-228 0.64 C[C@@H](CC[C@@H](O)C(C)=C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O
MCULE-1489496276 0.64 C[C@@]12CC[C@@]3([H])[C@]([C@@H](O)CC[C@]3(C)[C@@]1([H])C=CC1=C3CC(C)(C)CC[C@]3(CO)[C@@H](O)C[C@@]21C)(C)CO
MolPort-044-755-245 0.64 CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)C(C)C)[C@@H]3CC=C2C1
MCULE-8332309727 0.64 C1(C)(C)CC(C)(C)CC=C1
MCULE-4690967590 0.64 C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
MCULE-8207675419 0.64 C(=CCCCCCCC)CCCCCCCC
MCULE-3556525470 0.64 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
MCULE-7809911769 0.64 C1CCCCCCCCCCC=1
MCULE-3282836543 0.64 C1(/CCCCC/1)=C1\CCCCC\1
MCULE-2506206785 0.64 [C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-8807729080 0.64 [C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
MCULE-4176831119 0.64 C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C
MCULE-1585960766 0.64 C(=CCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
MCULE-7766001972 0.64 C12C(O)([H])C(Br)=CC(C1)CC2
MCULE-6482685801 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-4823405948 0.64 [C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
MCULE-7010605333 0.64 C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)C)CC3)C[C@@H]2C
MCULE-5031139336 0.64 C12(C3C=CC1C(C3)C(O)=O)CC2
MCULE-3725404239 0.64 CC=C1C(C)(C)C2CC1CC2
MCULE-2011201542 0.64 [C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
MCULE-6643575770 0.64 C(CCCCCCCCCCCCCCCC)=CCCCCCCCCCCCCCCCCC
MCULE-6793463685 0.64 O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
MCULE-1600415638 0.64 OC1(C2C=CC(C2)C1)CCC(F)(F)F
MCULE-1793283479 0.64 C1CCCCCCCCC=1
MCULE-5222419035 0.64 C(CCCC(CCCC=C)O)=C
MCULE-5218215077 0.64 COCC1(C2C=CC(C2)C1)O
MCULE-8392723345 0.64 C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
MCULE-5701652206 0.64 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-9704495201 0.64 C1CCCCCCC=1
MCULE-1230321976 0.64 C1CCCCCC=CC1
MCULE-7472546811 0.64 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
MCULE-7705781017 0.64 C1C=CCC(C(C)(C)C)C1
MCULE-8925145429 0.64 O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
MCULE-9656399480 0.64 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
MCULE-2665091779 0.64 C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-6627883036 0.64 CC(CCC1(CC=CCC1)N)O
MCULE-4184081183 0.64 C12C3C(O)(C)CC(C13)C=CC=C2
MCULE-3305395898 0.64 C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
MCULE-6987071156 0.64 CC(CCC1(CC=CCC1)N)(O)C
MCULE-7369936803 0.64 [C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
MCULE-6230328267 0.64 C1(=CC#N)C2CC3CC1CC(C3)(O)C2
MCULE-9085462824 0.64 OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-8323082599 0.64 NCC1(C(O)CCC1)CC1CC=CC1
MCULE-6039711052 0.64 C1CC(C)(C)C2[C@](C)(C(O)([C@H](C)CC2)CCC(=CCO)CO)C1
MCULE-4596209637 0.64 CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-6884173238 0.64 CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-8523882788 0.64 C/C(/C)=C/C(C1CCC(CN)CC1)O
MCULE-7655631851 0.64 NOCC1CC=CCC1
MCULE-5362337107 0.64 C12(C)C(C(C)CCC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2=CC1O)O
MCULE-2479536906 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(OC)=O)[H]
MCULE-5965392040 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@H](OC)C=C2C[C@H]1O
MCULE-6950544067 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCC(OC)=O)[H]
MCULE-4207978869 0.64 CC(/C=C1\CCC2(CC2)CC\1)O
MCULE-7720595428 0.64 C1[C@@]2(O)C=C[C@]3([C@]4([H])[C@@]5(C[C@]5([H])C(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC[C@@H]1O)[H])[H]
MCULE-9968073626 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@@H](OC)C=C2C[C@H]1O
MCULE-3935057728 0.64 [C@]12(CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)O)CS2
MCULE-2386800783 0.64 O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O
MCULE-8494008475 0.64 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-5776627737 0.64 CC(C=C1C2(CCCCC2)CC1)O
MCULE-1395550205 0.64 CC(C=C1C(C2CC2)CCCC1)O
MCULE-3854807048 0.64 OC/C(=C/CC[C@@]1(C(=C)[C@@]2([H])C[C@@]1(CC2)[H])C)/C
MCULE-7262687357 0.64 CC(C=C1C2(CCCC2)CC1)O
MCULE-5311637201 0.64 CC(C=C1CCC(C2CCC2)CC1)O
MCULE-3543018898 0.64 CC1([C@@H]2CC=C3[C@]4(C)[C@@]([C@H]([C@H](CC[C@H](C(=C)C)O)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C)C
MCULE-4849477341 0.64 [C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
MCULE-7240141445 0.64 [C@@]12([H])CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-2143386080 0.64 C(O)C(C)=CCC[C@]1(C)C(=C)[C@@]2([H])C[C@]1([H])CC2
MCULE-1397397840 0.64 O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
MCULE-7904402358 0.64 C1(C)(CCC=C(C)CO)C(=C)C2CCC1C2
MCULE-8839185629 0.64 N#C[C@H]1[C@H](C(=O)C)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)O)=CC3)[H])([H])C1
MCULE-5497991508 0.64 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C1(C)CS1
MCULE-3392411245 0.64 [C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-2247897001 0.64 COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
MCULE-8805854090 0.64 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MCULE-6992969365 0.63 NC1(C2C(O)CCC2)CC=CC1
MCULE-8297574712 0.63 C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
MCULE-6821384626 0.63 O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
MCULE-2458381576 0.63 C1C2C(=O)C(CC(C(=O)O)C2)C=C1
MCULE-2752374478 0.63 [C@@H]1(O)CC(=CC=C2CCC[C@@]3(C)[C@@]2([H])CC[C@@H]3[C@@H](C=C[C@H](C)C(C)C)C)C(=C)[C@@H](O)C1
MCULE-3575018567 0.63 [C@]12(C)CCC/C(=C\C=C3/C[C@@H](O)C[C@H](O)C/3=C)/[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C
MCULE-9952556036 0.63 [C@]12(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@@H](O)C\3=C)/[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C
MCULE-6520929159 0.63 C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-5578038643 0.63 O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O
MCULE-8173878510 0.63 C12(C)C(O)C(=CCC(O)=O)C(CC1)C2(C)C
MCULE-6713995732 0.63 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-2721005128 0.63 C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
MCULE-2006999898 0.63 C1=CC2C(O)C1C1C(O)C=CC12
MCULE-7156706397 0.63 C=C1/C(=C\C=C2/CCC[C@@]3([C@H](CC[C@@]/23[H])[C@@H](/C=C/[C@@H](C(C)C)C)C)C)/C[C@@H](O)C[C@@H]1O
MCULE-9700928997 0.63 C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
MCULE-3885425015 0.63 [C@H]1(C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](CC[C@@]4(C)[C@]3(C)C[C@H]([C@@]2([H])[C@](CO)([C@H]1O)C)O)(C(=O)O)CC[C@@H](C)[C@@H]5C)[H])C)O
MCULE-6829909415 0.63 C(C(=O)O)C[C@]1(C)C2CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C=2CC[C@@]1([H])C(=C)C
MCULE-9600703174 0.63 C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H]
MCULE-2496014695 0.63 C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
MCULE-1874567277 0.63 [C@@]12(C)[C@@H](C(CO)=O)CC[C@@]1([H])[C@]1([C@]([H])([C@@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-6011582984 0.63 [H][C@@]1([C@@H](C=C[C@H](C(C)C)C)C)[C@]2(CCCC(=CC=C3C(=C)[C@@H](O)C[C@H](O)C3)[C@]2([H])CC1)C
MCULE-1627239407 0.63 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-4522488137 0.63 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-8041079323 0.63 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
MCULE-8869963478 0.63 C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
MCULE-2196052177 0.63 [K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-8656073078 0.63 O[C@H]1C/C(=C/C=C2\CCC[C@]3(C)[C@@]\2(CC[C@H]3[C@@H](C)/C=C/[C@H](C(C)C)C)[H])/C(=C)[C@H](O)C1
MCULE-9939383284 0.63 C1[C@H](O)CC(=CC=C2[C@]3([H])CC[C@]([H])([C@H](C)C=C[C@@H](C)C(C)C)[C@@]3(C)CCC2)C(=C)[C@H]1O
MolPort-006-111-539 0.63 CC1(C)CC[C@@]2([C@H](O)C[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]2C1)C(O)=O
MolPort-009-018-301 0.63 CCCCCC(=O)CC[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
MolPort-005-945-648 0.63 CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-003-959-213 0.63 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-004-964-448 0.63 CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-006-112-162 0.63 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-006-129-942 0.63 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-003-941-070 0.63 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-005-909-866 0.63 CC(O)(CC[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-009-765-555 0.63 C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-002-525-311 0.63 CC1(C)[C@H]2C[C@@H]1C(=C)[C@H](O)C2
MolPort-003-715-331 0.63 C[C@@](O)(CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-006-122-642 0.63 CCC(C)(O)CCC=C(C)C
MolPort-000-846-064 0.63 CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C
MolPort-002-527-229 0.63 C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-003-925-989 0.63 CC1=CC[C@@H]2[C@H](C1)C2(C)C
MolPort-002-528-182 0.63 C[C@](O)(CCC1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-046-762-688 0.63 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
MolPort-035-683-228 0.63 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-046-418-510 0.63 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C
MolPort-023-221-456 0.63 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
MolPort-046-773-765 0.63 [2H]C([2H])([2H])C([C@@H](C)\C=C\[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C([2H])([2H])[2H]
MolPort-044-723-310 0.63 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-046-689-150 0.63 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-046-765-905 0.63 OC(=O)CCCCCCC\C=C/CC=O
MolPort-046-196-836 0.63 C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-035-683-013 0.63 OC(=O)C1C2CC\C=C/CC\C=C/CCC12
MolPort-044-727-745 0.63 CCCCCC[C@@H](O)C\C=C\CCCCCCCC(O)=O
MolPort-035-706-341 0.63 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MolPort-035-706-106 0.63 OCCC1=C(CO)[C@@H](CO)CC1
MolPort-033-355-978 0.63 CC1(C)[C@@H]2C[C@H]1C(=C)[C@@H](O)C2
MolPort-035-385-967 0.63 CC1C[C@@H]2[C@H](C=C1)C2(C)C
MolPort-035-706-191 0.63 CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
MolPort-044-193-687 0.63 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O
MolPort-027-640-987 0.63 CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-028-606-852 0.63 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
MolPort-002-134-879 0.63 OC(=O)C1C2CC\C=C\CC\C=C/CCC12
MolPort-002-506-886 0.63 CC(O)(CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-028-744-491 0.63 C[C@@H]1CC[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]5[C@H](O)C[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-044-755-193 0.63 CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-422 0.63 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-044-755-202 0.63 C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-790-504 0.63 CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-046-417-043 0.63 [2H]C([2H])=C1[C@@H](O)C[C@H](O)C\C1=C(/[2H])\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)\C=C\[C@H](C)C(C)C
MolPort-046-153-162 0.63 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-046-689-989 0.63 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-508-998 0.63 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(O)=O)[C@@H](CC3)C(C)=C)C(O)=O
MolPort-039-338-146 0.63 C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-035-706-316 0.63 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C)OC(C)=O
MolPort-020-005-924 0.63 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)C2[C@H]1C)C(O)=O
MolPort-044-637-519 0.63 CC1=C2CC\C(C)=C\CCC(=C)CCC(CC1)C2(C)C
MolPort-046-761-814 0.63 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
MolPort-046-153-751 0.63 CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-001-781-437 0.63 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
MolPort-005-943-420 0.63 CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-507-350 0.63 CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-003-892-472 0.63 CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-002-135-152 0.63 OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
MolPort-006-666-438 0.63 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C
MolPort-002-910-713 0.63 OC(=O)C1C2CCC(C=C2)C1C(O)=O
MolPort-016-584-038 0.63 CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
MolPort-001-816-138 0.63 OC(=O)C1CC2CC=CC(C1)C2=O
MolPort-003-939-239 0.63 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O
MolPort-001-741-330 0.63 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-018-493-676 0.63 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
MolPort-003-848-083 0.63 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-006-168-732 0.63 CCCCCCC(O)C\C=C\CCCCCCCC(O)=O
MolPort-027-640-923 0.63 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O
MolPort-003-983-803 0.63 [K+].CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC([O-])=O)[C@H]12
MolPort-016-633-217 0.63 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C
MolPort-002-512-114 0.63 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MCULE-8879177648 0.63 OC(C1(CC=CCC1)CC1CC=CC1)=O
MolPort-039-338-358 0.63 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
MCULE-8509022096 0.63 [C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
MolPort-046-158-502 0.63 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
MCULE-2374686913 0.63 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MolPort-046-763-158 0.63 CCCCC[C@H](O)\C=C\[C@H]1CC2CC(C2)[C@@H]1C\C=C/CCCC(O)=O
MCULE-1785744667 0.63 C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
MolPort-046-594-086 0.63 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MCULE-2331913954 0.63 NC1C(C(C2CCCCC=2)O)CCC1
MolPort-035-706-198 0.63 CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MCULE-4023009546 0.63 C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
MolPort-019-937-248 0.63 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@@]34C)C(O)=O)C2C1)C(O)=O
MCULE-6199732071 0.63 C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MolPort-039-052-610 0.63 C[C@H](O)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
MCULE-8754621318 0.63 OC1(C=CCCC1)CCC1C(F)(F)C1
MolPort-028-754-125 0.63 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
MCULE-4949013565 0.63 C(C1(C2=CCCCC2)CCCCC1)(O)=O
MolPort-039-138-851 0.63 CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(O)=O
MCULE-8864677718 0.63 C12(C(C1)CCC=C2C)C
MolPort-027-640-908 0.63 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCO
MCULE-8579585536 0.63 C12(C)C=CC1(C)CCC2
MolPort-039-338-188 0.63 C[C@@H](O)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
MCULE-8444624529 0.63 C12C=CC1(C)CCC2C
MolPort-039-139-158 0.63 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
MCULE-7043672096 0.63 CCCCCC(O)CC1CC1=C
MolPort-021-783-103 0.63 CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MCULE-1265880444 0.63 C12CC31CCCCCCCCCCCCC(=CC3)C2
MolPort-039-138-852 0.63 CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(O)=O
MCULE-9087397344 0.63 C1(C(C)(C)C)C2([H])CCCC2([H])C=1
MCULE-9104151244 0.63 CC(C1(C2(CCCCC2)CC1)O)=C
MCULE-1170963979 0.63 CCC(CC/C=C(\C)/C)(O)C
MCULE-1732269970 0.63 C1(=C)C(CO)CC2CC1C2(C)C
MCULE-1171485409 0.63 CC1([C@@H]2CC[C@]([C@H](CC[C@](C=C)(O)C)[C@@]2(C)CCC1)(O)C)C
MCULE-2255820378 0.63 OC(C1CCC2(CC2)CC1)CC=C
MCULE-7201475262 0.63 C12C(C1CC=CC2)(C)[H]
MCULE-3410638328 0.63 OC1(C=C)C(C2CC2)CCCC1
MCULE-3157102298 0.63 OC1(C(C2CC2)CCCC1)CC=C
MCULE-4495844697 0.63 CC(C1(C(C2CC2)CCCC1)O)=C
MCULE-1154416056 0.63 OC1(C2(CCCC2)CC1)CC=C
MCULE-7880343136 0.63 C1CC(C2CCCC=C2)C=CC1
MCULE-4870239930 0.63 C1CC2C(=C3C4CCCCC34)C2CC1
MCULE-1464171624 0.63 OC1(C=C)C2(CCCC2)CC1
MCULE-7038834056 0.63 C1CC2CC2CC=1
MCULE-9063642375 0.63 [C@]12(C)CCCC(C)(C)[C@]1([H])CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)C=C
MCULE-4227190152 0.63 C1(C(C)C)C2([H])CCCC2([H])C=1
MCULE-3903764638 0.63 C(C(CCC(O)C(=C)C)O)(C)=C
MCULE-8301181052 0.63 CC(C1(CCC2(CC2)CC1)O)=C
MCULE-4790521220 0.63 C1CC2C(C)(C)C2CC=1
MCULE-1936843086 0.63 OC1(C=C)CCC2(CC2)CC1
MCULE-4774982120 0.63 C12(C)CCCC(C)(C)C1CCC(C)(O)C2CCC(C)(O)C=C
MCULE-4046890531 0.63 OC1(C2(CCCC2)CC1)CCC=C
MCULE-3324498456 0.63 OC1(CCC2(CC2)CC1)CC=C
MCULE-8428573714 0.63 OC1(CCC2(CC2)CC1)CCC=C
MCULE-3170768327 0.63 C1CC2(C)CC2(C)CC=1
MCULE-7116988819 0.63 CC(C1(C2(CCCC2)CC1)O)=C
MCULE-4061101233 0.63 C1CC(C)=C2CCC(C)=CCCC(=C)CCC1C2(C)C
MCULE-8661901899 0.63 [C@H]12C[C@H](C1(C)C)C[C@@H](O)C2=C
MCULE-2811504753 0.63 C1C2C(C)(C)C2CC=C1C
MCULE-4545573353 0.63 OC1(C2(CCCCC2)CC1)CCC=C
MCULE-3387090376 0.63 OC1(C=C)C2(CCCCC2)CC1
MCULE-5061929584 0.63 CC(C(C1CCC2(CC2)CC1)O)=C
MCULE-1535767582 0.63 OC1(C2(CCCCC2)CC1)CC=C
MCULE-8631625295 0.63 OC(C1CCC2(CC2)CC1)C=C
MCULE-3679159442 0.63 C[C@@]1([C@H](C2(CC=CC2)N)CCCC1)O
MCULE-9036760572 0.63 [C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
MCULE-1496103738 0.63 C1(CCO)CC[C@H](CO)C=1CO
MCULE-9367694525 0.63 NC1(CC=CC1)CC1(CCCCC1)O
MCULE-9156595873 0.63 C(CCCCC)C(O)CC=CCCCCCCCC(=O)O
MCULE-8870631989 0.63 COC1C(C2(CC=CC2)CO)CCC1
MCULE-8874347902 0.63 CC1(C(C2(CC=CC2)N)(C)CCC1)O
MCULE-8991093142 0.63 OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
MCULE-1363314281 0.63 CC1(C(C2(CC=CC2)N)CCC1)O
MCULE-4813795465 0.63 NC1(C2C(O)CCCC2)CC=CC1
MCULE-1798036739 0.63 CC1(C(C2(CC=CC2)N)CCCC1)O
MCULE-3541967763 0.63 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MolPort-038-386-620 0.62 OCC(O)CC(O)C\C=C\CCCCCCCCC#C
MolPort-046-682-617 0.62 CC1CCC(CC1)\C=C(/C)CO
MolPort-035-706-441 0.62 C[C@@H]1CC[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]2[C@H]1C)C(O)=O
MolPort-039-101-232 0.62 CCC\C=C\C=C\C1CC(O)C(O)C(O)C1
MolPort-035-706-443 0.62 C[C@@H]1CC[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]2[C@H]1C)C(O)=O
MolPort-002-530-019 0.62 C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
MolPort-009-649-413 0.62 C[C@@H]1CC[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]2[C@H]1C)C(O)=O
MolPort-005-938-499 0.62 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O
MolPort-016-638-416 0.62 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@H]1C
MolPort-002-507-603 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-005-944-681 0.62 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-002-911-107 0.62 CC12CCC3C(CCC4=CCCCC34)C1CCC2=O
MolPort-005-932-642 0.62 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-509-792 0.62 C[C@]12CCC3[C@@H](CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MolPort-003-940-987 0.62 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-003-941-054 0.62 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-001-742-271 0.62 C\C(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C\CO
MolPort-003-941-261 0.62 CCCCC\C=C\C\C=C\CCCCCCCCCC(O)=O
MolPort-003-933-184 0.62 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
MolPort-003-937-817 0.62 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-002-501-970 0.62 CO\C1=C\CCCCCC1
MolPort-009-018-831 0.62 OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-001-740-230 0.62 CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-009-018-939 0.62 [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-001-788-459 0.62 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-006-113-817 0.62 CCC=CCC=CCC=CCCCCCCCC(O)=O
MolPort-005-944-556 0.62 CCC\C=C\C=C\C1CCC(O)C(O)C1CO
MolPort-003-936-393 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-001-742-062 0.62 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MCULE-6682756085 0.62 [C@H]1(O)CCC(=C)C(=CC=C2CCC[C@@]3(C)[C@@]2([H])CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C1
MolPort-027-835-926 0.62 O[C@@H]1CC[C@@H](O)C=C1
MCULE-8462580867 0.62 C1C(=CC=C2CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]23[H])C(=C)CC[C@@H]1O
MolPort-001-741-005 0.62 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
MCULE-5237148453 0.62 C1=CC2C3C=CC3C1C(C)C2C
MolPort-003-927-271 0.62 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MCULE-5268410025 0.62 CC(CCC[C@H]([C@H]1CC[C@]2(C(=CC=C3C(=C)CC[C@@H](O)C3)CCC[C@]12C)[H])C)(O)C
MolPort-001-740-051 0.62 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MCULE-5113210141 0.62 C1C2CC(C(C)(C)C2=CCO)C1
MolPort-003-984-926 0.62 C[C@H](CCCC(C)(C)O)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MCULE-9625022025 0.62 CC1CCC(C(=O)O)(C)CC=1
MolPort-006-127-345 0.62 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
MCULE-1939531919 0.62 CC1CC(C(O)=O)(C2C=CCCC2)C1
MolPort-001-785-972 0.62 CC(C)CCCC(C)C1CCC2\C(CCCC12C)=C\C=C1\CC(O)CCC1=C
MCULE-2976841469 0.62 C12(C)CCCC(=CC=C3CC(O)CCC3=C)C1CCC2C(C)CCCC(C)C
MolPort-005-933-654 0.62 O.C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MCULE-6601751883 0.62 C1(C)CC(CCC=1C)C(O)=O
MolPort-002-678-933 0.62 CC1=C(C)CC(CC1)C(O)=O
MCULE-9355268312 0.62 C12C=C(CC1C1CC2C(=C1)C)C
MolPort-003-926-236 0.62 CC1=CC2C(C1)C1CC2C(C)=C1
MCULE-2610911871 0.62 C12(C)CCCC(=CC=C3CC(CCC3=C)O)C1([H])CCC2C(C)CCCC(O)(C)C
MolPort-009-649-408 0.62 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
MCULE-3118799355 0.62 [C@]12(C)CCCC(=CC=C3C[C@@H](O)CCC3=C)[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C
MolPort-006-135-500 0.62 CCC(=C)CCC(C)(O)CC
MCULE-5084078336 0.62 O[C@H]1CCC(=C)/C(=C\C=C2/CCC[C@@]3(C)[C@]/2(CC[C@@H]3[C@H](C)CC[C@@H](C(C)C)C)[H])/C1
MolPort-001-781-856 0.62 C1CC2CC1C=C2
MCULE-3212175174 0.62 C1(C)(CCC(=C(C)C1)C)C(O)=O
MolPort-006-113-308 0.62 CC1=CCCCCC1
MCULE-7424334706 0.62 C1=CC2C3C(C)=C(C)C3C1CC2
MolPort-003-926-424 0.62 C1CCC=CCC1
MCULE-6193286520 0.62 CC1C=CC2C1C1C=CC2C1
MolPort-001-782-881 0.62 CCCCCC(O)C=C
MCULE-9069962871 0.62 C12C=CCC1C1CC2C=C1
MolPort-006-122-641 0.62 CC(C)CCCC(C)(O)C=C
MCULE-7386067994 0.62 OCC1(C2CC2)CC=CC1
MolPort-000-740-930 0.62 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
MCULE-5623444215 0.62 C1(C2C=CC(C34C=CC23CC=CC4)C1C)C
MolPort-001-792-282 0.62 CCCCCC(O)CC=C
MCULE-7708235386 0.62 OC(C1(CC=CC1)CC1CC=CCC1)=O
MolPort-001-792-183 0.62 OCC(O)CCCCC=C
MCULE-3412849794 0.62 [C@]12(C)CCC/C(=C\C=C3\C[C@H](CCC\3=C)O)/[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)(C)O
MolPort-002-509-736 0.62 CC(C)CCCC(C)CCCC(C)(O)C=C
MCULE-2930016596 0.62 C1(C)(CCC=C(C)CO)CC(C)(C)CCC1
MolPort-001-741-429 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
MCULE-5512410580 0.62 C1/C(/C(CC[C@H]1O)=C)=C/C=C1\CCC[C@]2([C@@]\1([H])CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C
MolPort-002-516-984 0.62 C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
MCULE-6154129120 0.62 C12C3C4C1CCC2C3C=C4
MolPort-001-780-227 0.62 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O
MCULE-1409151818 0.62 C1(=C)/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@@H](CCCC(O)(C)C)C)CC[C@@]\23[H])/C[C@@H](O)CC1
MolPort-039-338-234 0.62 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
MCULE-8191078121 0.62 C1C(=CC=C2CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])[C@H](C)CCCC(O)(C)C)C(=C)CC[C@@H]1O
MolPort-022-366-437 0.62 OC(=O)CC1CCCC=C1
MCULE-9038300213 0.62 CCCCCCC=CC(O)C
MolPort-046-683-522 0.62 CCCCC\C=C\C\C=C\C\C=C\C\C=C/CCCCCC(O)=O
MCULE-4504110383 0.62 C1C[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]2([H])/C(=C/C=C2/C[C@@H](O)CCC/2=C)/C1
MolPort-027-641-365 0.62 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCCCCC(O)=O
MCULE-8120653180 0.62 C1(CC)(CC)C2C(C3CC2C=C3)C=C1
MolPort-044-727-764 0.62 CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
MCULE-9432867931 0.62 NC1C(C(CC2CCCC=2)O)CCC1
MolPort-035-882-164 0.62 CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MCULE-7128644688 0.62 C1/C(/C(CC[C@H]1O)=C)=C/C=C1\CCC[C@]2([C@@]\1([H])CC[C@@H]2[C@@H](CCCC(C)C)C)C
MolPort-027-641-391 0.62 [2H]\C(CCCCCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
MCULE-2787902394 0.62 C=CC1C2C=CC(C2)C1
MolPort-046-791-744 0.62 Cl.CC(O)(CN)C1CCC=CC1
MCULE-4665716653 0.62 N(CC)(CC)CC.C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
MolPort-044-724-154 0.62 CCCCCC=CCC=CCCCCCCCC(O)=O
MCULE-1548167049 0.62 C(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
MolPort-044-637-440 0.62 CC(C)[C@@H]1CC[C@@]2(CO)[C@@H]3[C@@H](O)[C@@H](O)[C@@H]([C@H]13)C2=C
MCULE-7030538659 0.62 C12(C(=O)O)C3C4C5C1C=CC5C2(C(=O)O)C4C=C3
MolPort-020-007-892 0.62 C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
MCULE-2424380947 0.62 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2([H])[C@H](C)CCCC(C)C
MolPort-046-596-343 0.62 C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MCULE-2255462467 0.62 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
MolPort-038-947-722 0.62 OC1CCC(O)C=C1
MCULE-7552770733 0.62 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
MolPort-046-762-299 0.62 C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@H]1CCC2=O
MCULE-6242790082 0.62 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
MCULE-3342549876 0.62 NC1(CCC(O)CC1)CC1CC=CC1
MCULE-9026302675 0.62 C/C(/C)=C/CC1(CCC(O)CC1)N
MCULE-1248316974 0.62 C/C(/C)=C/CCC1(CCC(=O)CC1)O
MCULE-1734725499 0.62 C/C(/C)=C/C(C1CCC(N)CC1)O
MCULE-1560004633 0.62 NC1CC(CC2CC=CC2)(O)CC1
MCULE-3586794502 0.62 NC1(CC=CC1)CC1CCC(O)CC1
MCULE-5334487879 0.62 C/C(/C)=C/C(CC1CC(N)CC1)O
MCULE-7008193569 0.62 C/C(/C)=C/CCC1(CCC(N)CC1)O
MCULE-8838919541 0.62 OC1(C(CC2CC=CC2)=O)CCCC1
MCULE-5054812995 0.62 COC1CC(CC2CC=CC2)(O)C1
MCULE-6262778979 0.62 OC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-9515560254 0.62 C/C(/C)=C/CCC1(CCC(O)CC1)N
MCULE-7916341231 0.62 [C@]12(C)CCCC(=O)[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O
MCULE-8561818472 0.62 C(=C)C(C)(CCCC(C)CCCC(C)CCCC(C)C)O
MCULE-8350979001 0.62 C1C2(CC2)CC=CC1
MCULE-7830059101 0.62 C1CCC(O)C(=C)CCC1
MCULE-8052625701 0.62 C1CC2CC2CCC=C1
MCULE-4949418143 0.62 C(C1C2CC(CC2)C1)C1CC=CC1
MCULE-7332708916 0.62 C=C(CCCCCC(CO)=C)CO
MCULE-5201834756 0.62 C1C2C=CC(C2)C1
MCULE-6336857737 0.62 C(CO)(CCCCCCCCCC=C)CO
MCULE-8025095993 0.62 C1CC(C=C)(O)CCCCC1
MCULE-5580405947 0.62 C1CCCCCC(C=C)(O)CCCCC1
MCULE-8885290229 0.62 C(C1CC=CC1)CC1C2CC(CC2)C1
MCULE-7479649773 0.62 C=C(CCCCCC(CO)=C)C
MCULE-4108462587 0.62 C(=C)C(C)(CCCC(C)CCCC(C)C)O
MCULE-4514853156 0.62 C1CCC=CCC1
MCULE-4449136900 0.62 OC(C1CNC1)CC1CC=CCC1
MCULE-8996387733 0.62 NC1(C(C2CCCCC=2)O)CCCC1
MCULE-1218384038 0.62 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
MCULE-8677770591 0.62 C1(C)C2(C)C(OC)(OC)C(C)(C3CCC4C(C5(C)C(C)=C(C)C4(C)C5(OC)OC)CCC23)C=1C
MCULE-2700455616 0.62 C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
MCULE-5686534690 0.62 C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
MCULE-9693195749 0.62 [C@@H]1(O)C[C@@]2(C3CC=C4C5CC(C)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@@H]1O)(C)CO)C
MCULE-6147550234 0.62 [C@@H]1(C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@]([C@H]1O)(C)CO)(C(O)=O)CCC(C)(C)C5)C)O
MCULE-9707443606 0.62 C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
MCULE-6464655857 0.62 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
MCULE-1389326170 0.62 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
MCULE-8828485995 0.62 C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(=C)C)CC[C@]21C)O)(C)C
MCULE-3750924928 0.62 C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
MCULE-5436553655 0.62 [C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](C(O)=O)(CCC(C)(C)C5)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O)[H])C
MCULE-5774214368 0.62 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-2781396929 0.62 CC1(C(CC2CC=CCC2)O)CNC1
MCULE-7925068743 0.62 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
MCULE-7184031760 0.62 C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(O)(C)C)CC[C@]21C)O)(C)C
MCULE-5757363366 0.62 C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
MCULE-8721851502 0.62 [C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
MCULE-4431659207 0.62 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
MCULE-1974040943 0.62 C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-9756913466 0.62 C12CCC3=CCCCC3C1CCC1(C)C(CCC21)=O
MCULE-2584040890 0.62 C1C(CO)C(CO)/C/1=C(/C)\C
MCULE-8109491654 0.62 [C@]12(C)CC[C@H]3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@@H]1CCC2=O
MCULE-5966520622 0.62 C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
MCULE-3227878705 0.62 [H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)=O
MCULE-8573249352 0.62 [H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)C(C)=O
MCULE-5790792765 0.62 O=C1C(CC2C3C=CC(CC3)C2)CCC1
MCULE-3814030883 0.62 [C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)C1CCC2=O
MCULE-4409286429 0.62 O=C1CCC2(C)C1(CCC1(C)C3(C)CCC4(C)CCC(C)(C)CC4(C3=CCC21)[H])[H]
MCULE-6486798788 0.62 C1(=C)[C@@]2([H])[C@H](O)[C@@H]([C@@]3([C@@]2([H])[C@@H](CC[C@]13CO)C(C)C)[H])O
MCULE-6337171250 0.62 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-1893075589 0.62 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-6594867113 0.62 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-8042162865 0.62 C(CCCCCCCC=CCC=CCC=CCC)(O)=O
MCULE-6424725551 0.62 C1C[C@@](C2CC[C@](C)([C@@H]([C@@]2(C)C1)CC/C(/C)=C\CO)O)(C(O)=O)C
MCULE-4140921077 0.62 C1CCC=C(OC)CCC1
MCULE-4209942909 0.62 C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
MCULE-5893056666 0.62 CCC/C=C/C=C/C1CC(O)C(O)C(O)C1
MCULE-1825456795 0.62 C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
MCULE-9082869288 0.62 CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
MCULE-4594283986 0.62 CCC/C=C/C=C/C1CCC(O)C(O)C1CO
MCULE-7773937899 0.62 C12C=CCC(C1(CO)[H])C=C2
MCULE-9405390567 0.62 C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
MCULE-4653646367 0.62 C(CCCCCCCC=CCC=CCCCCC)(O)=O
MCULE-9671518710 0.62 C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
MolPort-046-790-505 0.62 C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-039-052-491 0.62 CC1(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-046-761-837 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-046-761-019 0.62 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
MolPort-028-754-124 0.62 CC1(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-046-014-136 0.62 O[C@@H]1CCC[C@H]1C=C
MolPort-046-672-339 0.62 OC1CCCCC1=C
MolPort-046-596-377 0.62 CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-039-052-434 0.62 CC1(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-046-697-152 0.62 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-020-005-948 0.62 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-039-061-801 0.62 C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)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-039-338-638 0.62 C[C@H](C[C@H](O)[C@@H](O)C(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-027-640-933 0.62 CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-932 0.62 CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-020-006-013 0.62 CC1(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-028-745-366 0.62 CC(C)=CCCC1=CCC(CC1)C(O)=O
MolPort-044-637-462 0.62 CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-039-101-205 0.62 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O
MolPort-046-688-079 0.62 CC(C1CC=C(C)C(=O)C1)C(O)=O
MolPort-035-706-203 0.62 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
MolPort-035-706-109 0.62 CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
MolPort-046-153-150 0.62 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
MolPort-025-405-542 0.62 CC1CCC(CC1)C=C(C)CO
MolPort-046-153-168 0.62 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-046-418-096 0.62 [2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-035-706-442 0.62 C[C@@H]1CC[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]2[C@H]1C)C(O)=O
MolPort-046-773-762 0.62 [2H]C([2H])=C1CC[C@H](O)C\C1=C(/[2H])\C=C1/CCC[C@]2(C)C(CCC12)[C@H](C)CCCC(C)C
MolPort-046-773-763 0.62 [2H]C([2H])([2H])C(CCC[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-046-773-760 0.62 [2H]C([2H])([2H])C(O)(CCC[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-046-792-758 0.62 C1C=C[C@H]2[C@@H]3C[C@H](C=C3)[C@@H]12
MolPort-046-761-448 0.62 [2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C/C=C1\C[C@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-046-691-200 0.62 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)CCC1=C
MolPort-046-702-228 0.62 O.CC(CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1/CC(O)CCC1=C
MolPort-019-923-047 0.62 C1C=CC2[C@@H]3C[C@@H](C=C3)C12
MolPort-046-682-801 0.62 CC(CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1/CC(O)CCC1=C
MolPort-046-589-969 0.62 CC(C)[C@H](C)CCC(C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-046-196-107 0.62 CC1C=CC2C3CC(C=C3)C12
MolPort-044-728-827 0.62 [3H]C([3H])([3H])C(O)(CCC[C@@H](C)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([3H])([3H])[3H]
MolPort-022-366-438 0.62 CC1=CCC(CC1)C(O)=O
MolPort-022-368-244 0.62 CC1=CCC(C)(CC1)C(O)=O
MolPort-044-724-241 0.62 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(CCC[C@]12C)=CC=C1C[C@H](O)CCC1=C
MolPort-044-724-114 0.62 CC1(C)C=CC2C3CC(C=C3)C12
MolPort-044-615-514 0.62 CC1=C(C)CC(C)(CC1)C(O)=O
MolPort-039-139-841 0.62 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
MolPort-027-835-163 0.62 CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-001-766-377 0.61 CC=C1C2CC3CC(C2)CC1C3
MolPort-000-733-209 0.61 CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-008-154-491 0.61 C\C=C\C12CC3CC(CC(C3)C1)C2
MolPort-001-770-056 0.61 CC1=CCCCC1
MolPort-002-501-977 0.61 CC1CCC=CC1
MolPort-006-170-461 0.61 N[C@@H]1[C@H](CO)[C@@H]2C[C@H]1C=C2
MolPort-001-837-124 0.61 OCCCCCC=C
MolPort-003-846-754 0.61 CC(CCO)\C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C
MolPort-002-927-290 0.61 CC1(C)C2CCC(C2)\C1=C\CC(O)=O
MolPort-002-911-070 0.61 CC1C(OC2CC3C4CCC5CC(O)CCC5(C)C4=CCC3(C)C12)C1CCC(C)CO1
MolPort-002-525-832 0.61 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-001-741-051 0.61 C[C@]12CCC[C@@](C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O
MolPort-002-800-179 0.61 CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
MolPort-006-395-752 0.61 CC(C)C(C)\C=C\C(C)C1CCC2C(\C=C\C3=C(C)CC[C@@H](O)C3)=CCC[C@]12C
MolPort-000-737-923 0.61 CC1=CCCC(C1)C1OCC2CCC(=C)C1C2
MolPort-002-911-143 0.61 C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
MolPort-002-526-056 0.61 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
MolPort-006-112-202 0.61 CC(=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-002-509-754 0.61 CC(C)(CO)C1OC2CCCCC2C2C=CCCC12
MolPort-001-942-595 0.61 C1CCC2(C1)OC1CCCCC1C1=CCCCC21
MolPort-003-927-272 0.61 C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
MolPort-003-801-798 0.61 C[C@]1(C2CC(C=C2)[C@@H]1C(O)=O)C(O)=O
MolPort-005-944-881 0.61 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5C(O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-002-508-292 0.61 C1CCC2(C1)OC1CCCC[C@@H]1C1=CCCCC21
MolPort-006-066-916 0.61 OC(=O)C1[C@H]2C[C@@H](C=C2)[C@H]1C(O)=O
MolPort-002-510-704 0.61 C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
MolPort-002-510-183 0.61 C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
MolPort-001-783-149 0.61 OC(=O)[C@H]1C2CC(C=C2)[C@H]1C(O)=O
MolPort-002-511-646 0.61 C1CCC2(C1)O[C@@H]1CCCCC1C1=CCCCC21
MolPort-006-113-734 0.61 CC(=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-001-782-985 0.61 CC(=C)C1CCC(C)=CC1
MolPort-003-927-778 0.61 CC(=C)[C@H]1CCC(C)=CC1
MolPort-002-507-206 0.61 CC(=C)[C@@H]1CCC(C)=CC1
MolPort-006-128-225 0.61 C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-006-109-340 0.61 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(\C=C/C3=C(C)CC[C@H](O)C3)=CCC[C@]12C
MolPort-000-142-104 0.61 OC(=O)C1C2CC(C=C2)C1C(O)=O
MolPort-035-706-227 0.61 CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2[C@H]1O
MolPort-039-139-375 0.61 C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-019-937-543 0.61 CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
MolPort-039-139-477 0.61 C[C@H](CCCC(C)(O)CO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MolPort-035-706-269 0.61 C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
MolPort-038-386-610 0.61 C\C(CO)=C/CCC(CO)C1CCC2(C)C3CCC(C(=C)CO)C4(CCC(O)=O)CC34CCC12C
MolPort-035-705-880 0.61 CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O
MolPort-046-790-470 0.61 C[C@H](C\C=C\C(C)(C)O)[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-046-762-563 0.61 CC(=O)OC1(C)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C
MolPort-046-762-523 0.61 CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-039-338-961 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-039-052-452 0.61 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-023-331-697 0.61 CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)\C=C\C
MolPort-044-723-758 0.61 CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=CC
MolPort-020-915-860 0.61 CC(O)CCCC=C
MolPort-035-681-340 0.61 CC1(C)CCC=CC1
MolPort-046-684-541 0.61 C\C=C\C1CCCCC1
MolPort-046-689-523 0.61 CC(CCO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
MolPort-046-766-301 0.61 CC(CCO)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
MolPort-046-792-960 0.61 CC(CCO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
MolPort-044-754-112 0.61 C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-046-790-501 0.61 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-039-338-313 0.61 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(CO)=C3)C(O)=O
MolPort-046-592-940 0.61 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2I
MolPort-046-690-249 0.61 CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[C@]12C)\C=C\C1=C(C)CC[C@H](O)C1
MolPort-039-338-393 0.61 CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
MolPort-046-689-959 0.61 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
MolPort-021-804-809 0.61 CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-046-596-344 0.61 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
MolPort-044-723-229 0.61 C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-023-331-818 0.61 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2I
MolPort-046-792-935 0.61 CC(=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-027-640-565 0.61 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2I
MolPort-046-773-767 0.61 [2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C([2H])([2H])[2H]
MolPort-039-139-446 0.61 [2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C([2H])([2H])[2H]
MolPort-027-720-808 0.61 CCC(=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-042-623-001 0.61 NCC1(O)CC2CC1C=C2
MolPort-046-762-776 0.61 [2H]C1=C(C)CC([2H])([2H])C(C(C)=C)C1([2H])[2H]
MolPort-046-690-451 0.61 CC(=C)[C@@H]1CCC(=C)C(O)C1
MCULE-8919412541 0.61 C12CC(C(C(O)=O)C1C(O)=O)C=C2
MolPort-046-691-372 0.61 CC(C)=CCCC(=C)[C@H]1CCC(C)=CC1
MCULE-6352264601 0.61 IC1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MolPort-023-220-650 0.61 C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
MCULE-7009109930 0.61 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)CO)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MolPort-046-762-925 0.61 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(\C=C\C3=C(C)CC[C@H](O)C3)=CCC[C@]12C
MCULE-3658264641 0.61 NC1([C@@H]2C=C[C@@H](C2)C1)CO
MolPort-046-702-155 0.61 CC(CCC(O)C(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1/CC(O)CCC1=C
MCULE-3516804753 0.61 C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MolPort-035-941-531 0.61 CC1(C)CCC(Br)=C(CO)C1
MCULE-1210593087 0.61 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(I)=CC3)CC=2
MolPort-035-706-445 0.61 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MCULE-2832089707 0.61 C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
MolPort-028-960-858 0.61 OC(=O)C1[C@H]2C[C@H](C=C2)C1C(O)=O
MCULE-8008111833 0.61 [C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
MolPort-046-693-184 0.61 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MCULE-3353799719 0.61 [C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
MolPort-046-765-264 0.61 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
MCULE-1536126723 0.61 C(O)(C1C(C2C3(CCCC3)C1C=C2)C(O)=O)=O
MolPort-039-052-559 0.61 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
MCULE-4963816026 0.61 O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
MolPort-027-947-880 0.61 OC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@H]1C(O)=O
MCULE-9024219601 0.61 C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
MolPort-030-084-563 0.61 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
MCULE-9448141357 0.61 C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
MolPort-046-153-161 0.61 CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MCULE-8057091309 0.61 [C@@]1(C)(C(O)=O)[C@@H](C(O)=O)C2C=CC1C2
MolPort-035-706-444 0.61 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MCULE-1585586063 0.61 C12C(CCC(=O)C=1)CC(C(O)=O)C2
MolPort-039-052-516 0.61 C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MCULE-2767947794 0.61 C1=CC2CC1C(CN)(O)C2
MolPort-035-706-399 0.61 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C
MCULE-8671876949 0.61 C12CC(C3C(=O)C(O)C13)C=C2
MCULE-3257430992 0.61 C1(CO)C(N)C2CC1C=C2
MCULE-2810354958 0.61 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-8179123738 0.61 [C@@H]1(C(=O)O)[C@]2([H])C=C[C@@]([H])(C2)[C@H]1C(=O)O
MCULE-1200902641 0.61 OC1(C2C=CC(C2)C1)CC1C(F)(F)C1
MCULE-9798718462 0.61 [C@@H]12C[C@H]([C@@H](C(O)=O)[C@@H]1C(O)=O)C=C2
MCULE-9381861258 0.61 C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-4041587918 0.61 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(I)=CC3)CC=2
MCULE-5797410500 0.61 O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
MCULE-7712069033 0.61 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MCULE-2170216646 0.61 O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
MCULE-9301209033 0.61 [C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
MCULE-8464537126 0.61 CC12C(O)CCCC1=CC(=O)CC2
MCULE-1470048128 0.61 C1[C@H](O)C[C@H](O)C(/C/1=C\C=C1/CCC[C@]2([C@@]/1([H])CC[C@@H]2[C@@H](/C=C/[C@H](C)C(O)(C)C)C)C)=C
MCULE-2151239915 0.61 C1CC2(C3C(=CCCC3)C3C(CCCC3)O2)CC1
MCULE-9709796841 0.61 OC1(C#C)C2C=CC(C2)C1
MCULE-3720640184 0.61 C=C1/C(=C\C=C2/CCC[C@@]3([C@H](CC[C@@]/23[H])[C@@H](/C=C/[C@@H](C(O)(C)C)C)C)C)/C[C@@H](O)C[C@@H]1O
MCULE-3559356203 0.61 O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
MCULE-7932579394 0.61 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-3904768131 0.61 OC1([C@@H]2C=C[C@@H](C2)C1)CC1C(F)(F)C1
MCULE-5895129214 0.61 CC(C(C12CCCCC1C2)O)=C
MCULE-1385130554 0.61 C1C[C@H](C(=C)C)CCC=1C
MCULE-2211343054 0.61 CC(C(C1CC2C(C2)CC1)O)=C
MCULE-2418278489 0.61 OC(C1CC2C(C2)CC1)CC=C
MCULE-5064578979 0.61 C12C3C(C=C1)C1C=CC4C5C=CC2C5C3C41
MCULE-2462317444 0.61 C(C)(=C)C1CCC(=CC1)C
MCULE-3637458682 0.61 C1CC(O)(C2C(=C)C2)CCC1
MCULE-6736529827 0.61 C=C(C)[C@H]1CCC(C)=CC1
MCULE-7729149940 0.61 OC(C1C2C(C2)CCC1)CC=C
MCULE-4490847411 0.61 OC(C12CCCCC1C2)CC=C
MCULE-9230442087 0.61 OC(C12CCCCC1C2)C=C
MCULE-2598263714 0.61 C1[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@@]2([H])C(=C)C1
MCULE-3826405358 0.61 CC(C(C1C2C(C2)CCC1)O)=C
MCULE-7380592285 0.61 C(C)(=C)[C@@H]1CCC(=CC1)C
MCULE-5992544838 0.61 C1(C)CC[C@H](C(C)=C)CC=1
MCULE-8837919765 0.61 OC(C1CC2C(C2)CC1)C=C
MCULE-5575092630 0.61 CC(C(CC1CC=CC1)(O)C)N
MCULE-3459478440 0.61 CC(C(CC1CC=CC1)=O)(O)C
MCULE-3216123627 0.61 C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
MCULE-3171016035 0.61 C1CCC2C(C(O)=O)C2C=CC1
MCULE-4039045377 0.61 C1(CC(C(=C)CC1)=CC=C1CCCC2(C)C1CCC2C(C)CCC(O)C(O)(C)C)O
MCULE-6001784621 0.61 C(C1CC(C)(C)CCC=1Br)O
MCULE-9003736305 0.61 [C@@H]1(O)C[C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(I)=CC3)CC2
MCULE-5950982949 0.61 NC1(C(CC2CCCC=2)O)CCCC1
MCULE-8805410883 0.61 NC1(CC=CCC1)CCC1(CCC1)O
MCULE-3459401523 0.61 OC1C(CC2CC=CCC2)COCC1
MCULE-5683974067 0.61 C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
MCULE-2960890696 0.61 C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
MCULE-7882923775 0.61 [C@]12(C)CCC/C(=C\C=C3\C[C@@H](O)CCC\3=C)/[C@]1([H])CC[C@@H]2[C@H](C)CC[C@H](O)C(C)(C)O
MCULE-6042885677 0.61 [C@]12(C)CCC/C(=C\C=C3\C[C@H](CCC\3=C)O)/[C@]1([H])CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O
MCULE-8207797429 0.61 NC1CC(C(C2CCCCC=2)O)C1
MCULE-5331897390 0.61 C12(C)CC=C3C4(C)CCC(O)CC4CCC3C1CC1OC(C3OCC(C)CC3)C(C)C21
MCULE-9565601037 0.61 C12CC(OCCO)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-4351701102 0.61 C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
MCULE-1911874268 0.61 C12CC(OCC=C)CCC1(C)C1CCC3(C)CCCC3C1CC=2
MCULE-7665525246 0.61 C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21)[H]
MCULE-1881125601 0.61 C(C)(C)(C)C1CC/C(/CC1)=C(/C)\C
MCULE-4811265406 0.61 C12(CC3CC(CC(C3)C1)C2)C=CC
MCULE-3233444254 0.61 C(/C)(\C)=C/CCC(C)CC=CCC
MCULE-6675505799 0.61 CCC=CCCCCC=CCC
MCULE-3621740975 0.61 CCCCCC=CC(C)C
MCULE-6343106785 0.61 C1C(C)CC=CC1
MCULE-9302425722 0.61 C1(CCCCC=1C)C
MCULE-4493898127 0.61 CCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](/C=C/C)CC2)CC1
MCULE-4236330435 0.61 C1(C)(CC/C=C(\C)/C)CC(C)(C)CCC1
MCULE-5453347985 0.61 CC1CCC(CC/C=C(\C)/C)CC1
MCULE-9491766453 0.61 C1CC(C)(C)C(C)(C)CC=1
MCULE-2740140034 0.61 CCCCCC=CC(C)(C)C
MCULE-7235150219 0.61 CC1C(C)CC(CC/C=C(\C)/C)CC1
MCULE-9648779204 0.61 CC1CC(CC/C=C(\C)/C)CCC1
MCULE-2586633782 0.61 CC1CC(CC/C=C(\C)/C)CC(C)C1
MCULE-3936525776 0.61 C/C(/C)=C/CCC1CCCC1
MCULE-1565327857 0.61 C1C2(C3C4C5(CC5)C(C3C=C2)C=C4)C1
MCULE-2969279833 0.61 CC(C=C1C(C)CCCCC1)O
MCULE-4759918974 0.61 OCC=CC1CC2C(C2)C1
MCULE-4595016838 0.61 NC1(CC=CC1)CC1(CCCC1)O
MCULE-1183560917 0.61 C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
MCULE-9125416373 0.61 NC1(CC=CC1)CC1CC(O)CCC1
MCULE-3822981443 0.61 C/C(/C)=C/C(C[C@H]1[C@H](N)CCC1)O
MCULE-1387862734 0.61 C/C(/C)=C/C(C1C(CN)CCCC1)O
MCULE-2625117368 0.61 C/C(/C)=C/C(C1C(CN)CCC1)O
MCULE-3472872402 0.61 C/C(/C)=C/C(C1[C@@H](CN)CCC1)O
MCULE-9720525966 0.61 C/C(/C)=C/C(CC1C(N)CCCC1)O
MCULE-9959713129 0.61 C/C(/C)=C/C(C1CC(N)CCC1)O
MCULE-3622038474 0.61 C/C(/C)=C/CCC1(CC(N)CCC1)O
MCULE-2241084635 0.61 C/C(/C)=C/C(CC1(CCCC1)N)O
MCULE-8589268870 0.61 NC1(CC=CC1)CC1C(O)CCCC1
MCULE-8327721791 0.61 C12CCC(C(C)(C)C1=CCC(=O)O)C2
MCULE-8343292690 0.61 C/C(/C)=C/C(CC1C(N)CCC1)O
MCULE-7053911643 0.61 C(O)(=O)CC1C(CC=CC)CC(C1)=O
MCULE-3600048668 0.60 [C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
MCULE-4272187140 0.60 C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
MCULE-4325412913 0.60 OC1C(CCC2CCCCC=2)COC1
MCULE-9137191737 0.60 C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
MCULE-4280394560 0.60 C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
MCULE-7931570631 0.60 OC(C1CSC1)CC1CC=CCC1
MCULE-2646733803 0.60 C123C=CC1(CC1OC1C2)CCCC3
MCULE-6588005387 0.60 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([C@]([C@@H](C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)([C@H]1O)CO)O)(C(=O)O)CCC(C)(C)C5)[H]
MCULE-7186760793 0.60 C1C[C@]2(C)[C@@H](/C=C/C(=O)C)[C@](C)(O)[C@@H](O)[C@H](O)C2C(C)(C)C1
MCULE-7688714216 0.60 O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
MCULE-3944846652 0.60 C1(O)(C#C)C=C(C)C2C(C)(C)C1C2
MCULE-2991720663 0.60 C123C(C([H])(O)C1=O)(CC=CC2)CC=CC3
MCULE-5595700484 0.60 [H]C12CC=CCC1(C)C1CCC3(C)CCCC3C1C(C2)=O
MCULE-8646276663 0.60 C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-7221302841 0.60 CC1(C)CC2C(C(O)=O)(CCC3C4(C)CCC5C(C(O)=O)(C)C(O)C(O)CC5(C)C4CCC=32)CC1
MCULE-8635473086 0.60 C(O)(CC=C)(CC=C)CCCCCCCCCCCCCCCCCCCCC
MCULE-5324574178 0.60 OC1(C(F)F)C2C=CC(C2)C1
MCULE-4124749273 0.60 CC(C(C1C2(CC2)C1)O)=C
MCULE-2445362476 0.60 C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
MCULE-4461071719 0.60 OC1(C2CCOCC2)C2C=CC(C2)C1
MCULE-9966885116 0.60 [C@@H]1(O)CC2(C3CC=C4C5C(C)C(=C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)[C@H]1O)C
MCULE-4639928435 0.60 C1CC2(C)C3CCC4(C)C(C(C)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-9248944569 0.60 C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
MCULE-6949149768 0.60 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
MCULE-7799349685 0.60 ClC1C(CC2C3C=CC(CC3)C2)CCC1
MCULE-1163586740 0.60 CC1C(C=C)(O)CCCCC1
MCULE-3455137708 0.60 C(O)(CC(C)CC/C=C(/C)\C)=O
MCULE-2022303549 0.60 C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
MCULE-1720910553 0.60 [O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
MCULE-3321074503 0.60 [C@@]12([H])C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@H](CC[C@@]1([H])C2=C)C3
MCULE-8244497957 0.60 CC(C1CCC1)C(C=C)O
MCULE-2036056204 0.60 C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
MCULE-5353927754 0.60 BrC1CC(CC2C3C=CC(CC3)C2)CC1
MCULE-1391058013 0.60 C12(CC1)C1C=CC2C(C1C(O)=O)C(O)=O
MCULE-8806913722 0.60 CCC1C(C=C)(O)CCCCC1
MCULE-4398945581 0.60 C12(C)CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-1049317957 0.60 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-6356568434 0.60 OC(C1CC2(CCC2)C1)C=C
MCULE-8353036539 0.60 C1CC2([H])CC3(OCCO3)CC2([H])CC=1
MCULE-3860629045 0.60 C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
MCULE-6501593178 0.60 C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
MCULE-7149903922 0.60 C1CC2(C)CC3(OCCO3)CC2(C)CC=1
MCULE-9929818229 0.60 [Na+].[Na+].C1C2CC(C(C([O-])=O)C2C([O-])=O)C=1
MCULE-1146015085 0.60 OC(C1CC2(CCC2)C1)CC=C
MCULE-2620336582 0.60 CCC1C(C(C)=C)(O)CCCCC1
MCULE-6612769472 0.60 CC(C(C1CC2(CCC2)C1)O)=C
MCULE-7278937153 0.60 CCOC1CCC(/C=C(\C)/C)(O)CC1
MCULE-8867269901 0.60 CCC1C(CC=C)(O)CCCCC1
MCULE-1740726456 0.60 C/C(/C)=C/CCC1CCCCCCC=1
MCULE-5186769141 0.60 C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-5715586535 0.60 C12(C3C=CC(C45C=CC34CC=CC5)C1([H])COC2)[H]
MCULE-3935898183 0.60 C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
MCULE-2601149580 0.60 CC1C(CC=C)(O)CCCCC1
MCULE-6814419815 0.60 [C@]12(C)CCC3C(CC[C@@]4([H])CC=CC[C@]34C)C1CCC12OCCO1
MCULE-3259874247 0.60 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-5317851297 0.60 CC(C1C(CC=C)(O)CCCCC1)C
MCULE-6373444184 0.60 CC(C1C(C=C)(O)CCCCC1)C
MCULE-1881964892 0.60 C(CCCC=CCCCC(O)=O)(O)=O
MCULE-3272252898 0.60 O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
MCULE-4347410922 0.60 ClC1CC(CC2C3C=CC(CC3)C2)CC1
MCULE-4777198621 0.60 CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-3304274375 0.60 C12=CCC(C)C1CC1(O)C(C)(CO)C2(C)CC1=O
MCULE-3837747177 0.60 ICCC([H])=C([H])CCCCO
MCULE-5575647926 0.60 C(C1CCCCCCC=1)C1CC=CC1
MCULE-1438242882 0.60 C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
MCULE-9921246997 0.60 O[C@H]1C[C@]2(C=O)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
MCULE-9463473752 0.60 C1C2OC2CCC=CC1
MCULE-2620645862 0.60 [O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
MCULE-1451020763 0.60 CC(CC(C1CC2(CCC2)C1)O)=C
MCULE-4866846067 0.60 CC(C1C(C(C)=C)(O)CCCCC1)C
MCULE-5416843557 0.60 BrC1C(CC2C3C=CC(CC3)C2)CCC1
MCULE-2791131855 0.60 [C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
MCULE-9358355806 0.60 C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
MCULE-3292738983 0.60 C12(C)CCC(C(C)C)=C1CCC(C)CC2
MCULE-5841728721 0.60 O=C1CC2(CC=C3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)C1)[H]
MCULE-6325385060 0.60 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
MCULE-3537216178 0.60 C=CCCC1CCCCCCC=1
MCULE-9416273604 0.60 CC1(CC[C@@]2(C(=O)O)[C@H](C3=C(CC2)[C@@]2(CC[C@H]4[C@@](C(=O)O)(C)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]2CC3)C)C1)C
MCULE-5388707513 0.60 OCC1(CC2(CCC2)C1)CC=C
MCULE-8463642691 0.60 C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-7463891162 0.60 CC(C(C1C(C2CC2)C1)O)=C
MCULE-5480996294 0.60 O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-2404322318 0.60 C(=O)(CC(O)C/C=C\CCCCCC)O
MCULE-5243836648 0.60 C1(CO)C(N)C2CC1C=C2.Cl
MCULE-8115884500 0.60 OC(C1C(C2CC2)C1)C=C
MCULE-4822409054 0.60 C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-8953627920 0.60 [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(CO)=O)[H]
MCULE-4800437481 0.60 C1(C(C)(C)C)C(CO)([H])C(CO)([H])C=1C(C)(C)C
MCULE-6946131615 0.60 C12C=CCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-9042320602 0.60 OC(C1C2(CC2)C1)CC=C
MCULE-6528641534 0.60 OC1(C(F)(F)F)C2C=CC(C2)C1
MCULE-7299298141 0.60 [C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-6910147399 0.60 CC1C(C(C)=C)(O)CCCCC1
MCULE-3023312584 0.60 C1C=CC(C2C=CCCCCC2)CCCC1
MCULE-5328909649 0.60 C1CCC=CCCC(OC)C(O)CCC=1
MCULE-7513685245 0.60 CC1C(CCC=C)(O)CCCCC1
MCULE-1916767135 0.60 O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
MCULE-6077958460 0.60 C(OC)(CC1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-1541926426 0.60 C1C[C@]2(C)C3=CC[C@@]4([C@@]([C@@H](C[C@@]4(C)C3=CC[C@@]2([H])C([C@H]1O)(C)C)O)([H])[C@H](C(O)=O)CCC(=C)C(C)C)C
MCULE-5791637196 0.60 C1CCC23CC12C(O)C=CC3=O
MCULE-5486393555 0.60 C(OC)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-4791941925 0.60 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(=O)CC(C(C#N)C#N)(C#N)C#N
MCULE-6072665694 0.60 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-6259050360 0.60 [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-9335291007 0.60 CC1(C(=O)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-3748987081 0.60 OC1CC(C)(C)C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2C(C)(C)CC(O)CC=2C)\C)\C)/C)/C)=C(C)C1
MCULE-7930269142 0.60 C12C(C1/C(/C1CC21)=C(\C)/C)C(O)=O
MCULE-7057445911 0.60 C12C(C=CC1)C2C(O)=O
MCULE-6334133550 0.60 C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
MCULE-9532014931 0.60 NC1(CC1)CC(C1CCCCC=1)O
MCULE-6290324683 0.60 C12C3C(C(O)(C4(O)C5C6C(C=CC64)C=C5)C3C=C1)C=C2
MCULE-9123480850 0.60 C1(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2C(C)(C)C[C@@H](CC=2C)O)C(C)(C)C[C@@H](CC=1C)O
MCULE-9123998949 0.60 C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
MCULE-8251556719 0.60 [C@H]1(C/C=C\CCO)C(CC[C@@H]1CC(=O)O)=O
MCULE-7400247321 0.60 C12C=CC(C)C1C2C(O)=O
MCULE-8878110559 0.60 NC1(CCC1)CC(C1CCCCC=1)O
MCULE-1873537798 0.60 C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
MCULE-9684432501 0.60 CC1(C(C2CCCCC=2)(O)CC1N)C
MCULE-7465676826 0.60 CC1(C(/C=C/C(=C/C=C/C(=C/C=C)/C)/C)=C(C)C[C@@H](O)C1)C
MCULE-1389125280 0.60 C/C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1C(C)(C)C[C@H](O)CC=1C)/C)/C)\C)/C=C/C1C(C)(C)C[C@H](O)CC=1C
MolPort-005-944-289 0.60 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
MolPort-001-740-910 0.60 CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
MolPort-002-932-776 0.60 CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-006-170-458 0.60 Cl.N[C@H]1[C@@H](CO)[C@@H]2C[C@H]1C=C2
MolPort-003-911-807 0.60 C1CC2OC2CC\C=C/1
MolPort-006-391-847 0.60 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
MolPort-001-740-973 0.60 C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
MolPort-006-393-332 0.60 [2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
MolPort-006-113-487 0.60 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)CCC(=O)C=C12
MolPort-002-510-100 0.60 CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-994-694 0.60 OC(=O)C1C(C2C=CC1C21CC1)C(O)=O
MolPort-006-668-579 0.60 CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
MolPort-002-510-659 0.60 CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-007-980-854 0.60 CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-006-069-316 0.60 C[C@]12CCC(=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-002-510-127 0.60 C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC21OCCO1
MolPort-006-112-444 0.60 [Na+].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-001-792-025 0.60 CC(CCC=C(C)C)CC(O)=O
MolPort-001-794-637 0.60 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)CO
MolPort-002-157-619 0.60 CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-002-928-756 0.60 CC1=CC(O)(C#C)C2CC1C2(C)C
MolPort-001-742-437 0.60 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O
MolPort-002-159-548 0.60 CCCCC1(CC(C)=C(C)CC1C(O)=O)C(O)=O
MolPort-000-832-360 0.60 CC1(C)CCCC2=C1CC(C(C2)C(O)=O)C(O)=O
MolPort-002-130-596 0.60 CC1=CC(C)(C)C(C(C1)C(O)=O)C(O)=O
MolPort-002-114-330 0.60 CC1C=C(C)CC(C1C(O)=O)C(O)=O
MolPort-002-529-268 0.60 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
MolPort-006-131-902 0.60 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)CO
MolPort-002-176-715 0.60 CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-687-552 0.60 OC(=O)CCC\C=C/CCCC(O)=O
MolPort-002-529-087 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)CO
MolPort-000-713-768 0.60 CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-003-930-561 0.60 C[C@H](CCC=C(C)C)CC(O)=O
MolPort-002-054-120 0.60 Cl.NC1C(CO)C2CC1C=C2
MolPort-009-019-391 0.60 CCCCCCCCCCCCCCC\C=C/CC\C=C/CCCCCC
MolPort-039-338-865 0.60 CC1(C)CC[C@@]2(CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
MolPort-023-279-448 0.60 C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
MolPort-020-005-851 0.60 CC1(C)CC[C@@]2([C@H](O)C[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-046-594-247 0.60 CC1(C)CCC2(CCC3=C(CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O
MolPort-035-706-300 0.60 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-727-658 0.60 [Na+].CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-039-338-084 0.60 [Na+].[Na+].[O-]C(=O)C1C2CC(C=C2)C1C([O-])=O
MolPort-035-706-401 0.60 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-046-764-482 0.60 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC(=C)[C@]34C)[C@@H]1CCC2=O
MolPort-035-706-447 0.60 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-035-706-454 0.60 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-035-706-461 0.60 C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O
MolPort-035-924-387 0.60 CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
MolPort-028-610-006 0.60 CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O
MolPort-046-765-489 0.60 CC[C@]12CC[C@@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@H]1CCC2(O)C#C
MolPort-046-766-226 0.60 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
MolPort-044-727-656 0.60 [Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC([O-])=O
MolPort-046-766-234 0.60 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
MolPort-042-624-137 0.60 C\C=C1/[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1=O)[C@H](C)CCC(O)=O
MolPort-044-195-719 0.60 C1C[C@H]2O[C@H]2CC\C=C/1
MolPort-044-559-951 0.60 [Cl-].[Cl-].[Ir].[Ir].C1CCC\C=C/CC1.C1CCC\C=C/CC1.C1CCC\C=C/CC1.C1CCC\C=C/CC1
MolPort-046-693-022 0.60 CC[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-044-637-555 0.60 CCCCCC\C=C/CC(O)CC(O)=O
MolPort-044-649-696 0.60 COCC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-044-755-253 0.60 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)CO
MolPort-021-804-637 0.60 CC1CC=C2C1CC1(O)C(=O)CC2(C)C1(C)CO
MolPort-019-936-770 0.60 CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3
MolPort-039-138-850 0.60 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-035-706-459 0.60 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)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-046-790-462 0.60 CC(=O)\C=C\[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C
MolPort-035-706-398 0.60 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)C1(C)C
MolPort-023-220-752 0.60 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-035-706-384 0.60 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-021-804-494 0.60 CC(=O)\C=C\[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)C2C(C)(C)CCC[C@]12C
MolPort-046-158-505 0.60 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-027-853-644 0.60 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]3(C)CCC3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
MolPort-039-138-854 0.60 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-835-540 0.60 CC1(C)CC[C@@]2([C@H](O)C[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-046-683-789 0.60 [2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-020-005-732 0.60 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
MolPort-027-836-470 0.60 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-019-949-553 0.60 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-046-793-261 0.60 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 0.60 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-046-596-366 0.60 CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-196-703 0.60 C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
MolPort-046-682-132 0.60 [Na+].CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
MolPort-044-755-196 0.60 CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-622-310 0.60 NCC1CC2CC1C=C2.OC(=O)C1C[C@H]2CC[C@@H]1C2
MCULE-8922781922 0.60 OC(C1OCCC1)CC1CC=CCC1
MCULE-8789756191 0.60 C12(C)C(=CCC)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O
MCULE-6934635209 0.60 C1C[C@]2(C)[C@@]3([H])CC[C@]4([C@]5([H])CC(C)(C)CC[C@@]5(CC=C4[C@]3(C)CC[C@@]2([H])C([C@H]1OC(=O)C)(C)C)C)C
MCULE-4609643145 0.60 C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
MCULE-1726466932 0.60 C1CCC2C(OC)([H])C2C=1
MCULE-8052468805 0.60 C1C(CC)C(C(=O)O)C(C(=O)O)CC=1
MCULE-4874634113 0.60 C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
MCULE-9356650334 0.60 C1C2C3C([H])(CO)C(C([H])(O)C=CC23)C=1
MCULE-7329243914 0.60 C12(CO)CCC(C(C)(CCC(C)CC(O)=O)C1CCC=C2CO)C