SANC00553 Octandronic acid




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-002-474-033 1 OC(=O)C1CCC2CCCCC2C1
MolPort-023-278-638 1 CCC1CCC(CC1)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-656-868 1 CC([C@H](C)C(O)=O)C1CCCCC1
MolPort-035-718-750 1 OC(=O)C12CC3CC(C1)CC(C3)(C2)C12CC3CC(CC(C3)(C1)C(O)=O)C2
MolPort-046-656-870 1 C[C@@H](C1CC(C)CC(C)(C)C1)C(O)=O
MolPort-031-761-131 1 CC1(C)CC(CC(C)(C)C1)C(O)=O
MolPort-046-658-718 1 C[C@H](C(O)=O)C(C)(C)C1CCCCC1
MolPort-023-278-843 1 CCCCCC1CCC(CC1)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-659-248 1 C[C@H](C1CCC(CC1)C(C)(C)C)C(O)=O
MolPort-005-314-040 1 OC(=O)C1CC2CCCC(C2)C1
MolPort-005-937-271 1 CCCCCCCC1CCC(CC1)C(O)=O
MolPort-019-997-846 1 CC(C)CC1CCC(CC1)C(O)=O
MolPort-020-001-561 1 [O-]C(=O)C12CC3CC(CC(C3)C1)C2
MolPort-000-692-443 1 CC12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-029-097-370 1 CC(C)(C1CCC(O)CC1)C(O)=O
MolPort-029-097-364 1 CC(C1CCC(C)(O)CC1)C(O)=O
MolPort-029-096-408 1 CC1(O)CCC(CC(O)=O)CC1
MolPort-000-653-708 1 OC(=O)CCCC12CC3CC(CC(C3)C1)C2
MolPort-006-022-419 1 CC1CCCC(CC(O)=O)C1
MolPort-006-022-420 1 CC1CCCCC1CC(O)=O
MolPort-011-151-085 1 OC(=O)C1(CC2CCCCC2)CCCCC1
MolPort-023-332-599 1 OCC12CCC(CC1)(CC2)C(O)=O
MolPort-006-109-428 1 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(O)=O
MolPort-021-522-627 1 CC1CCC(CC(O)=O)CC1C
MolPort-029-515-167 1 CC(C)(O)C1CCC(CC1)C(O)=O
MolPort-000-871-571 1 OC(=O)C1CCCCC1
MolPort-029-662-676 1 CC(C)CCC1CCC(CC1)C(O)=O
MolPort-046-671-934 1 C[C@H](C1CCCCC1C)C(O)=O
MolPort-004-413-735 1 CCCCC1CCC(CC1)C(O)=O
MolPort-004-769-269 1 CC1CCC(CC1C)C(O)=O
MolPort-012-194-019 1 CC(C)C(CC1CCCCC1)C(O)=O
MolPort-046-662-037 1 CC([C@@H](C)C(O)=O)C1CCCCC1
MolPort-012-193-976 1 CCCC(CC1CCCCC1)C(O)=O
MolPort-000-877-474 1 OC(=O)C12CCC(CC1)(CC2)C(O)=O
MolPort-029-761-415 1 OC(=O)CC1CCCC2CCCCC12
MolPort-012-193-818 1 CC(CC1CCCCC1)C(O)=O
MolPort-029-759-971 1 OC(=O)C1CCCC2CCCCC12
MolPort-012-193-933 1 CCC(CC1CCCCC1)C(O)=O
MolPort-046-672-043 1 C[C@@H](C1CCCC(C)(C)C1)C(O)=O
MolPort-005-169-848 1 CC1CC(CC(O)=O)CC(C)(C)C1
MolPort-005-204-076 1 CCC(C)(C)C1CCC(CC(O)=O)CC1
MolPort-023-313-911 1 CC1(C)CCCCC1CC(O)=O
MolPort-046-651-313 1 C[C@H](C1CCCC(C)(C)C1)C(O)=O
MolPort-046-651-312 1 C[C@@H](C(O)=O)C(C)(C)C1CCCCC1
MolPort-046-651-308 1 C[C@H](C1CCC(C)(C)CC1)C(O)=O
MolPort-002-800-559 1 CC1CC(C)(CCC1(C)C)C(O)=O
MolPort-002-510-840 1 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-022-879-451 1 CC(C)(C1CCCCC1)C(O)=O
MolPort-044-197-308 1 CC1CC(C)(C)CC(C)(C1)C(O)=O
MolPort-002-039-793 1 CC(C)C1CCC(CC1)C(O)=O
MolPort-014-559-198 1 CC(C)(C)C1CCCCC1C(O)=O
MolPort-014-559-196 1 CCC(C)(C)C1CCC(CC1)C(O)=O
MolPort-002-638-941 1 CC(C1CCCCC1)C(C)(CCC(O)=O)CC(O)=O
MolPort-002-680-331 1 OCC1CCC(CC1)C(O)=O
MolPort-002-695-725 1 CCC1(CCCCC1)C(O)=O
MCULE-1933467839 1 C(C)(CCC(O)=O)(C(C)C1CCCCC1)CC(O)=O
MolPort-001-925-102 1 CCCC12CCC(CC1)(CC2)C(O)=O
MCULE-8982391334 1 C(O)(=O)[C@@H]1CC[C@@H](CC1)CO
MolPort-001-917-464 1 OC(=O)CCC12CC3CC(CC(O)(C3)C1)C2
MCULE-5114390066 1 CC(C1C(C(O)=O)CCCC1)(C)C
MolPort-002-798-548 1 CCCCCC12CCC(CC(O)=O)(CC1)CC2
MCULE-4425753830 1 C(O)(C12CC3(CC(O)=O)CC(C1)CC(C3)C2)=O
MolPort-001-917-084 1 CCCCCCC1CCC(CC1)C(O)=O
MCULE-8283535111 1 C12(CC3CC(CC(C)(C3)C1)(C)C2)C(O)=O
MolPort-001-915-015 1 CCCCC1CCC(CC1)C1CCC(CC1)C(O)=O
MCULE-5257715430 1 C12CC3(CC(=O)O)CC(CC(C3)C1)C2
MolPort-002-798-661 1 CCCCCCCC1CCC(CC1)C1CCC(CC1)C(O)=O
MCULE-9995838778 1 C12(CC3CC(CC(C3)(CC(O)=O)C1)(CC(O)=O)C2)C(O)=O
MolPort-002-131-380 1 OC(=O)CC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MCULE-2016363878 1 C(O)(CC1CCC(CC1)=O)=O
MolPort-002-501-932 1 OC(=O)C1CCC(CC1)C(O)=O
MCULE-7093083232 1 C(O)(=O)C1CCC(CC1)CCCCCC
MolPort-002-143-073 1 CCCCCC1CCC(CC1)C(O)=O
MCULE-2678326595 1 C(O)(=O)C1CCC(CC1)CO
MolPort-002-486-958 1 CC(C)C12CCCC(CCC1)(C2)C(O)=O
MCULE-1678504171 1 C12(O)CC3CC(CC(C3)(CCC(O)=O)C1)C2
MolPort-022-375-288 1 OC1CC2CC(C1)CC(C2)C(O)=O
MCULE-8685057779 1 O=C1C(CCCC(O)=O)CCC(C)(C)C1
MolPort-022-374-690 1 OC(=O)C1CC2CC(C1)CC(=O)C2
MCULE-4715628483 1 [C@@H]1(C(O)=O)CC[C@@H]([C@@H]2CC[C@@H](CCCCC)CC2)CC1
MolPort-044-770-009 1 CC(C)(C)[C@@H]1CCCC[C@H]1C(O)=O
MCULE-2621743907 1 [C@@H]1(C(O)=O)CC[C@@H]([C@@H]2CC[C@@H](CCCC)CC2)CC1
MolPort-044-770-043 1 C[C@@H]1C[C@@H](CC(C)(C)C1)C(O)=O
MCULE-3810257141 1 CC1CC(C)(C)CC(CC(O)=O)C1
MolPort-002-468-701 1 OC(=O)C1C2CC3CC(C2)CC1C3
MCULE-4581534617 1 C12(CC3CC(CC(C3)C1)C2)C(O)=O
MolPort-002-486-954 1 CC12CCCC(CCC1)(C2)C(O)=O
MCULE-8010746516 1 OC(CC1C2CC3CC1CC(C3)C2)=O
MolPort-002-494-531 1 CC(C)[C@H]1CC[C@@H](CC1)C(O)=O
MCULE-2535173520 1 C1C(CCC(CCCCC)C1)C(=O)O
MolPort-046-023-975 1 C[C@H](CC1CCCCC1)C(O)=O
MCULE-7073762782 1 C(O)(=O)C(C)C1CCCCC1
MolPort-002-499-443 1 C[C@H]1CC[C@H](CC(O)=O)CC1
MCULE-7070742333 1 C12(CC3CC(CC)(CC(C3)(CC(O)=O)C1)C2)CC(O)=O
MolPort-022-384-912 1 OC(=O)C1CC2CC(C1)CC(C2)C(O)=O
MCULE-6181291927 1 [C@@H]1(C(O)=O)CC[C@@H]([C@@H]2CC[C@@H](CC)CC2)CC1
MolPort-022-456-312 1 CCC(C1CCC(C)CC1)C(O)=O
MCULE-8990843958 1 C12(CC3CC(CC(C3)(CC)C1)C2)CC(O)=O
MolPort-016-635-248 1 CC(CC(O)=O)C1CCCCC1
MCULE-8512937446 1 CC1C(CC(O)=O)CCCC1
MolPort-002-146-681 1 CC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MCULE-9762602624 1 C(C)(C)(C1CCC(CC1)C(C)(C)C)C(O)=O
MolPort-002-143-377 1 CCCC1CCC(CC1)C1CCC(CC1)C(O)=O
MCULE-7882506747 1 CC1(CCCCC1)CC(O)=O
MolPort-002-800-558 1 CC(C)(C)C1CCC(C)(CC1)C(O)=O
MCULE-4037231044 1 C(C1CCC(C(O)=O)CC1)C(C)C
MolPort-001-895-275 1 CCCCCC1CCC(CC1)C1CCC(CC1)C(O)=O
MCULE-3393729107 1 OC(C1(C2CCCCC2)CCCCC1)=O
MolPort-046-651-307 1 C[C@H](C1CCCCC1(C)C)C(O)=O
MCULE-8177394227 1 CC1CC(CC(O)=O)CCC1
MolPort-001-822-691 1 OC(=O)CC12CC3CC(C1)CC(C3)(C2)C(O)=O
MCULE-1239882099 1 CCC1(C(O)=O)CCCCC1
MolPort-039-240-098 1 OC(=O)CCC1(CC(O)=O)CCCCC1
MCULE-9298070687 1 [C@@]1(CC[C@]([H])([C@]2([H])CC[C@@]([H])(C(=O)O)CC2)CC1)([H])C
MolPort-003-716-734 1 CC12CC3(C)CC(CC(O)=O)(C1)CC(CC(O)=O)(C2)C3
MCULE-1355122948 1 [C@@]1(CC[C@]([H])(CCC(=O)O)CC1)([H])CCCCC
MolPort-003-721-611 1 CCC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MCULE-4989852289 1 CC1(C(C(O)=O)CCCC1)C
MolPort-003-802-926 1 CC(C)(C)C1CCC(CC1)C(C)(C)C(O)=O
MCULE-4414065035 1 CC1CC(C(O)=O)CC(C)C1
MolPort-046-530-663 1 CC(C)(C)[C@@H]1CCCC[C@@H]1C(O)=O
MCULE-6485034715 1 CC[C@@H]1CC[C@@H](C(O)=O)CC1
MolPort-023-220-632 1 CCCCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C(O)=O
MCULE-7668550184 1 CCC1C(C(O)=O)CCCC1
MolPort-038-949-054 1 CCC(C)CC1CCC(CC1)C(O)=O
MCULE-4327900578 1 O=C(CC1CCC(O)CC1)O
MolPort-038-948-918 1 CCC(C)CCC1CCC(CC(O)=O)CC1
MCULE-8009184802 1 C1(C(O)=O)CC(C)CCC1C(C)C
MolPort-038-948-837 1 CC(C)CCCC1CCC(CC(O)=O)CC1
MCULE-6403340018 1 CCC(C1CCC(CC(=O)O)CC1)(C)C
MolPort-038-941-807 1 OC(=O)CC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
MCULE-7467581189 1 O=C(CCCCCC1CCCCC1)O
MolPort-001-770-051 1 OC(=O)CC1CCCCC1
MCULE-6704404403 1 C(O)(=O)[C@H](C1CCCCC1)C
MolPort-003-911-706 1 CC(C1CCCCC1)C(O)=O
MCULE-1380670662 1 C(O)(=O)[C@@H](C1CCCCC1)C
MolPort-038-086-301 1 OC(=O)CC12CCC(CC1)CC2
MCULE-6771932074 1 CC1(C(CC(O)=O)CCCC1)C
MolPort-003-926-191 1 OC(=O)CCCC1CCCCC1
MCULE-3920525824 1 C12(CC3CC(C)(CC(C3)(CC(O)=O)C1)C2)CC(O)=O
MolPort-036-381-391 1 OC1CCC2C(CCCC2C(O)=O)C1
MCULE-5819111297 1 CC1C(C)CC(C(=O)O)CC1
MolPort-003-710-298 1 CC12CC3CC(C)(C1)CC(CC(O)=O)(C3)C2
MCULE-3316441062 1 CC([C@H]1[C@@H](C(O)=O)CCCC1)(C)C
MolPort-003-181-794 1 OC(=O)CC1C2CC3CC(C2)CC1C3
MCULE-8769705518 1 OC(C1CC2C(CCCC2)CC1)=O
MolPort-001-790-903 1 OC(=O)CCC1CCCCC1
MCULE-2003543384 1 CC([C@@H]1CC[C@@H](C(O)=O)CC1)C
MolPort-001-794-415 1 CCC[C@H]1CC[C@@H](CC1)C(O)=O
MCULE-8033048504 1 [C@@H]1(C(O)=O)CC[C@@H]([C@@H]2CC[C@@H](CCC)CC2)CC1
MolPort-001-817-370 1 CC12CC3(C)CC(C)(C1)CC(CC(O)=O)(C2)C3
MCULE-5211895173 1 C(C1(CCC(C(=O)O)([H])CC1)[H])CC
MolPort-002-857-360 1 CCC1CCC(CC1)C(O)=O
MCULE-5593770209 1 CC(C(O)=O)CC1CCCCC1
MolPort-002-857-373 1 CCCCCCCCCCCC1CCC(CC(O)=O)CC1
MCULE-1014366537 1 CCC(C(O)=O)CC1CCCCC1
MolPort-002-857-412 1 CCCCCC1CCC(CC(O)=O)CC1
MCULE-6923742905 1 CCCC(C(O)=O)CC1CCCCC1
MolPort-002-857-420 1 CCCC1CCC(CC1)C(O)=O
MCULE-3225182334 1 CC1CCC(C(O)=O)CC1
MolPort-002-894-277 1 OC(=O)C1CC2CCC1CC2
MCULE-9093723065 1 C(O)(=O)C(C)CC1CCC(CC1)=O
MolPort-001-794-153 1 CC(C)(C)C1CCC(CC1)C(O)=O
MCULE-4167404807 1 CC1(CC(CC(O)=O)CCC1)C
MolPort-002-995-998 1 CC1CCC(CC1)C(O)=O
MCULE-1597122526 1 CC1(CC(C(O)=O)CCC1)C
MolPort-001-792-403 1 OC(=O)C(C1CCCCC1)C1CCCCC1
MCULE-2921898484 1 C(O)(=O)C(C)CC1CCC(CC1)O
MolPort-001-791-871 1 CC1CCCCC1C(O)=O
MCULE-4456637498 1 [C@@H]1(CC(O)=O)CC[C@@H](O)CC1
MolPort-001-791-803 1 C[C@H]1CC[C@@H](CC1)C(O)=O
MCULE-2378580674 1 C1(CCC(C(C)C1C)C)C(O)=O
MolPort-001-791-799 1 CC1CCCC(C1)C(O)=O
MCULE-1709216331 1 CC1CC(C(O)=O)CCC1
MolPort-001-791-780 1 CC1CCC(CC(O)=O)CC1
MCULE-8377291972 1 CC(C(O)=O)(C1CCCCC1)C
MolPort-001-791-144 1 OC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2
MCULE-1766913999 1 C1(C(=O)CCCCC(=O)O)CCCCC1
MolPort-046-687-522 1 CC(=O)C12CCC(CC1)(CC2)C(O)=O
MCULE-4205663789 1 C1(C(=O)CCCCCC(=O)O)CCCCC1
MolPort-002-485-349 1 OC(=O)C12CCC(CC1)CC2
MCULE-3460196722 1 C1(C(=O)CCCCCCC(=O)O)CCCCC1
MolPort-020-635-836 1 CCC1CCCCC1C(O)=O
MCULE-1629098629 1 C1(C)(CC(C)(C)CC(C)(C)C1)C(O)=O
MolPort-046-761-802 1 CC(C)C1CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)C1
MCULE-2193918964 1 C(O)(C1CCCCC1)=O
MolPort-046-774-887 1 CC(C)[C@@H]1CC[C@H](C)C[C@H]1C(O)=O
MCULE-9948640054 1 CC(C1CCC(CC(O)=O)CC1)(C)C
MolPort-000-142-038 1 CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O
MCULE-4436507458 1 OC(C1CC2CC(CCC2)C1)=O
MolPort-000-142-037 1 CC12CC3CC(C)(C1)CC(C3)(C2)C(O)=O
MCULE-3770906513 1 C1C(C(O)=O)CC(CC(=O)O)CC1
MolPort-026-932-402 1 CC1CCC(C)(CC1)C(O)=O
MCULE-1073323432 1 CC([C@H]1[C@H](C(O)=O)C[C@@H](C)CC1)C
MolPort-000-142-039 1 OC(=O)CCC12CC3CC(CC(C3)C1)C2
MCULE-4898217604 1 C1C[C@]2(C(CC[C@@](O)([C@@H]2CC[C@H](C)CC(O)=O)C)C(C1)(C)C)C
MolPort-008-604-172 1 CC1(CC(O)=O)CCCCC1
MCULE-5146752612 1 CC(C1CCCCC1)CC(O)=O
MolPort-000-142-041 1 CCC12CC3CC(C1)CC(C3)(C2)C(O)=O
MCULE-6857024600 1 C(O)(CCC1CCCCC1)=O
MolPort-021-174-337 1 CC1(C)CCC(CC1)C(O)=O
MCULE-4077940511 1 CC1(CCC(C(O)=O)CC1)C
MolPort-027-835-942 1 OC[C@H]1CC[C@@H](CC1)C(O)=O
MCULE-5045016279 1 CC1(CCC(CC(O)=O)CC1)C
MolPort-026-972-450 1 CC(C)(CC(O)=O)C1CCCCC1
MCULE-7238132549 1 CC1C(C)CC(CC(O)=O)CC1
MolPort-026-934-859 1 CC1(C)CCC(C)(CC1)C(O)=O
MCULE-3272652270 1 C(O)(=O)[C@H]1CC[C@@H](CC1)C
MolPort-025-800-750 1 CC(C(C)C(O)=O)C1CCCCC1
MCULE-1810436416 1 [C@H]1(CC[C@H](C(=O)O)CC1)C(=O)O
MolPort-006-117-790 1 CC(C)[C@H]1CC[C@H](CC1)C(O)=O
MCULE-9991813044 1 CC(C(C(O)=O)CC1CCCCC1)C
MolPort-000-146-197 1 CC1(CCCCC1)C(O)=O
MCULE-1314179629 1 C1(CCC([H])(CCC(=O)O)CC1)([H])CCCCC
MolPort-000-146-001 1 OC(=O)C12CC3CC(CC(C3)C1)C2
MCULE-6508170743 1 C12(CC3CC(CC(C)(C3)C1)(C)C2)CC(O)=O
MolPort-006-128-106 1 CC(C)C1CCC(C)CC1C(O)=O
MCULE-8802812247 1 C12(CCC(O)=O)CC3CC(CC(C3)C1)C2
MolPort-006-131-944 1 OC(=O)C1(CCCCC1)C1CCCCC1
MCULE-3132418894 1 C(O)(=O)C1CCC(CC1)CC
MolPort-021-223-670 1 CC1(C)CCCC(C1)C(O)=O
MCULE-5247114904 1 C(C1(CCC(C(=O)O)([H])CC1)[H])CCC
MolPort-006-384-991 1 OC(=O)CC12C[C@H]3C[C@@H](C1)CC(CC(O)=O)(C3)C2
MCULE-4312699925 1 C12(CCCC(O)=O)CC3CC(CC(C3)C1)C2
MolPort-028-747-692 1 CCCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C(O)=O
MCULE-1986710794 1 OC(CCC1(CCCCC1)CC(=O)O)=O
MolPort-021-223-272 1 CC1(C)CCCC(CC(O)=O)C1
MCULE-2405628373 1 C(C(=O)O)(C1CCCCC1)C1CCCCC1
MolPort-046-791-068 1 CC(C)(C)[C@@H]1CCC[C@@H](C1)C(O)=O
MCULE-5011757964 1 C(O)(CCC1CCC(CC1)O)=O
MolPort-021-173-413 1 CC1(C)CCC(CC(O)=O)CC1
MCULE-1820165363 1 CC12CC3CC(CC(C(O)=O)(C3)C1)C2
MolPort-000-142-047 1 OC(=O)CC12CC3CC(CC(C3)C1)C2
MCULE-3538648395 1 C12(CC3CC(C1)CC(C3)(C(C)C)C2)C(O)=O
MolPort-026-972-172 1 CC1(C)CCCCC1C(O)=O
MCULE-4893674199 1 C1C2CC3(CC1(C(O)=O)CC(C3)C2)C12CC3CC(C1)CC(C(=O)O)(C3)C2
MCULE-8165128301 1 C1(CCCC2CCCCC12)CC(O)=O
MCULE-6344080868 1 CC1(CC(C)(C)CC(C(=O)O)C1)C
MCULE-5242040138 1 C1(C)(C)C(C)CCCC1C(O)=O
MCULE-1310742640 1 CCC1(C(O)=O)CC(C)(C)CC(C)(C)C1
MCULE-4722956286 1 OC1CC2CC(CC(C(O)=O)C2)C1
MCULE-2981046026 1 O=C(O)[C@@H]1CC[C@H](C(C)(C)C)CC1
MCULE-1194509366 1 O=C(O)[C@@H]1CC[C@@H](CCCCCC)CC1
MCULE-3305682191 1 C(O)(=O)C1CCCCC1C
MCULE-6060000384 1 CCC12CC3CC(CC(C(O)=O)(C3)C1)C2
MCULE-7501029485 1 C1(C)(CCC(C(C)C1)(C)C)C(O)=O
MCULE-9504841371 1 [C@@H]1(C(O)=O)CC[C@@H](C(O)=O)CC1
MCULE-6704761278 1 C12(CC3CC4C1CC1CC4C(C3)C2C1)CC(O)=O
MCULE-1119558179 1 C12(CC3CC(CC(C)(C3)C1)C2)CC(O)=O
MCULE-3832330672 1 CCCC[C@@H]1CC[C@@H](C(=O)O)CC1
MCULE-5805639266 1 C1(CCC(O)=O)CCC(=O)CC1
MCULE-8249292238 1 C(CCCC1CCCCC1)(O)=O
MCULE-8924560333 1 C1(CCCCC1)(C(C)C)C(O)=O
MCULE-9400993446 1 CC([C@@H]1CC[C@@H](C(=O)O)CC1)(C)C
MCULE-5144645498 1 CC(C(O)=O)(CC1C2CCC(CC2)C1)C
MCULE-5678408450 1 O=C(O)[C@@H]1CC[C@@H](CO)CC1
MCULE-4006792071 1 CCCCC[C@@H]1CC[C@@H](C(=O)O)CC1
MCULE-5185886916 1 CC(C(O)=O)CC1C2CCC(CC2)C1
MCULE-7150660975 1 C(O)(=O)C[C@@H]1CC[C@H](O)CC1
MCULE-9651818545 1 [C@@H]1(C(O)=O)C[C@H](C)CC[C@H]1C(C)C
MCULE-5059235697 1 CC(C1CCC(C(O)=O)CC1)(C)C
MCULE-5359978773 1 OC(C1CCC(C(O)=O)CC1)=O
MCULE-3370925166 1 C(O)(CC1CCCCC1)=O
MCULE-4520689398 1 C1C(CCCCCCC)CCC(C(=O)O)C1
MCULE-8234406278 1 [C@@H]1(C(O)=O)C[C@H](C)CC[C@H]1C(C)C
MCULE-1888169131 1 OC(CCC1C2CC3CC(C2)CC1C3)=O
MCULE-8761669340 1 C1(CC2CCCC(C2C)C1)C(O)=O
MCULE-3684801033 1 OC(CCC1C2CCC(CC2)C1)=O
MCULE-2075917209 1 OC(C1C2C(CCCC2)CCC1)=O
MCULE-8617368211 1 C(O)(=O)C1(CCCCC1)C
MCULE-3818372379 1 C(O)(C1CC2CCC1CC2)=O
MCULE-2666755015 1 C12(CC3CC4C1CC1CC2C(C3)C4(C1)C(O)=O)C(O)=O
MCULE-7809780622 1 CCC[C@@H]1CC[C@@H](C(=O)O)CC1
MCULE-5936435361 1 C1(CCCCC1CCCCCCCCCCC(O)=O)=O
MCULE-3864039662 1 C12(CC3CC4C1CC1CC4C(C3)C2C1)C(O)=O
MCULE-2639990914 1 CC(C(O)=O)(C1CCC(O)CC1)C
MCULE-5840393222 1 CCC(C(O)=O)C1CCC(C)CC1
MCULE-6397227892 1 OC(C1C2CC3CC(C2)CC1C3)=O
MolPort-016-583-154 1 OC(=O)CC1CCC(=O)CC1
MolPort-035-680-487 1 CCCC1CCC(CC1)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-003-983-918 1 OC(=O)[C@H]1CC[C@H](CC1)C(O)=O
MolPort-003-983-949 1 CC(C)C1(CCCCC1)C(O)=O
MolPort-001-740-353 1 C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-003-984-512 1 CC[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-003-984-513 1 CCCC[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-657-805 1 C[C@@H](C(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-046-657-807 1 C[C@H](CCC1CCCCC1)C(O)=O
MolPort-003-984-514 1 CC(C)(C)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-003-984-515 1 CCCCC[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-658-573 1 C[C@@H](C(O)=O)C1(C)CCCCC1
MolPort-046-658-575 1 C[C@H](C1C2CC3CC(C2)CC1C3)C(O)=O
MolPort-046-658-706 1 C[C@@H](C1C2CC3CC(C2)CC1C3)C(O)=O
MolPort-046-658-709 1 C[C@@H](C1CCC(CC1)C(C)(C)C)C(O)=O
MolPort-046-658-714 1 C[C@@H](C1CCCCC1(C)C)C(O)=O
MolPort-046-658-715 1 C[C@@H](C1CCC(C)(C)CC1)C(O)=O
MolPort-003-983-917 1 OC(=O)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-657-176 1 C[C@H](C1CC(C)CC(C)(C)C1)C(O)=O
MolPort-021-512-665 1 CC1CC(C)CC(C1)C(O)=O
MolPort-003-943-242 1 CC(C)(C)C1CCC(CC(O)=O)CC1
MolPort-046-651-318 1 CCC(C)(C)C1CCC(CC1)[C@@H](C)C(O)=O
MolPort-046-651-336 1 C[C@H](C(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-035-931-094 1 OC(=O)CCC1CCC(=O)CC1
MolPort-019-906-239 1 OC1CCC(CC(O)=O)CC1
MolPort-035-880-396 1 CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-651-909 1 C[C@@H](C1CCCCC1C)C(O)=O
MolPort-035-785-358 1 OC[C@H]1CC[C@H](CC1)C(O)=O
MolPort-035-785-158 1 CC(C)(C)[C@@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-652-242 1 CCC(C)(C)C1CCC(CC1)[C@H](C)C(O)=O
MolPort-046-653-356 1 C[C@H](C(O)=O)C1(C)CCCCC1
MolPort-046-651-589 0.95 C[C@@H](C1CC2CCC1C2)C(O)=O
MolPort-000-891-032 0.95 OC(=O)CC1CC2CCC1C2
MolPort-002-524-772 0.95 C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-142-147 0.95 CC1(C)C2CCC1(CC(O)=O)CC2
MolPort-042-624-045 0.95 CC(CCC(O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC(=O)[C@]12C
MolPort-020-173-001 0.95 OC(=O)C1CCC2(CC2)CC1
MolPort-029-758-839 0.95 OC(=O)C1CCCCC11CCC1
MolPort-002-903-998 0.95 C[C@H](CCC(O)=O)C1CC[C@H]2C3CCC4C[C@H](O)CCC4(C)C3C[C@H](O)C12C
MolPort-006-395-474 0.95 C[C@H](CC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-044-558-747 0.95 OC(=O)C12CC(C1)CCC2
MolPort-003-928-182 0.95 [Ag+].[O-]C(=O)CCCC1CCCCC1
MolPort-013-566-466 0.95 OC(=O)C1CC1C1CCCCC1
MolPort-002-507-414 0.95 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-046-672-482 0.95 OC(=O)C12CC(C1)(C2)C1CCCCC1
MolPort-022-370-946 0.95 OC(=O)C12CCCC1CCCC2
MolPort-029-511-488 0.95 OC(=O)C12CCC1CC2
MolPort-029-508-537 0.95 OC(=O)C1CCCC2(CC2)C1
MolPort-002-525-553 0.95 C[C@]12CCC3[C@@H](CCC4C[C@H](O)CC[C@]34C)C1CC[C@@H]2C(O)=O
MolPort-019-993-410 0.95 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-022-154-752 0.95 OC(=O)C1(CC1)C1CCCCC1
MolPort-001-794-648 0.95 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-023-921-314 0.95 OC(=O)C1CCCCC1C1CC1
MolPort-001-822-150 0.95 CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(=O)C12C
MolPort-042-683-724 0.95 OC(=O)C1CCC(CC1)C1CC1
MolPort-035-748-574 0.95 OC(=O)C1CC2(C1)CCC(=O)CC2
MolPort-003-940-788 0.95 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-766-594 0.95 CC1C2CCC(C2)C1C(O)=O
MolPort-046-657-806 0.95 C[C@H](C1CC2CCC1C2)C(O)=O
MolPort-042-683-185 0.95 OC(=O)C12CCC(CC1)CCC2
MolPort-013-430-050 0.95 OC(=O)C1(CC2CCCC2)CCCCC1
MolPort-006-126-491 0.95 CC1(CC2CCC1C2)C(O)=O
MolPort-046-761-801 0.95 [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])C1([2H])O)[C@H](C)CCC(O)=O
MolPort-044-181-961 0.95 OC(=O)C12CCC(CC1)(CCC2)C(O)=O
MolPort-002-054-919 0.95 OC(=O)C12C3C4C1C1C2C3C41C(O)=O
MolPort-021-999-635 0.95 OC(=O)C1CCCC2(CCC2)C1
MolPort-002-798-441 0.95 CCCC12C3C4C1C1C2C3C41C(O)=O
MolPort-001-623-618 0.95 OC(=O)C1CC2CCC1C2
MolPort-001-762-618 0.95 OC(=O)C12CCC(CC1)C2
MolPort-044-182-021 0.95 OC(=O)CC12CCC(CC1)C2
MolPort-020-173-008 0.95 OC(=O)C1CCC2(CCCC2)CC1
MolPort-044-182-145 0.95 OC(=O)CC12[C@H]3[C@@H]4C5C([C@H]14)[C@@H]2[C@@H]35
MolPort-027-464-230 0.95 CC1CCC(CC1)C1CC1C(O)=O
MolPort-044-561-767 0.95 [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
MolPort-004-768-945 0.95 OC(=O)C12C3C4C5C3C1C5C24
MolPort-020-173-006 0.95 OC(=O)C1CCC2(CCC2)CC1
MolPort-044-561-762 0.95 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
MolPort-046-164-621 0.95 OCC12C3C4C1C1C2C3C41C(O)=O
MolPort-006-111-381 0.95 CC1(C)C2CCC(C2)C1C(O)=O
MolPort-003-713-189 0.95 OC(=O)C12CC3CC(C1)CCC(C3)C2
MolPort-028-950-064 0.95 OC(=O)C12CCCC1C1CCC2C1
MolPort-002-317-309 0.95 CC1(C)C2CCC1(CC2)C(O)=O
MolPort-026-544-907 0.95 OC(=O)C1CC2(C1)CCCCC2
MolPort-044-730-143 0.95 OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12
MolPort-046-691-254 0.95 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
MolPort-046-639-367 0.95 OC1CC2(C1)CCC(CC2)C(O)=O
MolPort-013-638-385 0.95 CCC(C)(C)C1CCC2(CC2C(O)=O)CC1
MolPort-022-465-963 0.95 OC(=O)C1CCCCC11CC1
MolPort-046-592-679 0.95 OC(=O)C1[C@H]2CC[C@@H]1CC2
MolPort-046-690-727 0.95 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-029-008-318 0.95 OC(=O)C1CC11CCC(=O)CC1
MolPort-046-675-860 0.95 OC(=O)CCC12CCC(CC1)C2
MolPort-046-689-286 0.95 [2H]C1([2H])C[C@]2(C)C3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4C3CC[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(O)=O
MolPort-025-499-226 0.95 CC1CCC(CC1)C1(CC1)C(O)=O
MolPort-042-604-561 0.95 OC(=O)[C@H]1CC[C@@H](CC1)C1CCC1
MolPort-003-893-187 0.95 CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
MolPort-044-876-006 0.95 CC1(C)[C@H]2CC[C@@]1(CC2)C(O)=O
MolPort-022-366-442 0.95 OC(=O)C1C2CCC1CC2
MolPort-001-790-625 0.95 CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
MolPort-029-498-503 0.95 OC(=O)CC1CCC2(CCCC2)CC1
MolPort-046-647-723 0.95 OC(=O)C1CCC2(CC(=O)C2)CC1
MolPort-002-502-010 0.95 [Ba++].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1
MolPort-008-751-223 0.95 OC(=O)C1CC11CCCCC1
MolPort-001-787-731 0.95 OC(=O)CCCCCCCCCCCCC(O)=O
MolPort-039-337-781 0.95 CC(CCC(C(C)CC(C)(C)C)C(O)=O)CC(C)(C)C
MolPort-035-776-725 0.95 CCCC[C@H](CC)C(O)=O
MolPort-003-929-716 0.95 OC(=O)CCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-019-904-797 0.95 CCC(C)(C)CCCC(O)=O
MolPort-003-929-466 0.95 CCCCCCC[13C](O)=O
MolPort-003-912-186 0.95 CCCCCCCCCCCCCCCCC(C)C(O)=O
MolPort-013-430-418 0.95 CCCCCCC(C)(CC)C(O)=O
MolPort-001-770-014 0.95 OC(=O)CCCCCC(O)=O
MolPort-014-156-929 0.95 CCCCC(CC)CC(O)=O
MolPort-019-905-153 0.95 OC(=O)CCCCCCCCCCCCCCCCCC(O)=O
MolPort-013-430-420 0.95 CCCCCC(C)(CC)C(O)=O
MolPort-042-683-484 0.95 CC(CCC(O)=O)CC(C)=O
MolPort-006-115-210 0.95 CCCCCC(CC)C(O)=O
MolPort-003-920-965 0.95 CCCCCCCCC(C)CC(O)=O
MolPort-003-928-016 0.95 CCCCCCC(O)CCCCCCCCCCC(O)=O
MolPort-001-792-057 0.95 CCCCCCCC(O)=O
MolPort-003-920-967 0.95 CCCCCCC(C)CC(O)=O
MolPort-023-221-761 0.95 [NH4+].[NH4+].[O-]C(=O)CCCCCCCCC([O-])=O
MolPort-003-921-355 0.95 CC(O)CCCCCCCC(O)=O
MolPort-003-927-214 0.95 OCCCCCCCCCCCCCCCC(O)=O
MolPort-001-792-027 0.95 OCCCCCCCCCCCC(O)=O
MolPort-023-232-838 0.95 CC(CCCCC(O)=O)C(C)=O
MolPort-003-926-154 0.95 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-001-792-028 0.95 CCCCCCCCCCCCCCC(O)=O
MolPort-001-792-721 0.95 CC(C)(C)CCCCCC(O)=O
MolPort-001-768-891 0.95 CC(=O)CCCCC(O)=O
MolPort-003-935-581 0.95 CCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-001-779-744 0.95 CCCCCCCCCCCCCC(O)=O
MolPort-001-780-047 0.95 CCCCCCCCCCCCC(O)=O
MolPort-003-935-064 0.95 CCCC[13CH2][13CH2][13CH2][13C](O)=O
MolPort-001-780-041 0.95 CCCCCCC(O)=O
MolPort-019-904-287 0.95 OC(=O)CCCCCCCCCCCCCCCC(O)=O
MolPort-027-641-515 0.95 CCC(C)CCCCCCCCCCCCCCCCC(O)=O
MolPort-003-934-553 0.95 [2H]C([2H])([2H])CCCCCCCCCCC(O)=O
MolPort-003-895-996 0.95 CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-003-933-841 0.95 CCCCCCCCC(CCCCCC)C(O)=O
MolPort-001-794-385 0.95 CCCCC(CC)C(O)=O
MolPort-003-933-167 0.95 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
MolPort-013-430-297 0.95 CCCCCCC(CC)(CC)C(O)=O
MolPort-003-901-043 0.95 CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-003-931-064 0.95 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
MolPort-042-663-534 0.95 CCCCC(CCCCCC(O)=O)C(O)=O
MolPort-023-221-411 0.95 CCCCC(CC)CC(CCCCCCCC([O-])=O)(CC(CC)CCCC)C([O-])=O
MolPort-001-779-873 0.95 OC(=O)CCCCCCCC(O)=O
MolPort-003-930-428 0.95 N.OC(=O)CCCCCCCCCCC(O)=O
MolPort-046-763-116 0.95 CCCC(O)CCCCCCCCCC(O)=O
MolPort-002-894-356 0.95 CC(C)(C)CCCCCCCCCCCC(O)=O
MolPort-002-894-357 0.95 CC(C)(CCCCC(C)(C)C(O)=O)C(O)=O
MolPort-003-910-345 0.95 CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-042-684-158 0.95 CC(CCC(C)=O)CC(O)=O
MolPort-001-787-590 0.95 CC(=O)CCCCCCCCC(O)=O
MolPort-028-747-874 0.95 CCCCCCCCC(O)CCCCCCCCC(O)=O
MolPort-012-193-964 0.95 CCCCC(CCC)C(O)=O
MolPort-000-157-221 0.95 CCCCCC(C)C(O)=O
MolPort-000-715-762 0.95 CCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-012-194-007 0.95 CCCCC(C(C)C)C(O)=O
MolPort-046-686-711 0.95 CCCCCCCCC(CCCCCC)CC(O)=O
MolPort-006-117-131 0.95 CC(C)CCCC(C)CC(O)=O
MolPort-012-194-012 0.95 CCCCCC(C(C)C)C(O)=O
MolPort-046-782-722 0.95 OCCCCCCCCCCCCCCCCCC(O)=O
MolPort-002-534-221 0.95 CCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-019-993-894 0.95 CC(O)CCCCCC(O)=O
MolPort-002-501-684 0.95 CCCCCC(CCCCC)C(O)=O
MolPort-002-344-013 0.95 CC(C)CCCCC(O)=O
MolPort-001-011-599 0.95 OCCCCCCCCCCCCCCCCC(O)=O
MolPort-009-756-493 0.95 OC(=O)CCCCCCCCCCCCCCCCCCC(O)=O
MolPort-014-559-197 0.95 OC(=O)C1CCCCCCC1
MolPort-000-157-367 0.95 CCCCC(C)CCC(O)=O
MolPort-012-193-967 0.95 CCCCCC(CCC)C(O)=O
MolPort-004-948-084 0.95 CCCCCCCCCCCCCC(C)C(O)=O
MolPort-006-022-397 0.95 CCCC(CCC)CC(O)=O
MolPort-002-317-291 0.95 CCCCCCCCCCCCCCCCCC(O)=O
MolPort-046-691-438 0.95 [2H]C([2H])(CCCC([2H])([2H])C(O)=O)C(O)=O
MolPort-046-691-394 0.95 [2H]C([2H])(CCCCCCCCCCCCC)C([2H])([2H])CCCCCCCCCCC(O)=O
MolPort-002-509-406 0.95 CCCC(C)CCCCCC(O)=O
MolPort-028-747-089 0.95 CC(C)CCCCCCCC(O)=O
MolPort-000-154-854 0.95 CCCCCCCC(C)(C)C(O)=O
MolPort-011-783-872 0.95 CCCCCCCCCCCCC(C)(C)C(O)=O
MolPort-004-963-595 0.95 CC(C)(CCCC(C)(C)C(O)=O)C(O)=O
MolPort-020-168-302 0.95 CCCCCC(C)CC(O)=O
MolPort-002-497-880 0.95 OCCCCCCC(O)=O
MolPort-006-120-481 0.95 CCCCCCCCCC(C)CC(O)=O
MolPort-000-881-069 0.95 CCCCCCCCCCC(O)=O
MolPort-000-881-522 0.95 CCCCCCCCC(O)=O
MolPort-000-881-523 0.95 CCCCCCCCCC(O)=O
MolPort-000-881-524 0.95 CCCCCCCCCCCC(O)=O
MolPort-000-881-873 0.95 CCCCCCCCC(=O)CCCCCCCCC(O)=O
MolPort-004-765-923 0.95 OCC1CCC(CC1)C=O
MolPort-023-314-031 0.95 CC(=O)CCCCCCC(O)=O
MolPort-002-487-293 0.95 CCCCCCCCCCC(C)(C)C(O)=O
MolPort-018-567-856 0.95 CCCCCCCCCCCC(=O)CCCCCC(O)=O
MolPort-001-740-735 0.95 OC(=O)CCCCCCCCCCCCCCC(O)=O
MolPort-003-803-875 0.95 CC(CCCCCC(C)C(O)=O)C(O)=O
MolPort-006-114-873 0.95 CCCCCCC(C)C(O)=O
MolPort-006-149-173 0.95 CC(C)CCCCCC(O)=O
MolPort-000-156-417 0.95 OCCCCCCCCCCC(O)=O
MolPort-046-692-221 0.95 CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(O)=O
MolPort-003-960-176 0.95 CCCCC(CC)CCC(O)=O
MolPort-045-967-915 0.95 CCCCCCCCCCCCC(O)CCCCC(O)=O
MolPort-035-681-547 0.95 OCCCCCCCCCCCCCC(O)=O
MolPort-046-792-993 0.95 [2H]C([2H])(CCCCC([2H])([2H])C(O)=O)C(O)=O
MolPort-046-657-319 0.95 CCC(C)(C)CC[C@H](C)C(O)=O
MolPort-046-657-318 0.95 C[C@@H](CCCC(C)(C)C)C(O)=O
MolPort-046-657-199 0.95 CCC(C)(C)CC[C@@H](C)C(O)=O
MolPort-046-657-198 0.95 C[C@H](CCCC(C)(C)C)C(O)=O
MolPort-003-960-141 0.95 CCCCCC(C)CCC(O)=O
MolPort-020-915-673 0.95 CCCC(C)CCCC(O)=O
MolPort-002-485-414 0.95 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-006-125-155 0.95 CCC(C)(CCC(C)C)C(O)=O
MolPort-045-999-014 0.95 CCCCCCCC(C)CC(C)CC(O)=O
MolPort-001-740-038 0.95 CC(C)CCCCCCCCCCC(O)=O
MolPort-046-690-068 0.95 CC(O)CCCCCCCCCC(O)=O
MolPort-000-156-366 0.95 OCCCCCCCC(O)=O
MolPort-009-018-854 0.95 CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
MolPort-003-990-752 0.95 OCCCCCCCCC(O)=O
MolPort-013-429-760 0.95 CCCCCC(C)(C)C(O)=O
MolPort-026-972-191 0.95 CC(C1CCCCCCC1)C(O)=O
MolPort-006-125-212 0.95 CCCCCCCCCCCCCCC(C)C(O)=O
MolPort-026-972-296 0.95 CC1(CCCCCCC1)C(O)=O
MolPort-046-689-476 0.95 CCCCCCCCCCCCC(CCCCCCCCCCCC)C(O)=O
MolPort-006-124-552 0.95 CCCCCCC(CC)C(O)=O
MolPort-006-124-305 0.95 CCCCCCCCC(C)C(O)=O
MolPort-028-765-421 0.95 CCC(C)CCCCC(O)=O
MolPort-001-760-610 0.95 OCCCCCCCCCC(O)=O
MolPort-003-937-692 0.95 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O
MolPort-003-850-286 0.95 CCCCCCCCCCCCCCCCC[13C](O)=O
MolPort-039-032-958 0.95 CCCCCCCCCCCCCCCCCCC(C)C(O)=O
MolPort-039-138-698 0.95 N.N.OC(=O)CCCCCCCCCCC(O)=O
MolPort-001-760-787 0.95 OCCCCCCCCCCCCCCC(O)=O
MolPort-001-787-766 0.95 OC(=O)CCCCCCCCCCCC(O)=O
MolPort-001-781-906 0.95 OC(=O)CCCCCCCCCC(O)=O
MolPort-003-935-603 0.95 CCCCCCCCCCCCCCCCC(O)=O
MolPort-001-780-241 0.95 CCCCCCCCCCCCCCCC(O)=O
MolPort-001-794-434 0.95 CC(=O)CCCCCC(O)=O
MolPort-035-776-724 0.95 CCCC[C@@H](CC)C(O)=O
MolPort-001-780-112 0.95 CCCCCCCCCCCCCCCCCCC(O)=O
MolPort-001-790-486 0.95 CC(C)(C)CCCCC(O)=O
MolPort-042-682-633 0.95 CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O
MolPort-002-915-642 0.95 OC(=O)CCC1CCCCCCCCCCC1
MolPort-001-783-819 0.95 OC(=O)CCCCCCCCC(O)=O
MolPort-001-783-882 0.95 OC(=O)CCCCCCCC=O
MolPort-003-958-957 0.95 CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-046-761-361 0.95 [2H]C([2H])(CCCCC)C([2H])(O)C([2H])([2H])CCCCCCCCCC(O)=O
MolPort-003-958-813 0.95 CC(C)CCCCCCCCCCCCC(O)=O
MolPort-003-958-795 0.95 CC(C)CCCCCCCCCCCCCCC(O)=O
MolPort-003-803-876 0.95 CC(CCCCCCC(C)C(O)=O)C(O)=O
MolPort-006-170-075 0.95 CCCCCC[C@@H](CCC)C(O)=O
MolPort-003-803-877 0.95 CC(CCCCCCCCC(C)C(O)=O)C(O)=O
MolPort-009-199-301 0.95 OC(=O)CCCCCCCCCCCCCC(O)=O
MolPort-039-052-640 0.95 C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
MolPort-001-783-903 0.95 OC(=O)CCCCCCCCCCCCCCCCC(O)=O
MolPort-046-196-397 0.95 CCCCCC[C@H](CCC)C(O)=O
MolPort-003-803-878 0.95 CC(CCCCCCCCCCC(C)C(O)=O)C(O)=O
MolPort-013-430-154 0.95 CCCCCCC(C)(CCC)C(O)=O
MolPort-003-939-689 0.95 CCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-003-939-501 0.95 CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-001-759-311 0.95 OC(=O)CCCCCCC(O)=O
MolPort-003-802-306 0.95 CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(O)=O
MolPort-001-780-107 0.95 CC(=O)CCCCCCCC(O)=O
MolPort-001-783-887 0.95 OC(=O)CCCCCCCCCCC(O)=O
MolPort-003-824-975 0.95 OCCC1CCC(=O)CC1
MolPort-013-430-257 0.95 CCCCC(CC)(CC)C(O)=O
MCULE-8429241976 0.95 C12(C)CC(C(O)=O)C(CC1)C2(C)C
MCULE-2592304646 0.95 C(C(CCCCCC(=O)O)=O)CC
MCULE-3463709825 0.95 C(CCCC)C(=O)CCCCCC(=O)O
MCULE-4790339661 0.95 C(O)(=O)CC[C@@H](C)CCCC
MCULE-9827668199 0.95 C(CCCC)C(CCCCC(=O)O)=O
MCULE-7572073631 0.95 C(O)(=O)C(CC)(CC)CCCC
MCULE-6787345030 0.95 OCCCCCCCCCCCCCCCCC(=O)O
MCULE-4787616333 0.95 C(CCCCCCCCCCC(CCCC)O)(O)=O
MCULE-3942492343 0.95 C(C(CCCCCC(=O)O)=O)(C)C
MCULE-1976551743 0.95 C(CCCCCC)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
MCULE-6960063747 0.95 C(CCCC)C(=O)CCCCCCC(=O)O
MCULE-8172997568 0.95 C(C)(C)C(CCCCC(=O)O)=O
MCULE-3207729356 0.95 C(=O)(C)CCCCCCCCC(=O)O
MCULE-8623857142 0.95 C(CC)C(CCCCC(=O)O)=O
MCULE-7655272143 0.95 C(CC)C(CCCCCCC(=O)O)=O
MCULE-9357391090 0.95 C(CCCCCCCCCCCCCCCC)(O)=O
MCULE-4060617838 0.95 C(O)(CCC(C)CCCC(C)C)=O
MCULE-5435336580 0.95 C(CCCC)(C(=O)O)CCCC
MCULE-1513008382 0.95 C(CCCCCCCCCCCCCC(=O)O)CCCCC(=O)O
MCULE-4736597375 0.95 CCCCCCCCC(O)=O
MCULE-7307915460 0.95 C(O)(CCC(C)CC(C)(C)C)=O
MCULE-6642298773 0.95 C(CCCCCCCC(O)=O)CCCCCCCCCCCCCCCCC
MCULE-3914949169 0.95 CCCCCCCCCC(O)=O
MCULE-2795129925 0.95 CCCCCCCCCCCC(O)=O
MCULE-4048515589 0.95 C(CCCCCCCCC(CCCCCC(O)=O)=O)(O)=O
MCULE-3088988040 0.95 C(O)(C(C)CCCCCCCCCCCC)=O
MCULE-5193957469 0.95 CCCCCCCC(O)=O
MCULE-6453713560 0.95 C(O)(C(CCCC)CCC)=O
MCULE-9191627113 0.95 C(CCCCCCC)C(C)CCC(=O)O
MCULE-1366505263 0.95 CCCCCCC(C(O)=O)(CC)C
MCULE-3886990507 0.95 C(CCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCC
MCULE-7886858957 0.95 C(C)(C(CCCCCCC(=O)O)=O)C
MCULE-6534484335 0.95 C(C(C(=O)O)CC)CCCCCCCCCCCCCCC
MCULE-5276664308 0.95 C(C(C(=O)O)CCC)CCCCCCCCCCCCCCC
MCULE-7480769244 0.95 CCCCCCC(C(O)=O)(CC)CC
MCULE-4303741112 0.95 C(=O)(CCCCCCC(=O)O)CCCCCC(=O)O
MCULE-7351642049 0.95 C(C(=O)CCCCC)CCCCCCCCCCC(=O)O
MCULE-6191845705 0.95 C(=O)(CC)CCCCCCCCCCCC(=O)O
MCULE-9122814153 0.95 CCCCCCC(C(O)=O)(CCC)C
MCULE-3550915515 0.95 C(C(C(=O)O)CCCC)CCCCCCCCCCCCCCC
MCULE-8631552684 0.95 C(C)(CC)(CCCC)C(=O)O
MCULE-9255156956 0.95 C(O)(C(C)CCCCCCCCCC)=O
MCULE-6422028108 0.95 C1C2(CCC(O)CC2)CCC(=O)C1
MCULE-5539838856 0.95 C(C(CC(=O)O)C)CCCCCCCCCCCCCC
MCULE-8259958688 0.95 C(C)(C)CCCCCCCCCC(=O)O
MCULE-2717280848 0.95 C(O)(=O)C(C)(C)CCCC(C)(C)C(O)=O
MCULE-3907306935 0.95 C(O)(=O)C(CCC)CCCCC(O)=O
MCULE-9106518461 0.95 C(CCCCC(O)=O)(CCCCCCCCCCCCCCCCC)=O
MCULE-1735950995 0.95 C(CCCCCCCCCCCC(CCCCCCCCCCC(CCCCCCCCCCCCCCCC)O)=O)(O)=O
MCULE-3587613382 0.95 OC(CCCCCCCCCC(=O)O)=O
MCULE-5055484783 0.95 C(CCCCCCC)C(C)C(=O)O
MCULE-3771681317 0.95 C(O)(=O)CCCCCCCCCO
MCULE-1512003484 0.95 C(=O)(O)CCCCCCCCCCCCCCC(O)=O
MCULE-6934503036 0.95 CC(CCCCCC(O)=O)C
MCULE-9813732292 0.95 CCCC(CCCC(O)=O)C
MCULE-6337534436 0.95 OC(CCCCCCCCCCCCCCCCCC(=O)O)=O
MCULE-5909088545 0.95 CCCCCC(C(O)=O)(CC)C
MCULE-3397559485 0.95 C(C(=O)O)(CCCCCC)CCCCCCCC
MCULE-5703679612 0.95 C(CCCCCC)C(C)(C)C(=O)O
MCULE-6923368995 0.95 CC1(C(O)=O)CCCCCCC1
MCULE-9301579624 0.95 C(CC(C)C(=O)O)CCCCCCCCCCCC
MCULE-3817725210 0.95 C(C(=O)O)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
MCULE-5847460862 0.95 OC(=O)CCCCCCCCC(=O)O.OCCCCCCO
MCULE-6121514710 0.95 C(O)(=O)CCCCCCCCO
MCULE-6390414263 0.95 CC(CCCCCCC(O)=O)=O
MCULE-3086618486 0.95 C(CCCCCCCCCCCO)C(=O)O
MCULE-3769146629 0.95 C(CCCCCCCCCCCC(CCCCCCCCCCCCCCC)=O)(O)=O
MCULE-9671122893 0.95 CCCCCCCCCCCCCC(=O)O
MCULE-6776936355 0.95 C(CCCCCCCCCCCO)(O)=O
MCULE-6954381114 0.95 C(CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(O)=O)(O)=O
MCULE-8200495932 0.95 C(C)(CC)CCCCCCCCCCCCC(=O)O
MCULE-5322388227 0.95 C(C(=O)O)(CCCC)CCCCCC
MCULE-6010456842 0.95 OC(CCCCCCCCCCCCCCCC(=O)O)=O
MCULE-8555526333 0.95 C(CCCCCC(O)=O)(CCCCCCCCCCCCCCCCC)=O
MCULE-5497849862 0.95 C(C(=O)O)(CCCCCC)CCCCCC
MCULE-9180879585 0.95 C(CCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC(O)=O)=O)=O)(O)=O
MCULE-3157606515 0.95 C(CCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCC(=O)O
MCULE-2945357825 0.95 C(CCCCCCCCCCCC(CCCCCCC(CCCCCCCCCCCC(O)=O)=O)=O)(O)=O
MCULE-3151935797 0.95 C(CCCCCCCCCCC(=O)O)C(=O)CCCCCCCCCCCCCCCCC
MCULE-4637509445 0.95 C(=O)(CCCCCCCCCCC)CCCCCCCCCCCC(=O)O
MCULE-7016988868 0.95 CC(C(C)=O)CCCCC(O)=O
MCULE-8780750351 0.95 C(CCCCCCCCCCCCCCCCCCCCCCCO)(=O)O
MCULE-2098828387 0.95 C(CCCCCCCCCCCCCCCCC(O)=O)(O)=O
MCULE-1489137568 0.95 C(CCCCCC)(O)=O
MCULE-9603867941 0.95 C(CCCCC(=O)O)CCCCCCCCCO
MCULE-9081502044 0.95 C(CCCCC(CCCCCCCCCC)=O)(O)=O
MCULE-5577030984 0.95 C1C[C@@]2([H])[C@]3(C)CC[C@@]4(C)[C@]5([H])C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@H](C)C1=O
MCULE-6422981718 0.95 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-8941673168 0.95 CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-2797848894 0.95 C1(CCCCCCCCCCC1)CCC(=O)O
MCULE-7100044750 0.95 C(C)(C)(CCCCC(C)(C)C(=O)O)C(=O)O
MCULE-9187669622 0.95 CCCCCCCCCCCCCCCCC(C)C(=O)O
MCULE-7728669545 0.95 CCCCCC(C(O)=O)(C)C
MCULE-2529831580 0.95 C(C)(C)(C)CCCCCCCCCCCC(=O)O
MCULE-4093240509 0.95 C(CCCCCCCC(O)=O)(O)=O
MCULE-7546735332 0.95 CCCCCCCCCCCC(=O)CCCCCC(=O)O
MCULE-8431505935 0.95 CCCCCCCCC(CCCCCCCCC(=O)O)O
MCULE-5299092348 0.95 C(=O)(C)CCCCCCCC(=O)O
MCULE-9552597130 0.95 CC(CCCCC(=O)O)C
MCULE-2753582455 0.95 C(O)(C)CCCCCCCC(=O)O
MCULE-4147611614 0.95 C(=O)(O)CCCCCCCCCCCCC(=O)O
MCULE-5388440569 0.95 [H]C12CC(O)CCC1(C)C1CCC3(C)C(CCCC3C1CC2)=O
MCULE-5601308035 0.95 C(CCCCCCCCCCCCCCCO)(O)=O
MCULE-3085282351 0.95 C(O)([C@@H](CCCCCC)CCC)=O
MCULE-5437143540 0.95 C(O)(C(CCCCCCCCCCC(O)=O)CC)=O
MCULE-6036635794 0.95 C(O)(=O)C(C(C)C)CCC(C)C(O)=O
MCULE-1878585748 0.95 C1(CCCCC1CCCCCCCCCCCO)=O
MCULE-5870660535 0.95 C(CCCCCCCCCCC(CCCCC(O)=O)=O)(O)=O
MCULE-4716241218 0.95 CCC(C(O)=O)(CCC(C)C)C
MCULE-4708388805 0.95 C(CCCCC(CCCCCCCCCCCO)=O)(O)=O
MCULE-7861617656 0.95 C(O)(C(CCCCCCC)CCCC(O)=O)=O
MCULE-4312256740 0.95 C(O)(C(CCCCCCCC)CCCCCCCCCCC(O)=O)=O
MCULE-3378566421 0.95 C(O)(C(CCCCCCCC)CCCCCCCC)=O
MCULE-3254150931 0.95 C(O)(C(C)CCCCCCCCCCCCC)=O
MCULE-7270362706 0.95 OCCCCCCC(=O)O
MCULE-6667030670 0.95 C(CCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-5686478683 0.95 C(CCC)C(CC)C(=O)O
MCULE-5900954615 0.95 C(CCCCC(CCCCC(C)=O)=O)(O)=O
MCULE-6938770128 0.95 C(CCCCCC(CCCCCCCCC(CCCCCC(O)=O)=O)=O)(O)=O
MCULE-7436631442 0.95 CCCCCCCCCCC(C(O)=O)(C)C
MCULE-6374843300 0.95 C(O)(C1CCCCCCCCCC1)=O
MCULE-8250703770 0.95 C(=O)(CCCCCC(=O)O)CCCCCC(=O)O
MCULE-4067913342 0.95 C(=O)(O)C(CCCCC)CCCCC
MCULE-5110587542 0.95 C(CCCCCCCCCC)(O)=O
MCULE-7144406547 0.95 C(O)(=O)CCCCCCC(C)C
MCULE-3210783287 0.95 CCCCCCCCCCCCC(C(=O)O)(C)C
MCULE-3460494679 0.95 C(CCCCCCCCC(O)=O)(O)=O
MCULE-2388869238 0.95 C(CCCCCCCCCCCCCO)(O)=O
MCULE-2401625440 0.95 C(CCCCCCCCCCCCC(C)C)(O)=O
MCULE-8192564811 0.95 C(CCCCCCCCCCCC(O)=O)(O)=O
MCULE-6168408668 0.95 C(CCCCCCCCCCC(O)=O)(O)=O
MCULE-1306261101 0.95 CC(CCCCCC(=O)O)(C)C
MCULE-4062514314 0.95 CCCCCC(O)CCCCCCCC(O)=O
MCULE-8094468025 0.95 C(CCCCCC(C)CCC)(O)=O
MCULE-3515775261 0.95 C(O)(C(CCCCC)CC)=O
MCULE-2888473872 0.95 C(CCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-4806310815 0.95 CCCCCCCCCCCCCCCCCCC(C)C(=O)O
MCULE-2198601753 0.95 CCCCCCCCCC(CC(=O)O)C
MCULE-1430959106 0.95 CCCCCCCCCCCCC(=O)O
MCULE-3831811055 0.95 CCCCCC(C(=O)O)C
MCULE-7220278799 0.95 OC(C1CCCCCCC1)=O
MCULE-8634297667 0.95 OC(=O)CCCCCCCCCCCCCC(=O)O
MCULE-9710516271 0.95 C(CCCCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-8562449211 0.95 CCCC(CC(O)=O)CCC
MCULE-9618389016 0.95 C(CCCCCC(O)=O)(O)=O
MCULE-2748338407 0.95 CCCCC(CCC(=O)O)CC
MCULE-1531878545 0.95 CCCCCC(O)CCCCCC(O)=O
MCULE-6888441916 0.95 C(CCCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-2066533125 0.95 CCCCCC(CC(O)=O)C
MCULE-9581263473 0.95 C(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCC
MCULE-3630464562 0.95 C(CCCCCCCCCCCCCC)(O)=O
MCULE-6272236651 0.95 C(CCCCCCCCCC(=O)O)[C@H](C)CC
MCULE-4777686649 0.95 CCCCCCC(CC(O)=O)C
MCULE-4476618510 0.95 CC(C(O)=O)(CCCCCC(O)CCCCCC(C(O)=O)(C)C)C
MCULE-1361949901 0.95 C(CCCCCCCCCCCCCCC)(O)=O
MCULE-8051469418 0.95 C(CCCCCCCCCCC(CCC)C(C)=O)(O)=O
MCULE-1743910978 0.95 C(CCCCC(CCCCCCCCCCCC)O)(O)=O
MCULE-9724986024 0.95 C(O)(=O)C(C)CC(CCCCCCCCCCC)CCCCCCCCCCCCC
MCULE-7115259280 0.95 C(C)(C)CCCCCCCCCCC(O)=O
MCULE-9215293129 0.95 C(O)(C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)=O
MCULE-3651545554 0.95 C(CCCCCCCCCCCCCCCCCC)(O)=O
MCULE-6664640382 0.95 CCCCCCC(C(O)=O)C
MCULE-6377253083 0.95 CCCCCCC(C(O)=O)CC
MCULE-4185159932 0.95 C(O)(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(O)=O
MCULE-1212714477 0.95 C(O)(C(C)CCCCCC(C)C(O)=O)=O
MCULE-5222815142 0.95 C(C(=O)O)(CCC)CCCCC
MCULE-7197861669 0.95 C(O)(C(C)CCCCCCC(C)C(O)=O)=O
MCULE-1839591073 0.95 C(CCCCCCCO)(O)=O
MCULE-8232897652 0.95 C(CCCCCCCCCCO)(O)=O
MCULE-3945412548 0.95 CCCCCC(C(O)=O)C(C)C
MCULE-4793937131 0.95 C(C)(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
MCULE-8357312899 0.95 C(O)(C(C)CCCCCCCCC(C)C(O)=O)=O
MCULE-8934614150 0.95 C(O)(C(C)CCCCCCCCCCC(C)C(O)=O)=O
MCULE-6672401492 0.95 C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-4488400468 0.95 CC(=O)CCCCCC(=O)O
MCULE-6216368990 0.95 CC(CCCCC(=O)O)=O
MCULE-4717498477 0.95 CCC(CCCCCCC(=O)O)=O
MCULE-3703948906 0.95 C(O)(CCC(C)CCCCC)=O
MCULE-1380155289 0.95 C(CCCCCCC(O)=O)(O)=O
MCULE-2454273176 0.95 C(O)(CCC(C)CCCC)=O
MCULE-3612456700 0.95 CCCCC(CC(O)=O)CC
MCULE-1517131616 0.95 O=C(C(CCCCCC(=O)O)CCCC)O
MCULE-1752034684 0.95 C(CCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-4418670403 0.95 C(C(CCCCC(=O)O)=O)(C)(C)C
MCULE-9929666632 0.95 C(C)(C(CCCCCC(=O)O)=O)(C)C
MCULE-9965131742 0.95 C(CCCCCCCCCCC(CCCCCC)O)(O)=O
MCULE-1071013190 0.95 CCCCCCCCC(CC(O)=O)C
MCULE-4783030711 0.95 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]([C@@H](CCC(O)=O)C)([H])CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@@H]1O
MCULE-2016332390 0.95 OCCC1CCC(=O)CC1
MCULE-3993690922 0.95 CC1CC(C(O)=O)(C2CC(C)CCC2)C1
MCULE-3935675049 0.95 C(C)(C(=O)CCCCCCC(=O)O)(C)C
MCULE-9658695246 0.95 C12(CCC(CC1)C)CC2C(O)=O
MCULE-8497826453 0.95 CCC(CCCCC(=O)O)=O
MCULE-5287861470 0.95 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])CC(O)=O)[H]
MCULE-8603570043 0.95 CCC(CCCCCC(=O)O)=O
MCULE-8810404854 0.95 C12(C)CCC(CC1O)C2(C)CCC(O)=O
MCULE-6207970958 0.95 C(C(CCCCC(=O)O)=O)CCC
MCULE-9174492631 0.95 C12(C)CCC(CC1=O)C2(C)CCC(O)=O
MCULE-5127577640 0.95 C(CCCCCCCCCCCCCCCCC)(O)=O
MCULE-5257530891 0.95 OC(C1CCC(C2CC2)CC1)=O
MCULE-8286567269 0.95 CC(CCCCC(=O)O)(C)C
MCULE-4470175604 0.95 C(O)(C1CC2C(C)(C)C(C2)C1C)=O
MCULE-5735580085 0.95 CCC(CCCCC(O)=O)C
MCULE-6158448589 0.95 [H]C12CCCCC1(C)C1CCC3(C)C(C(C)CCC(O)=O)CCC3C1CC2
MCULE-8069276044 0.95 C(=O)(O)CCCCCCCCCCCCCCCCCCCCC(=O)O
MCULE-5875777622 0.95 C1(C)(CCC(O)=O)C(CCC(O)=O)CCC2C3C(C)(CCC12)CCC3
MCULE-9203558568 0.95 C(CCC)C(=O)CCCCCCC(=O)O
MCULE-9838734871 0.95 C1C2(CCC(C(O)=O)CC2)C1
MCULE-5820446421 0.95 C(C)(C)CCCCCCCC(=O)O
MCULE-2441976800 0.95 CC(C(O)=O)C1CCC2(CC2)CC1
MCULE-7182880008 0.95 C(CCC)C(CCCCCC(=O)O)=O
MCULE-6929900712 0.95 OC(CC1CCC2(CC2)CC1)=O
MCULE-5185634901 0.95 O=C(C(C(CC(C)(C)C)C)CCC(CC(C)(C)C)C)O
MCULE-3602802796 0.95 C12(CCC(CC1)CC)CC2C(O)=O
MCULE-9971131265 0.95 [H]C12CCCCC1(C)C(C(C1CCC(C(C)CCC(O)=O)C1(C)C(O)=O)CC2)C(O)=O
MCULE-3279478733 0.95 C12(CC(CC1)CC2(C)C)C(O)=O
MCULE-6741385258 0.95 C12(CCC(CC1)C(C)(C)C)CC2C(O)=O
MCULE-8295862879 0.95 OC(CC1CCC(C2CCC2)CC1)=O
MCULE-2789377761 0.95 CC(C(O)=O)C1CCC(C2CCC2)CC1
MCULE-3450412893 0.95 C1C2(CCC(C(O)=O)CC2)CC1
MCULE-6091123641 0.95 C1(CC2C(CCCC2)C1)C(O)=O
MCULE-3585071606 0.95 CC(C(O)=O)C1C(C2CC2)CCCC1
MCULE-1311278982 0.95 C12(CCC(C(C)C1(C)C)C2)C(O)=O
MCULE-1009846890 0.95 OC(C1C2(C(C3CC3)CCCC2)C1)=O
MCULE-7044635718 0.95 CC1([C@@]2(C(O)=O)CC[C@@H]1CC2)C
MCULE-2035957255 0.95 OC(CC1C(C2CC2)CCCC1)=O
MCULE-4984630376 0.95 CC1CCC(C2(C(O)=O)CC2)CC1
MCULE-3507603615 0.95 OC(C1C2(CCC2)CCCC1)=O
MCULE-8532386971 0.95 OC(CC1CCC2(CCCC2)CC1)=O
MCULE-5253122006 0.95 C[C@@H]([C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](C[C@@H]2O)[C@]2(C)[C@@H](C[C@@H](CC2)O)CC3)CC1)CCC(=O)O
MCULE-5374557832 0.95 CC1(C(=O)O)C2CC(CC2)C1
MCULE-3471588131 0.95 C1(CC2C(CC(CC2)=O)C1)C(O)=O
MCULE-6674707395 0.95 OC(C12C3CC(CC3)C1CCC2)=O
MCULE-3576727807 0.95 CC(C(O)=O)C1C2(CCCCC2)CC1
MCULE-4183602278 0.95 C1(CC2C(CC(CC2)O)C1)C(O)=O
MCULE-8929530363 0.95 C12(C)CCC(C(CC(O)=O)C1)C2(C)C
MCULE-3163376531 0.95 OC(C1CC2(CCCCC2)C1)=O
MCULE-8412103796 0.95 C12(CCC(C(C)(C)C1C)C2)C(O)=O
MCULE-6755051379 0.95 OC(C1C(C2C3CCC(CC3)C2)C1)=O
MCULE-2648252385 0.95 C12(C)CCC(CC1CC(O)=O)C2(C)C
MCULE-2430887278 0.95 [Na+].C([O-])(C1CCCCC1)=O
MCULE-8431350287 0.95 [H]C12CCCCC1(C)C1CC(C3(C)C(C(C)CCC(O)=O)CCC3C1CC2)=O
MCULE-5173796359 0.95 OC(C1C(C2CCCCC2)C1)=O
MCULE-8287083462 0.95 C1(C)(C2CCC1(C)CC2)CCC(O)=O
MCULE-2105378214 0.95 C1(CC2CC1CC2)C(O)=O
MCULE-9754037363 0.95 C1(C)(C2CCC1(C)CC2)CC(O)=O
MCULE-7495383968 0.95 CC1(C2(C(C(O)=O)CC1CC2)C)C
MCULE-3393759799 0.95 C1(O)CCC2(C)C3CC(O)C4(C)C(C(C)CCC(=O)O)CCC4C3CCC2C1
MCULE-3076062318 0.95 CC1(C2CC(CC2)C1C(O)=O)C
MCULE-8362534875 0.95 C12(CC3CCC(CC(C3)C1)C2)C(O)=O
MCULE-6914691591 0.95 OC(CC1C2(CCCCC2)CC1)=O
MCULE-5754568032 0.95 OC(C(C1CCCCC1)C1CCC1)=O
MCULE-7440208948 0.95 CC1(C2(CCC3(CC3)CC2)C1C(O)=O)C
MCULE-4855956223 0.95 C(O)(C(C)(C)C1CCC2C3(C)CCC(C(C)CCCC(C)C)C3(C)CCC2C1(C)CC(O)=O)=O
MCULE-1781204332 0.95 C12(C)CCC3C(CCC4([H])CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-4116947583 0.95 OC(C(C1CCCCC1)C1CC1)=O
MCULE-2553099876 0.95 [C@@]12(C)[C@@]([H])([C@H](C)CCC(O)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C[C@@H]2O)[H]
MCULE-8474228842 0.95 C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(C1)[H])=O
MCULE-4794343339 0.95 C12(C)C(C(C)CCC(O)=O)CCC1([H])C1C(C3(C)CCC(CC3(CC1)[H])O)CC2=O
MCULE-5339221610 0.95 C1(CC2CC1CC2)CC(O)=O
MCULE-1828310186 0.95 O=C1CCC2(C)C3CC(C4(C)C(C(C)CCC(O)=O)CCC4C3CCC2(C1)[H])=O
MCULE-2008468853 0.95 OC(C1C2(CCC3(CC3)CC2)C1)=O
MCULE-1657466953 0.95 [C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCC(O)=O
MCULE-4265422019 0.95 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(CCC3C(C)C(O)=O)C1CC2)=O
MCULE-7268643143 0.95 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@@H]1O
MCULE-4492465897 0.95 C12(CCCC(C1)C(O)=O)CC2
MCULE-7974855017 0.95 OC(C1(CC1)CC1C2CCC(CC2)C1)=O
MCULE-8501061021 0.95 C1(CC2(C1)CCC(CC2)=O)C(O)=O
MCULE-2503310018 0.95 OC(C1C2(CCCCC2)C1)=O
MCULE-4294157743 0.91 C1(C)(CC(CC(C)(C)C1)=O)C(O)=O
MCULE-5343111314 0.91 OC(C1C(C2CC3C(C3)C2)C1)=O
MCULE-6751073161 0.91 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CCC(=O)O)C)CC[C@@]4([H])[C@]3([H])C[C@H](O)[C@]2([H])C[C@@H]1O
MCULE-3188928859 0.91 CC(C(O)=O)C1CC2CC(CC2)C1
MCULE-1013257730 0.91 OC(C1C2CCC(CC2)C1)CC(O)=O
MCULE-5331331752 0.91 C12(CC3CC(C(C3)(C)C1)(C)C2)C(O)=O
MCULE-7531839388 0.91 C12(CC3CC(CC)(CC(O)(C3)C1)C2)C(O)=O
MCULE-3526946316 0.91 C12(C)C(C(C)CCC(=O)[O-])CCC1([H])C1(C([H])(C3(C)CCC(CC3(CC1)[H])O)CC2O)[H].[Na+]
MCULE-3837009557 0.91 C12(CC3CC(C)(CC(O)(C3)C1)C2)C(O)=O
MCULE-6425588618 0.91 C[C@@]1([C@H](C(O)=O)CCCC1)O
MCULE-2872066455 0.91 C1CC(CC(=O)O)C(=O)CC1
MCULE-4224119563 0.91 C1(CCCCC1CCC(O)=O)=O
MCULE-2070450942 0.91 C(O)(CC1CCCC(=O)C1)=O
MCULE-5033425758 0.91 C1(CC2CC1CC2)C(O)=O.Cl[H]
MCULE-8487957416 0.91 [H]C12CCCCC1(C)C1CC(O)C3(C)C(C(C)CCC(O)=O)CCC3C1C(O)C2
MCULE-7380509390 0.91 [Na+].O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@H]3CC[C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)[O-])[C@]21C)O
MCULE-3867667251 0.91 O[C@H]1C(CC(O)=O)CCCC1
MCULE-6322615838 0.91 OC(C1C2(CCC(C3CCC3)CC2)C1)=O
MCULE-1729016821 0.91 C1(CC2CCC(C2)C1)C(O)=O
MCULE-8164847486 0.91 OC(C12CCCCC1C2)=O
MCULE-6810385974 0.91 [C@@]12(C)[C@@H]([C@H](C)CCC(O)=O)CCC1[C@]1(C([C@@]3(C)CCC(C[C@]3(CC1=O)[H])=O)CC2=O)[H]
MCULE-4155057370 0.91 O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@H]3C[C@@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)O)O
MCULE-2418944540 0.91 C1(CC2CCC(C2C)C1)C(O)=O
MCULE-9401527165 0.91 C1C[C@@]2(C)[C@]3([H])CC[C@]4(C)C(=O)C[C@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-5379725107 0.91 CC1([C@H]2[C@@H]1C[C@H](C(O)=O)C2)C
MCULE-1612189543 0.91 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@@H]1O
MCULE-1311164937 0.91 C1(O)(CCC(CC1)C(C)(C)C)C(O)=O
MCULE-7859411819 0.91 CC1CC(C(O)=O)(C2C3CC(CC3)C2)C1
MCULE-7823721130 0.91 CC(C(O)=O)C1C(O)(C)CCCC1
MCULE-4726169671 0.91 CC[C@@H]1[C@H]2[C@@](CC[C@H](C2)O)(C)[C@@H]2[C@H]([C@H]3[C@@](CC2)(C)[C@@H]([C@@H](CCC(=O)O)C)CC3)[C@@H]1O
MCULE-3402814140 0.91 C[C@@]1([C@H](CC(O)=O)CCCC1)O
MCULE-3728932412 0.91 [C@H]1(C(O)=O)CCC[C@@H](O)C1
MCULE-4032148565 0.91 OC(CC12CC3CC(C1)(CC(C3)C2)O)=O
MCULE-5916019409 0.91 C(O)(C1CCCCC1)(C1CCCCC1)C(O)=O
MCULE-9306266558 0.91 C12(CC3CC(CC(C3)C1)C2)C(CCC(O)=O)=O
MCULE-1509835362 0.91 [C@@H]1(C(O)=O)CCC[C@H](O)C1
MCULE-1227964000 0.91 CC(C(O)=O)(CC1CCCCC1)O
MCULE-6625595981 0.91 O=C(O)[C@@H]1CC[C@@H](O)CC1
MCULE-3032434503 0.91 CC1C(C(O)=O)CC2C(C2)C1
MCULE-6359824984 0.91 CC(C(O)=O)(CC1CC2C(C2)CC1)C
MCULE-8803525726 0.91 C(=O)(CC(C)C)C1CCCCC1C(O)=O
MCULE-4636386581 0.91 C1(CCCCC1C(O)=O)C(C(C)C)=O
MCULE-7030357253 0.91 OC(CCC1CC2C(C2)C1)=O
MCULE-4654071539 0.91 CC(C(O)=O)CC1CC2C(C2)C1
MCULE-4953623682 0.91 OC(C1(CC1)CC1CC2C(C2)C1)=O
MCULE-9153902276 0.91 CC(C(O)=O)(CC1CC2C(C2)C1)C
MCULE-8825622840 0.91 C1CC2(C)C3CCC4C(C(=O)O)CC3(C4)CCC2C(C(=O)O)(C)C1
MCULE-8104320792 0.91 OC(C1(CCCC1)CC1CC2C(C2)C1)=O
MCULE-4374611501 0.91 [C@]12(C)CC[C@]3([C@@]([H])([C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)[H]
MCULE-7291994692 0.91 CC1(CCC(C(O)=O)(O)CC1)C
MCULE-8097065230 0.91 C1(CCCC(CCC(=O)O)C1=O)CCC(=O)O
MCULE-1603817866 0.91 C[C@@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])CC3=O)[H])([H])CC1)CCC(=O)O
MCULE-8618287625 0.91 C12CC3CC(CC(C3)C1C(=O)O)C2=O
MCULE-6437253717 0.91 C1(C)(C)C(C)C(O)CCC1C(O)=O
MCULE-9788874393 0.91 CCC(C(O)=O)(C1C(O)(C)CCCC1)C
MCULE-2587545100 0.91 CC1(CC(C(O)=O)(CO)CC(C)(C)C1)C
MCULE-7032345049 0.91 [C@@]12(C)[C@@]([H])([C@H](C)CCC(O)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(C[C@H]1O)[H])O)C[C@@H]2O)[H]
MCULE-6048774329 0.91 C(O)(=O)[C@@H]1CCC[C@@H](O)C1
MCULE-9068909742 0.91 OC1CC(C(O)=O)CCC1
MCULE-6867752922 0.91 C1(CCCCC1C(CCC)=O)C(O)=O
MCULE-6007001487 0.91 C1C2CC3(C(=O)O)CC1CC(C3)C2O
MCULE-7330224392 0.91 C1(CCCCC1C(CC)=O)C(O)=O
MCULE-6702830045 0.91 C[C@H](CCC(=O)O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C[C@@H]3O)[H])([H])CC1
MCULE-1493453185 0.91 C1(CCCCC1)C(CCC(=O)O)=O
MCULE-1425054597 0.91 C[C@H](CCC(=O)O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])[C@@H](CC)[C@H]3O)[H])([H])CC1
MCULE-2351809970 0.91 C1(C(CCCC(=O)O)=O)CCCCC1
MCULE-7637251477 0.91 OC(CCC1CC2C(C2)CC1)=O
MCULE-6191485166 0.91 CC(C(O)=O)CC1CC2C(C2)CC1
MCULE-4387871536 0.91 OC(C1(CC1)CC1CC2C(C2)CC1)=O
MCULE-3424436777 0.91 C1[C@@H](C[C@]2(C[C@H](O)[C@@]3([H])[C@@]4(CC[C@]([C@@]4(C)CC[C@@]3([C@]2(C1)C)[H])([H])[C@@H](CCC(=O)O)C)[H])[H])O
MCULE-9604505215 0.91 CCC(C(O)=O)C1C(O)(C)CCCC1
MCULE-2460783843 0.91 [C@@H]1(C(O)=O)CCC(=O)C[C@H]1C
MCULE-1848106804 0.91 CC([C@H]1[C@@](O)(C)CCCC1)(C(O)=O)C
MCULE-5729772657 0.91 C1(O)(CCC(CC1)CC)C(O)=O
MCULE-2502533102 0.91 C12CCCCC1C2C(O)=O
MCULE-6610747657 0.91 C[C@]1([C@@]2([H])[C@]([C@]3(CC[C@]4(C[C@]3(CC2)CC4=O)C)[H])(C)CCC1)C(=O)O
MCULE-1042196532 0.91 CC(C(O)=O)(C1C(O)(C)CCCC1)C
MCULE-3421183878 0.91 C[C@@H]([C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)[C@@H](C[C@@H](CC2)O)C[C@H]3O)CC1)CCC(O)=O
MCULE-4358979995 0.91 C1(CCCCC1C(C)=O)C(O)=O
MCULE-9576516239 0.91 C1C2CC3(C(=O)O)CC1CC(C3)C2=O
MCULE-8504861268 0.91 C(O)(=O)C1(CCCCC1)O
MCULE-9890442572 0.91 C12C(C1)CC(C(O)=O)C2
MCULE-3268045048 0.91 OC(C1CCC(=O)CC1)=O
MCULE-7250327068 0.91 C12(C)CCCC(C)(C)C1CCC(C)(O)C2CC(O)=O
MCULE-2724503390 0.91 C1(CCCCC1)[C@H](O)C(=O)O
MCULE-2949323528 0.91 C1(CCCCC1)[C@@H](O)C(=O)O
MCULE-3422507323 0.91 OC(CC1(CCCCC1)O)=O
MCULE-1684765148 0.91 O=C(O)C1CCCCC1=O
MCULE-2177317477 0.91 C1(C)(CCCC(C)(C)C1=O)CCC(=O)O
MCULE-9641279057 0.91 OC(C(O)=O)CC1CCCCC1
MCULE-9031066254 0.91 C1(=O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C(=O)C1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)C(=O)C2
MCULE-1918471657 0.91 CC1C(=O)CCC(C(O)=O)C1
MCULE-2480420127 0.91 C1C(O)CCC(C1)C(=O)O
MCULE-7268034011 0.91 C1CC2(C3CCC4C(CO)CC3(C4)CCC2C(C)(C1)C(=O)O)C
MCULE-5217139502 0.91 [C@H]1(C(O)=O)CCC(=O)C[C@@H]1C
MCULE-3360247652 0.91 C12(CCC(C(C)(C)C1)(C(O)C2)C)C(O)=O
MCULE-8746895087 0.91 C[C@]12CC[C@H]3[C@]4(CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C1)CC2=O)C
MCULE-5851579880 0.91 C12(CC3CC(CC(C3)C1)C2)C(C)(O)CC(O)=O
MCULE-2976071300 0.91 C12(CCC(C(C)(C)C1)(C(=O)C2)C)C(O)=O
MCULE-6719700936 0.91 C[C@@H]([C@H]1CC[C@]2([C@]3([C@@](CC(=O)[C@]12C)([H])[C@]1(C)[C@](CC(=O)CC1)([H])CC3=O)[H])[H])CCC(=O)O
MCULE-7049598328 0.91 OC(C(O)=O)C1C2CC3CC(C2)CC1C3
MCULE-6935468570 0.91 C12(CC3CC(C)(CC(C3)(C)C1)C2)C(CCC(O)=O)=O
MCULE-6193557471 0.91 C1C2CC3CC1CC(C(=O)O)(C3)C2=O
MCULE-8636111494 0.91 C12(C)CCC3C(C(O)CC4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-9895779131 0.91 OC(C1C2(C3(CCCCC3)CC2)C1)=O
MCULE-5457069948 0.91 OC(C1C2C1CCC2)=O
MCULE-7582955995 0.91 OCC1(CCCCC1)CC(O)=O
MCULE-1137791149 0.91 C(O)(=O)C(O)C1CCCCC1
MCULE-9447631047 0.91 C1C[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)C[C@@H](C)C(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]2([H])C[C@@H]1O
MCULE-5653162391 0.91 OC(C12CC3CC(C1)(CC(C3)C2)O)=O
MCULE-5242713432 0.91 C1C[C@@]2(C3CCC4C(CO)CC3(C4)CCC2[C@](C)(C1)C(=O)O)C
MCULE-8239247384 0.91 C1CC2(C)C3CCC4C(C(=O)O)CC3(C4)CCC2C(O)(C)C1
MCULE-1524081508 0.91 C12C3C([H])(C(=O)O)C(C(C1([H])C(=O)O)CC2)CC3
MCULE-6257378779 0.91 C1C[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)C[C@H](C)C(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]2([H])C[C@@H]1O
MCULE-9639307076 0.91 C12(C)C([H])(C(C)CCC(O)=O)CCC1([H])C1(C([H])(C3(C)CCC(CC3(CC1O)[H])O)CC2O)[H]
MCULE-6151721743 0.91 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]4([H])[C@]3([H])C[C@H](O)[C@]2([H])C[C@@H]1O
MCULE-6268640287 0.91 C1C[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@@H]1O
MCULE-3881057082 0.91 CC12CC3(O)CC(CC(C(O)=O)(C3)C1)(C)C2
MCULE-4000677223 0.91 C1(C)(CC(C)(CO)CC(C)(CO)C1)C(O)=O
MCULE-5939746375 0.91 OC(CC1C2C(C2)CC1)=O
MCULE-2392362320 0.91 CC1CCC(C(O)=O)(O)CC1
MCULE-4925971656 0.91 C1(=O)C2CCCC1CC([H])(C(O)=O)C2
MCULE-8592697908 0.91 C1(C(C)C)(CCC(CC1)=O)C(O)=O
MCULE-2961983590 0.91 C1(CC2CCCC(C2O)C1)C(O)=O
MCULE-4617210772 0.91 C12(C)CCC3(C([H])(C(=O)CC4([H])CC(=O)CCC34C)C1([H])CCC2C(C)CCC(O)=O)[H]
MCULE-9685921085 0.91 O[C@H]1[C@H](C(O)=O)CCCC1
MCULE-2282540668 0.91 O[C@@H]1C[C@H](C(=O)O)CCC1
MCULE-1705333752 0.91 C1(C)(C)C(C)C(=O)CCC1C(O)=O
MCULE-3370494896 0.91 O[C@H]1C[C@@H](C(=O)O)CCC1
MCULE-6324573231 0.91 C12(C)CCC(CC(C(O)=O)C1)C2(C)C
MCULE-6215487775 0.91 C1CCCC(C(C(O)=O)(C)C)C1C(CC)=O
MCULE-2653982818 0.91 CCCC1CCC(C(O)=O)(O)CC1
MCULE-3334513103 0.91 CCC(C1(CCCCC1)O)C(O)=O
MCULE-6932837620 0.91 C12(C3CC(CC(C3)C1)C2)C(=O)O
MCULE-5519058025 0.91 C1[C@H](O)CC[C@@H](C1)C(=O)O
MCULE-5629188101 0.91 OC(C(O)=O)CC1C2CCC(CC2)C1
MCULE-7852085763 0.91 CC1C(C(O)=O)CCC(=O)C1
MCULE-8634032188 0.91 [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)C[C@@]3([H])CC(=O)[C@@]21[H]
MCULE-4502285714 0.91 C1CC(O)C(C(=O)O)CC1
MCULE-6356306352 0.91 CC1(C(C(=O)O)CCC(=O)C1)C
MCULE-5802470514 0.91 C12(C)C([H])(C(C)CCC(O)=O)CCC1([H])C1(C([H])(C3(C)CCC(CC3(CC1=O)[H])=O)CC2=O)[H]
MCULE-1055087889 0.91 [C@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC(O)=O)CC3)[C@@H](O)C2
MCULE-7831785324 0.91 CC12C(=O)CC3(C1)C(C1(C)C(CC3)C(C(O)=O)(C)CCC1)CC2
MCULE-4692930106 0.91 [C@@]123CC[C@]4([C@@](C)(CCC[C@@]4(C)C(O)=O)[C@]1([H])CC[C@@](C(=O)C2)(C)C3)[H]
MCULE-3360072331 0.91 CC(C(O)=O)C(C1C2CCC(CC2)C1)O
MCULE-7237914196 0.91 CC(C1CCC(C(C(O)=O)O)CC1)(C)C
MCULE-8272811754 0.91 [Na+].[C@@]12(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C[C@@H]2O)[H]
MCULE-5633126153 0.91 CC1(CC(C(=O)O)(O)CCC1)C
MCULE-8455721308 0.91 C1(=O)C2CC(CC1CC(C(O)=O)C2)C
MCULE-9089777466 0.91 C12(C)CCC(CC1C(CC)C(C1C3C(C)(C(CC3)C(C)CCC(O)=O)CCC12)O)O
MCULE-4607798321 0.91 C(CCC1(CCC(O)=O)C(C(CCC(O)=O)(CCC(O)=O)CCC1)=O)(O)=O
MCULE-1572569153 0.91 C1(C)(CCC(CC1)=O)C(O)=O
MCULE-6960655075 0.91 CC(C12CC3(C(O)=O)CC(C1)CC(C3)C2)=O
MCULE-2089699013 0.91 CC1(C(C(O)=O)C1C1CC2C(C2)CC1)C
MCULE-7157392758 0.91 C12(C)CCC(CC1C(O)CC1C3C(C)(C(CC3)C(C)CCC(O)=O)CCC12)O
MCULE-9658779473 0.91 OC(C1C2C3C4CC5C(C14)C2CC53)=O
MCULE-6286773194 0.91 C(O)(=O)C1CCCC(=O)C1
MCULE-8093957599 0.91 OC(C1C(C2CC3C(C3)CC2)C1)=O
MCULE-7858410602 0.91 CC1(C(C(O)=O)C1C1CC2C(C2)C1)C
MolPort-035-385-764 0.91 O[C@@H]1CCCCC1CC(O)=O
MolPort-021-998-221 0.91 CC1CC(CCC1=O)C(O)=O
MolPort-030-042-315 0.91 CC(CCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
MolPort-000-150-180 0.91 OC(=O)CC12CC3CC(CC(O)(C3)C1)C2
MolPort-019-939-230 0.91 CC(CCC(O)=O)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
MolPort-046-658-737 0.91 C[C@@H](C1CCC2CC12)C(O)=O
MolPort-000-147-853 0.91 OC(=O)C1C2CCCCC12
MolPort-000-720-075 0.91 CC(CCC(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CCC4(C)[C@H]3C[C@H](O)C12C
MolPort-046-703-097 0.91 C[C@@]1(CC[C@H](O)CC1)C(O)=O
MolPort-003-985-863 0.91 OC(=O)C12CC3CC1CC(C2)C3
MolPort-021-225-213 0.91 CC1(C)CCCC(O)(C1)C(O)=O
MolPort-019-937-482 0.91 CC12CCCC(C)(C1CCC13CC(CCC21)C(=O)C3)C(O)=O
MolPort-046-764-429 0.91 [2H]C1([2H])C[C@]2(C)C3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4C3[C@H](O)C[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(O)=O
MolPort-023-385-346 0.91 CC1(CC2CC2C1)C(O)=O
MolPort-028-959-251 0.91 OC(=O)[C@@]12C[C@H]3C[C@@H](C1)C(=O)[C@H](C3)C2
MolPort-046-764-544 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
MolPort-003-850-816 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@@H](O)C[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(O)=O
MolPort-046-764-568 0.91 C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-567 0.91 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
MolPort-046-690-728 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-037 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(O)=O
MolPort-046-690-185 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-566 0.91 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(O)=O
MolPort-028-749-849 0.91 O[C@H]1CC[C@H](CC1)C(O)=O
MolPort-023-335-096 0.91 CC1(C)CC(=O)CC(C)(C1)C(O)=O
MolPort-023-221-425 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)CC1CC3=O
MolPort-006-111-566 0.91 CCC(C(O)=O)C1(O)CCCCC1
MolPort-003-892-613 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-038-941-969 0.91 O[C@H]1CC[C@H](CC1)C([O-])=O
MolPort-000-127-797 0.91 OC(=O)C1CCC(=O)CC1
MolPort-046-647-407 0.91 OC(=O)[C@@H]1CC[C@@H]2C[C@H]12
MolPort-046-690-657 0.91 C[C@H](CC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-020-166-227 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-811-474 0.91 CC1C(=O)CCC(C(O)=O)C1(C)C
MolPort-046-764-516 0.91 [2H]C([2H])([2H])C([2H])([2H])[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
MolPort-013-566-429 0.91 OC(=O)C(=O)CC1CCCCC1
MolPort-046-649-245 0.91 C[C@H](CCC(O)=O)[C@H]1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-006-668-629 0.91 CC12CCCC(C)(C1CCC13CC(CO)C(C1)CCC23)C(O)=O
MolPort-039-052-490 0.91 CC1(C)[C@H]2CC[C@@]34C[C@H](CC[C@H]3[C@]2(C)CCC1=O)[C@H](C4)C(O)=O
MolPort-038-073-898 0.91 O[C@@H]1CCC[C@@H](C1)C(O)=O
MolPort-038-073-843 0.91 O[C@@H]1CCCC[C@H]1C(O)=O
MolPort-046-689-115 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-000-163-041 0.91 OC(C1CCCCC1)C(O)=O
MolPort-038-073-819 0.91 O[C@@H]1CCC[C@H](C1)C(O)=O
MolPort-000-140-023 0.91 O[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-024-913-286 0.91 CC(C)(C)C1CCC(CC1)C(O)C(O)=O
MolPort-002-937-791 0.91 CC1(C)CCCC2(C)C(CC(O)=O)C(C)(O)CCC12
MolPort-022-371-423 0.91 CCC1CC(CCC1=O)C(O)=O
MolPort-044-723-218 0.91 CC1(C)[C@H]2CC[C@@]34CC(CC[C@H]3[C@]2(C)CCC1=O)[C@H](C4)C(O)=O
MolPort-044-651-999 0.91 OC(=O)[C@]12C[C@H]1CCC2
MolPort-022-389-639 0.91 CC12CC3(C)CC(O)(C1)CC(C2)(C3)C(O)=O
MolPort-044-901-394 0.91 CC(C)(C)C1CCC(CC(O)C(O)=O)CC1
MolPort-046-164-623 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-044-727-606 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-022-371-428 0.91 OC(=O)C12CCC(O)(CC1)CC2
MolPort-039-139-682 0.91 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
MolPort-039-061-904 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
MolPort-000-006-618 0.91 OC(=O)CC1(O)CCCCC1
MolPort-002-471-137 0.91 CC(=O)C12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-019-865-636 0.91 OC(=O)C(O)(C1CCCCC1)C1CCCCC1
MolPort-001-787-759 0.91 OC(=O)CCC1CCCCC1=O
MolPort-044-729-779 0.91 CC1CC2CC2CC1C(O)=O
MolPort-046-510-046 0.91 C[C@H](CCC(O)=O)C1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
MolPort-002-353-407 0.91 OC(=O)C1CC2CCCC(C1)C2=O
MolPort-044-727-653 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
MolPort-022-371-897 0.91 OC(CC1CCCCC1)C(O)=O
MolPort-003-722-183 0.91 OC(=O)CCC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-002-498-717 0.91 OC(=O)C1CCCC(=O)C1
MolPort-046-765-791 0.91 C[C@@H](CCC(O)=O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3=O
MolPort-022-366-976 0.91 OC1CCCC(C1)C(O)=O
MolPort-002-327-339 0.91 OC(=O)CC1CCCC(=O)C1
MolPort-006-823-635 0.91 CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
MolPort-007-980-872 0.91 C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(O)=O)C3CC2
MolPort-044-723-653 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C(O)CC4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-856-014 0.91 CCC(=O)C1CCCCC1C(O)=O
MolPort-020-248-336 0.91 OC(=O)C1CC2CCC(C2)C1
MolPort-001-790-616 0.91 CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
MolPort-001-790-624 0.91 CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
MolPort-044-649-715 0.91 CC1(C)CC[C@@]2(CC[C@]3(C)C([C@@H]2C1)C(=O)C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O
MolPort-016-633-329 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-765-898 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3[C@@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
MolPort-002-526-980 0.91 C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-527-338 0.91 CC1(C)CCC[C@]2(C)[C@@H](CC(O)=O)[C@](C)(O)CC[C@@H]12
MolPort-044-183-235 0.91 CCCCC1[C@H]2CC(=O)[C@H](CCCCCCC(O)=O)[C@H]2CCC1=O
MolPort-002-894-293 0.91 OC(=O)C1C2CC3CC(C2)C(=O)C1C3
MolPort-002-550-805 0.91 O[C@H]1C2CC3CC1CC(C3)(C2)C(O)=O
MolPort-008-310-485 0.91 OC12CC3CC(C1)CC(C3)(C2)C([O-])=O
MolPort-046-774-861 0.91 OC(=O)CC12CC1CCC2
MolPort-022-368-898 0.91 OC1CCCC(CC(O)=O)C1
MolPort-023-162-175 0.91 OC(=O)C1C2C3CC4C5CC(C24)C1C35
MolPort-014-557-447 0.91 CCCC1CCC(O)(CC1)C(O)=O
MolPort-001-794-630 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-794-647 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-026-972-200 0.91 CC1CCC(CC1)C(=O)CCC(O)=O
MolPort-020-248-478 0.91 CC1(CCC(O)CC1)C(O)=O
MolPort-020-248-477 0.91 CC1(CCC(=O)CC1)C(O)=O
MolPort-014-557-385 0.91 CCC1CCC(O)(CC1)C(O)=O
MolPort-000-003-952 0.91 OC1CCCCC1C(O)=O
MolPort-022-368-569 0.91 CC1CC(=O)CCC1C(O)=O
MolPort-014-557-351 0.91 CC1CCC(O)(CC1)C(O)=O
MolPort-022-368-250 0.91 OC(=O)C12CCC(C1)CCC2
MolPort-046-767-695 0.91 OC(=O)C12C[C@@H]3CC1C[C@H](C2)C3
MolPort-002-800-689 0.91 CC1CC2CC(CC(C1)C2=O)C(O)=O
MolPort-008-356-151 0.91 OC(=O)C1[C@H]2CCCC[C@@H]12
MolPort-000-004-112 0.91 OC(=O)C1(O)CCCCC1
MolPort-046-147-909 0.91 CC1(C)[C@H]2C[C@@H](C[C@@H]12)C(O)=O
MolPort-002-526-492 0.91 C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-044-649-714 0.91 CC1(C)CC[C@@]2(CC[C@]3(C)C([C@@H]2C1)C(=O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O
MolPort-042-652-560 0.91 Cl.OC(=O)C1CC2CCC1C2
MolPort-002-146-304 0.91 CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)CCC(O)=O
MolPort-044-649-352 0.91 C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(CCC[C@]1(C)C(O)=O)[C@H]3CC2
MolPort-002-501-651 0.91 OC1CCC(CC1)C(O)=O
MolPort-046-054-511 0.91 CC(CCC(O)=O)[C@H]1CCC2C3[C@H](O)CC4C[C@H](O)CCC4(C)[C@H]3C[C@H](O)C12C
MolPort-002-135-840 0.91 CC(O)(CC(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-002-914-918 0.91 OC(=O)CCC1CCCC(CCC(O)=O)C1=O
MolPort-046-417-743 0.91 C[C@H](CC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-417-084 0.91 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
MolPort-002-910-695 0.91 O[C@H]1C2CC3CC(C2)[C@H](C1C3)C(O)=O
MolPort-019-878-758 0.91 CC1(C)CC(=O)CCC1C(O)=O
MolPort-014-557-365 0.91 CC(C)(C)C1CCC(O)(CC1)C(O)=O
MolPort-002-910-684 0.91 OC(=O)[C@H]1C2CC3CC(C2)C(=O)C1C3
MolPort-042-623-854 0.91 OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1
MolPort-009-019-423 0.91 CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-904-000 0.91 C[C@H](CCC(O)=O)C1CC[C@H]2C3[C@H](CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
MolPort-002-129-915 0.91 OC(=O)C12CC3CC(CC(C3)C1=O)C2
MolPort-002-114-078 0.91 CCC12CC3CC(O)(C1)CC(C3)(C2)C(O)=O
MolPort-042-624-082 0.91 C[C@]12C[C@@]3(CC1O)CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(O)=O)C3CC2
MolPort-002-113-913 0.91 OC(=O)C12CC3CC(C1)C(=O)C(C3)C2
MolPort-002-517-360 0.91 C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(O)=O)[C@@H]3CC2
MolPort-002-084-115 0.91 CC12CC3CC(O)(C1)CC(C3)(C2)C(O)=O
MolPort-002-070-436 0.91 OC(=O)[C@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2
MolPort-002-525-230 0.91 C[C@H](CCC(O)=O)[C@H]1CCC2[C@H]3C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
MolPort-046-691-181 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-937-758 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
MolPort-046-659-181 0.91 C[C@@H](C1CCC2CC2C1)C(O)=O
MolPort-003-928-377 0.91 O.[Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-027-836-049 0.91 [Na+].C[C@H](CCC([O-])=O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-035-682-579 0.91 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
MolPort-035-690-464 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-029-216-836 0.91 OC(=O)[C@@H]1[C@H]2CCCC[C@@H]12
MolPort-046-761-525 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H](O)[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(O)=O
MolPort-046-761-526 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H](O)[C@@H]2C([2H])([2H])[C@H]1O)[C@H](C)CCC(O)=O
MolPort-019-937-142 0.91 CC1(O)CCCC2(C)C3CCC4CC3(CC4C(O)=O)CCC12
MolPort-046-673-773 0.91 OC(=O)C1C2C3CC1CC23
MolPort-035-748-993 0.91 O[C@H]1CCCC[C@@H]1CC(O)=O
MolPort-035-749-039 0.91 O[C@@H]1CCCC[C@H]1CC(O)=O
MolPort-003-937-759 0.91 [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
MolPort-000-653-713 0.91 CC12CC3CC1(C)CC(C2)(C3)C(O)=O
MolPort-005-944-974 0.91 C[C@]12CCC[C@@](C)(C1CCC13CC(CO)C(C1)CCC23)C(O)=O
MolPort-019-995-533 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-009-198-974 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
MolPort-029-004-494 0.91 OC(=O)CC1CCC2CC2C1
MolPort-035-789-722 0.91 CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](O)C[C@@H]12
MolPort-029-002-410 0.91 OC(=O)CC1CC2CC2C1
MolPort-021-174-376 0.91 CC1(C)CCC(O)(CC1)C(O)=O
MolPort-003-929-812 0.91 [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-003-929-721 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
MolPort-003-929-584 0.91 O[C@H](C1CCCCC1)C(O)=O
MolPort-006-116-139 0.91 OC(=O)C(=O)C1CCCCC1
MolPort-000-142-027 0.91 OC(=O)C12CC3CC(CC(O)(C3)C1)C2
MolPort-003-929-005 0.91 OC(=O)[C@@]12C[C@@H]3C[C@@H]1C[C@H](C2)C3
MolPort-003-983-742 0.91 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-761-050 0.91 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CO)[C@@H](C1)CC[C@@H]23)C(O)=O
MolPort-019-937-143 0.91 CC12CCCC(C)(C1CCC13CC(CCC21)C(C3)C(O)=O)C(O)=O
MolPort-046-660-390 0.91 C[C@H](C1CCC2CC12)C(O)=O
MolPort-046-671-897 0.91 CC(C1CCC2CC2C1)C(O)=O
MolPort-004-949-509 0.91 CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
MolPort-029-670-892 0.91 OC(=O)CC1CCCC2CC12
MolPort-029-670-646 0.91 OC(=O)C1CCCC2CC12
MolPort-000-929-135 0.91 OC(=O)C1C2CCCC12
MolPort-021-996-483 0.91 OC(=O)C1CC2CC2C1
MolPort-029-670-645 0.91 OC(=O)CC1CCC2CC12
MolPort-021-997-084 0.91 OC(=O)C12CC1CCCC2
MolPort-004-773-313 0.91 CC(=O)C1CCCCC1C(O)=O
MolPort-021-997-086 0.91 OC(=O)C1CCC2CC2C1
MolPort-046-660-407 0.91 C[C@H](C1CCC2CC2C1)C(O)=O
MolPort-029-527-370 0.91 CCC1(CCC(O)CC1)C(O)=O
MolPort-046-650-995 0.90 C[C@H](CCC1CCCC1)C(O)=O
MolPort-044-765-576 0.90 C[C@@H](C1CCCC1)C(O)=O
MolPort-019-905-634 0.90 OC12CCC(CC1)(CC2)C=O
MolPort-001-769-566 0.90 OCC1CCC(=O)CC1
MolPort-046-651-363 0.90 CC(C(O)=O)C1(C)CCCC1
MolPort-046-693-187 0.90 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-046-790-673 0.90 CC1(O)CCCCC1=O
MolPort-046-672-146 0.90 OC(=O)C12CC(C1)(C2)C1CCC1
MolPort-020-916-332 0.90 OC(=O)CCC1CCCCCC1
MolPort-046-067-675 0.90 CCC[C@]1(O)CCC2C3CCC4CC(=O)[C@H](C)C[C@]4(C)C3CC[C@]12C
MolPort-002-463-445 0.90 CC(=O)C12CC3CC(CC(O)(C3)C1)C2
MolPort-044-831-917 0.90 CC1(C)CC2(CC(C2)C(O)=O)C1
MolPort-045-902-942 0.90 CC(=O)CC1C(C)(O)CCC2C(C)(C)CCCC12C
MolPort-020-969-089 0.90 CCCCC1(CC1)C(O)=O
MolPort-002-319-290 0.90 OC12CC3CC(C1)C(=O)C(C3)C2
MolPort-044-832-345 0.90 CC1(C)CC1CCC(O)=O
MolPort-046-674-837 0.90 CCC(C)C12CC(C1)(C2)C(O)=O
MolPort-046-792-845 0.90 [Sn+4].CCC[CH2-].CCC[CH2-].CCCCCCCCCCCC([O-])=O.CCCCCCCCCCCC([O-])=O
MolPort-020-969-077 0.90 OC(=O)CCCC1CC1
MolPort-006-114-405 0.90 [Sr++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-005-935-455 0.90 [K+].CCCCC(CC)C([O-])=O
MolPort-002-507-274 0.90 CCCCCCCCC1CC1C(O)=O
MolPort-044-559-964 0.90 [Rh].[Rh].CCCCCCCC(O)=O.CCCCCCCC(O)=O.CCCCCCCC(O)=O.CCCCCCCC(O)=O
MolPort-006-114-404 0.90 [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-029-526-209 0.90 CC(O)C(=O)C1CCCCC1
MolPort-016-631-678 0.90 CC(C)(C)C(=O)CC1(O)CCCCC1
MolPort-044-559-891 0.90 [Co++].[Co++].[Co++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-005-314-004 0.90 OC(=O)C1CC2(C1)CC(=O)C2
MolPort-006-118-064 0.90 [Ba++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-016-631-700 0.90 CCCCC1CC1C(O)=O
MolPort-025-501-031 0.90 OCCCC1CCCCC1=O
MolPort-029-499-994 0.90 OC(=O)C(C1CCC1)C1CCC1
MolPort-006-118-916 0.90 [Li+].CCCCCCC(O)CCCCCCCCCCC([O-])=O
MolPort-006-119-250 0.90 [Na+].CCCCCCC([O-])=O
MolPort-002-509-738 0.90 CC(=O)CC1C(CC(O)=O)C1(C)C
MolPort-025-497-826 0.90 CC(C)(CC1CCC1)C(O)=O
MolPort-044-747-265 0.90 OC(=O)CCCCCCCCC1CC1
MolPort-028-750-630 0.90 OC(=O)CCCCC1CCCC1
MolPort-006-119-307 0.90 [K+].CCCCCCCCCCCC([O-])=O
MolPort-006-120-195 0.90 [Na+].CCCCCCCCCCCCCCCCCCCC([O-])=O
MolPort-006-120-283 0.90 [Na+].CCCCCCC(O)CCCCCCCCCCC([O-])=O
MolPort-005-937-181 0.90 [Rh++].[Rh++].CCCCCCCC([O-])=O.CCCCCCCC([O-])=O.CCCCCCCC([O-])=O.CCCCCCCC([O-])=O
MolPort-029-499-992 0.90 OC(=O)CC(C1CCC1)C1CCC1
MolPort-044-562-019 0.90 [Ca++].CCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCC([O-])=O
MolPort-028-916-522 0.90 CCCCC1CC(C1)C(O)=O
MolPort-006-022-424 0.90 OC(=O)CC1CCCCCC1
MolPort-011-207-655 0.90 OC(=O)C1CC1C1CC1
MolPort-028-949-905 0.90 CC(=O)[C@@H]1C[C@H](CC(O)=O)C1(C)C
MolPort-006-069-252 0.90 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-026-526-245 0.90 CC1(O)CCC(=O)CC1
MolPort-006-107-472 0.90 [Fe+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-006-116-253 0.90 [Li+].CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-044-649-697 0.90 C[C@@H](C=O)[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-006-107-480 0.90 [Pb++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-028-932-868 0.90 CC1CC(CCC(O)=O)C1
MolPort-005-942-306 0.90 [Ag+].CCCCCCCCCCCCCCCCCCCCCC([O-])=O
MolPort-008-604-173 0.90 CC1(CC(O)=O)CCCC1
MolPort-023-314-254 0.90 CC(C)(C1CCCC1)C(O)=O
MolPort-044-616-210 0.90 OC(=O)C1C2(CC2)C11CC1
MolPort-006-110-929 0.90 [Zn++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-006-114-126 0.90 [Cd++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-006-116-790 0.90 [Na+].CCCCCCCCCCCCCCCCCCCCCC([O-])=O
MolPort-008-492-163 0.90 CC(C1CCCC1)C(O)=O
MolPort-026-522-600 0.90 CC1(CCCCCC1)C(O)=O
MolPort-026-621-756 0.90 CC1CCCC(CC1)C(O)=O
MolPort-029-251-516 0.90 OC(=O)C1CC(C1)C1CCC1
MolPort-006-111-666 0.90 OCCCCCCC(O)C(O)CCCCCCCC(O)=O
MolPort-006-111-835 0.90 [Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-026-624-421 0.90 CC1(C)CCCC(CC1)C(O)=O
MolPort-006-111-836 0.90 [Zn++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-006-068-532 0.90 CCC[C@@H]1C[C@@H]1C(O)=O
MolPort-002-506-907 0.90 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-006-111-882 0.90 [K+].CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-006-112-188 0.90 [Al+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-006-113-836 0.90 [Na+].CCCCCCCC([O-])=O
MolPort-006-022-377 0.90 OC(=O)CC(C1CC1)C1CC1
MolPort-023-220-261 0.90 C[C@]12CC[C@H]3[C@@H](CCC4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-044-422-867 0.90 OC(=O)C[C@@H]1C[C@H]1C1CC1
MolPort-002-966-538 0.90 OC(=O)C1CC1(C1CC1)C1CC1
MolPort-002-964-483 0.90 CCCCCCCCCCC1CC1C(O)=O
MolPort-002-945-319 0.90 OC12C[C@H]3C[C@@H](C1)C(=O)[C@H](C3)C2
MolPort-020-969-073 0.90 CC1CCC(CC(O)=O)C1
MolPort-009-196-945 0.90 OCC1CCCC(=O)C1
MolPort-027-634-797 0.90 OC(=O)CCCC1CCC1
MolPort-006-704-470 0.90 OC(=O)CCC1CCC1
MolPort-003-918-635 0.90 [Na+].CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-003-925-475 0.90 OCCCCCC[C@H](O)[C@H](O)CCCCCCCC(O)=O
MolPort-038-077-454 0.90 OC(=O)[C@H]1C[C@@H]1C1CC1
MolPort-002-911-084 0.90 CC12CCC3C(CC[C@H]4C[C@H](O)CCC34C)C1CCC2=O
MolPort-042-620-933 0.90 CC(C)(C)C[C@@H]1C[C@H]1C(O)=O
MolPort-042-621-699 0.90 CC1CC(O)CC(C)(C)C1=O
MolPort-042-623-667 0.90 OC(=O)CCC1(CCC(O)=O)CC1
MolPort-003-927-905 0.90 [Na+].CCCCCCCCCC([O-])=O
MolPort-027-585-031 0.90 CCCC1CC(C1)C(O)=O
MolPort-042-644-765 0.90 CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-831-587 0.90 CC(O)C(=O)C1(C)CCCCC1
MolPort-038-941-426 0.90 OC(=O)C1CC2(C1)CC1(CCC1)C2
MolPort-009-196-947 0.90 OCC1CCCCC1=O
MolPort-006-120-863 0.90 [Na+].CCCCCCCCC([O-])=O
MolPort-003-892-374 0.90 CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
MolPort-003-801-406 0.90 CC(C)(C)C1CC(=O)C(CC1O)C(C)(C)C
MolPort-039-052-232 0.90 [2H]C1([2H])C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC[C@H]2C([2H])([2H])[C@]1([2H])O
MolPort-003-846-893 0.90 C[C@@H]1C[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-038-949-406 0.90 CCC[C@@H]1C[C@H]1C(O)=O
MolPort-003-873-375 0.90 CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2=O
MolPort-006-758-085 0.90 CC1(C)CCCC1C(O)=O
MolPort-006-758-086 0.90 CC1CCCC1C(O)=O
MolPort-003-891-847 0.90 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-712-681 0.90 CC(O)C(=O)C12CC3CC(CC(C3)C1)C2
MolPort-003-711-561 0.90 OC(=O)C1C2CCC3C(CCC12)C3C(O)=O
MolPort-003-891-850 0.90 CC12CCC3C(CC[C@H]4CC(O)CCC34C)C1CCC2=O
MolPort-039-241-626 0.90 OC(=O)[C@@H]1C[C@H]1C1CC1
MolPort-003-659-818 0.90 CC1CCC(C)(C(O)=O)C1(C)C
MolPort-003-891-890 0.90 CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
MolPort-003-892-356 0.90 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-892-358 0.90 CC(=O)C1CCC2C3CC[C@H]4CC(O)CCC4(C)C3CCC12C
MolPort-039-331-718 0.90 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-023-276-471 0.90 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-934-883 0.90 [Na+].CCCCCCC[13C]([O-])=O
MolPort-003-935-493 0.90 [Na+].CCCCC(CC)C([O-])=O
MolPort-023-276-657 0.90 CCCCCC1CC1CC1CC1CCCCCCCC(O)=O
MolPort-006-734-705 0.90 OC1CC2(C1)CC(C2)C(O)=O
MolPort-012-857-959 0.90 CCC(CC1CCCC1)C(O)=O
MolPort-023-279-316 0.90 CC1CC(=O)CCC1O
MolPort-008-383-068 0.90 OC(=O)CCCC1(CCCC1)C(O)=O
MolPort-002-550-998 0.90 CC1(CC1C(O)=O)C1CC1
MolPort-012-857-956 0.90 CC(CC1CCCC1)C(O)=O
MolPort-002-539-475 0.90 CC1(CC11CC1(C)C(O)=O)C1CC1
MolPort-022-912-679 0.90 OCC(=O)C1CCCCC1
MolPort-004-769-274 0.90 CC(C)[C@@H]1CCC[C@H]1C(O)=O
MolPort-044-184-397 0.90 OC(=O)CCC1CC(=O)C1
MolPort-006-122-224 0.90 [K+].CCCCCCCCCCCCCCCCC([O-])=O
MolPort-044-197-320 0.90 CCC1CCCC1(C)C(O)=O
MolPort-006-122-172 0.90 [Na+].[Na+].[O-]C(=O)CCCCCCCCC([O-])=O
MolPort-006-122-171 0.90 [Na+].[Na+].[O-]C(=O)CCCCCCCC([O-])=O
MolPort-044-203-361 0.90 CC1CC1C1CC1C(O)=O
MolPort-002-525-476 0.90 CC(=O)[C@H]1CCC2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-044-422-170 0.90 C[C@@H]1CCC[C@H]1C(O)=O
MolPort-012-857-960 0.90 CCCC(CC1CCCC1)C(O)=O
MolPort-025-497-475 0.90 CC(CC1CCC1)C(O)=O
MolPort-012-857-961 0.90 CC(C)C(CC1CCCC1)C(O)=O
MolPort-013-430-121 0.90 OC(=O)C1(CC2CCCC2)CCCC1
MolPort-035-775-169 0.90 OC(=O)C1CC2CC(=O)CC2C1
MolPort-003-936-334 0.90 [Co++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-003-936-337 0.90 [Ni++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-003-937-787 0.90 [Na+].CCCCCCCCCCCC([O-])=O
MolPort-027-455-571 0.90 CC(C)C1(O)CCC(=O)CC1
MolPort-027-455-458 0.90 CCCCC1(O)CCC(=O)CC1
MolPort-042-683-286 0.90 CC(C)C[C@@H]1C[C@H]1C(O)=O
MolPort-008-322-984 0.90 CC1CC(=O)CC2CCC3C4CCC(O)C4(C)CCC3C12C
MolPort-027-949-535 0.90 [Cu++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-013-430-087 0.90 CCC1(CCCC1)C(O)=O
MolPort-003-959-533 0.90 [Sn++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-013-430-086 0.90 CC(C)CC1(CCCC1)C(O)=O
MolPort-026-972-465 0.90 CC1(C)CCCC1CC(O)=O
MolPort-027-898-300 0.90 CC1CCC(CCCC(O)=O)C1(C)C
MolPort-034-090-666 0.90 OC(=O)C1(CCC1)C1CCC1
MolPort-027-949-054 0.90 CC1(C)CC(O)CCC1=O
MolPort-003-919-765 0.90 [Ca++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-020-969-074 0.90 OC(=O)C1CC2(CCC2)C1
MolPort-009-019-389 0.90 CCCCCCC1CC1CCCCCCCCCC(O)=O
MolPort-046-511-040 0.90 OC(=O)CC1CC2(CCC2)C1
MolPort-046-672-476 0.90 CC(C)CCC12CC(C1)(C2)C(O)=O
MolPort-046-793-028 0.90 [2H]C1([2H])C[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC[C@H]2C([2H])([2H])[C@]1([2H])O
MolPort-046-672-147 0.90 CC(C)CC12CC(C1)(C2)C(O)=O
MolPort-046-658-124 0.90 C[C@H](CC1CCCCCC1)C(O)=O
MolPort-000-871-626 0.90 OC(=O)CCC1CCCC1
MolPort-046-761-043 0.90 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)[C@@](C)(O)[C@@H]3CC[C@@]12C
MolPort-022-366-787 0.90 CC1CCCC1(C)C(O)=O
MolPort-046-672-032 0.90 C[C@@H](C1CCCC1C)C(O)=O
MolPort-001-769-833 0.90 OC(=O)CC1CCCC1
MolPort-022-366-777 0.90 CCC1CCCC1C(O)=O
MolPort-046-590-472 0.90 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-046-737-041 0.90 OC(=O)[C@H]1CC[C@@H]2CCC[C@H]12
MolPort-046-703-297 0.90 [Cr+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-001-781-765 0.90 CC(=O)C1(O)CCCCC1
MolPort-046-702-847 0.90 CC(O)CO.CCCCCCCCCCCCCCCC(O)=O.CCCCCCCCCCCCCCCC(O)=O
MolPort-021-997-082 0.90 CC1C(C2CC2)C1C(O)=O
MolPort-046-672-477 0.90 CCCCCC12CC(C1)(C2)C(O)=O
MolPort-046-672-478 0.90 CCC(CC)C12CC(C1)(C2)C(O)=O
MolPort-022-368-238 0.90 OC(=O)C12CCCC1CCC2
MolPort-000-004-647 0.90 CC1CCCC1CC(O)=O
MolPort-046-790-672 0.90 CCC1(O)CCCCC1=O
MolPort-046-674-293 0.90 OC(=O)C1CC2CCCCCCC12
MolPort-002-070-382 0.90 C[C@H]1CC[C@@](C)(C(O)=O)C1(C)C
MolPort-000-004-313 0.90 O[C@@]12C[C@H]3C[C@@H](C1)C(=O)[C@H](C3)C2
MolPort-019-996-790 0.90 CC1(CCCC(O)=O)CC1
MolPort-046-765-906 0.90 OCCO.CCCCCCC(O)CCCCCCCCCCC(O)=O
MolPort-046-153-742 0.90 CC(=O)[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-001-925-103 0.90 OC(=O)C1CC2(C1)CC(C2)C(O)=O
MolPort-046-158-397 0.90 CC1(C)[C@H]2CC[C@@]34CC[C@@H](C[C@H]3[C@]2(C)CCC1=O)[C@](O)(CO)C4
MolPort-022-368-663 0.90 CCCC1CCCC1C(O)=O
MolPort-022-368-584 0.90 OC(=O)CCC1CCC(=O)C1
MolPort-046-162-706 0.90 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-834-253 0.90 CC1(C)C(CC(O)=O)CC1C(O)=O
MolPort-019-903-882 0.90 [Cu++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-046-765-460 0.90 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-000-929-111 0.90 OC(=O)C1C2CCCCCCC12
MolPort-020-168-474 0.90 OC(=O)CCCC1CCCC1
MolPort-046-067-715 0.90 CCC[C@]1(O)CCC2C3CCC4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-019-918-564 0.90 CCC1CCC(CCC(O)=O)C1
MolPort-046-651-931 0.90 C[C@@H](CCC1CC1)C(O)=O
MolPort-046-651-933 0.90 C[C@@H](CC1CC1(C)C)C(O)=O
MolPort-046-651-957 0.90 C[C@H](C1CCCC1)C(O)=O
MolPort-022-151-044 0.90 CCC(CC(O)=O)C1CCC1
MolPort-046-652-231 0.90 C[C@@H](CCC1CCCC1)C(O)=O
MolPort-046-653-353 0.90 C[C@@H](CC1CCCC1)C(O)=O
MolPort-046-659-178 0.90 C[C@@H](C(C1CCC1)C1CCC1)C(O)=O
MolPort-046-683-340 0.90 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-663-435 0.90 C[C@H](CC1CCCC1)C(O)=O
MolPort-046-655-502 0.90 C[C@@H](C1CCCCCC1)C(O)=O
MolPort-046-658-560 0.90 C[C@@H](C(O)=O)C1(C)CCCC1
MolPort-046-657-324 0.90 C[C@@H](CC1CCC1)C(O)=O
MolPort-046-657-332 0.90 C[C@@H](CC1CCCCCC1)C(O)=O
MolPort-046-657-337 0.90 C[C@@H](C1CCC(C)C1)C(O)=O
MolPort-046-657-338 0.90 C[C@H](C(O)=O)C1(C)CCCC1
MolPort-046-658-559 0.90 C[C@H](C1CCC(C)C1)C(O)=O
MolPort-046-660-404 0.90 C[C@H](C(C1CCC1)C1CCC1)C(O)=O
MolPort-022-172-590 0.90 OC(=O)C(C1CCCC1)C1CCCC1
MolPort-046-691-463 0.90 [O--].[O--].[Pb++].[Pb++].[Pb++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-046-651-619 0.90 C[C@@H](C(C1CC1)C1CC1)C(O)=O
MolPort-001-769-692 0.90 OC(=O)C1CCCCCC1
MolPort-046-650-308 0.90 C[C@H](C1CCCC1C)C(O)=O
MolPort-046-650-313 0.90 C[C@H](C(C1CC1)C1CC1)C(O)=O
MolPort-046-662-022 0.90 C[C@H](C1CCCCCC1)C(O)=O
MolPort-046-698-824 0.90 OC(=O)CC1CCC11CCC1
MolPort-046-650-977 0.90 C[C@H](CC1CCC1)C(O)=O
MolPort-046-650-985 0.90 C[C@H](CCC1CC1)C(O)=O
MolPort-021-997-218 0.90 OCCC1CCCCC1=O
MolPort-046-650-987 0.90 C[C@H](CC1CC1(C)C)C(O)=O
MCULE-7552412875 0.90 C1(=O)CCC(O)C(C)C1
MCULE-3221627320 0.90 CC(C=O)(CC1C2CCC(CC2)C1)O
MCULE-4967984413 0.90 C(O)(CC1(CCCC1)C)=O
MCULE-6448726765 0.90 C1(C(O)=O)C(C1)CCCCCCCCCC
MCULE-8708554984 0.90 C(C)(C1(O)CCCCC1)=O
MCULE-9576797353 0.90 CC1(CC(C=O)(CO)CC(C)(C)C1)C
MCULE-8227046407 0.90 [Na+].C(CCCCCCC)([O-])=O
MCULE-8208745989 0.90 [C@@H]1(C(O)=O)[C@@H](C1)CCC
MCULE-8081896644 0.90 C1CC2C(C(=O)O)CC(C)C2C1
MCULE-8509527472 0.90 OC(CCC1CC(=O)C1)=O
MCULE-3221739644 0.90 C(O)(CCC1CCCCCC1)=O
MCULE-3440507024 0.90 C(O)(=O)C1CCC(C(C)C)C1
MCULE-5780532364 0.90 OC(CCC1CCC1)=O
MCULE-8380174359 0.90 OC(C1C2C1CCCCCC2)=O
MCULE-7903672891 0.90 OC(C1CCCCCC1)=O
MCULE-6055179024 0.90 C12(CC1(C)C1CC1)CC2(C)C(O)=O
MCULE-9109541979 0.90 C(O)(=O)C1CCC(CC)C1
MCULE-6479939893 0.90 C12(CC1)C(C12CC1)C(O)=O
MCULE-2288172396 0.90 C1C(=O)C(C)(CO)CCC1
MCULE-4205911962 0.90 C12(C)CCC(CC1CCC1C2CCC2(C1CCC2O)C)=O
MCULE-2836000514 0.90 C1(C)(C2CC2)CC1C(O)=O
MCULE-7343168938 0.90 C(O)(=O)C1(CCCC1)CCCC(O)=O
MCULE-9638168645 0.90 C(O)(CCCCCCCCC(O)CO)=O
MCULE-9819507221 0.90 CC(C(O)=O)C1C(C)CCCCC1
MCULE-5183517548 0.90 OC(C1C2CC3CC(C2)CC1C3)CC=O
MCULE-2720595773 0.90 [Na+].C(CCCCCCCCC)([O-])=O
MCULE-3247091796 0.90 OC(CC1CCCCCC1)=O
MCULE-2970673848 0.90 C1C2([H])CCC3([H])CC(C(O)=O)C([H])(C23[H])C1
MCULE-5656602965 0.90 CCC1(C(O)=O)CCCC1
MCULE-6556565861 0.90 C12(C)CCC3(C([H])(CCC4([H])CC(O)CCC34C)C1([H])CCC2C(C)=O)[H]
MCULE-6892410444 0.90 OC(C1(CC2(CCC2)C1)CC1CCC1)=O
MCULE-5804605224 0.90 CCC(C1C(C(O)=O)C1)(C)C
MCULE-5516862845 0.90 CC(CC1(C(O)=O)CCCC1)C
MCULE-4197673100 0.90 CCC(C1C(C)(C)C1C(O)=O)(C)C
MCULE-1492543766 0.90 CCCC1C(C(=O)O)CCC1
MCULE-6572964179 0.90 C1(C(O)=O)C(C1)CCCCCCCC
MCULE-5802736245 0.90 CC(C(O)=O)C1CCCC1
MCULE-1123889262 0.90 CCC1C(C(C(O)=O)C)CCCCC1
MCULE-8596451214 0.90 CC(C1C(CC(O)=O)CCCCC1)C
MCULE-2597081845 0.90 CC(C1C(C(C(O)=O)C)CCCCC1)C
MCULE-7036927394 0.90 CC1C(CC(O)=O)CCCCC1
MCULE-9682126491 0.90 CCC1C(CC(O)=O)CCCCC1
MCULE-7671789691 0.90 OC(C1CC2(CC3(CCC3)C2)C1)=O
MCULE-5035487716 0.90 OC(C=O)CC1C2CCC(CC2)C1
MCULE-5584455342 0.90 [H]C12CC(O)CCC1(C)C1CCC3(C)CC(CC3C1CC2)=O
MCULE-9345456808 0.90 [O-]C(C(CC)CCCC)=O.[Na+]
MCULE-1344194777 0.90 O=C(O)CCCCCCCC(O)C(O)CCCCCCCC
MCULE-1638115728 0.90 C1(C2CC2)(C2CC2)CC1C(O)=O
MCULE-7080718005 0.90 OC(C1CC2(CC(=O)C2)C1)=O
MCULE-7482939596 0.90 C1CC(=O)C2CCCCC2(O)CCC1
MCULE-1479341147 0.90 CC(C1C(O)(C)CCCC1)(C=O)C
MCULE-8902130861 0.90 C(O)(CC1CC(C(O)C)C1(C)C)=O
MCULE-2987899692 0.90 [Na+].C(CCCCCC([O-])=O)CCCCCCCCCCC
MCULE-1144684182 0.90 CCC(C(O)=O)CC1CCCC1
MCULE-7711081081 0.90 C(CO)(C1CCCCC1)=O
MCULE-6848931753 0.90 OC(C1C(C2CC2)C1)=O
MCULE-4496146206 0.90 CC(C(CC1C2CCC(CC2)C1)=O)O
MCULE-1523208411 0.90 C(=O)CC(C1CCCCC1)O
MCULE-2712956835 0.90 CC1CC(CC(O)=O)CC1
MCULE-1336748609 0.90 C(CCCCC(O)=O)(O)=O
MCULE-6533628152 0.90 C(=O)(C(C)(C)CCCC)O
MCULE-4815270992 0.90 C(O)(=O)CC(CCC(O)=O)C(C)(C)C
MCULE-3645348479 0.90 CC(C)CCCC(=O)O
MCULE-6179333060 0.90 CC(CCC(=O)O)(CC(O)=O)C
MCULE-6233646557 0.90 C(O)(=O)C(C)(C)CCC(C)C
MCULE-7525360323 0.90 C(O)(=O)C[C@H](C)CCC(O)=O
MCULE-7933263354 0.90 CCCCC(C)C(=O)O
MCULE-2659832762 0.90 CC(CCCC(O)=O)(C)C
MCULE-6189870651 0.90 CC(CC(CC(O)=O)C)C
MCULE-5086680455 0.90 O=CCC(C)CCCC(C)(C)O
MCULE-6002154473 0.90 CCCC(CC(O)=O)C
MCULE-3830406639 0.90 C([O-])(=O)CCCCC([O-])=O.[NH4+].[NH4+]
MCULE-7716353443 0.90 C(CC)(CCC)CC(=O)O
MCULE-9287211000 0.90 CC(=O)CCCCCO
MCULE-1597063738 0.90 CC(C(=O)O)CCC(C)(C)C
MCULE-1671810139 0.90 CCCCCC(O)=O
MCULE-3472003458 0.90 CCCC(CC(=O)O)(C)C
MCULE-7386549049 0.90 CC(CC(O)=O)CCC(O)=O
MCULE-6835808948 0.90 C(O)(CC(C)CC(C)(C)C)=O
MCULE-9202536119 0.90 C(O)(=O)CCCCCO
MCULE-9270270979 0.90 CCC(CCC(=O)O)C
MCULE-3899498850 0.90 CC(C(C(CC(O)=O)C)C)C
MCULE-1417799876 0.90 C(C)(C)(CC(C)(C)CC(O)=O)C(O)=O
MCULE-8006135826 0.90 C(C)(C)(CCC(O)=O)C(C)(C)C
MCULE-4961834405 0.90 C1(C)(C)C(C1CC(O)=O)CC(C)=O
MCULE-7650537157 0.90 CC1(C(C2C(=O)CCCC2)CCCC1)O
MCULE-2218780681 0.90 C12C(=O)C3CC4C5CC(CC1C5C3)(O)CC42
MCULE-9514162901 0.90 [O-]C(=O)CCCCCCCCCCCCCCCC.[Cu+2].[O-]C(=O)CCCCCCCCCCCCCCC
MCULE-6599303223 0.90 O=C(CCCCCCCCCCCCCCCCC)[O-].[Li+]
MCULE-9612285514 0.90 CC(C(C[C@H]1[C@@](O)(C)CCCC1)=O)(C)C
MCULE-2163006426 0.90 CC(C(CC1C(O)(C)CCCC1)=O)(C)C
MCULE-7271238373 0.90 [C@@H]1(C(O)=O)[C@@H](C1)CCC
MCULE-6405828438 0.90 O=C(C(CCCC)CC)[O-].[K+]
MCULE-4580682391 0.90 C(O)(=O)C1CCCC1(C)C
MCULE-7945361619 0.90 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2(C)O
MCULE-7624266563 0.90 C1(CC(C1)CC(C)C)C(O)=O
MCULE-5987413622 0.90 [C@]12(C)CCC(C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
MCULE-1928231659 0.90 C1(=O)C2CCCC1CC(CO)C2
MCULE-5438762359 0.90 C1(CCCC1)C(CCCCCCC(=O)O)=O
MCULE-8065891945 0.90 [C@@H]1(C(O)=O)C[C@H](CC(C)C)C1
MCULE-8633773099 0.90 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CC3C1CC2)C(C)=O
MCULE-2200666200 0.90 [H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1C(O)C2)C(C)=O
MCULE-1034129697 0.90 CC1C(CC(O)=O)CCC1
MCULE-6298023012 0.90 C1(CCCC1)C(CCCCCC(=O)O)=O
MCULE-7873290711 0.90 [Na+].C(CCCCCCCCCCC)(=O)[O-]
MCULE-3005745030 0.90 C1(CCCC1)C(=O)CCCCC(=O)O
MCULE-6487088973 0.90 C(CCCCCCC[C@@H](O)[C@H](CCCCCCO)O)(O)=O
MCULE-2621146934 0.90 O=C1CCC2(C3CCC4(C)C(O)CCC4C3CCC2(C1)[H])[H]
MCULE-4583118303 0.90 C(O)(CCC1CCCC1)=O
MCULE-8348402050 0.90 O=C(O)CC1CC1CC(O)=O
MCULE-6858805688 0.90 C1(C(=O)CCCCCCC(=O)O)CC1
MCULE-3748140103 0.90 C1(C)(C)C(C)CCC1CC(O)=O
MCULE-7204549799 0.90 C1(C)(C)C(C)CCC1C(O)=O
MCULE-7103968702 0.90 C1(C)(CCC(C)C1(C)C)C(O)=O
MCULE-7182602664 0.90 C(O)(=O)C1CC(C1)CCC
MCULE-4992660180 0.90 [H]C12CC(O)CCC1(C)C1C(CC3(C)CCCC3C1CC2)=O
MCULE-4178685012 0.90 C1(CCC(CC1)CO)=O
MCULE-7278733419 0.90 CC([C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC[C@]2([C@@]1(CC[C@](O)(C)C2)[H])[H])[H])[H])C)[H])[H])=O
MCULE-1094777212 0.90 O=C(CCCCCCC[C@H]([C@H](CCCCCCO)O)O)O
MCULE-8310250581 0.90 C12(C)CC(CC1CCC1C2CCC2(C1CCC2O)C)=O
MCULE-3558477364 0.90 CC(C(CC1C2CCC(CC2)C1)=O)(O)C
MCULE-7908301885 0.90 CC1(CC(C=O)(CCO)CC(C)(C)C1)C
MCULE-6613103459 0.90 O=C1CC2(C)C3CCC4(C)C(O)CCC4C3CCC2(CC1)[H]
MCULE-8997456647 0.90 C1(CC2C(CCC2)C1)C(O)=O
MCULE-3613551080 0.90 OC(C1C2CCC(CC2)C1)CC=O
MCULE-8870026883 0.90 CC(C(CC1C(O)(C)CCCC1)=O)C
MCULE-5737299312 0.90 C1(CCCC)CC1C(=O)O
MCULE-9232306834 0.90 C1(C(CCCCCC(=O)O)=O)CC1
MCULE-8446882016 0.90 C1(C(=O)CCCCCCC(=O)O)CCC1
MCULE-5732276352 0.90 OCC1CC(=O)CCC1
MCULE-2038524800 0.90 CC(C12CC3CC(C1)(CC(C3)C2)O)=O
MCULE-6576387277 0.90 C(O)(=O)C1CC(C1)CCCCC
MCULE-2518004519 0.90 CC(C(C(C)=O)C1C(O)(C)CCCC1)C
MCULE-1554272472 0.90 C1(C(CCCCC(=O)O)=O)CCC1
MCULE-8392329452 0.90 C1(C(=O)CCCCCC(=O)O)CCC1
MCULE-2631156026 0.90 C1(C)(C)C(CCC(O)=O)CC1C(C)=O
MCULE-5150428001 0.90 C(O)(=O)C1CCCC1C
MCULE-1448060038 0.90 CCC[C@H]1[C@H](C(O)=O)C1
MCULE-3621765531 0.90 C1(CC1)C(CCCCC(=O)O)=O
MCULE-5400491867 0.90 C12(C)C(C)CC(CC1CCC1C2CCC2(C1CCC2O)C)=O
MCULE-8822456730 0.90 CC(C[C@H]1[C@@](O)(C)CCCC1)=O
MCULE-7459037200 0.90 CCC(C[C@H]1[C@@](O)(C)CCCC1)=O
MCULE-7729446908 0.90 CC(C(C[C@H]1[C@@](O)(C)CCCC1)=O)C
MCULE-7481548294 0.90 CC(C(C1(C(O)=O)CC2(CCC2)C1)C)C
MCULE-9872492017 0.90 OC(CCC1(CC1)CCC(=O)O)=O
MCULE-7544649275 0.90 CCC(C(C)=O)C1C(O)(C)CCCC1
MCULE-1657247474 0.90 C1(C(O)=O)C(C)C(C1)CC
MCULE-6624307387 0.90 C1(C(O)=O)C(C)CCC1C(C)C
MCULE-4806292195 0.90 CCCCCCCCCCCCCCCCC(=O)[O-].[K+]
MCULE-9334034494 0.90 [Na+].[Na+].O=C(CC(CCCCCCCCCCC(CC(=O)[O-])(C)C)(C)C)[O-]
MCULE-7372610042 0.90 CCC(C1(C(O)=O)CC2(CCC2)C1)C
MCULE-3386019812 0.90 CC(C1(C(O)=O)CC2(CCC2)C1)C
MCULE-9835494412 0.90 CCCC1(C(O)=O)CC2(CCC2)C1
MCULE-2339165842 0.90 CC(CC1(C(O)=O)CC2(CCC2)C1)C
MCULE-5914584144 0.90 OC(C1(C2CCC2)CC2(CCC2)C1)=O
MCULE-5978149677 0.90 C(CCCCCCCC(O)C(CCCCCCO)O)(O)=O
MCULE-6336675539 0.90 C[C@]12CC[C@@]3([H])[C@](CC[C@@]4([C@]3(C)CCC(=O)C4)[H])([H])[C@]1([H])CC[C@@]2(O)C
MCULE-8778544836 0.90 CCC(C(C1C(O)(C)CCCC1)C)=O
MCULE-1658926069 0.90 CC(=O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])CC3)[H])([H])CC1
MCULE-2134315765 0.90 CCC1C(C(O)=O)CCC1
MCULE-3149463709 0.90 CC1C(C(O)=O)(C)CCC1
MCULE-9614200331 0.90 C(CCCCCCC([O-])=O)CCCCCCCCCCCCCC.[Na+]
MCULE-7732527811 0.90 C1(C(O)=O)C(C)C(C1)CCC
MCULE-9026337383 0.90 C([O-])(=O)CCCCCCCCC([O-])=O.[Na+].[Na+]
MCULE-2203052145 0.90 C1(C(O)=O)C(C)C(C1)CCCC
MCULE-4165609840 0.90 C1(C(O)=O)C(C)C(C1)CC(C)C
MCULE-6312041635 0.90 C(O)(=O)C(CCCCC)C1CCC1
MCULE-7606289378 0.90 [C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CC[C@@]1([H])C[C@@H](O)CC[C@]21C)C(=O)C
MCULE-3541124583 0.90 [C@]12(C)CCC3C(CCC4CC(=O)CC[C@]34C)C1CC[C@]2(CCC)O
MCULE-5465054616 0.90 C1(=O)CC(C(O)CC1C(C)(C)C)C(C)(C)C
MCULE-6249269089 0.90 C([O-])(=O)CCCCCCCCCCCCCCCCC.[K+]
MCULE-3302391414 0.90 C(O)(CCCCCC)CCCCCCCCCCC([O-])=O.[Li+]
MCULE-4320686287 0.90 C1(CC(=O)O)CC(C(O)=O)C1(C)C
MCULE-4740416028 0.90 CC(C(O)=O)CC1CCCC1
MCULE-5655752018 0.90 OC(CC(C1CC1)C1CC1)=O
MCULE-3887237095 0.90 CCCC(C(O)=O)CC1CCCC1
MCULE-1354933271 0.90 C1(=O)C(C(C)C)CCC(C)C1CO
MCULE-7479563184 0.90 CC(C(C(O)=O)CC1CCCC1)C
MCULE-7184225269 0.90 C1(CO)C(C(C)C)CCC(C)C1=O
MCULE-1345678838 0.90 O=C1CCCCC1CO
MCULE-2058177079 0.90 C1(O)(C(C)=O)C(C)CCC(C(C)C)C1
MCULE-3078802864 0.90 C12(C)CCCC(C)(C)C1CCC(C)(O)C2CC(C)=O
MCULE-8866498627 0.90 CC(=O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@@](C[C@@](CC2)(O)C)([H])CC3)[H])([H])CC1
MCULE-9954307293 0.90 C12(CC3(C1)CC(C3)=O)CC(C2)C(O)=O
MCULE-3652637384 0.90 [C@@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)CC2
MCULE-8933410348 0.90 CC1(CC2(CC(C(O)=O)C2)C1)C
MCULE-5864042542 0.90 C12CCC3C(C3CCC1C2C(O)=O)C(O)=O
MCULE-5825722771 0.90 C1C2CC3C(=O)C(CC1(O)C3)C2
MCULE-4957612029 0.90 OC(CCCCCCCCC1CC1)=O
MCULE-4964737509 0.90 C(O)(CCC1CC(C1)C)=O
MCULE-7756283537 0.90 C(O)(=O)C(C1CCC1)CCC(C)C
MCULE-6057419330 0.90 C(O)(=O)C(C1CCC1)CC(C)C
MCULE-2727395246 0.90 C1(CC1C(O)=O)C1CC1C1CC1
MCULE-2747094328 0.90 [C@]12(C)C(CCC3C1CC[C@]1(C3CC[C@]1(CCC)O)C)CC([C@H](C)C2)=O
MCULE-3017983928 0.90 O=C1CCC(O)CC1(C)C
MCULE-3772278824 0.90 CC1CC(CC(CO)(C)C)C(=O)CC1
MCULE-7576071127 0.90 C1(C)(CCC(C)C1(C)C)CC(O)=O
MCULE-6729438541 0.90 CC([C@H]1[C@@](O)(C)CCCC1)(C=O)C
MCULE-4630655156 0.90 C1(C)(C)C(C)CCC1(C)CCC(O)=O
MCULE-7259921965 0.90 CCC(C1C(O)(C)CCCC1)(C=O)C
MCULE-1115751804 0.90 C(O)(CC1CCCC1)=O
MCULE-5557476240 0.90 C(=O)(C(C)(C)C)CC1(CCCCC1)O
MCULE-1847699321 0.90 CC(=O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@@](C[C@@H](CC2)O)([H])CC3)[H])([H])CC1
MCULE-2555279569 0.90 C[C@]12CC[C@@]3([H])[C@](CC[C@@]4([C@]3(C)CCC(=O)C4)[H])([H])[C@]1([H])CC[C@@H]2O
MCULE-4306276668 0.90 [K+].C(CCC([O-])=O)CCCCCCCC
MCULE-5371999709 0.90 C(O)(=O)C1CC(C1)CCCC
MCULE-6634735984 0.90 [C@H]1(C(O)=O)[C@H](C1)CCC
MCULE-8611525083 0.90 CC(CC1C(O)(C)CCCC1)=O
MCULE-8306152675 0.90 O=C1CCCCC1C1(CCCCC1)O
MCULE-3308182794 0.90 CC(C(C)=O)C1C(O)(C)CCCC1
MCULE-7323691528 0.90 CCC(CC1C(O)(C)CCCC1)=O
MCULE-7103790332 0.90 C(CCCCCCCCCCCCC)(=O)[O-].[Na+]
MCULE-7367162008 0.90 CC(C[C@H]1[C@H](C(O)=O)C1)C
MCULE-8579431063 0.90 [C@]12(C)CCC3[C@@]([H])(CCC4C[C@H](O)CC[C@]34C)C1CC[C@@H]2C(C)=O
MCULE-7468358153 0.90 C1(CC(C1)C1CCC1)C(O)=O
MCULE-4385009096 0.90 C1(CC2(C1)CCC2)C(O)=O
MCULE-1406337947 0.90 [H][C@@]12CC[C@]3([H])[C@@](CC[C@]4([C@@]3([H])CC[C@@H]4C(=O)C)C)([H])[C@@]1(C)CC[C@@H](O)C2
MCULE-3584192725 0.90 CC1(C(O)=O)CCCCCC1
MCULE-7558909521 0.90 OC(C1C2C(CCCCCC2)C1)=O
MCULE-2041194559 0.90 CCC1(C(O)=O)CC2(CCC2)C1
MCULE-8864350466 0.90 C(O)(=O)C(CCCC)C1CCC1
MCULE-8474983446 0.90 C(O)(=O)C(C(C)C)C1CCC1
MCULE-1912808272 0.90 C1(C)(C)CCCC1CC(O)=O
MCULE-1711655800 0.90 C(CCCC)CC([O-])=O.[Na+]
MCULE-7786325094 0.90 C(O)(=O)C(CCC)C1CCC1
MCULE-1077439841 0.90 C(CCC([O-])=O)CCCCC.[Na+]
MCULE-9753015259 0.90 C12(CC1)CC2CC(O)=O
MCULE-8462784528 0.90 O=C(CCCCCCCC1CC1CC1CC1CCCCC)O
MCULE-7104580455 0.90 C1(C(CCCC)C(O)=O)CC1
MCULE-2954866291 0.90 O=C(CCCC1(CC1)C)O
MCULE-6389767396 0.90 C(O)(=O)C(CC)C1CCC1
MCULE-2229659445 0.90 CC1(CCC(=O)CC1)O
MCULE-2394985147 0.90 C1(C)(C)C(CC(O)=O)CC1C(C)=O
MCULE-5735094397 0.90 OC(CCCC1CCCC1)=O
MCULE-3458805808 0.90 [C@@]12(C=O)CC[C@@](O)(CC1)CC2
MCULE-1576448380 0.90 C[C@@]12[C@@]3([H])CC[C@]4(C)[C@@H](C(=O)C)CC[C@@]4([H])[C@]3([H])CC[C@]1(C[C@@](C)(CC2)O)[H]
MCULE-6070862965 0.90 C12(CC3CC(CC(C3)C1)C2)C(C(C)O)=O
MolPort-046-650-970 0.90 CC(CC(C)(C)C)C(C)C(O)=O
MolPort-046-159-716 0.90 C[C@@H](CCC(C)(C)C)C(O)=O
MolPort-006-136-884 0.90 CCC(C)CC(C)C(O)=O
MolPort-001-493-184 0.90 CC(C)(C)C(CCC(O)=O)CC(O)=O
MolPort-030-086-570 0.90 CCCC[C@H](C)C(O)=O
MolPort-046-650-669 0.90 CCCC(C)[C@@H](C)C(O)=O
MolPort-046-650-670 0.90 CC(C)CC(C)[C@@H](C)C(O)=O
MolPort-006-115-293 0.90 [NH4+].[NH4+].[O-]C(=O)CCCCC([O-])=O
MolPort-003-933-250 0.90 [2H]OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[2H]
MolPort-046-672-037 0.90 CCC(C)C[C@H](C)C(O)=O
MolPort-046-651-920 0.90 CCCC(CC)[C@H](C)C(O)=O
MolPort-046-691-259 0.90 O[13C](=O)[13CH2][13CH2][13CH2][13CH2][13C](O)=O
MolPort-046-651-911 0.90 CC(C)CC(C)[C@H](C)C(O)=O
MolPort-001-769-761 0.90 CCCCCC(O)=O
MolPort-046-765-831 0.90 [2H]C([2H])(C(O)=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
MolPort-046-672-019 0.90 CCCC(CC)[C@@H](C)C(O)=O
MolPort-006-022-396 0.90 CCCC(C)CC(O)=O
MolPort-046-651-611 0.90 CC(CC(C)(C)C)[C@H](C)C(O)=O
MolPort-006-124-344 0.90 CC(C)(C)CCCC(O)=O
MolPort-006-022-388 0.90 CC(C)CC(C)CC(O)=O
MolPort-001-760-742 0.90 C[C@H](CCC(O)=O)CC(O)=O
MolPort-027-631-804 0.90 CCCC(C)(C)CC(O)=O
MolPort-046-765-893 0.90 [2H]C([2H])(CC(O)=O)C([2H])([2H])CC(O)=O
MolPort-046-637-311 0.90 CC(C)C(C)C(C)CC(O)=O
MolPort-046-148-141 0.90 OCCCCCCCC=O
MolPort-000-154-816 0.90 CCCCC(C)(C)C(O)=O
MolPort-046-650-676 0.90 CCC(C)C[C@@H](C)C(O)=O
MolPort-046-662-019 0.90 CC(CC(C)(C)C)[C@@H](C)C(O)=O
MolPort-003-936-762 0.90 CCC(C)CCC(O)=O
MolPort-045-998-047 0.90 CCCC[C@@H](C)C(O)=O
MolPort-001-794-939 0.90 CC(C)CCCC(O)=O
MolPort-046-656-869 0.90 CCCC(C)[C@H](C)C(O)=O
MolPort-001-791-921 0.90 CC(CCCC(C)(C)O)CC=O
MolPort-022-367-029 0.90 CCCC(CC)CC(O)=O
MolPort-009-198-379 0.90 OCCCCCC(O)=O
MolPort-046-229-377 0.90 CCC(C)(C)C(C)CC(O)=O
MolPort-001-792-262 0.90 CC(CC(O)=O)CC(C)(C)C
MolPort-014-088-657 0.90 CC(CCC(C)(C)C)C(O)=O
MolPort-046-761-320 0.90 [2H]C([2H])([2H])C([2H])([2H])CCCC(O)=O
MolPort-046-657-182 0.90 C[C@H](CCC(C)(C)C)C(O)=O
MolPort-039-242-775 0.90 CC(=O)CCCC(C)(C)CO
MolPort-018-682-596 0.90 OC(=O)CCCCC=O
MolPort-001-788-496 0.90 CCCCC(C)C(O)=O
MolPort-000-872-003 0.90 OC(=O)CCCCC(O)=O
MolPort-002-498-948 0.90 CC(CCC(O)=O)CC(O)=O
MCULE-6279247899 0.87 C12CC3C4C(C(=O)O)CC3C1C24
MCULE-7394880278 0.87 C1(C)(CC(O)=O)C2CCC1(C)C(C2)O
MCULE-3238931854 0.87 OC(C1CC(C2CCCCC2)(O)C1)=O
MCULE-9506589203 0.87 [C@H]1(CCCC[C@@H]1C(O)=O)C(O)=O
MCULE-4388374834 0.87 C12(C(O)=O)CCCC(C1=O)CCCC2
MCULE-1845982880 0.87 C12CC(C[C@H]1O)C[C@H]2C(=O)O
MCULE-5353614084 0.87 C[C@H](CCC(=O)[O-])[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C[C@@H]3O)[H])([H])CC1.[Na+]
MCULE-7283682823 0.87 C12(CC(CC1)CC2O)C(O)=O
MCULE-1913862273 0.87 O[C@H]1[C@@H](O)[C@H]2C[C@H](C[C@H](C(O)=O)C2)C1
MCULE-3320078169 0.87 C12CC(CC1C(O)=O)C(=O)C2
MCULE-9413167290 0.87 C12(CCC(CC1O)C2(C)C)C(O)=O
MCULE-4791370244 0.87 CC(C1(CCC2(CC2)CC1)O)(C(O)=O)C
MCULE-9443303762 0.87 CC(C1(C2(CCCCC2)CC1)O)C(O)=O
MCULE-7196171464 0.87 OC(C1CC(C(O)=O)CCC1)=O
MCULE-2724317446 0.87 C1(CC(C(C)(C)C)CC(C(O)=O)C1)C(O)=O
MCULE-4412989829 0.87 C12(CC3CC(CC)(CC(C3)(C(O)=O)C1)C2)C(O)=O
MCULE-2274617868 0.87 C12(CCC(C(C)(C)C1C=O)C2)C(O)=O
MCULE-6072815986 0.87 CC(C(O)=O)(C1C2(CCCCC2)CC1)O
MCULE-6887204405 0.87 C(O)(CCC1(C)C2CCC3(C)C(CCC3C2CCC1=O)C(C)(O)[H])=O
MCULE-8771344093 0.87 C12(CCC(CC1=O)C2(C)C)C(O)=O
MCULE-2183676762 0.87 [Na+].[C@@]12(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(C[C@H]1O)[H])O)C[C@@H]2O)[H]
MCULE-6655748714 0.87 OC(CCC1(C2(CCCCC2)CC1)O)=O
MCULE-3185409075 0.87 C1(CCCCC1C(O)=O)C(O)=O
MCULE-3142880471 0.87 C[C@@]1([C@H](C2(C(O)=O)CCC2)CCCC1)O
MCULE-7315583038 0.87 OC(C1(CCC1)CC1CC2C(C2)CC1)=O
MCULE-9648528247 0.87 C12(CC3CC(CC(C3)C1)C2)C(C(O)=O)C(O)=O
MCULE-1338202684 0.87 [C@@]1(C)(C[C@@](C)(C[C@](C)(C(O)=O)C1)C(O)=O)C(O)=O
MCULE-4011811531 0.87 C1(CCCCC1)(C(O)=O)C(O)=O
MCULE-6808948918 0.87 OC(C1(CCC2(CC2)CC1)O)=O
MCULE-4848878024 0.87 OC(CC1(CCC2(CC2)CC1)O)=O
MCULE-6154591690 0.87 C1(CCCCC1)(CC(O)=O)C(O)=O
MCULE-2066407045 0.87 [C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@]1(CCCCC1=O)C
MCULE-5717394365 0.87 OC(CCC1(CCC2(CC2)CC1)O)=O
MCULE-7695129098 0.87 C12CC(C(O)C1)CC2C(O)=O
MCULE-4690990385 0.87 C1CCC2C(C(O)=O)C(C(O)=O)C3CCCCC3C2C1
MCULE-6458890062 0.87 OC(C1C2(CC3CC(CC3)C2)C1)=O
MCULE-1184405040 0.87 [C@H]1(C(=O)O)CCCC[C@@H]1C(=O)O
MCULE-7294774452 0.87 [Na+].[C@@]12([H])C[C@@H]([C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC([O-])=O)O
MCULE-6451936436 0.87 C1C(C(O)=O)C(C(O)=O)CCC1CCCC(C)C
MCULE-8905557970 0.87 [C@]12(C(=O)O)CC[C@]([H])(CC1=O)C2(C)C
MCULE-9956322297 0.87 CCC(C1(CCC2(CC2)CC1)O)C(O)=O
MCULE-2418790366 0.87 CC1CC(C(O)=O)(C2C(O)CCCC2)C1
MCULE-1309179067 0.87 C12(C)CCC(C(=O)C1=O)C2(C)CCC(O)=O
MCULE-5673828578 0.87 CC1(C2(CC3CC(CC3)C2)C1C(O)=O)C
MCULE-3358575308 0.87 CC1(C(C2(C(O)=O)CCC2)CCCC1)O
MCULE-9946794209 0.87 C12(CCC(C(C)(C)C1CO)C2)C(O)=O
MCULE-3114046336 0.87 C12(C)CCC(C(CC(O)=O)C1=O)C2(C)C
MCULE-3561865284 0.87 O=C(O)C1C(CC(C)CC1)C(O)=O
MCULE-7747323415 0.87 [C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O
MCULE-9820734773 0.87 CC(C1(CCC2(CC2)CC1)O)C(O)=O
MCULE-3301872272 0.87 C1(=O)C(C)CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
MCULE-3098351650 0.87 [C@]12(C)CCC3C(CCC(=O)[C@]3(C)CCC(O)=O)C1CCC2[C@H](C)CCCC(C)C
MCULE-3928038199 0.87 OC(CC1(C(C2CC2)CCCC1)O)=O
MCULE-2154783360 0.87 CC(C1(C(C2CC2)CCCC1)O)C(O)=O
MCULE-4449782615 0.87 O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1
MCULE-4253750674 0.87 O=C1CC2(C)C(CCC2C2CCC3CC(O)CCC3(C)C12)C(O)=O
MCULE-2839833978 0.87 OC(C12CC(CC1=O)CC2)=O
MCULE-9877784302 0.87 O=C(O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)O)C1
MCULE-7528897218 0.87 OC(C1(CCC1)CC1CC2C(C2)C1)=O
MCULE-6618953955 0.87 [Na+].C12(C)CCC3(C([H])(C(O)CC4([H])CC(O)CCC34C)C1([H])CCC2([H])C(C)CCC([O-])=O)[H]
MCULE-6066809185 0.87 OC(CC1(CCCCC1)CC(O)=O)=O
MCULE-9092645789 0.87 C12CC(CC1C(O)=O)CC2O
MCULE-9601771232 0.87 C12CC(CC1C(O)=O)CC2=O
MCULE-8991394896 0.87 [C@]12(C(O)=O)C(C)(C)[C@]([H])(CC1)CC2=O
MCULE-3306746591 0.87 OC([C@@H]1C[C@H](C(O)=O)CCC1)=O
MCULE-9974933236 0.87 C1(CCCCC1=O)C(=O)CCC(=O)O
MCULE-2389227142 0.87 C1[C@@H](O)CC[C@@](CC(=O)O)(O)C1
MCULE-5672767343 0.87 [Na+].C[C@@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C[C@H]3O)[H])([H])CC1)CCC(=O)[O-]
MCULE-6944198613 0.87 C12(CCC(C(C)(C)C1=O)C2)C(O)=O
MCULE-6347358348 0.87 OC(C1(C(C2CC2)CCCC1)O)=O
MCULE-4641416980 0.87 CC1CC(C(O)=O)(CC2CC3C(C3)C2)C1
MCULE-2384733146 0.87 [C@]1(CCC(O)=O)(C(O)=O)CC[C@H](C)CC1
MCULE-2425344927 0.87 [H]C1(CCC2(C3CC(C4(C(C3C(CC2(C1)[H])(O)[H])CCC4(C(CCC([O-])=O)(C)[H])[H])C)(O)[H])C)O.[Na+]
MCULE-6125603126 0.87 C(O)(=O)CCC1C(=O)CC[C@@]2(C)C1CCC2=O
MCULE-7792176240 0.87 C12C(=O)CCC(CC(C(O)=O)C1)C2=O
MCULE-7693917962 0.87 [H]C12CC(O)CCC1(C)C1CC(O)C3(C)C(C(C)C(O)=O)CCC3C1CC2
MCULE-5010456389 0.87 OC(CC1(C2(CCCCC2)CC1)O)=O
MCULE-5053577261 0.87 C12(C)CCC(C(C(O)=O)C1O)C2(C)C
MCULE-4032658081 0.87 OC(C1(C2(CCCCC2)CC1)O)=O
MCULE-1617735058 0.87 OC(C(O)=O)C1C2(CCCCC2)CC1
MCULE-2728645611 0.87 C12(C(O)=O)CC3(CC(C1)C3)C(O)CC2
MCULE-4564542009 0.87 OC1C2(C)C(C(CC(O)=O)C(C3(C)CCC(O)CC3=O)CC2)CC1
MCULE-4368075445 0.87 C(O)(=O)C.C(O)(=O)C.OC1C2(C)C(C(CC(O)=O)C(C3(C)CCC(O)CC3=O)CC2)CC1
MCULE-9459049733 0.87 C(O)(=O)CC1(C(O)=O)CCCC(C)(C)C1
MCULE-2928763866 0.87 C1(CCCC(C)C1)(CC(=O)O)CC(=O)O
MCULE-2587764931 0.87 C1(CCC(C(=O)O)CC1)(CC(=O)O)CC(=O)O
MCULE-9986157056 0.87 C12C3CCC(C3)C1C2C(O)=O
MCULE-2058287343 0.87 [Na+].OCC1(CCCCC1)CC([O-])=O
MCULE-8158708245 0.87 O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1
MCULE-2210992451 0.87 CC1(C(O)=O)CC(C(O)=O)CCC1
MCULE-1326875363 0.87 C1CC2(C(C(C(O)=O)(C)C1)CCC13C2CCC(C(O)(CO)C1)C3)C
MCULE-7536148049 0.87 [C@@]12([H])C(=O)C[C@]3([H])CC(CC[C@]3(C)[C@@]1([H])CC(=O)[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC([O-])=O)=O.[Na+]
MCULE-9442455281 0.87 [C@H]1(C(O)=O)CCC[C@H](C(O)=O)C1
MCULE-2254711716 0.87 C[C@@]1([C@H](C2(C(O)=O)CC2)CCCC1)O
MCULE-8521080491 0.87 C12(CCC(C(C)(C)C1O)C2)C(O)=O
MCULE-4906980900 0.87 [C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O
MCULE-1653903179 0.87 C1(C(=O)O)C2CCC(CC2)C1C(=O)O
MCULE-3191585744 0.87 CC1(C(C2(C(O)=O)CC2)CCCC1)O
MCULE-7718766921 0.87 OC(C1(C2CC(CC2)C1)O)=O
MCULE-9703499208 0.87 C12(CCC(C(O)C1)(C)C2(C)C)CC(O)=O
MCULE-2505840176 0.87 C12(CCC(C(=O)C1)(C)C2(C)C)CC(O)=O
MCULE-3346909877 0.87 [C@H]1(C(O)=O)CCCC[C@@H]1C(O)=O
MCULE-3355575849 0.87 C1(C(=O)O)CC(C(C)CC1C(=O)O)C
MCULE-3717825499 0.87 C12(C)CCC(CC1=O)C2(C)CC(O)=O
MCULE-9430716320 0.87 [Na+].C1(=O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C(=O)C1)(C)[C@@H]([C@H](C)CCC([O-])=O)CC3)C(=O)C2
MCULE-2751748723 0.87 [C@H]1(C(O)=O)CCC[C@H](C(O)=O)C1
MCULE-9461957149 0.87 C12C3C4CC1C1C2(C(O)=O)C3C41
MCULE-5706924248 0.87 [Na+].C([O-])(CCC(C1CCC2C3C(C4(C)CCC(=O)CC4CC3=O)CC(=O)C21C)C)=O
MCULE-3965249925 0.87 [C@@]12(C)CC[C@]([C@H](C(O)=O)[C@@H]1O)([H])C2(C)C
MolPort-023-220-260 0.87 [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-142-137 0.87 O.[Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-156-286 0.87 [Na+].[O-]C(=O)C1CCCCC1=O
MolPort-002-145-963 0.87 CC12CC3(C)CC(C1)(CC(C2)(C3)C(O)=O)C(O)=O
MolPort-046-598-054 0.87 CC1(C)[C@@H](O)C2(CCC1C2)C([O-])=O
MolPort-001-816-071 0.87 OC(=O)C1(CCCCC1)C(O)=O
MolPort-046-472-527 0.87 O[C@@H]1C[C@@H]2C[C@@H](C[C@H](C2)C(O)=O)[C@@H]1O
MolPort-023-213-432 0.87 OC(=O)[C@H]1CCC[C@H](C1)C(O)=O
MolPort-006-666-456 0.87 OC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](C3)(C1)C(O)=O)C2
MolPort-002-585-378 0.87 OC(=O)C12CC3CC(C1)(CC(C3)(C2)C(O)=O)C(O)=O
MolPort-046-419-734 0.87 [Na+].OCC1(CC([O-])=O)CCCCC1
MolPort-000-871-166 0.87 OC(=O)C(C(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-024-582-420 0.87 OC(=O)C1CC(O)(C1)C1CCCCC1
MolPort-000-743-833 0.87 [NH4+].CC1(C)C2CCC1(C)C(O)(CC([O-])=O)C2
MolPort-029-659-558 0.87 OC(=O)[C@@H]1CCC[C@H](C1)C(O)=O
MolPort-029-940-533 0.87 O[C@H]1CC[C@](O)(CC(O)=O)CC1
MolPort-002-910-707 0.87 O[C@@H]1CC2CC1[C@@H](C2)C(O)=O
MolPort-029-660-487 0.87 OC(=O)C12CCCC1CC(=O)CC2
MolPort-021-804-732 0.87 CC12CC34CC1C2CC3C1(C)CCCC(C)(C1CC4)C(O)=O
MolPort-002-028-169 0.87 OC(=O)C1C2C1C1CCC2C1
MolPort-046-196-910 0.87 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-002-995-999 0.87 OC(=O)C1CCCC(C1)C(O)=O
MolPort-029-701-927 0.87 OCC12CCC(CC1)(C2)C(O)=O
MolPort-044-175-468 0.87 CC(O)=O.CC(O)=O.CC12CCC(C(CC(O)=O)C1CCC2O)C1(C)CCC(O)CC1=O
MolPort-000-006-323 0.87 C[C@]1(C[C@@](C)(C[C@@](C)(C1)C(O)=O)C(O)=O)C(O)=O
MolPort-027-837-432 0.87 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-002-832-069 0.87 OC(=O)CC1(CC(O)=O)CCCCC1
MolPort-002-894-306 0.87 CC1CC([C@@H](CC1C)C(O)=O)C(O)=O
MolPort-039-241-472 0.87 OC(=O)C1C[C@@H]2C[C@H]1C(=O)C2
MolPort-039-052-504 0.87 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3)C(O)=O
MolPort-002-800-594 0.87 CC(C)(C)C1CC(CC(C1)C(O)=O)C(O)=O
MolPort-039-241-623 0.87 CC1(CCCC(C1)C(O)=O)C(O)=O
MolPort-002-253-622 0.87 CCC12CC3CC(C1)(CC(C3)(C2)C(O)=O)C(O)=O
MolPort-000-653-410 0.87 OC(=O)C12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-005-945-147 0.87 CC(C)C(=O)C1(CCC(C)C(=O)C1)C(C)CC(O)=O
MolPort-001-917-465 0.87 OC(=O)C12CCCC(CCC1)(C2)C(O)=O
MolPort-001-816-352 0.87 OC(=O)[C@H]1CCCC[C@H]1C(O)=O
MolPort-000-422-028 0.87 CC1(C)C2CCC(C2)(C(O)=O)C1=O
MolPort-000-882-475 0.87 OC(=O)CC1(CCCCC1)C(O)=O
MolPort-022-368-181 0.87 OC(=O)C12CCC(CC1=O)C2
MolPort-002-894-305 0.87 CC1CC(C(CC1C)C(O)=O)C(O)=O
MolPort-046-510-690 0.87 OC(=O)[C@@H]1C[C@H]2C[C@@H]1CC2=O
MolPort-001-792-996 0.87 OC(=O)[C@H]1CCCC[C@@H]1C(O)=O
MolPort-001-740-302 0.87 CC12CCCC(C)(C1CCC13CC(CCC21)C(O)(CO)C3)C(O)=O
MolPort-044-729-708 0.87 OC(=O)[C@@H]1[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1
MolPort-001-741-386 0.87 CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-000-156-701 0.87 CC1(C)C2CCC1(C(O)=O)C(=O)C2
MolPort-002-524-898 0.87 [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-030-005-474 0.87 OC1CCC(O)(CC(O)=O)CC1
MolPort-026-972-192 0.87 OC(=O)C1(O)CC2CCC1C2
MolPort-002-516-250 0.87 CC1(C)C2CCC(C2)([C@@H]1O)C(O)=O
MolPort-002-516-000 0.87 CC(C)CCC[C@@H](C)C1CCC2C3CCC(=O)[C@](C)(CCC(O)=O)C3CC[C@]12C
MolPort-002-512-537 0.87 CC1(C)C2CCC1(C)[C@@](O)(CC([O-])=O)C2
MolPort-000-002-497 0.87 OC(=O)[C@H]1C[C@H](C[C@H](C1)C(O)=O)C(O)=O
MolPort-000-002-496 0.87 OC(=O)C1CC(CC(C1)C(O)=O)C(O)=O
MolPort-000-205-500 0.87 CC1(C)C2CCC(C2)(C([O-])=O)C1=O
MolPort-046-774-922 0.87 OC(=O)CC1CC2CC1C1CC21
MolPort-000-241-547 0.87 CC1(CC(C)(CC(C)(C1)C(O)=O)C(O)=O)C(O)=O
MolPort-003-929-781 0.87 [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
MolPort-008-421-244 0.87 OC(=O)C1CC2CC1C(=O)C2
MolPort-009-757-792 0.87 [NH4+].CC1(C)C2CCC1(C)[C@@](O)(CC([O-])=O)C2
MolPort-020-014-518 0.87 CC1(C)[C@@H]2CC[C@@]1(C(O)=O)C(=O)C2
MolPort-000-652-917 0.87 OC(=O)C1CCCCC1C(O)=O
MolPort-046-069-216 0.87 OC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@](C3)(C1)C(O)=O)C2
MolPort-035-683-192 0.87 CC(C)(O)[C@@H]1CC[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)[C@@H]12)C(O)=O
MolPort-022-004-525 0.87 OC(=O)C1CC2CCCCC(C1)C2=O
MolPort-002-507-158 0.87 [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-044-561-248 0.87 [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-485-353 0.87 OC(=O)C1C2CCC(CC2)C1C(O)=O
MolPort-035-385-911 0.87 OC(=O)C1C2C3CC4C5CC(C2C35)C14
MolPort-035-912-915 0.87 [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-700-840 0.87 O[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(O)=O
MolPort-003-926-535 0.87 OC(=O)[C@@H]1CCCC[C@H]1C(O)=O
MolPort-003-928-900 0.87 O.[Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-026-972-504 0.87 OC(=O)CC1(O)CC2CCC1C2
MolPort-046-693-568 0.87 CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2C(O)=O
MolPort-000-422-121 0.87 CC1(C)C2CCC(C2)(C1O)C(O)=O
MolPort-002-506-380 0.87 CC1(C)C2CCC1(C)C(O)C2C(O)=O
MolPort-044-724-066 0.87 [Na+].CC(CCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
MolPort-044-198-444 0.87 OC(=O)C1CC2CC1C1CC21
MolPort-002-517-277 0.86 CC(=O)[C@H]1CCC2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
MolPort-044-433-170 0.86 OC(=O)C1CCC2CC2CC1
MolPort-002-506-939 0.86 OC12CCCCC1CC1CCC[C@@H]2C1=O
MolPort-029-251-515 0.86 OC(=O)C1CC(C1)C1CC1
MolPort-025-499-172 0.86 OC(=O)C1(CC2CCC2)CC1
MolPort-046-673-376 0.86 CC1C(=O)CC2CCCC1(O)C2
MolPort-002-525-549 0.86 CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-028-951-523 0.86 CCCCC[C@@H](O)CC(O)=O
MolPort-019-904-516 0.86 OC(CCCCCCCCC(O)=O)CC(O)=O
MolPort-000-141-900 0.86 OC(=O)CCC1CCCCCCCCCCC1=O
MolPort-002-911-079 0.86 CC12CCC3C(CC[C@@]4(C)CC(=O)CCC34CO)C1CCC2=O
MolPort-006-671-389 0.86 CC(=O)C(CCC(O)=O)(CCC(O)=O)CCC(O)=O
MolPort-042-646-622 0.86 CC(=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-002-910-686 0.86 OC1C2CC3CC(C2)C(=O)C1C3
MolPort-002-897-174 0.86 CC(=O)C(C)(CCC(O)=O)CCC(O)=O
MolPort-046-415-723 0.86 OC1CCC2CCCC1C2=O
MolPort-006-069-084 0.86 OC(=O)CCCCC(=O)C(O)=O
MolPort-042-624-119 0.86 CC1CC2C3CCC4C[C@@H](O)CCC4(C)C3CCC2(C)C1(O)C(C)=O
MolPort-003-660-131 0.86 CCCCCC(O)C(O)=O
MolPort-003-941-877 0.86 OC(=O)CCC(=O)CCC(O)=O
MolPort-003-941-748 0.86 CCCCCCCCCCCCCCCCC(O)C(O)=O
MolPort-003-941-661 0.86 CCCCCCCCCCCCCC(O)CC(O)=O
MolPort-003-941-657 0.86 CCCCCCCCCCCC(O)CC(O)=O
MolPort-008-751-017 0.86 OC(=O)C1CC11CCCC1
MolPort-046-761-482 0.86 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC(C=O)[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-941-649 0.86 CCCCCC(O)CC(O)=O
MolPort-044-649-695 0.86 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H](CC[C@]3(CO)CC[C@@]12C)C=O.CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H](CC[C@]3(CO)CC[C@@]12C)C=O
MolPort-003-941-643 0.86 CCCCCCCCCC(O)CC(O)=O
MolPort-023-218-181 0.86 CCCC(=O)CCCC(O)=O
MolPort-003-916-816 0.86 CCCCCCCCCCC(O)C(O)=O
MolPort-002-158-325 0.86 CC1CC2C3CCC4CC(O)CCC4(C)C3CCC2(C)C1(O)C(C)=O
MolPort-001-741-230 0.86 CCCCCCCCCCC[C@@H](O)CC(O)=O
MolPort-009-653-415 0.86 O.OC12CCCCC1CC1CCC[C@@H]2C1=O
MolPort-035-706-179 0.86 CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H]([C@@H]12)C(C)=O
MolPort-046-596-243 0.86 C[C@@H]1CC2C3CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-000-142-085 0.86 CC12CCC(O)(CC1)CC2=O
MolPort-006-069-161 0.86 C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-417-924 0.86 CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-676-480 0.86 OC(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12
MolPort-046-418-489 0.86 OCC(O)CO.CCCCCCCCCCCCCCCCCCCCCC(O)=O
MolPort-035-395-464 0.86 C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-915-737 0.86 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CCC4(C)[C@H]3CCC12C
MolPort-044-723-414 0.86 CCCCCCCCCCCCCCCC(O)CC(O)=O
MolPort-011-549-342 0.86 CCCC(O)(CCC)CC(O)=O
MolPort-042-620-548 0.86 OC(=O)[C@@H]1C[C@H]1C1CCC1
MolPort-035-706-090 0.86 OCCC1(O)CCC(=O)CC1
MolPort-028-599-884 0.86 CC1(C)[C@H]2CC[C@@]34C[C@H](CO)[C@@H](C3)CC[C@H]4[C@]2(C)CCC1=O
MolPort-009-198-943 0.86 CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)C(=O)C2
MolPort-006-111-163 0.86 O[Al++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
MolPort-034-090-667 0.86 OC(=O)C1(CC1)C1CCC1
MolPort-046-701-119 0.86 OC(=O)C1CCC2(CCC2)C1
MolPort-003-959-178 0.86 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-001-770-042 0.86 OC(=O)C1CC11CCC1
MolPort-003-913-295 0.86 CCCCCCC(O)C(O)=O
MolPort-019-937-029 0.86 OC(=O)CCCCCCCC(=O)CCC(O)=O
MolPort-006-123-346 0.86 [Na+].CCCCCCCCC(O)C(O)CCCCCCCC([O-])=O
MolPort-035-749-175 0.86 CCC(C)CCC(O)CC(O)=O
MolPort-006-069-090 0.86 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-046-589-316 0.86 OCC(O)CO.OCC(O)CO.OCC(O)CO.CCCCCCCCCCCCCCCCCC(O)=O
MolPort-003-847-960 0.86 CCCCCCCCCCC[C@H](O)CC(O)=O
MolPort-029-758-200 0.86 OC(=O)C1CCCC11CCC1
MolPort-046-702-470 0.86 CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(O)=O
MolPort-012-466-148 0.86 CCCCCC(=O)CCC(O)=O
MolPort-003-848-305 0.86 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-727-779 0.86 CCCCCCCCCCC(O)CC(O)=O
MolPort-001-783-382 0.86 CCCCCCCCCCCCCCC(O)C(O)=O
MolPort-038-949-203 0.86 OC(=O)C1CCCCCC(=O)C1
MolPort-044-727-775 0.86 CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O
MolPort-003-892-444 0.86 CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2C(=O)CO
MolPort-044-727-774 0.86 CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=O
MolPort-046-592-950 0.86 CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-028-747-842 0.86 CCCCCCCC(=O)C(O)=O
MolPort-003-889-285 0.86 CCCCCCCC(O)CC(O)=O
MolPort-035-929-870 0.86 OC12CCCC(CC(=O)C1)C2
MolPort-003-931-422 0.86 CC1(C)C2CC1[C@](C)(O)C(=O)C2
MolPort-003-804-237 0.86 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-003-931-858 0.86 CC1(C)C2CC1[C@@](C)(O)C(=O)C2
MolPort-027-846-679 0.86 C[C@@H]1CC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-044-727-773 0.86 CCCCCCCCCCCCCCCCCCCC(O)CC(O)=O
MolPort-002-506-957 0.86 CCCC(CCC(C)=O)C(O)=O
MolPort-046-690-156 0.86 OC(CCCCCCC(O)=O)CC(O)=O
MolPort-019-536-746 0.86 CC(C)(C)C(=O)CCCC(O)=O
MolPort-046-698-864 0.86 OC(=O)[C@@H]1[C@H]2CCCCC[C@@H]12
MolPort-006-137-838 0.86 CCCCCCCCCCCCCCCC(=O)CC(O)=O
MolPort-019-905-390 0.86 OC(CCCCC(O)=O)CC(O)=O
MolPort-046-510-492 0.86 CCCCCCC[C@H](O)CC(O)=O
MolPort-001-786-938 0.86 CCCCC(O)CCC(O)=O
MolPort-009-015-180 0.86 CCCC(CCC(O)=O)(CCC(O)=O)C(C)=O
MolPort-046-681-965 0.86 CC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-350 0.86 C[C@@H]1CC2C3CCC4CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]2(C)C1C(C)=O
MolPort-044-831-980 0.86 OC(=O)[C@@H]1CCC[C@H]1C1CC1
MolPort-046-647-772 0.86 OC(=O)CC1CC2(CC2)C1
MolPort-001-011-666 0.86 CCCCCCCCCCCCC(O)C(O)=O
MolPort-035-830-886 0.86 CCCCCCCCC(O)CCC(O)=O
MolPort-013-566-714 0.86 OC(=O)C1CC1C1CCCC1
MolPort-046-067-704 0.86 CC1C2CCC[C@H](C2=O)C2(O)CCCCC12
MolPort-022-368-922 0.86 CC(C)CCCC(=O)C(O)=O
MolPort-029-508-536 0.86 OC(=O)C1CCC2(CC2)C1
MolPort-002-527-817 0.86 C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-044-195-046 0.86 [Fe].C1CCCC1.OC(=O)CC1CCCC1
MolPort-044-187-804 0.86 OC(=O)C1CC(CC2CC2)C1
MolPort-000-713-301 0.86 OC12CCCCC1CC1CCCC2C1=O
MolPort-002-551-038 0.86 CC1(C)C2CC1C(C)(O)C(=O)C2
MolPort-022-368-910 0.86 CCCC(=O)C(CC)C(O)=O
MolPort-044-562-468 0.86 CCCCCC[C@@H](O)CC(O)=O
MolPort-002-143-228 0.86 CCCCCC12CCC(O)(CC1)CC2=O
MolPort-044-600-943 0.86 OC(=O)C1CC[C@@H]2C[C@@H]2CC1
MolPort-042-675-215 0.86 CCCCCCCCC[C@@H](O)CC(O)=O
MolPort-011-549-348 0.86 CCCCCCC(O)CC(O)=O
MolPort-002-810-605 0.86 CC1(CCCCCCC1O)C(O)=O
MolPort-005-935-427 0.86 CC1(C)[C@H]2C[C@@H]1[C@](C)(O)C(=O)C2
MolPort-024-913-206 0.86 OC(C1CCCCCCC1)C(O)=O
MolPort-046-197-074 0.86 C[C@]12CC(=O)[C@H]3[C@@H](CCC4CC(O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-893-108 0.86 OC(=O)CCC1CCCCCCCCCC(CCC(O)=O)C1=O
MolPort-000-005-225 0.86 OC(=O)CCCC(=O)CCCC(O)=O
MolPort-028-951-619 0.86 CCCCC[C@H](O)CC(O)=O
MolPort-044-195-644 0.86 CC1(C)CC2(CC2C(O)=O)C1
MolPort-002-527-644 0.86 C[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-000-004-102 0.86 CCCCCCCCC(O)C(O)=O
MolPort-002-525-933 0.86 CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
MolPort-022-468-644 0.86 OC(=O)C1CCCC11CC1
MolPort-026-543-487 0.86 OC(=O)C1CC2(C1)CCCC2
MolPort-002-506-940 0.86 CC(C)C(CCC(C)=O)C(O)=O
MolPort-002-508-419 0.86 C[C@@H]1CC2[C@@H]3CCC4CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]2(C)[C@H]1C(C)=O
MolPort-002-508-721 0.86 C[C@H](O)[C@H]1CCC2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-046-782-723 0.86 OCC(O)CO.CCCCCCCCCCCCCCCCCC(O)=O
MolPort-002-131-364 0.86 CCCC(CCC(O)=O)C(C)=O
MolPort-002-510-251 0.86 CCCCCCCC12CCC(O)(CC1)CC2=O
MolPort-011-549-455 0.86 CCCCC(O)CC(O)=O
MolPort-011-551-862 0.86 CC(C)CC(O)C(C(C)C)C(O)=O
MCULE-6845034407 0.86 C1CC(O)(CCO)CCC1=O
MCULE-5718207273 0.86 C1(CCCCCCCCCCC1CCC(O)=O)=O
MCULE-3986040492 0.86 C12(CO)CCC(=O)C[C@]1(C)CCC1C3CCC(=O)C3(CCC21)C
MCULE-9704365799 0.86 [H]C12CC(O)CCC1(C)C1C(CC3(C)CC(O)CC3C1CC2)=O
MCULE-2942441696 0.86 [H]C12CC(O)CCC1(C)C1CCC3(C)CC(O)CC3C1CC2=O
MCULE-5122422025 0.86 OC(C1C2(CCC2)C1)=O
MCULE-8964977751 0.86 [H]C12CC(O)CCC1(C)C1C(CC3(C)CCC(O)C3C1CC2)=O
MCULE-9902521392 0.86 CC1(C(CC2CCCC2)(C)C1C(O)=O)C
MCULE-5143114271 0.86 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)CCC3C1CC2)=O
MCULE-9062188980 0.86 C(CCCC(CCCCCC(O)=O)=O)(O)=O
MCULE-8689766454 0.86 C(=O)(CCCCCC(=O)O)CCC(=O)O
MCULE-6285352175 0.86 OC(C1C2(CCCC2)C1)=O
MCULE-4908457545 0.86 C12(C)CCC(C1(C)C)C2C(O)=O
MCULE-2319491493 0.86 C12CC(CC1C(O)=O)C2(C)C
MCULE-6153315236 0.86 C12(CCC(C1(C)C)(C)C2)C(O)=O
MCULE-6908272845 0.86 C1(CC(C1)C1CCCC1)C(O)=O
MCULE-9557132280 0.86 C12(C)CCC(CC1C(=O)CC1C3C(C)(C(CC3)C(C)CCCC(C)C)CCC12)O
MCULE-4019531420 0.86 [C@@]12([H])CC[C@H](C(=O)C)[C@@]1([H])[C@H](C(C)C)CC[C@]2(O)C
MCULE-2184723738 0.86 C12(CCC(C1(C)C)C2)C(O)=O
MCULE-5171743084 0.86 C(CC(O)C(=O)O)CCCCCCCC
MCULE-4650460311 0.86 O=C1CC2C3CCCC3(C)CCC2C2(C)CCCCC21O
MCULE-3449258177 0.86 C12CC(C1(C)C)CC(=O)C2(C)O
MCULE-7536199519 0.86 C(O)(=O)C(CC)C(=O)CCC
MCULE-8508145982 0.86 O=C1CCC2(C)C3C(CC4(C)CC(O)CC4C3CCC2(C1)[H])=O
MCULE-6757554121 0.86 O=C1CC2(C)C3CCC4(C)C(O)CCC4C3C(CC2(CC1)[H])=O
MCULE-2552416728 0.86 O=C1CCC2(C)C3C(CC4(C)C(C)(O)CCC4C3CCC2(C1)[H])=O
MCULE-5756679964 0.86 CC1([C@@H]2[C@](C(C[C@H]1C2)=O)(O)C)C
MCULE-4404267434 0.86 OC([C@@H]1[C@@H]2[C@H]1CCCCC2)=O
MCULE-7281082037 0.86 C(CCCC(CCCCCCCCCC)=O)(O)=O
MCULE-7919400845 0.86 C(O)(C(CCC)CCC(C)=O)=O
MCULE-8869632251 0.86 [C@]12([H])[C@@](O)(C)C(C[C@]([H])(C1)C2(C)C)=O
MCULE-5892857696 0.86 CC1C2(C(C)(C)C2C(O)=O)CCCCC1
MCULE-9173713717 0.86 [C@]12(C)CCC(C[C@]1([H])C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MCULE-3496895499 0.86 [H]C12CCCCC1(C)C1C(O)CC3(C)C(CCC3C1CC2)C(C)=O
MCULE-8278468713 0.86 C(O)(=O)CC(CCCCCC)O
MCULE-4004832628 0.86 O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2(C1)[H])C(C)=O
MCULE-3544972262 0.86 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2(C1)[H])C(C)=O
MCULE-1864252195 0.86 C(C(C)C)(C(O)=O)C(O)CC(C)C
MCULE-8464659306 0.86 C[C@]12CC[C@H](O)C[C@]1([H])[C@@H](O)C[C@@]1([H])[C@]3([H])CC[C@H](C(=O)C)[C@@]3(C)CC[C@]21[H]
MCULE-8037408561 0.86 C(O)(CCC(CCCCCCCC)=O)=O
MCULE-2280230224 0.86 C12(CCCCC1CC1C(=O)C2CCC1)O
MCULE-9720790774 0.86 [C@]12(C)C[C@@H](O)C3[C@@]([H])(CCC4CC(=O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-4815351354 0.86 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
MCULE-2377526300 0.86 OC(C1CC2(CCCC2)C1)=O
MCULE-9050492488 0.86 C(CCC(O)=O)(CCC(O)=O)(CCC(O)=O)C(C)=O
MCULE-4653275903 0.86 OC([C@H]1[C@H](C2CCC2)C1)=O
MCULE-4803320183 0.86 CC1C2(C(C(O)=O)C2)CCCCC1
MCULE-3804470410 0.86 CC(C1C2(C(C(O)=O)C2)CCCCC1)C
MCULE-2869965950 0.86 CCC1C2(C(C(O)=O)C2)CCCCC1
MCULE-5681027073 0.86 OC(C(C1CCCCCC1)C1CC1)=O
MCULE-6213617617 0.86 [C@@]12(C)[C@@]([H])([C@H](C)O)CCC1[C@]1(C([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C(=O)C2)[H]
MCULE-1644298562 0.86 C(=O)(CCCC(=O)O)CCCC(=O)O
MCULE-4360629497 0.86 C(O)(=O)CC(CCCCCCC)O
MCULE-5995051629 0.86 [H]C12CCCCC1(C)C1CCC3(C)C(C(O)CC3C1CC2)C(C)=O
MCULE-9954859815 0.86 CCC(CCCC(=O)O)=O
MCULE-3783153228 0.86 OC1(CCC2(CC2)CC1)CCC=O
MCULE-5591309975 0.86 C(O)(CCC(CCCCCC)O)=O
MCULE-7183792222 0.86 C(C(CCCC(=O)O)=O)CCCC
MCULE-6572346778 0.86 O=C(O)C(O)CCCCCCCCCCCCCC
MCULE-4828153043 0.86 C(CCC)C(CCCC(=O)O)=O
MCULE-7337930692 0.86 C(CCC)C(CCC(=O)O)=O
MCULE-7242119099 0.86 CC1(C(C2(C=O)CC2)CCCC1)O
MCULE-8371895709 0.86 C(O)(=O)CC(O)CCC(C)CC
MCULE-2235494953 0.86 C12(CCCC(C1)CC(=O)C2)O
MCULE-3700635492 0.86 OC1(CCC2(CC2)CC1)CC=O
MCULE-8004614755 0.86 C1(CCCCCCC1O)(C)C(O)=O
MCULE-5264826892 0.86 C(C)(C)(C)C(CCCC(=O)O)=O
MCULE-4513523452 0.86 C12CC3CC(CC(C3)C1O)C2=O
MCULE-3066636390 0.86 O=C(C)C1CCC2C3CC(O)C45C(CCC4(C)C3CCC21C)C5
MCULE-6806538778 0.86 CCCCC(CCC(O)=O)O
MCULE-2993174891 0.86 C1(C(O)=O)C(C1)CC
MCULE-6415159340 0.86 C(O)(C1CCCC1)=O
MCULE-4016461466 0.86 OC1CCCC(=O)CCC1
MCULE-4298027549 0.86 CC(C1C(C(O)=O)C1)C
MCULE-3191980261 0.86 C1C(CCC(=O)O)(CC(O)=O)C1
MCULE-5907126944 0.86 CCC1(C(C(O)=O)C1)C
MCULE-9495078126 0.86 [Na+].C(C([O-])=O)CCCC
MCULE-4126818812 0.86 CCC(C1CC1)CC(O)=O
MCULE-8238049678 0.86 O=C1C(O)CCCCCCCC1
MCULE-8944777861 0.86 CC[C@H]1[C@H](C(O)=O)C1
MCULE-2755332087 0.86 CC1C(C(O)=O)CC1
MCULE-3182628740 0.86 C([O-])(=O)CCCCC([O-])=O.[Ag+].[Ag+]
MCULE-9978136872 0.86 CC1(CC(C(O)=O)CC1)C
MCULE-1377442346 0.86 OC(CCC1CC1)=O
MCULE-7783755862 0.86 CC(C1(C(C(O)=O)C1)C)C
MCULE-8150530718 0.86 CC1(C(O)=O)CCCC1
MCULE-8613374918 0.86 C1(O)CCCCCCCCCCCCCC1=O
MCULE-4228389293 0.86 C1(C(O)=O)C(C)C(C1)C
MCULE-2328305728 0.86 C1(CCCCCCCCCCCCCCC1O)=O
MCULE-5009837194 0.86 CC1CC(C(O)=O)CC1
MCULE-3373480454 0.86 C12C3C4C5C6C(=O)C4C1C1CCCC1C2C(CO)C3C5CC6
MCULE-6791529668 0.86 CC(C1CC1)CC(O)=O
MCULE-3720911045 0.86 OC(CC1CCC1)=O
MCULE-4099946993 0.86 CC1(C(C(=O)O)CC1)C
MCULE-7509366699 0.86 OC1C(CCCC1)=O
MCULE-7188499918 0.86 C1(O)CCCCCCCCCCC1=O
MCULE-8991511326 0.86 CC(=O)C(CCCC)CO
MCULE-7141144115 0.86 C1(C)(CCC(O)=O)CC1
MCULE-5542945732 0.86 CC(C1C(C)(C)C1C(O)=O)(C)C
MCULE-4706733913 0.86 C1(CCCC1CCCCCCCCCCCO)=O
MCULE-7247867750 0.86 C1(CCC(CC1)O)=O
MCULE-3123393545 0.86 OC(C1C2(CC2)C1)=O
MCULE-9397608140 0.86 O=C(CCCCCO)[O-].[K+]
MCULE-5450508349 0.86 CC(C12CC(C1)C2)C(=O)O
MCULE-3470675948 0.86 O=C(O)C1CC(C(C)C)C1
MCULE-4399154195 0.86 C(O)(=O)C1CC(C1)CC
MCULE-1352377374 0.86 CC(C(=O)O)C1CCC1
MCULE-2258535093 0.86 CC(C(O)=O)(C1CCC1)C
MCULE-2319800478 0.86 C1(CC)(CC)CC1C(O)=O
MCULE-4180377229 0.86 C[C@@]1([C@H](C2(C=O)CC2)CCCC1)O
MCULE-3072060660 0.86 OC(C1CC(=O)CCCCC1)=O
MCULE-9546669272 0.86 C[C@@]1([C@H](C2(C=O)CCC2)CCCC1)O
MCULE-4151749430 0.86 C(O)(C(CCCCC)O)=O
MCULE-5526835762 0.86 C(O)(CCC(CCC(C)=O)=O)=O
MCULE-4727842865 0.86 OC(C1(CC2(CCC2)C1)CC1CC1)=O
MCULE-4756542974 0.86 C(C(O)CC(=O)O)CCCCCCCCCC
MCULE-9292131587 0.86 OC(C1(C2CC2)CC2(CCC2)C1)=O
MCULE-4182736072 0.86 CC1(C(C2(C=O)CCC2)CCCC1)O
MCULE-8726903905 0.86 CCCC(CC(O)=O)(CCC)O
MCULE-9862158900 0.86 OC(=O)C[C@H](O)CCCCCCCCC
MCULE-1131796379 0.86 OC([C@H]1[C@@H]2[C@@H](CCCCC2)C1)=O
MCULE-5265679391 0.86 CC(C(O)=O)C1C2(CCCC2)CC1
MCULE-7094313530 0.86 OC(CC1C2(CCCC2)CC1)=O
MCULE-2186257830 0.86 C(C)(CCC(O)=O)(CCC(O)=O)C(C)=O
MCULE-1156283256 0.86 O=C(CCCCCCCC(=O)CCC(O)=O)O
MCULE-1210295340 0.86 CC1(C(C(O)=O)C1)CC1CCCC1
MCULE-8352063977 0.86 C(O)(C(CCCCCCCC)O)=O
MCULE-3513138919 0.86 O=C1CCC2(C)C3CC(O)C4(C)C(CCC4C3CCC2C1)C(C)=O
MCULE-8369309534 0.86 C(O)(C(CCCCCCCCCCCC)O)=O
MCULE-2412559497 0.86 C(O)(C(CCCCCCCCCCCCCCCC)O)=O
MCULE-8054557225 0.86 C(O)(CC(=O)O)CCCCCCCCC
MCULE-4092969179 0.86 C(CC(O)CC(=O)O)CCCCCCCCCCCCC
MCULE-5483181646 0.86 CC1C2(CC(CCC2)CC1=O)O
MCULE-5550286131 0.86 C12(C)CCC3C(CCC4CC(O)CCC34C)C1CC(C)C2(O)C(C)=O
MCULE-7766469470 0.86 C(CCC(=O)CC([O-])=O)CCCCCCCCCCCCCCCCCC
MCULE-9256642523 0.86 O=C1CCCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC21O
MCULE-1445414038 0.86 C(C(O)CC(=O)O)CCCCCCCCCCCC
MCULE-9530736167 0.86 OC(C1(C2CCCC2)CC2(CCC2)C1)=O
MCULE-4685004246 0.86 O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCCC21O
MCULE-1967982625 0.86 OC1(C2(CCCCC2)CC1)CC=O
MCULE-3660783056 0.86 OC1C2C(=O)C(CCC2)CC1
MCULE-2640984044 0.86 [C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C[C@]2(CC1)[H])=O)[H]
MCULE-8798412985 0.86 C(CCCC(CCCCCCCCCCC(O)=O)=O)(O)=O
MCULE-2855252481 0.86 OC1(C2(CCCCC2)CC1)CCC=O
MCULE-3035503630 0.86 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CC[C@H](C(C)C)O)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]2([H])CC1=O
MCULE-3436491291 0.86 C(CCC)(CCC(O)=O)(CCC(O)=O)C(C)=O
MCULE-4660106838 0.86 CC1(C(CC(C2CC2)=O)CCCC1)O
MCULE-3170300171 0.86 CCCCCCCC(=O)CC(O)=O
MCULE-1487409845 0.86 [Na+].CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O
MCULE-5660062778 0.86 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1C(C2)=O
MCULE-9429187529 0.86 CC1(C(C2C(=O)CCC2)CCCC1)O
MCULE-4932955141 0.86 C(O)(=O)[C@H](O)CCCCCCCC(O)=O
MCULE-5242343531 0.86 C(CCCC(CCCCCCCCCCCC)=O)(O)=O
MCULE-3249043153 0.86 [H]C12CC(O)CCC1(C)C1CCC3(C)CC(O)CC3C1C(C2)=O
MCULE-4129759758 0.86 OC1(C(C2CC2)CCCC1)CC=O
MCULE-1679305682 0.86 C(O)(C(=O)O)CCCCCC
MCULE-6308143690 0.86 CC1(C(C2(C=O)CCCC2)CCCC1)O
MCULE-1306043247 0.86 [C@@]12([H])CC[C@@]3([H])CC(CCC3(C)[C@@]1([H])CCC1(C)[C@@](CC[C@@]21[H])(O)C(=O)C)=O
MCULE-4825961688 0.86 CCCCCC(CC(O)=O)O
MCULE-1648013865 0.86 C1(C(CCCCCCCCCC1CCC(O)=O)CCC(=O)O)=O
MCULE-2427095523 0.86 C(O)(CCC(CCC)C(C)=O)=O
MCULE-5513451934 0.86 C(O)(=O)C(C1CCC1)CC1CC1
MCULE-5205208596 0.86 C(O)(=O)C(C(C)C)CCC(C)=O
MCULE-1233637144 0.86 C(C)(C)C(CCCC(=O)O)=O
MCULE-4135920946 0.86 C[C@@]1([C@H](C2(C=O)CCCC2)CCCC1)O
MCULE-5554652459 0.86 C(CC)C(CCCC(=O)O)=O
MCULE-8214280044 0.86 OC(C(C1CCCCCC1)C1CCC1)=O
MCULE-6470944503 0.86 C(O)(CCC(CCCCCCCC)O)=O
MCULE-4056750992 0.86 C(CCC(=O)O)C(=O)CCCCCC
MCULE-4809633073 0.86 C(CC)C(=O)CCC(=O)O
MCULE-4119867593 0.86 C(=O)(O)C(O)CCCCCCCC(=O)O
MCULE-5537226560 0.86 C[C@@]1([C@H](CC(C2CC2)=O)CCCC1)O
MolPort-001-779-872 0.86 OC1CCCCC1=O
MolPort-027-585-033 0.86 CCC1(CC)CC(C1)C(O)=O
MolPort-000-929-112 0.86 OC(=O)C1CC11CC1
MolPort-009-681-030 0.86 CC(CC1CC1)C(O)=O
MolPort-027-585-032 0.86 CC(C)(C)C1CC(C1)C(O)=O
MolPort-013-638-406 0.86 CCC1(CC)CC1C(O)=O
MolPort-029-939-368 0.86 OCC(CO)(CO)CCCC(O)=O
MolPort-046-674-833 0.86 CCC12CC(C1)(C2)C(O)=O
MolPort-029-501-107 0.86 CC1(C)CC1CC(O)=O
MolPort-029-501-108 0.86 CC1CC1CC(O)=O
MolPort-044-422-976 0.86 CC(C)(C)C12CC(C1)(C2)C(O)=O
MolPort-013-638-378 0.86 CCC1(C)CC1C(O)=O
MolPort-004-802-011 0.86 CC1CCC(C1)C(O)=O
MolPort-046-658-561 0.86 C[C@H](C1CC1(C)C)C(O)=O
MolPort-029-501-109 0.86 CC(C1CC1(C)C)C(O)=O
MolPort-027-634-828 0.86 CC(C)(CC(O)=O)C1CC1
MolPort-046-671-995 0.86 CC(C1CC(C)(C)C1)C(O)=O
MolPort-006-022-379 0.86 CC(CC(O)=O)C1CC1
MolPort-038-949-778 0.86 CC1(C)CC(CC(O)=O)C1
MolPort-003-850-235 0.86 CCC(O)C(C)CC(C)C(=O)CC
MolPort-013-638-436 0.86 CC(C)C1(C)CC1C(O)=O
MolPort-021-710-382 0.86 CCC(CC(O)=O)C1CC1
MolPort-046-656-882 0.86 C[C@@H](CC1CC1)C(O)=O
MolPort-046-658-563 0.86 C[C@@H](C(O)=O)C(C)(C)C1CC1
MolPort-001-759-972 0.86 OC(=O)C1CCCC1
MolPort-013-638-364 0.86 CCC1(CC1C(O)=O)C(C)C
MolPort-046-652-235 0.86 C[C@@H](C1C(C)(C)C1(C)C)C(O)=O
MolPort-044-832-065 0.86 CC1(C)C(CC(O)=O)C1(C)C
MolPort-029-215-770 0.86 CC1(C)CCC1C(O)=O
MolPort-046-651-908 0.86 CC([C@H](C)C(O)=O)C1CC1
MolPort-046-146-984 0.86 CC(C)(C)C1(C)CC(C1)C(O)=O
MolPort-019-878-759 0.86 CC(C)C1CC(C1)C(O)=O
MolPort-044-202-643 0.86 CC(C)(C)[C@@H]1C[C@H]1C(O)=O
MolPort-046-651-320 0.86 CCC([C@@H](C)C(O)=O)C1CC1
MolPort-046-291-196 0.86 CC(C)[C@@H]1C[C@H]1C(O)=O
MolPort-046-651-309 0.86 C[C@H](C1C(C)(C)C1(C)C)C(O)=O
MolPort-035-782-776 0.86 CCC1(CC(O)=O)CCC1
MolPort-046-661-258 0.86 CC(C(O)=O)C(C)(C)C1CC1
MolPort-046-659-171 0.86 C[C@@H](C1CC(C)(C)C1)C(O)=O
MolPort-046-652-243 0.86 CCC([C@H](C)C(O)=O)C1CC1
MolPort-003-927-909 0.86 [Na+].CCCCCC([O-])=O
MolPort-000-004-276 0.86 OC1CCC(=O)CC1
MolPort-000-002-551 0.86 OC(=O)CC1CCC1
MolPort-046-682-813 0.86 CCCCCC(O)=O.CCCCCC(O)=O.CCCCCC(O)=O.CCCCCC(O)=O.OCC(CO)(CO)CO
MolPort-029-002-747 0.86 CCC1(C)CC(C1)C(O)=O
MolPort-046-662-033 0.86 CC([C@@H](C)C(O)=O)C1CC1
MolPort-000-153-798 0.86 OC(=O)CCC1CC1
MolPort-008-492-140 0.86 CC(C1CCC1)C(O)=O
MolPort-013-566-715 0.86 CC(C)C1CC1C(O)=O
MolPort-046-656-884 0.86 C[C@@H](CC1(C)CC1)C(O)=O
MolPort-046-660-397 0.86 C[C@H](C1CC(C)(C)C1)C(O)=O
MolPort-013-638-450 0.86 CCC1CC1C(O)=O
MolPort-035-683-565 0.86 [K+].OCCCCCC([O-])=O
MolPort-046-657-339 0.86 C[C@@H](C1CC1(C)C)C(O)=O
MolPort-020-969-101 0.86 CC1CCC(C)(C1)C(O)=O
MolPort-044-559-295 0.86 CC(C(O)=O)C12CC(C1)C2
MolPort-046-657-191 0.86 C[C@H](CC1(C)CC1)C(O)=O
MolPort-034-090-646 0.86 CC(C)(C1CCC1)C(O)=O
MolPort-022-468-643 0.86 OC(=O)CC1(CC1)C1CC1
MolPort-042-683-287 0.86 CC[C@@H]1C[C@H]1C(O)=O
MolPort-003-800-666 0.86 OC1CCCC(=O)CCC1
MolPort-042-681-289 0.86 OC(=O)CC12CC(C1)C2
MolPort-046-657-341 0.86 C[C@H](C(O)=O)C(C)(C)C1CC1
MolPort-002-471-326 0.86 CC1(CCCC1)C(O)=O
MolPort-003-178-985 0.86 CC1(CCC(O)=O)CC1
MolPort-022-366-771 0.86 CC1(C)CCC(C1)C(O)=O
MolPort-046-657-189 0.86 C[C@H](CC1CC1)C(O)=O
MolPort-012-193-905 0.85 CCCC(CC(C)C)C(O)=O
MolPort-046-156-388 0.85 CCCC(CCC)C(O)=O.CCCC(CCC)C(O)=O.CCCC(CCC)C(O)=O
MolPort-022-364-825 0.85 OCCCCCC=O
MolPort-003-850-831 0.85 [2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(O)=O
MolPort-012-193-886 0.85 CC(C)CC(CC(C)C)C(O)=O
MolPort-001-791-895 0.85 CCCC(CCC)C(O)=O
MCULE-7136317196 0.85 CCCC(C(O)=O)CCC
MCULE-8986413010 0.85 CC(CC(C(=O)O)CC(C)C)C
MCULE-4997016680 0.85 O=CCCCCCO
MolPort-001-761-200 0.83 OC(=O)C1CC(=O)CC(=O)C1
MolPort-046-761-803 0.83 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2C3[C@@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-142-099 0.83 OC1CCC2CC1CC2C(O)=O
MolPort-006-734-658 0.83 OC(=O)C1CC2CCC(C1)C2=O
MolPort-000-733-397 0.83 [K+].CC1(C)C(O)C2(CCC1C2)C([O-])=O
MolPort-005-944-396 0.83 C[C@H]1C(=O)CC2[C@H]3CC[C@@H](C(O)=O)[C@@]12CC3(C)C
MolPort-002-516-325 0.83 [K+].CC1(C)[C@@H](O)C2(CCC1C2)C([O-])=O
MolPort-039-333-969 0.83 OC(=O)C12CCC(CC1)(C2)C(O)=O
MolPort-046-426-936 0.83 CC(CCC(O)=O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C
MolPort-027-853-685 0.83 CC1C(=O)CC2C3CCC(C(O)=O)C12CC3(C)CO
MolPort-001-025-087 0.83 OC(=O)C1C2CCC(C2)C1C(O)=O
MolPort-046-791-690 0.83 OC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)C2=O
MolPort-002-915-989 0.83 OC(=O)C12C3CCC4C5C3C1C5(C24)C(O)=O
MolPort-006-111-761 0.83 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-558-748 0.83 OC(=O)C12CC(C1)(CCC2)C(O)=O
MolPort-046-790-659 0.83 OC(=O)[C@H]1C[C@@H]2CC[C@H](C1)C2=O
MolPort-044-561-687 0.83 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-703-769 0.83 OC(=O)C12CC3CC(O)(CC(O)(C3)C1)C2
MolPort-000-712-942 0.83 [K+].CC1(C)C2CCC(C2)(C([O-])=O)C1=O
MolPort-028-610-119 0.83 CC1(C)CC23CC(=O)CC2C1CCC3C(O)=O
MolPort-003-801-800 0.83 C[C@@]1(C2CCC(C2)[C@H]1C(O)=O)C(O)=O
MolPort-046-790-871 0.83 OC1[C@H]2CC[C@@H]1C[C@H](C2)C(O)=O
MolPort-002-966-541 0.83 CC1C2C(C3CCC2C3)C11CC1C(O)=O
MolPort-002-894-318 0.83 OC(=O)C1C2CCC(CCC2)C1C(O)=O
MolPort-044-561-685 0.83 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-683-575 0.83 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-143-385 0.83 OC(=O)C12CCC(CC1=O)(C(O)=O)C(=O)C2
MCULE-8021924943 0.83 CC(C(CC1CC2C(C2)CC1)=O)O
MCULE-2925676495 0.83 CC1(C2(C3(CCCC3)CC2)C1C(O)=O)C
MCULE-8608035641 0.83 C12(C)CCC3C(CC(C4(O)CC(O)CCC34C)C)C1CC1CCCCC21C(C)=O
MCULE-8065311815 0.83 OC(CC1CC(=O)CC1)=O
MCULE-8255633701 0.83 C(CC(=O)O)C(CCCCCC)C(=O)O
MCULE-7800919865 0.83 CC(CC1(C(O)=O)CCCC1)=O
MCULE-7925612412 0.83 OC1C2(CCC2)C(CC(O)=O)C1
MCULE-9911383354 0.83 CC(C1(C(C)CCCCC1)O)C(O)=O
MCULE-6035774013 0.83 C1(CCCC1C(C)=O)C(O)=O
MCULE-6904972678 0.83 CC1C(CCC(O)=O)(O)CCCCC1
MCULE-9943982137 0.83 C1(CCCC1C(CC)=O)C(O)=O
MCULE-4982799985 0.83 CC(C1C(C(O)=O)(O)CCCCC1)C
MCULE-4295713715 0.83 C(CCCCC)(C(O)=O)C(O)=O
MCULE-7052380408 0.83 C1CC2(C)C3C[C@H](O)C4(C)C(C(C)CCCO)CCC4C3[C@H](O)C[C@@]2([H])CC1=O
MCULE-3243206773 0.83 C(O)(CC(CCCCCC)CC(O)=O)=O
MCULE-5324734485 0.83 OC(C1(C(C2CC2)=O)CC1)=O
MCULE-7525939705 0.83 C(=O)(CC(C)C)C1CCCC1C(O)=O
MCULE-8569034339 0.83 C1(CCCC1C(CCC)=O)C(O)=O
MCULE-3775521327 0.83 C1(C2CCC1CC2O)C(=O)C(C)(C)C
MCULE-1310305344 0.83 C1(CCCC1C(O)=O)C(C(C)C)=O
MCULE-2033392262 0.83 CCC1C(C(C(O)=O)O)CCCCC1
MCULE-2787703576 0.83 CCC1C(CC(O)=O)(O)CCCCC1
MCULE-3434331295 0.83 OC(C1C2(C3(CCCC3)CC2)C1)=O
MCULE-3741637843 0.83 CCCCCCC(C(O)=O)CC(=O)O
MCULE-1757567176 0.83 [Na+].C(CCC(=O)CC([O-])=O)CCCCCCCCCCCCCCCCCC
MCULE-9805757782 0.83 OC1(CC2CC(CC2)C1)CCC=O
MCULE-5214787750 0.83 OC(C1CC2C(C2)C1)CC=O
MCULE-3409243062 0.83 C(CCCCCCCC)(C(O)=O)C(O)=O
MCULE-5412550293 0.83 C(O)(=O)C(C)(CCCC(C)(C)O)O
MCULE-8679880554 0.83 CCCCCCCCCCCCCCCCC(C(=O)O)(C)C(=O)O
MCULE-9738014494 0.83 C1(C)(C)C(C(O)=O)CCC1(C)C(C)=O
MCULE-4781693369 0.83 OC(C=O)CC1CC2C(C2)CC1
MCULE-2427640787 0.83 C(CCCCCCCCCC)(C(O)=O)C(O)=O
MCULE-8576194627 0.83 C(CC)CCCCCCCCCCCCCCCC(C)(C(=O)O)C(=O)O
MCULE-2712906661 0.83 C(O)(=O)C(CCCCCCCCCC)CC(O)=O
MCULE-1700675888 0.83 O=C(C[C@H]1CCC(=O)C1)O
MCULE-7020649586 0.83 OC1(CC2CC(CC2)C1)CC=O
MCULE-5438829263 0.83 O=C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(O)C1
MCULE-4028476263 0.83 [H]C12CC(O)CCC1(C)C1C(O)CC3(C)C(CCC3C(CO)=O)C1CC2
MCULE-5367244833 0.83 CC(C(CC1CC2C(C2)CC1)=O)(O)C
MCULE-3870023052 0.83 CC(C=O)(CC1CC2C(C2)CC1)O
MCULE-7552212559 0.83 [H]C12CCCCC1(C)C1CCC3(C)C(CC(O)C3C1CC2)=O
MCULE-8139501570 0.83 C(C(CCCCCC)O)C(O)[C@H](CCCCCCCC(O)=O)O
MCULE-3848097335 0.83 C1(CCCCC1C1(CCCCC1)O)(O)C1CCCCC1=O
MCULE-4444168907 0.83 OCC1(C(O)=O)CC2(CCC2)C1
MCULE-9632141888 0.83 C1(C(=O)O)C2CCCC(CC2)C1C(=O)O
MCULE-5670634496 0.83 CCC(C(O)=O)(C1CC2CC(CC2)C1)O
MCULE-2619134082 0.83 C1C(C(O)=O)CC(=O)CC1=O
MCULE-2201756839 0.83 C12CC(=O)CC31CC(C)(C)C2CCC3C(O)=O
MCULE-6805778828 0.83 C12C(C(=O)O)C(C(=O)O)C3C4C1C1(C)C2C3C41
MCULE-3353258279 0.83 C12(C)C(C(C)CCC(O)=O)CCC1C1C(CC2=O)C(C)(CCC(O)=O)C(CC1=O)([H])C(O)=O
MCULE-1305537092 0.83 CC(C1(C2C(C2)CCC1)O)C(O)=O
MCULE-4149324434 0.83 OC(CCC1(C2C(C2)CCC1)O)=O
MCULE-3119805716 0.83 C12C3C4C5C3C1C(C(=O)O)C(C(=O)O)C5C24
MCULE-2416683081 0.83 C12(C(=O)O)CCC(CC1C(=O)O)C2
MCULE-8837939420 0.83 C1(C(O)=O)(C(O)=O)CC2C(CCCC2)C1
MCULE-8382411693 0.83 O[C@H]1[C@H]2C[C@H](C(O)=O)C[C@@H]1CC2
MCULE-7081418401 0.83 C12(C(O)=O)C3(C(O)=O)C4C(C5C3C3CCCC3C15)C2C1CCCC41
MCULE-6709642605 0.83 C1(CC2CCC(C2O)C1)C(O)=O
MCULE-8638423285 0.83 C1(=O)C2CCC1CC(C(O)=O)C2
MCULE-5532095799 0.83 OC(C(O)=O)C1CC2CC(CC2)C1
MCULE-3625901496 0.83 CC(C(O)=O)(C1CC2CC(CC2)C1)O
MCULE-5233527972 0.83 OC(C(CC1CC2C(C2)CC1)=O)=O
MCULE-9967170014 0.83 C12(CCC(C(C)(C)C1O)C2)C(=O)[O-].[K+]
MCULE-5331811400 0.83 C(O)(C12C3C4C1C1C2C3(C4CC1)C(O)=O)=O
MCULE-2639338675 0.83 OC(C1(CC2CC(CC2)C1)O)=O
MCULE-7406116065 0.83 C1(C(=O)CC(CC1=O)(C)C)C(C(O)=O)C1C(=O)CC(CC1=O)(C)C
MCULE-3718276186 0.83 C(=O)(C1C2CCC(O)C(C2)C1)O
MCULE-8727583920 0.83 CC(C1(CC2CC(CC2)C1)O)(C(O)=O)C
MCULE-1323235294 0.83 C1(C(O)=O)C2CCC(C2)C1C(O)=O
MCULE-6125140276 0.83 C12(CCC(C(=O)C1)(C(=O)O)CC2=O)C(=O)O
MCULE-5601475227 0.83 CC(C(O)=O)(C(C1CC2C(C2)CC1)O)C
MCULE-9204294868 0.83 CC(C(O)=O)C(C1CC2C(C2)CC1)O
MCULE-2579789471 0.83 OC(C12CC3(CC(C1)(CC(C3)C2)O)O)=O
MCULE-9509871584 0.83 OC(C1CC2C(C2)CC1)CC(O)=O
MCULE-5555514339 0.83 C12(C(C)C3C1C1CCC3C1)CC2C(O)=O
MCULE-6142085703 0.83 CC(C(O)=O)(C(C1CC2C(C2)C1)O)C
MCULE-6669025953 0.83 CC(C(O)=O)C(C1CC2C(C2)C1)O
MCULE-5314757732 0.83 OC(C(CC1CC2C(C2)C1)=O)=O
MCULE-1289768502 0.83 [C@@]1(C)(C(O)=O)C2CCC(C2)[C@H]1C(O)=O
MCULE-6520374033 0.83 OC(C(O)=O)C1CC2C(C2)CC1
MCULE-7231076271 0.83 C1(C)(CC(O)=O)C2CCC1(C)C(C2=O)=O
MCULE-1198095097 0.83 OC(CC1(C2C(C2)CCC1)O)=O
MCULE-4265309175 0.83 OC(C(O)=O)C1CC2C(C2)C1
MCULE-1397380541 0.83 CCC(C1(CC2CC(CC2)C1)O)C(O)=O
MCULE-5258836814 0.83 OC(CCC1(CC2CC(CC2)C1)O)=O
MCULE-9299863412 0.83 CC(C1(CC2CC(CC2)C1)O)C(O)=O
MCULE-8664108270 0.83 OC(C1CC2C(C2)C1)CC(O)=O
MCULE-9821234602 0.83 OC(CC1(CC2CC(CC2)C1)O)=O
MCULE-7137956838 0.83 CC(C1(C2C(C2)CCC1)O)(C(O)=O)C
MCULE-4318963356 0.83 CCC(C1(C2C(C2)CCC1)O)C(O)=O
MCULE-7953353575 0.83 OC(C(O)=O)CC1CC2C(C2)C1
MCULE-9929517177 0.83 [C@H]1(CC[C@@H]2C3CC(=O)[C@H](C)[C@@]31CC2(C)C)C(=O)O
MCULE-6330963076 0.83 CC(C(C1(C2C(C2)CCC1)O)C(O)=O)C
MCULE-7360502187 0.83 OC(C(O)=O)CC1CC2C(C2)CC1
MCULE-1355541443 0.83 C12(CCC(C(C)(C)C1=O)C2)C(=O)[O-].[K+]
MCULE-1585453405 0.83 C12CC(=O)C(C)C31CC(CO)(C)C2CCC3C(=O)O
MCULE-3020674567 0.83 C12(C)CCC3C(CCC4CC(O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-1941504047 0.83 C1(CC1)C(=O)CCC(=O)O
MCULE-3641341110 0.83 CCC1CC(C(O)=O)(O)CC1
MCULE-6807772608 0.83 [H]C12CCCCC1(C)C1CC(O)C3(C)CC(CC3C1CC2O)=O
MCULE-7526839398 0.83 O=C1CCCC2(C)C3CC(O)C4(C)CCC(O)C4C3CCC21[H]
MCULE-4094454547 0.83 C1(CCC1)C(CCCC(=O)O)=O
MCULE-6250560834 0.83 CC([C@H]1C(C)(C)[C@@H](C(O)=O)C1)=O
MCULE-6610512478 0.83 OC(CCCC(C1CC1)=O)=O
MCULE-4395510611 0.83 CCCCCCC(CCC([O-])=O)O.[K+]
MCULE-3518439299 0.83 C12(C)CCC3C(CC(C4CC(O)CCC34C)O)C1CCC2(O)C(C)=O
MCULE-5350830349 0.83 [C@]12(C)CCC3[C@@]([H])(C[C@@H]([C@@]4(O)CC(=O)CC[C@]34C)C)C1CC1CCCC[C@@]21C(C)=O
MCULE-3029974779 0.83 CCC1C(C(O)=O)(O)CCCCC1
MCULE-9037545570 0.83 [H]C12CC(O)CCC1(C)C1CCC3(C)C(CCC3C1C(C2)=O)=O
MCULE-8161580793 0.83 CC1C(C(O)=O)(O)CCCCC1
MCULE-4430782133 0.83 CC1C(CC(O)=O)(O)CCCCC1
MCULE-5880957671 0.83 CC1(CCC(C(O)=O)(O)CCC1)C
MCULE-4029687060 0.83 C1(CCCC1)C(=O)CCC(=O)O
MCULE-8811358615 0.83 C1(CCC1)C(CCC(=O)O)=O
MCULE-1755848484 0.83 [H]C12CC(O)CCC1(C)C1C(O)CC3(C)C(CCC3C1C(C2)=O)C(C)=O
MCULE-6946401194 0.83 OC1(C(CC2CC3C(C3)C2)=O)CCCC1
MCULE-3366018643 0.83 OCC(C(O)=O)C1CCCCCC1
MCULE-7470096721 0.83 C(O)(C1(O)CCCCCC1)=O
MCULE-8245153604 0.83 O=C1CCC2(C)C3C(CC4(C)CCCC4C3CC(O)C2(C1)[H])=O
MCULE-2150135151 0.83 [C@]12(C)CCC3[C@@]([H])(C[C@@H]([C@@]4([H])CC(=O)CC[C@]34C)O)C1CC[C@]2(O)C(C)=O
MCULE-4556222099 0.83 O=C1CCC2(C)C3C(CC4(C)CCCC4C3C(O)CC2(C1)[H])=O
MCULE-8437045679 0.83 O=C1CCC2(C)C3CCC4(C)CC(O)CC4C3C(CC2(C1)[H])=O
MCULE-5945947500 0.83 [H]C12CC(O)CCC1(C)C1CCC3(C)C(CCC3C1C(O)C2)=O
MCULE-8207399383 0.83 [C@H](CO)(CC1CCCC1)C(O)=O
MCULE-2187006197 0.83 [H]C12CC(O)CCC1(C)C1(O)CCC3(C)C(CCC3C1CC2)=O
MCULE-9165817940 0.83 [H]C12CC(O)CCC1(C)C1C(O)CC3(C)CCCC3C1C(C2)=O
MCULE-9062474189 0.83 CCCCCCC(C(O)=O)C(=O)O
MCULE-1824869604 0.83 OCCC1(C(O)=O)CC2(CCC2)C1
MCULE-8527151614 0.83 [H]C12CC(O)CCC1(C)C1CCC3(C)C(CCC3(O)C1CC2)=O
MCULE-7756025033 0.83 C1(C(=O)CCCC(=O)O)CCCC1
MCULE-9135293799 0.83 C(CO)(C1CCCC1)C(O)=O
MCULE-1722457669 0.83 CC1C(C(C(O)=O)O)CCCCC1
MCULE-5905839344 0.83 O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CC(O)C2(C1)[H]
MCULE-8711753102 0.83 [H]C12CCCCC1(C)C1C(O)CC3(C)C(CCC3C1CC2O)=O
MCULE-7804195103 0.83 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(C(O)CCC3C1CC2)=O)=O
MCULE-6522061959 0.83 CC(C1C(CC(O)=O)(O)CCCCC1)C
MCULE-6663725829 0.83 C(CCCC)(C(=O)O)CC(=O)O
MCULE-7504539994 0.83 OC(CC1(CCCC1)O)=O
MCULE-5301954723 0.83 C12(C)CCCC(C)(C)C1CCC(C)(O)C2CC(O)C(C)=O
MCULE-3334259145 0.83 CC(C(CC1CC2C(C2)C1)=O)(O)C
MCULE-7646723801 0.83 C1(=O)CC(C(=O)O)CCCC1
MCULE-4287129214 0.83 [H]C12CC(O)CCC1(C)C1CCC3(C)C(O)C(CC3C1CC2)=O
MCULE-1725445424 0.83 C(CCC)C(C(O)=O)(C(O)=O)CCCC
MCULE-9441875803 0.83 CC(C(O)=O)(CC1CCCC1)O
MCULE-4861873087 0.83 C(C)(CCCCCCCCCCCCCO)(C(O)=O)C(O)=O
MCULE-6811733269 0.83 C1(C)(C)C(=O)CCC1CC(O)=O
MCULE-6014966771 0.83 CC1C(C(C(O)=O)(C)C)(O)CCCCC1
MCULE-1166216503 0.83 CCC(C1(C(C)CCCCC1)O)C(O)=O
MCULE-9730340934 0.83 C(CCCCCCCCCCCO)(C(O)=O)C(O)=O
MCULE-1471598195 0.83 OC(C(O)=O)C1CCCC1
MCULE-3202832048 0.83 CCC(C(O)=O)(C1C(C)CCCCC1)O
MCULE-6983782266 0.83 C(O)(=O)CCCCCCCC(O)C(O)CC(O)CCCCCC
MCULE-2612102056 0.83 C(CCCCCCCCC)(C(O)=O)C(O)=O
MCULE-8469852741 0.83 CCC1C(C(C(O)=O)C)(O)CCCCC1
MCULE-7473539405 0.83 C12(C)CCC(C(O)C1=O)C2(C)C
MCULE-5289944768 0.83 CCC1C(C(C(O)=O)(O)C)CCCCC1
MCULE-7829020810 0.83 OC(C1CC2C(C2)CC1)CC=O
MCULE-5689039654 0.83 CC(CC(C(O)=O)CCC(O)=O)C
MCULE-5688857482 0.83 C12(C)CCC3C(CCC4CC(O)CCC34C)C1CC(C)C2(O)C(CO)=O
MCULE-3860096148 0.83 C(C)(CCCCCCCCCCCCCCCO)(C(O)=O)C(O)=O
MCULE-2107446858 0.83 C1(C(O)=O)CC2C3CC(C(=O)O)CC3C2C1
MCULE-6286465037 0.83 C1C(O)(C)C(C)C(C(O)(C)CCCC(C(O)=O)C)C1
MCULE-7579126986 0.83 O[C@H]1[C@H](CC(O)=O)CCC1
MCULE-5661638563 0.83 C1(C)(C)[C@](C[C@]1(C(C)=O)[H])(C(O)=O)[H]
MCULE-4067052677 0.83 OC(CC1(CCCCCC1)O)=O
MCULE-6862161511 0.83 C(C(=O)O)(CCC(=O)O)C(C)(C)CC(=O)O
MCULE-7315538654 0.83 C12(CO)CCC(C(=O)C1(C)C)C2
MCULE-9455931681 0.83 C1(C)(C)C(C)(C=O)CCC1C(O)=O
MCULE-2686335795 0.83 C12(C)C(O)CC(C(=O)C1)C2(C)C
MCULE-4710449346 0.83 CC(CC1(C(O)=O)CC2(CCC2)C1)O
MCULE-3838245802 0.83 C(O)(=O)C(CCCCCCCCCCCCCC)CC(O)=O
MCULE-2929328294 0.83 C12(C(O)=O)CC3(C1(C)CCC23)C
MCULE-2341071601 0.83 C12(C)CCC3C(CC(C4(O)CC(=O)CCC34C)C)C1CC1CCCCC21C(C)=O
MCULE-6145821294 0.83 CC(C1(C(O)=O)CC2(CCC2)C1)CO
MCULE-6183947571 0.83 CC(C1C(C(C(O)=O)O)CCCCC1)C
MCULE-8962977101 0.83 C(O)(C(CCC(O)=O)CCC(O)=O)=O
MCULE-1790978687 0.83 CC(C(C1(C(O)=O)CC2(CCC2)C1)C)O
MCULE-3123546954 0.83 CC(CC1(C(O)=O)CC2(CCC2)C1)(O)C
MCULE-9768222609 0.83 C(C(O)=O)(C(O)=O)CCCCCCCCCCC(C(O)=O)C(O)=O
MCULE-8533691455 0.83 C1(CCC(C)C1(C)C)C(O)C(O)=O
MCULE-9427286538 0.83 CC(C(CC1CC2C(C2)C1)=O)O
MCULE-3317258029 0.83 C1(=O)C2CCC1CC(CO)C2
MCULE-3689946882 0.83 C(O)(CCC1(CCC1)O)=O
MCULE-6445854186 0.83 CC(CC(CCC(=O)O)=O)=O
MCULE-5099930105 0.83 CC1C(C(C(O)=O)(O)C)CCCCC1
MCULE-2461205614 0.83 CC1CCC(C(O)=O)(O)CCC1
MCULE-5428373062 0.83 CC1C(=O)CCC1CC(O)=O
MCULE-8206008473 0.83 OC(C(O)=O)C1CCCCCC1
MolPort-002-319-535 0.83 C[C@@H]1CC2C3CCC4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(=O)CO
MolPort-006-110-183 0.83 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-011-526-796 0.83 CCC1CCC(O)(C1)C(O)=O
MolPort-022-465-522 0.83 OC(=O)CCCC(=O)C1CC1
MolPort-004-773-277 0.83 CC(=O)[C@@H]1C[C@H](C(O)=O)C1(C)C
MolPort-002-510-916 0.83 CCCCCCC(O)CC(O)[C@@H](O)CCCCCCCC(O)=O
MolPort-003-935-565 0.83 OC(=O)CCC(=O)C1CC1
MolPort-000-510-329 0.83 CC1(C)C2CC(O)C1(C)CC2=O
MolPort-039-240-601 0.83 OC(=O)C1(CC1)C(=O)C1CC1
MolPort-035-831-024 0.83 [Na+].CCCCCCCCC(O)CCC([O-])=O
MolPort-002-524-671 0.83 CC(=O)[C@@]1(O)CCC2[C@@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-894-319 0.83 CC(C)(CC(O)=O)C(CCC(O)=O)C(O)=O
MolPort-046-297-404 0.83 CCCCC(CC(O)=O)C(O)=O
MolPort-044-422-320 0.83 [Na+].CCCCC(O)CCC([O-])=O
MolPort-035-874-498 0.83 CCCCCC1C(O)CCC1CC(O)=O
MolPort-002-524-974 0.83 C[C@H]1C[C@H]2C3CC4CCCC[C@@]4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@H](O)C[C@]12O
MolPort-011-549-306 0.83 OC(=O)CC1(O)CCCC1
MolPort-026-972-364 0.83 OC(C1CCCCCC1)C(O)=O
MolPort-046-774-220 0.83 C[C@@]1(O)C[C@@H]2C[C@H]1CC2=O
MolPort-029-205-023 0.83 OC1CCC(CC(O)=O)C1
MolPort-044-846-801 0.83 OC1CC(=O)CCC11CCCC1
MolPort-002-525-692 0.83 C[C@H]1C[C@H]2C3CC4CCCC[C@@]4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C[C@]12O
MolPort-006-395-976 0.83 [13CH3][13C](=O)[13CH2][13C](=O)[13CH2]CC(O)=O
MolPort-044-520-223 0.83 [K+].CCCCCCC(O)CCC([O-])=O
MolPort-044-798-564 0.83 OC(=O)C1CC2CCCC12
MolPort-042-675-258 0.83 CCCCCCC(CC(O)=O)C(O)=O
MolPort-042-675-327 0.83 CCCCCCC(CCC(O)=O)C(O)=O
MolPort-038-073-790 0.83 O[C@H]1CC[C@H](CC(O)=O)C1
MolPort-000-156-235 0.83 CCCCCCCCCCCCCCCCC(C(O)=O)C(O)=O
MolPort-003-935-569 0.83 OC(=O)CC1CCCC1=O
MolPort-046-147-987 0.83 CC1(C)C(O)CC1CC(O)=O
MolPort-035-771-393 0.83 OC(=O)C1CCCC(=O)CC1
MolPort-038-086-659 0.83 CC(=O)CC1(CCCC1)C(O)=O
MolPort-006-135-077 0.83 OC(=O)C(CCCCCCCCCCC(C(O)=O)C(O)=O)C(O)=O
MolPort-038-073-831 0.83 O[C@@H]1CCC[C@H]1CC(O)=O
MolPort-046-596-423 0.83 CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(O)C[C@]12O
MolPort-039-052-493 0.83 CC1(C)[C@H]2CC[C@@]34C[C@H](CC[C@H]3[C@]2(C)CCC1=O)[C@](O)(CO)C4
MolPort-046-596-303 0.83 CCCCCCC(O)CC(O)C(O)CCCCCCCC(O)=O
MolPort-011-549-443 0.83 OC(CC(O)=O)C1CCCC1
MolPort-003-940-967 0.83 CC(=O)CC(=O)CCC(O)=O
MolPort-023-162-174 0.83 CC(C)CC(CCC(O)=O)C(O)=O
MolPort-046-596-280 0.83 CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C[C@]12O
MolPort-046-596-258 0.83 CC(=O)[C@@]1(O)CCC2C3C[C@H](O)C4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-022-366-694 0.83 OC(=O)C(=O)C1CCCC1
MolPort-028-952-135 0.83 CC(=O)[C@H]1C[C@@H](C(O)=O)C1(C)C
MolPort-001-917-576 0.83 CC(CCCCCCCCCCCCCCCO)(C(O)=O)C(O)=O
MolPort-001-783-896 0.83 CCCC(CCC(O)=O)C(O)=O
MolPort-001-917-569 0.83 CC(CCCCCCCCCCCCCO)(C(O)=O)C(O)=O
MolPort-003-941-596 0.83 [Na+].CCCCCC(O)CCCC([O-])=O
MolPort-013-779-835 0.83 OC(C1CCCC1)C(O)=O
MolPort-022-368-567 0.83 CC1C(CC(O)=O)CCC1=O
MolPort-002-508-513 0.83 OCCCCCCCCCCCC(C(O)=O)C(O)=O
MolPort-002-139-616 0.83 CC1CC2C3CC4CCCCC4(C(C)=O)C3(C)CCC2C2(C)CCC(=O)CC12O
MolPort-002-139-624 0.83 CC1CC2C3CC4CCCCC4(C(C)=O)C3(C)CCC2C2(C)CCC(O)CC12O
MolPort-039-033-210 0.83 CCCCCCCCCCCCCCCCC(C)(C(O)=O)C(O)=O
MolPort-004-957-443 0.83 CC(C)(C)C(=O)C1C2CCC1C(O)C2
MolPort-029-078-566 0.83 O[C@H]1CC[C@@H](CC(O)=O)C1
MolPort-026-627-226 0.83 CC1(C)CCCC(O)(CC1)C(O)=O
MolPort-002-132-473 0.83 OC(=O)CCC(CCC(O)=O)C(O)=O
MolPort-039-032-959 0.83 CCCCCCCCCCCCCCCCCCC(C)(C(O)=O)C(O)=O
MolPort-045-902-841 0.83 CC(=O)C(O)CC1C(C)(O)CCC2C(C)(C)CCCC12C
MolPort-011-549-301 0.83 OC(=O)CC1(O)CCCCCC1
MolPort-022-366-672 0.83 OC(=O)CC1CCC(=O)C1
MolPort-046-791-675 0.83 OC(=O)C1CC[C@@H]2CC[C@H]12
MolPort-000-421-925 0.83 CC12CC3(C1CCC23C)C(O)=O
MolPort-038-073-882 0.83 O[C@@H]1CC[C@H](CC(O)=O)C1
MolPort-006-394-729 0.83 CC(CCCO)C1CCC2[C@@H]3C(O)CC4CC(=O)CC[C@]4(C)C3CC(O)[C@]12C
MolPort-000-004-337 0.83 OC(=O)C1(O)CCCCCC1
MolPort-027-641-205 0.83 C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-020-168-273 0.83 [Na+].CCCCCCCC(O)CCC([O-])=O
MolPort-003-802-287 0.83 CCCCCCCCCCC(CC(O)=O)C(O)=O
MolPort-046-689-548 0.83 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-028-610-007 0.83 CC1(C)C2CC[C@@]34CC(CC[C@H]3[C@]2(C)CCC1=O)[C@](O)(CO)C4
MolPort-024-582-419 0.83 CC(C)(C)CCC1(O)CC(C1)C(O)=O
MolPort-029-943-055 0.83 CC(CCCC(C)(O)C1CCC(C)(O)C1C)C(O)=O
MolPort-009-198-334 0.83 OC(=O)C1CCCCC(=O)C1
MolPort-001-787-026 0.83 OC1(CCCCC1)C1CCCCC1(O)C1CCCCC1=O
MolPort-026-623-162 0.83 CC1CCCC(O)(CC1)C(O)=O
MolPort-002-583-956 0.83 CCCCCCC(CC(O)=O)CC(O)=O
MolPort-046-203-642 0.83 OC1CC(CC(O)=O)C11CCC1
MolPort-046-701-300 0.83 O[C@H](C1CCCC1)C(O)=O
MolPort-046-647-188 0.83 O[C@@H]1C[C@H]2C[C@@H]1CC2=O
MolPort-003-665-658 0.83 CCCCCC1C(CC(O)=O)CCC1=O
MCULE-6365374961 0.82 CC(C1C(CC=O)(O)CCCCC1)C
MCULE-3100717907 0.82 C1(=O)CCCC(O)C1
MCULE-9072643820 0.82 C(C)(C)C(=O)CCC(=O)O
MCULE-7142319563 0.82 CC(CC1C(=O)CCCCC1)(CO)C
MCULE-7796922508 0.82 C(O)(=O)C(CCCC)=O
MCULE-6696855762 0.82 C(CCCC(C)O)(O)=O
MCULE-6653280663 0.82 CC(CC1C(=O)CCC1)(CO)C
MCULE-3801434421 0.82 CC1C(CC=O)(O)CCCCC1
MCULE-4165319809 0.82 CC(C(=O)CCC(=O)O)(C)C
MCULE-3776577040 0.82 CCCC[C@H](CO)C(=O)O
MCULE-7779948223 0.82 C(O)(=O)C(C)(O)CCC(C)C
MCULE-9880770190 0.82 CC1C(CCC=O)(O)CCCCC1
MCULE-7360611998 0.82 CCC1C(CC=O)(O)CCCCC1
MCULE-2467523561 0.82 C(O)(=O)CC(C)C(C)C(C)=O
MCULE-2891360225 0.82 C(C)(CC(C)C(=O)O)C(=O)C
MCULE-2536433460 0.82 C(C(O)CC(C)C)C(O)=O
MCULE-7082436494 0.82 C(C(C)(CCC)O)C(O)=O
MCULE-4581279785 0.82 C(O)(C(CCCO)CCC)=O
MCULE-3362779243 0.82 O=C1CC2(CC(O)C2)C1
MCULE-8257059661 0.82 C1(=O)CC23CCCCCCCCCCC2(CC(C)(O)C3)C1
MCULE-4923930414 0.82 C12(CC(C1)=O)CC(C2)(CO)CO
MCULE-6115049357 0.82 C12(CC(C1)C(O)=O)CC2
MCULE-9335475635 0.82 C(O)(=O)C(=O)CCC(C)(C)C
MCULE-9124111940 0.82 C(O)(CCC(C)C(C)=O)=O
MCULE-3158579605 0.82 CCCC(CC(O)=O)O
MCULE-7988753662 0.82 C(O)(=O)C(CCC)CC(C)=O
MCULE-2557585903 0.82 C(O)(C(CCCC)O)=O
MCULE-2498129200 0.82 CC(CCCC(O)=O)=O
MCULE-4505750030 0.82 C(O)(CCC(CC)=O)=O
MolPort-035-765-263 0.82 CC(C)(C)CCC(=O)C(O)=O
MolPort-021-019-801 0.82 OC(=O)C1CC2(CC2)C1
MolPort-001-792-054 0.82 CC(=O)CCCC(O)=O
MolPort-002-469-850 0.82 CC(O)CCCC(O)=O
MolPort-002-131-365 0.82 CC(CCC(O)=O)C(C)=O
MolPort-046-688-711 0.82 [2H]C([2H])([2H])C(=O)C([2H])([2H])CCC(O)=O
MolPort-019-614-246 0.82 CC(=O)CC(C)(C)CC(O)=O
MolPort-022-878-938 0.82 OC(=O)C12CC(C1)CC2
MolPort-002-507-001 0.82 CCCC(CC(C)=O)C(O)=O
MolPort-042-621-041 0.82 CC(C)CCC(=O)C(O)=O
MolPort-003-848-113 0.82 CCCC(CCCO)C(O)=O
MolPort-012-466-135 0.82 CC(C)(C)C(=O)CCC(O)=O
MolPort-003-925-818 0.82 [Fe].[CH]1[CH][CH][CH][CH]1.OC(=O)[C]1[CH][CH][CH][CH]1
MolPort-003-925-819 0.82 [Fe].OC(=O)[C]1[CH][CH][CH][CH]1.OC(=O)[C]1[CH][CH][CH][CH]1
MolPort-022-368-952 0.82 CC(=O)C(C)(C)CCC(O)=O
MolPort-019-879-106 0.82 CCCCC(=O)C(O)=O
MolPort-014-557-449 0.82 CC(C)CCC(C)(O)C(O)=O
MolPort-000-004-277 0.82 CCCC(O)CC(O)=O
MolPort-022-368-897 0.82 CC(=O)CCC(C)(C)C(O)=O
MolPort-008-643-782 0.82 CC(C)CC(O)CC(O)=O
MolPort-044-195-578 0.82 CC1(CC2(CC2)C1)C(O)=O
MolPort-004-961-700 0.82 CCCC(C)(O)CC(O)=O
MolPort-013-488-827 0.82 CC(C)(C)CC(O)CC(O)=O
MolPort-022-368-919 0.82 CC(CC(O)=O)C(C)C(C)=O
MolPort-023-330-995 0.82 CCCC[C@H](CO)C(O)=O
MolPort-001-793-005 0.82 CCCCC(O)C(O)=O
MolPort-046-147-776 0.82 O[C@H]1C[C@H]2CC(=O)C[C@H]2C1
MolPort-025-703-325 0.82 OC1CCCC(=O)C1
MolPort-001-787-692 0.82 CCC(=O)CCC(O)=O
MCULE-8526884552 0.81 CCCC1(C(O)=O)CCC1
MCULE-3957124047 0.81 CC(CC1(C(O)=O)CCC1)C
MCULE-8404791894 0.81 C1(C(CCC)C(O)=O)CC1
MCULE-3978349845 0.81 C(=O)CCCCCO.[H]Cl
MCULE-3376996312 0.81 CCC(C1(C(O)=O)CC(C)C1)C
MCULE-3394217601 0.81 CC(C(C1(C(O)=O)CC(C)C1)C)C
MCULE-8409073383 0.81 C1(CC1)C(CC(C)C)C(O)=O
MCULE-4799083200 0.81 CCCC(C(=O)[O-])CCC.[Na+]
MCULE-1384022680 0.81 OC(C(C1CC1)C1CC1)=O
MolPort-006-132-711 0.81 [Mg++].CCCC(CCC)C([O-])=O.CCCC(CCC)C([O-])=O
MolPort-020-173-700 0.81 CCCC1(CCC1)C(O)=O
MolPort-003-666-306 0.81 [Na+].CCCC(CCC)C([O-])=O
MolPort-014-559-214 0.81 OC(=O)C(C1CC1)C1CC1
MolPort-046-426-208 0.81 [Na+].[2H]C([2H])(CC)C(C([O-])=O)C([2H])([2H])CC
MolPort-046-761-762 0.81 Cl.Cl.OCCCCCC=O
MolPort-006-167-562 0.81 [Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O
MolPort-020-173-701 0.81 CC(C)CC1(CCC1)C(O)=O
MolPort-046-426-253 0.81 [NaH].CCCC(CCC)C(O)=O.CCCC(CCC)C(O)=O
MolPort-044-559-948 0.81 [Na+].[Na+].[Na+].CCCC(CCC)C([O-])=O.CCCC(CCC)C([O-])=O.CCCC(CCC)C([O-])=O
MCULE-6643477591 0.80 C1(C(=O)O)C2CCC1C(C2)O
MCULE-7636960309 0.80 C12(CCC(C(O)C1)(C)C2(C)C)C(O)=O
MCULE-2070546888 0.80 CCCC(C(O)=O)CC
MCULE-5708754158 0.80 C12(CCC(C(=O)C1)(C)C2(C)C)C(O)=O
MCULE-8914418285 0.80 C1(=O)CC2C(C(O)=O)C1CC2
MCULE-9298455866 0.80 CCCC(C(O)=O)C(C)C
MCULE-3770837686 0.80 O[C@H]1C[C@@H](C(O)=O)C[C@@H](C(O)=O)C1
MCULE-4248316159 0.80 CC(CC(C(O)=O)C(C)C)C
MCULE-9619756057 0.80 C12CCC(CC1C(O)=O)C2=O
MCULE-2595748887 0.80 C12(C(C)C(C(C1C(C)C)=O)C(O)(C)CC2)CC(O)=O
MCULE-1897324690 0.80 C1CCC2C(C2(C(O)=O)C(O)=O)C1
MCULE-9157922864 0.80 C1(C(O)=O)CC2C(O)C1CC2
MCULE-7958779000 0.80 C(O)(=O)C(CC)C1CCC(OC)CC1
MCULE-3919557498 0.80 C12(CCC(C(O)C1(C)C)C2)C(O)=O
MCULE-5978315704 0.80 C12(CCC(C(=O)C1(C)C)C2)C(O)=O
MCULE-3318260327 0.80 C1(C(C2C(CC1C(=O)C2)=O)(C(=O)O)[H])([H])C(=O)O
MCULE-8968916149 0.80 C1CC(CCC1=O)(C(O)=O)C(O)=O
MCULE-3618031662 0.80 C12(C(O)=O)CC3CC(C1=O)CC(C3=O)(C(O)=O)C2
MCULE-2557760328 0.80 C(O)(=O)C(CC)(C)CCC
MCULE-4216700038 0.80 C(O)(CC1CCC(OC)CC1)=O
MCULE-8414652948 0.80 C(O)(C1(C)C2(C)C(CC1CC2)=O)=O
MCULE-9700201943 0.80 C12(O)C(C)(CO)CC(C)(C)C1CCC(C)C2C(O)=O
MCULE-6770606096 0.80 O=C1C2(CCCC1)CC2C(O)=O
MCULE-5215518236 0.80 CCC(C(O)=O)CC(C)C
MCULE-8682023949 0.80 C1(C(O)=O)C(=O)C2CCCC(C2)C1CC(O)=O
MCULE-5367470192 0.80 CC1C(C(=O)O)C(C(=O)O)CC(=O)C1
MolPort-039-338-365 0.80 C[C@@H]1C2C[C@@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2)C(O)=O)C1=O
MolPort-016-584-165 0.80 OC(=O)CC1C2CCCC(C2)C(=O)C1C(O)=O
MolPort-044-832-157 0.80 OC(=O)[C@@H]1CCC(=O)C[C@@H]1C(O)=O
MolPort-012-194-010 0.80 CC(C)CC(C(C)C)C(O)=O
MolPort-000-421-913 0.80 CC1(C)C2(C)CCC1(CC2O)C(O)=O
MolPort-003-658-774 0.80 COC1CCC(CC(O)=O)CC1
MolPort-006-132-591 0.80 CCCC(C(C)C)C(O)=O
MolPort-046-472-232 0.80 O[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
MolPort-012-193-887 0.80 CCC(CC(C)C)C(O)=O
MolPort-035-745-952 0.80 CC1CC(=O)CC(C1C(O)=O)C(O)=O
MolPort-002-894-312 0.80 OC1CC2CCC1C2C(O)=O
MolPort-044-558-777 0.80 OC(=O)C12CCC(C1)(CCC2)C(O)=O
MolPort-016-583-816 0.80 OC(=O)C12CC3CC(CC(C1)(C(O)=O)C3=O)C2=O
MolPort-000-189-418 0.80 CC1(C)C2(C)CCC1(CC2O)C([O-])=O
MolPort-000-421-903 0.80 CC1(C)C2(C)CCC1(CC2=O)C(O)=O
MolPort-006-123-148 0.80 CCCC(CC)C(O)=O
MolPort-046-651-306 0.80 COC1CCC(CC1)[C@@H](C)C(O)=O
MolPort-046-652-234 0.80 COC1CCC(CC1)[C@H](C)C(O)=O
MolPort-000-189-406 0.80 CC1(C)C2(C)CCC1(CC2=O)C([O-])=O
MolPort-006-116-800 0.80 CCCC(C)(CC)C(O)=O
MolPort-023-274-342 0.80 CC1CCC2C(C)(C)CC(C)(CO)C2(O)C1C(O)=O
MolPort-003-179-801 0.79 CC1(C)CC23C1CCC2(C)C(O)CCC3=O
MolPort-009-018-329 0.79 CCCCC[C@@H](O)CC[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
MolPort-001-739-570 0.79 CCCCCC(O)CC(O)CC(O)=O
MolPort-046-069-896 0.79 OC(=O)C(CC1CCC1)C(O)=O
MolPort-000-279-452 0.79 CC1(C)C(CCC1(C)C(O)=O)C(O)=O
MolPort-039-052-618 0.79 C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
MolPort-002-507-460 0.79 CC(=O)[C@@]1(O)CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
MolPort-002-888-582 0.79 OC(=O)CC1(CCCC1)C(O)=O
MolPort-046-147-802 0.79 [Na+].OCC1(CC([O-])=O)CCCC1
MolPort-002-111-674 0.79 CC1C(CC(C(O)=O)C1(C)C)C(O)=O
MolPort-028-750-504 0.79 OC(=O)C1(CC2(CCC2)C1)C(O)=O
MolPort-039-138-867 0.79 CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-003-800-311 0.79 OC(=O)C(CC1CC1)(C1CC1)C(O)=O
MolPort-046-508-790 0.79 OC1CCC2CCC1C2=O
MolPort-004-970-448 0.79 CCCCCCC1C(C(C)=O)C(=O)CC(C)(O)C1C(C)=O
MolPort-039-241-067 0.79 [Na+].OC1(CCC([O-])=O)CCC1
MolPort-009-198-941 0.79 CC1C(CCC1(C)C([O-])=O)C([O-])=O
MolPort-002-894-340 0.79 OC(=O)C1CCCC1C(O)=O
MolPort-001-835-402 0.79 OC(=O)CC1(CC(O)=O)CCCCCC1
MolPort-003-927-879 0.79 CC1(C)[C@@H](CC[C@]1(C)C(O)=O)C(O)=O
MolPort-003-179-156 0.79 CCCCCCCCC1CC1(C(O)=O)C(O)=O
MolPort-009-019-325 0.79 CCCCCC(=O)CC[C@@H]1C(CCCCCCC(O)=O)C(O)CC1=O
MolPort-028-916-661 0.79 CCCC1CC(C1)(C(O)=O)C(O)=O
MolPort-003-906-432 0.79 OC1C2C3C4C2C(=O)C2C4CC3C12
MolPort-046-153-351 0.79 CCCCC1CC(C1)(C(O)=O)C(O)=O
MolPort-002-558-898 0.79 CC1C(C(C)=O)C(=O)CC(C)(O)C1C(C)=O
MolPort-002-536-910 0.79 CC1(CC11CC1(C)C(O)=O)C(O)=O
MolPort-000-227-813 0.79 OC(=O)CC1(CC(O)=O)CCCC1
MolPort-046-596-302 0.79 CC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-008-420-860 0.79 OC(=O)C1(CC2(CC(=O)C2)C1)C(O)=O
MolPort-002-510-092 0.79 OC12CCCCC1CC1CC[C@@H]2C1=O
MolPort-002-528-375 0.79 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-002-911-112 0.79 C[C@@H]1CC2C3CCC4CC(O)CCC4(C)C3[C@H](O)CC2(C)[C@@]1(O)C(C)=O
MolPort-016-580-598 0.79 OC(=O)C(C1CCCC1)C(O)=O
MolPort-002-911-081 0.79 CC1CC2C3CC[C@H]4CC(O)CCC4(C)C3[C@H](O)CC2(C)[C@@]1(O)C(C)=O
MolPort-002-500-643 0.79 OC(=O)[C@H]1CCC[C@H]1C(O)=O
MolPort-028-777-299 0.79 CC1CC(C(C1)C(O)=O)C(O)=O
MolPort-002-911-105 0.79 CC(=O)[C@@]1(O)CCC2C3CC[C@@]4(C)CC(=O)CCC4(C)C3C(=O)CC12C
MolPort-002-500-644 0.79 OC(=O)[C@@H]1CCC[C@H]1C(O)=O
MolPort-003-927-875 0.79 CC1(C)[C@H](CC[C@@]1(C)C(O)=O)C(O)=O
MolPort-027-640-903 0.79 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-022-148-225 0.79 OC1CC2(CC2C(O)=O)C1
MCULE-5772739452 0.79 [C@H]1(CCC[C@H]1C(=O)O)C(=O)O
MCULE-6069018267 0.79 C12(CCC(C1(C)C)(C=O)C2)C(O)=O
MCULE-2640618760 0.79 C1(C)(O)CC(=O)C(C(C)C1C(C)=O)C(C)=O
MCULE-2578057478 0.79 OC(CC1(C2(CCCC2)CC1)O)=O
MCULE-8329888745 0.79 C(C(=O)O)(C(=O)O)C1CCCC1
MCULE-6178294997 0.79 C12(CCC(C1(C)C)(CO)C2)C(O)=O
MCULE-5449345895 0.79 CC1CC(C(O)=O)C(C(O)=O)C1
MCULE-7617843574 0.79 C1(CCC(C)C1)(CC(=O)O)CC(=O)O
MCULE-7875023459 0.79 C123C(=O)CCC(O)C1(C)CCC2C(C)(C)C3
MCULE-3244409567 0.79 OC(C(O)=O)C1C2(CCCC2)CC1
MCULE-4782314892 0.79 OC(C1(C2(CCCC2)CC1)O)=O
MCULE-1950757998 0.79 CC1([C@](C(=O)O)(C)CC[C@H]1C(=O)O)C
MCULE-5609850019 0.79 CC(C1(C2(CCCC2)CC1)O)C(O)=O
MCULE-8928648088 0.79 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)(CCC3C1CC2)C(C)(O)[H])=O
MCULE-7456688560 0.79 C1(C)(C)C(C)C(CC1C(O)=O)C(O)=O
MCULE-3013884259 0.79 O=C1CCCC2(C(O)CC3C4CCC(C4(C)CCC3C21CO)=O)[H]
MCULE-3020713335 0.79 O=C1CCC2(C)C3(O)C(CC4(C)CC(O)CC4C3CCC2(C1)[H])=O
MCULE-3996975707 0.79 CC(C(O)=O)(C1C2(CCCC2)CC1)O
MCULE-8254048903 0.79 [H]C12CC(O)CCC1(C)C1C(CC3(C)CC(O)CC3C1C(O)C2)=O
MCULE-2023555109 0.79 C12(CC1(C)C(O)=O)CC2(C)C(O)=O
MCULE-9235794463 0.79 C1(C)(C)C(C)(CCC1(C)C(O)=O)C(O)=O
MCULE-9030797761 0.79 [H]C12CC(O)CCC1(C)C1CCC3(CO)CC(O)CC3C1C(C2)=O
MCULE-1601740217 0.79 O=C1CC2(O)CCCCC2(C)C2CCC3(C)C(CCC3C21)=O
MCULE-7666938493 0.79 OC1C2C3C4CC2C2C4C(C3=O)C12
MCULE-2383064816 0.79 C1(CC(O)=O)(C(O)=O)CCCC1(C)C
MCULE-4946417204 0.79 C1(CC(O)=O)(C(O)=O)CCC(C)(C)C1
MCULE-7328521882 0.79 C1(CC(=O)O)(CC(=O)O)CCCCCC1
MCULE-4214835076 0.79 C1(C)(CCC(C(O)=O)C1(C)C)C(O)=O
MCULE-1489247155 0.79 C1(CC2(CCC2)C1)(C(O)=O)C(O)=O
MCULE-9290354960 0.79 C(CC1CC1)(C(O)=O)(C(O)=O)C1CC1
MCULE-1446289266 0.79 C1(CC(C1)CCCC)(C(O)=O)C(O)=O
MCULE-6406845010 0.79 C1(C)(C)C(CCC1C(O)=O)C(O)=O
MCULE-1539151646 0.79 C1CCC(C(CC1)C(O)=O)C(O)=O
MCULE-8327980560 0.79 CC(C1(C2(CCCC2)CC1)O)(C(O)=O)C
MCULE-2410735377 0.79 C1(C(O)=O)(C(O)=O)CC1CCCCCCCC
MCULE-5697334554 0.79 C1(CC2(C1)CC(C2)O)(C(O)=O)C(O)=O
MCULE-5700412565 0.79 C1(CC(C1)CC(C)C)(C(O)=O)C(O)=O
MCULE-6341821631 0.79 C1(CC2(C1)CC1(C2)CC(C1)=O)(C(O)=O)C(O)=O
MCULE-1370613174 0.79 OC(C1C(C(O)=O)CCC1)=O
MCULE-6488319727 0.79 O=C1CCCC2(CC(C3C4CCC(C4(C)C(O)CC3C21C)C(C)=O)=O)[H]
MCULE-6505487662 0.79 CC1CC(C(O)=O)(C2C(O)CCC2)C1
MCULE-7817942434 0.79 [C@]12(C)CC(=O)[C@@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)C1CC[C@]2(O)C(C)=O)[H]
MCULE-6923663809 0.79 [C@@H]1(C(O)=O)CCC[C@H]1C(O)=O
MCULE-2512006733 0.79 CC1CC(C(O)=O)(C2C(O)(C)CCC2)C1
MCULE-7262774135 0.79 C1(C(O)=O)(C(O)=O)C2C1CCCCCC2
MCULE-2898188373 0.79 O=C(O)[C@@H]1CCC[C@@H]1C(=O)O
MCULE-6204538129 0.79 CCC(C(O)=O)(C1C2(CCCC2)CC1)O
MCULE-1530106878 0.79 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)(CCC3C1CC2)C(C)=O)=O
MCULE-9811591517 0.79 C1(C)(CC(O)=O)C(=O)CCC1=O
MCULE-4303833280 0.79 C(CC1CCC1)(C(O)=O)C(O)=O
MCULE-5970986484 0.79 C1(C)(O)CC(=O)C(C(CCCCCC)C1C(C)=O)C(C)=O
MCULE-5097614569 0.79 C12(C)C[C@H](C3C4(C)CCC(O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)C)O
MCULE-7839970640 0.79 [C@@]1(C)(CC[C@H](C(O)=O)C1(C)C)C(O)=O
MCULE-6907877071 0.79 [Na+].OC1(CCC1)CCC([O-])=O
MCULE-3860345057 0.79 C12C(=O)CC3(C)[C@@](CCC3C1CC[C@@]1(C)CC(CCC21C)=O)(O)C(=O)C
MCULE-8399847709 0.79 [C@@]1(C)(CC[C@H](C(O)=O)C1(C)C)C(O)=O
MCULE-7871735686 0.79 [C@]1(C)(CC[C@@H](C(O)=O)C1(C)C)C(O)=O
MCULE-6310805409 0.79 OC(CCC1(C2(CCCC2)CC1)O)=O
MCULE-3955505328 0.79 C1(CC(C1)CCC)(C(O)=O)C(O)=O
MCULE-5558936340 0.79 C1(C(=O)O)(CC(=O)O)CCCC1
MCULE-3475821180 0.79 C12(CCC(C1([H])C(C(O)=O)CC2)C(O)=O)[H]
MCULE-3522338549 0.79 C1(CCCC1)(CC(O)=O)CC(O)=O
MCULE-4471913177 0.79 [C@]12(C)CC(=O)[C@]3([C@@]([H])(CC[C@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
MCULE-5571258641 0.79 C(C(CC(O)CCCCC)O)C(=O)O
MCULE-9147662538 0.79 CCC(C1(C2(CCCC2)CC1)O)C(O)=O
MolPort-030-004-987 0.78 CC(=O)CC1(CCC1)C(O)=O
MolPort-004-769-182 0.78 CC(=O)C12CC(C1)(C2)C(O)=O
MolPort-011-549-444 0.78 OC(=O)CC1(O)CCC1
MolPort-023-278-789 0.78 OC(=O)C(=O)C1CCC1
MolPort-046-673-491 0.78 C[C@@H]1C[C@]2(C[C@@H]12)C(O)=O
MolPort-001-783-824 0.78 CCCCC(C(O)=O)C(O)=O
MolPort-011-549-311 0.78 CC(O)(CC(O)=O)C1CC1
MolPort-035-942-779 0.78 CC[C@]1(O)C[C@](C)(C1)C(O)=O
MolPort-044-432-434 0.78 OC(=O)C12CC1CC2
MolPort-038-947-803 0.78 CC(C)CC(C)(CC(O)=O)CC(O)=O
MolPort-006-394-601 0.78 [Na+].CCCC(CCCO)C([O-])=O
MolPort-009-683-195 0.78 CC(C)CC(CC(O)=O)CC(O)=O
MolPort-038-948-610 0.78 [Li+].CC(C)(O)CCCC([O-])=O
MolPort-038-949-000 0.78 CC(C)(C)CC(CC(O)=O)C(O)=O
MolPort-020-168-099 0.78 [Na+].CC(O)CCCC([O-])=O
MolPort-042-620-964 0.78 [Na+].CCCCC(=O)C([O-])=O
MolPort-035-772-347 0.78 O[C@H](CC1CC1)C(O)=O
MolPort-022-467-920 0.78 CC(O)(C1CCC1)C(O)=O
MolPort-046-647-269 0.78 C[C@@H]1C[C@@]2(C[C@H]12)C(O)=O
MolPort-020-097-761 0.78 OC1CCCC1C(O)=O
MolPort-035-942-780 0.78 CC[C@@]1(O)C[C@](C)(C1)C(O)=O
MolPort-000-004-338 0.78 OC(=O)C1(O)CCCC1
MolPort-046-420-210 0.78 [Li+].CC(C)(C)C(O)CCC([O-])=O
MolPort-039-070-762 0.78 OC(=O)CC1CC(=O)C1
MolPort-002-501-632 0.78 CCCC(CC(O)=O)CC(O)=O
MolPort-035-749-116 0.78 [K+].CCCC(CCCO)C([O-])=O
MolPort-046-419-926 0.78 OC(=O)C1C2CCC12
MolPort-027-634-801 0.78 OC(C1CCC1)C(O)=O
MolPort-044-628-498 0.78 CC(C)CC(CC(O)=O)C(O)=O
MolPort-035-941-984 0.78 CC1(C)C(CC1=O)C(O)=O
MCULE-4697861595 0.78 C(C1(CCC1)O)C(O)=O
MCULE-9332320504 0.78 CC(CC(C(=O)O)CC(=O)O)(C)C
MCULE-8418088728 0.78 OC1(C2(CCCC2)CC1)CCC=O
MCULE-8654161103 0.78 C1(C(O)=O)CC(=O)C1(C)C
MCULE-4575533706 0.78 C(=O)(CCCC)C([O-])=O.[Na+]
MCULE-9500236289 0.78 O=C(O)C1CCCC1=O
MCULE-7888882967 0.78 O=C(CC(CC(=O)O)CC(C)C)O
MCULE-2843513529 0.78 C(C(=O)O)C(=O)C1CC1
MCULE-4493343687 0.78 C(CCCC)(C(O)=O)C(O)=O
MCULE-6540318880 0.78 C(CC(CCC)CC(=O)O)(=O)O
MCULE-1785493425 0.78 C(C(O)C1CC1)C(O)=O
MCULE-8520903082 0.78 OC([C@H]1C[C@H](C(O)=O)C1)(C)C
MCULE-2147028492 0.78 OC(C1(CCCC1)O)=O
MCULE-5352096496 0.78 CCCC(C([O-])=O)CCCO.[Na+]
MCULE-4467363537 0.78 C1(CO)(C(C)CC1)C(O)=O
MCULE-9421331312 0.78 CC(C(C1(C(O)=O)CC(C)C1)C)O
MCULE-9236214878 0.78 [C@@]1(C)(C[C@@](C1)(CC)O)C(O)=O
MCULE-5534286219 0.78 [C@]1(C)(C[C@@](C1)(CC)O)C(O)=O
MCULE-3680158952 0.78 C(O)(=O)C(C1CCC1)=O
MCULE-1126799973 0.78 CC(C1CC1)(CC(=O)O)O
MCULE-9128202618 0.78 OC1(C2(CCCC2)CC1)CC=O
MCULE-4288241316 0.78 CC(CC1(C(O)=O)CC(C)C1)O
MCULE-5236898540 0.78 C1(CC(C1)CC(O)=O)=O
MCULE-7740494752 0.78 CC(CC1(C(O)=O)CCC1)=O
MCULE-7722587632 0.78 CC(CCCC([O-])=O)O.[Na+]
MCULE-5519958446 0.78 OC1C(C(O)=O)CCC1
MolPort-022-468-641 0.77 OC(=O)C1(CCC1)C1CC1
MolPort-039-054-991 0.77 CC(C)CC(CCO)C([O-])=O
MolPort-035-683-987 0.77 OCC1CCCC1=O
MolPort-009-684-915 0.77 CC(=O)C1(O)CCCC1
MolPort-014-557-387 0.77 CCCC(O)(CCC)C(O)=O
MCULE-1828500624 0.77 C(O)(=O)C1CCC(CC1)C(C)N
MCULE-6640903353 0.77 C12(CC3CC(CC(C3)(CCN)C1)C2)C(O)=O
MCULE-9481035382 0.77 COC(C1(CCCC2(C)C1CCC1C2CCC(C(C)C)C1)C)=O
MCULE-9187132605 0.77 COC(CC1CCC(C)CC1)=O
MCULE-4204619980 0.77 C1(C(=O)OC)CCC(C(C)(C)C)CC1C
MCULE-1476548192 0.77 COC(CC1C2CCC(CC2)C1)=O
MCULE-5965178820 0.77 [C@@H]1(C(OC)=O)CC[C@@H](CO)CC1
MCULE-2868709429 0.77 C1C(CCC(C1)C(OC)=O)C(=O)OC
MCULE-3703985963 0.77 O=C(O)[C@@H]1CC[C@@H](C#N)CC1
MCULE-9863369384 0.77 C12(CCC(C(=O)CC1=O)(C)C2(C)C)C(O)=O
MCULE-2461824337 0.77 C12C3CC4C(C3C(C(=O)O)C1C(=O)O)C24
MCULE-2819508397 0.77 O=C(C[C@@H]1CC[C@@H](CN)CC1)O
MCULE-2466722356 0.77 [C@]12([H])C[C@]3([H])C(=O)[C@@]1([H])[C@@]2([H])[C@@H]3C(O)=O
MCULE-5975852357 0.77 C12(CC3CC(CC(C3)C1)C2)CC(OC)=O
MCULE-7750035640 0.77 C1C[C@@]2(C(O)=O)CC[C@@]1(CC2)C(OC)=O
MCULE-7156037743 0.77 COC([C@@H]1CC[C@@H](C(O)=O)CC1)=O
MCULE-3689833323 0.77 O=C(OC)[C@@H]1CC[C@@H](C(=O)C)CC1
MCULE-7784789459 0.77 O=C(CC1CCC(N)CC1)O
MCULE-3578215541 0.77 C(O)(CCC1CCC(CC1)N)=O
MCULE-1427868111 0.77 C(O)(CCC1CCCC(C1)N)=O
MCULE-9055006833 0.77 C1(C(O)=O)CC(C(O)=O)C(CC1C(O)=O)C(O)=O
MCULE-6296571935 0.77 C12(CC3CC(CC(C3)(CCN)C1)C2)CC(O)=O
MCULE-1403211202 0.77 C1(O)C2(C)C3(CCCC(C(=O)O)(C)C1C3C(O)C2)C
MCULE-5737141883 0.77 COC(CC1CCC(=O)CC1)=O
MCULE-9171970685 0.77 O=C1CCCC1CO
MCULE-2628616078 0.77 CCCC(C(=O)O)(O)CCC
MCULE-4548605892 0.77 C(=O)([O-])C(CCO)CC(C)C
MCULE-4607553416 0.77 CC(C1(CCCC1)O)=O
MCULE-7996572612 0.77 C12(CC3CC(CC(C3)C1)C2)C(OC)=O
MCULE-9541431857 0.77 C12(C(O)=O)C(C)(C)C3(C(=O)C1C2C3)C
MCULE-9517970948 0.77 C1CC21C1C(C(O)=O)C(CC2CC1)C(O)=O
MCULE-2334440257 0.77 C12C(=O)C3C(C(O)=O)C1C2C3
MCULE-4393909687 0.77 C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
MCULE-4318395971 0.77 C12CC(=O)C(C)C31CC(C)(C)C2C(O)CC3C(=O)O
MCULE-3037480580 0.77 C(OC)(CCC1CCC(CC1)O)=O
MCULE-8939425255 0.77 C12(CC3CC(CC(C3)(C)C1)(C)C2)C(OC)=O
MCULE-5203012859 0.77 C12(CCC(C(=O)CC1=O)C2(C)C)C(O)=O
MCULE-6364712077 0.77 C(OC)(CCC1CCC(CC1)=O)=O
MCULE-1746530923 0.77 O=C(CC1CCC(O)CC1)OC
MCULE-6517872815 0.77 C12C(C(O)=O)C3C(O)C1C2C3
MCULE-6087008336 0.77 C(O)(=O)[C@H]1CC[C@@H](CC1)CN
MCULE-8504511485 0.77 COC(C1CCC2C(CCC(C(OC)=O)C2)C1)=O
MCULE-8999951767 0.77 C(O)(C1CCC2(O)C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
MCULE-1412442350 0.77 COC(C1CCC(C(O)=O)CC1)=O
MCULE-7828371205 0.77 C12(CCC(C(O)C1)(C)C2(C)C)C(=O)[O-].[Na+]
MCULE-3847352060 0.77 [C@@H]1(C(OC)=O)CC[C@@H](C=O)CC1
MCULE-7613259256 0.77 COC(CC12CC3CC(CC(C(OC)=O)(C3)C1)C2)=O
MCULE-8015129239 0.77 CC1(CC(=O)C(C(C(=O)O)=O)C(=O)C1)C
MCULE-2645461329 0.77 C12C3C1(C1(C4C3CC2C14)C(O)=O)C(=O)O
MCULE-3509032895 0.77 C(OC)(=O)C(C)CC1CCC(CC1)=O
MCULE-9065968430 0.77 C(O)(C1(C2C3C4C1C1C2C2CC1C4C23)C(O)=O)=O
MCULE-3327706131 0.77 C(CC1CCC(CCCCCCCC(OC)=O)CC1)(OC)=O
MCULE-6012248882 0.77 [C@@H]1(C(O)=O)CC[C@H](CN)CC1
MCULE-9063263498 0.77 [C@@H]1(C(=O)OC)CC[C@H](C(=O)O)CC1
MCULE-2973729270 0.77 C12(CCC(C(=O)C1)(C)C2(C)C)C(=O)[O-].[K+]
MCULE-5990177555 0.77 N[C@@H]1CC[C@@H](CC(=O)O)CC1
MCULE-2683887170 0.77 C(O)(=O)C(C)CC1CCC(CC1)N
MCULE-1633110228 0.77 C(OC)(=O)C(C)CC1CCC(CC1)O
MCULE-1417390255 0.77 [C@@H]1(C(OC)=O)CC[C@@H](C(OC)=O)CC1
MCULE-8692118131 0.77 OC(CC1CC(C#N)CCC1)=O
MCULE-3624654648 0.77 C(C)(C)(C(OC)=O)C1CCCCC1C(C)(C)C(OC)=O
MCULE-6850082589 0.77 C(OC)(C1CCCCC1)=O
MCULE-1361674000 0.77 C1(CC2CCCC(C2C)C1)C(OC)=O
MCULE-3462267366 0.77 C(C)(C)(C1CCCCC1)CC(OC)=O
MCULE-2034776344 0.77 O=C(O)[C@@H]1CC[C@H](C(=O)O)C[C@@H]1C(=O)O
MCULE-1766131935 0.77 C1C2(CCC(C(O)=O)CC2)CO1
MCULE-4713145304 0.77 C1C[C@]2(C)[C@@]([H])(CC[C@@H](C)CCO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-7224159278 0.77 C12(C(=O)C3C4C(C5C1C1CCC(O)C1C35)C2C1C(CCC41)O)C(=O)O
MCULE-3316819174 0.77 C12(CC3CC(CC(C3)C1)C2)C(C)(C)C(OC)=O
MCULE-5599720905 0.77 OC([C@H]1[C@H]2[C@@H]1CCCC2=O)=O
MCULE-4749534991 0.77 COC(CC1CCCCC1)=O
MCULE-7304176105 0.77 CC1(C2(C(C(C(C(O)=O)=O)C1CC2)=O)C)C
MCULE-4356051746 0.77 C(C)(C1CCCCC1)C(=O)OC
MCULE-9671817522 0.77 [H]C12CC(OC)CCC1(C)C1CC(C3(C)C(C(C)CCC(O)=O)CCC3C1CC2)=O
MCULE-4331004792 0.77 O=C(OC)[C@@H]1CC[C@H](C(=O)OC)CC1
MCULE-8330160340 0.77 [C@@]12(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CCC(=C)[C@H]2CCC(C)CCO
MCULE-5423050849 0.77 C12(CC3CC(C1)CC(C3)(C(C)C)C2)C(OC)=O
MCULE-3902543430 0.77 C12(CN)CC3(CC(=O)O)CC(C1)CC(C3)C2
MCULE-2634733639 0.77 COC(C1CCC(C=O)CC1)=O
MCULE-8347063154 0.77 OC(C1CCC(C#N)CC1)=O
MolPort-002-709-136 0.77 NCCC12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-009-196-865 0.77 COC(=O)[C@@]12CC[C@@](CC1)(CC2)C(O)=O
MolPort-002-910-722 0.77 OC(=O)C1C2C3CC1C(=O)C23
MolPort-002-800-613 0.77 COC(=O)C(C)(C)C1CCCCC1C(C)(C)C(=O)OC
MolPort-000-741-351 0.77 [Na+].CC1(C)C2(C)CCC1(CC2O)C([O-])=O
MolPort-042-681-193 0.77 COC(=O)C1CCC(CC1)C(C)=O
MolPort-001-792-390 0.77 NCC1CCC(CC1)C(O)=O
MolPort-009-198-714 0.77 COC(=O)C12CCC(CC1)(CC2)C(O)=O
MolPort-022-368-003 0.77 OC(=O)C1CCC(CC1)C#N
MolPort-042-601-811 0.77 CC1(C)CC(=O)C(C(=O)C(O)=O)C(=O)C1
MolPort-006-384-971 0.77 COC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
MolPort-005-312-415 0.77 CC1(C)C2CCC1(C)C(=O)C2C(=O)C(O)=O
MolPort-044-182-040 0.77 OC(=O)C12CCC(CC1)(CC2)C#C
MolPort-016-582-364 0.77 COC(=O)[C@@H]1CC[C@@H](CC1)C(O)=O
MolPort-044-182-095 0.77 COC(=O)C12CCC(CC(O)=O)(CC1)CC2
MolPort-028-960-829 0.77 COC(=O)C1(C)CCCCC1
MolPort-002-485-360 0.77 OC(=O)C12CCC(CC1)(CC2)C#N
MolPort-044-734-049 0.77 COC(=O)CC1CCC(C)CC1
MolPort-016-731-887 0.77 OC(=O)C1C2CC(C1C(O)=O)C(=O)C2
MolPort-045-018-025 0.77 OC(=O)[C@H]1CC[C@@H](CC1)C#N
MolPort-019-878-740 0.77 COC(=O)C12CCC(CO)(CC1)CC2
MolPort-045-901-947 0.77 COC(=O)C12CC3CC(CC(C3)(C1)C(C)C)C2
MolPort-000-653-698 0.77 COC(=O)C(C)(C)C12CC3CC(CC(C3)C1)C2
MolPort-044-614-875 0.77 OC(=O)C1C2CCC(=O)C12
MolPort-046-676-605 0.77 O[C@@H]1C2[C@H]3C[C@H]1C[C@]23C(O)=O
MolPort-002-501-962 0.77 OC(=O)C1C(C(C(C(C1C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
MolPort-002-138-619 0.77 COC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
MolPort-002-136-938 0.77 COC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
MolPort-000-732-688 0.77 [K+].CC1(C)C2(C)CCC1(CC2=O)C([O-])=O
MolPort-016-584-208 0.77 NCCC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MolPort-002-512-008 0.77 NC[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-002-085-625 0.77 COC(=O)CC12CC3CC(C1)CC(CC(=O)OC)(C3)C2
MolPort-000-692-441 0.77 COC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-044-432-276 0.77 O[C@@H]1C[C@H](C[C@@H](O)[C@H]1O)C(O)=O
MolPort-002-070-557 0.77 OC(=O)[C@H]1[C@H]2[C@H]3C[C@@H]1C(=O)[C@@H]23
MolPort-005-939-268 0.77 COC(=O)CC1CCC(=O)CC1
MolPort-002-070-533 0.77 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)OC
MolPort-023-213-669 0.77 COC(=O)[C@@H]1CC[C@H](CO)CC1
MolPort-029-497-382 0.77 COC(=O)C12CCC(CC1)CC2
MolPort-008-269-399 0.77 COC(=O)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-021-999-903 0.77 OC(=O)C1CCC2(COC2)CC1
MolPort-005-306-602 0.77 NCC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MolPort-003-700-150 0.77 COC(=O)C12CCC(CC1)(CC2)C(=O)OC
MolPort-001-742-582 0.77 CC(CCO)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-046-691-109 0.77 [15NH2][13CH2]C1CCC(CC1)[13C](O)=O
MolPort-038-355-411 0.77 OC1C(O)C2CC1CC2C(O)=O
MolPort-038-090-043 0.77 NCC12CCC(CC1)(CC2)C(O)=O
MolPort-023-222-660 0.77 COC(=O)[C@H]1CC[C@H](CC1)C(=O)OC
MolPort-003-927-798 0.77 COC(=O)CC1CCCCC1
MolPort-000-154-803 0.77 COC(=O)C1CCC(CC1)C(=O)OC
MolPort-009-682-852 0.77 COC(=O)C1CCC(CC1)C(O)=O
MolPort-046-697-182 0.77 CC12CC(O)C3C(C1O)C(C)(CCCC23C)C(O)=O
MolPort-001-757-052 0.77 COC(=O)CC12CC3CC(CC(C3)C1)C2
MolPort-023-299-484 0.77 COC(=O)C1CCC(CO)CC1
MolPort-006-148-923 0.77 COC(=O)C1(C)CCCC2(C)C3CCC(CC3CCC12)C(C)C
MolPort-035-765-513 0.77 COC(=O)C1CCC(CC=O)CC1
MolPort-003-930-886 0.77 O.OC(=O)C1C(C(C(C(C1C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
MolPort-028-748-756 0.77 COC(=O)C1CCC2CC(CCC2C1)C(=O)OC
MolPort-009-683-172 0.77 COC(=O)[C@H]1CC[C@H](CO)CC1
MolPort-020-007-220 0.77 COC(=O)CC1CCC(O)CC1
MolPort-023-279-356 0.77 COC(=O)[C@H]1CC[C@@H](CC1)C=O
MolPort-000-160-217 0.77 COC(=O)C1CCCCC1
MolPort-046-647-691 0.77 COC1CC2(C1)CCC(CC2)C(O)=O
MolPort-029-943-094 0.77 CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)CC(O)=O
MolPort-001-020-379 0.77 OC(=O)C1CC(C(CC1C(O)=O)C(O)=O)C(O)=O
MolPort-035-705-910 0.77 C[C@@H](CCO)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MolPort-046-472-129 0.77 OC(=O)[C@@H]1[C@H]2CCCC(=O)[C@@H]12
MolPort-046-702-378 0.77 COC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
MolPort-035-675-886 0.77 COC(=O)C12CCC(CC1)(CC2)C=O
MolPort-028-986-177 0.77 OC(=O)CC1CCCC(C1)C#N
MolPort-027-853-686 0.77 CC1C(=O)CC2C3C(O)CC(C(O)=O)C12CC3(C)C
MolPort-038-950-081 0.77 COC(=O)CCCC1CCCC(=O)C1
MolPort-039-013-215 0.77 COC(=O)C1(C)CCC(CC1)C(O)=O
MolPort-022-151-040 0.76 CC(C)(C)C1(CCC1)C(O)=O
MolPort-029-670-689 0.76 CCC(C)(C1CC1)C(O)=O
MolPort-022-148-328 0.76 CC(C)C1(CCC1)C(O)=O
MolPort-009-680-785 0.76 OC(=O)C1(CC1)C1CC1
MolPort-022-907-376 0.76 CC(C)CC1(CC1)C(O)=O
MolPort-004-769-922 0.76 CC(=O)CCCCO
MolPort-042-621-228 0.76 CCC(=O)CC(C)(O)CC
MolPort-020-173-699 0.76 CCC1(CCC1)C(O)=O
MolPort-001-779-918 0.76 CCCC(O)C(=O)CCC
MolPort-020-969-096 0.76 CCCC1(CC1)C(O)=O
MCULE-3737695448 0.76 CCCC1(C(O)=O)CC1
MCULE-9846338144 0.76 CC(=O)CCCCO
MCULE-2950853692 0.76 O=C(CC(C)(O)C(C)C)C(C)C
MCULE-7896658975 0.76 C(C)(CC)(C(O)=O)C1CC1
MCULE-1543671076 0.76 CC(CC1(C(=O)O)CC1)C
MCULE-5677076144 0.76 O=C(O)C1(CCC1)C(C)(C)C
MCULE-8472500117 0.76 CCC1(C(O)=O)CCC1
MCULE-8800884172 0.76 C(CC)C(O)C(=O)CCC
MCULE-4085460515 0.76 C1(C(O)=O)(C2CC2)CC1
MCULE-5390430803 0.76 C1(CCC1)(C(C)C)C(O)=O
MCULE-7774770692 0.76 C12(CCC(C1(C)C)(C)C2C(O)=O)C(O)=O
MCULE-8352975367 0.76 C1(C)CC(=O)C2CC12C(O)(C)CO
MCULE-7618396098 0.76 [C@]12(C)CCC(C[C@@]1(O)CCC2=O)=O
MCULE-6829883243 0.76 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(C)=O)[H]
MCULE-9842340272 0.76 C(=O)(O)CC(O)C(CCCCCCCCCC)C(=O)O
MCULE-9429121358 0.76 C1(CC)(CCC(=O)C1)C(O)=O
MCULE-9370528145 0.76 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)(CCC3C1CC2)C(O)(CO)[H])=O
MCULE-4237005005 0.76 C12(CCC(C1(C)C)C2C(O)=O)C(O)=O
MCULE-5018440920 0.76 C1C[C@]2(C)[C@@](O)(C(=O)C[C@@H]3[C@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C[C@H]1O
MCULE-2724373078 0.76 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)(CCC3C1CC2)C(CO)=O)=O
MCULE-1213618727 0.76 [C@@]12(O)C[C@H](CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=O)[C@]4(C[C@@]4([H])[C@@]3([H])[C@]1([H])[C@]1(C[C@@]21[H])[H])[H])O
MCULE-3592831676 0.76 [C@]12(O)C[C@@H](O)CC[C@]1(C)C1C(C3CCC[C@]3(CC1)C)CC2=O
MCULE-6095368523 0.76 C(=O)(O)CC(O)C(C(=O)O)CCCCCCCC
MCULE-9357142613 0.76 [C@@]12(O)C[C@H](CC[C@]1(C)[C@@]1([C@@]([H])([C@]3(C[C@@]23[H])[H])[C@@]2([H])[C@@](CC1)(C)C([C@]1(C[C@@]21[H])[H])=O)[H])O
MCULE-4260326421 0.76 C1(C)(CCC(O)C1(C)C)C(O)=O
MCULE-7452530616 0.76 C1(C)(C)C(=O)CCC1C(O)=O
MCULE-4628854264 0.76 O[C@]1(CC[C@@]2(C)[C@@]([C@]([C@](O)([C@@]3([C@@]2(CC[C@@]2(C)[C@]3(CCC2=O)[H])[H])[H])[H])(O)[H])(C1)[H])[H]
MCULE-8296468902 0.76 O=C1CCC2(C)C3CCC4(CO)CC(O)CC4C3C(CC2(C1)[H])=O
MCULE-2601391836 0.76 [H]C12CC(O)CCC1(C)C1CC(O)C3(C)C(CC(O)C3C1CC2)=O
MCULE-9216575488 0.76 C1(CC(C1)CC1CC1)(C(O)=O)C(O)=O
MCULE-6895169139 0.76 C1(C)(CCC(=O)C1(C)C)C(O)=O
MCULE-1786502930 0.76 C1(CC)(CCC(O)C1)C(O)=O
MCULE-8623517010 0.76 O=C1CCC2(C)C3CC(O)C4(C)C(CC(O)C4C3CCC2(C1)[H])=O
MCULE-2183414184 0.76 C1(C)(C)C(O)CCC1C(O)=O
MCULE-4759699544 0.76 C(CC(O)=O)(CC(O)=O)C(CCC(O)=O)=O
MCULE-6821039523 0.76 C1CC2(C)C3CCC4C(O)(CO)CC3(C4)C(=O)CC2C(C)(C)C1
MolPort-001-739-441 0.76 CCCCCCCCC(C(O)CC(O)=O)C(O)=O
MolPort-035-687-489 0.76 C[C@]12CC[C@H]3[C@@H](C4CC4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O
MolPort-035-681-152 0.76 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-327-337 0.76 OC(=O)CCC(=O)C(CC(O)=O)CC(O)=O
MolPort-021-804-458 0.76 CC1CC(=O)C2CC12C(C)(O)CO
MolPort-016-638-344 0.76 C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-021-804-670 0.76 CC1(C)CCCC2(C)C3CCC4CC3(CC4(O)CO)C(=O)CC12
MolPort-003-940-914 0.76 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O
MolPort-028-747-740 0.76 CCCC[Sn+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
MolPort-046-765-688 0.76 [2H]C([2H])(O)C(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@H]3C(=O)CC12C
MolPort-002-528-820 0.76 CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-588-169 0.76 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)[C@H](O)[C@H]1C[C@@H](O)CC[C@]31C
MolPort-023-220-262 0.76 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O
MolPort-046-764-543 0.76 [2H]C([2H])(O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)C3[C@@H](O)C[C@]12C
MolPort-046-764-580 0.76 [Na+].CCCCCCCCCCC[C@H](O)C[C@H](O)[C@H](CCCCCC)C([O-])=O
MolPort-046-196-694 0.76 C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-148-331 0.76 OC(=O)[C@]12CCC[C@H]1CC(=O)C2
MolPort-001-739-957 0.76 CCCCCCCCCCC(C(O)CC(O)=O)C(O)=O
MolPort-006-069-231 0.76 C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-130-600 0.76 COC(C)(C)CCCC(C)C(O)=O
MolPort-002-510-726 0.76 C[C@]12CCC(=O)C[C@@]1(O)CCC2=O
MCULE-7217536279 0.75 CC(CC(C(O)=O)C)C
MCULE-9572363620 0.75 CC[C@H](CC(=O)O)C
MCULE-3121416106 0.75 CCC(C(C)C)CC(O)=O
MCULE-6841335407 0.75 [C@H]1(C(O)=O)[C@@H](CC1)C(=O)O
MCULE-9410279128 0.75 OC([C@@H]1C[C@H](C(O)=O)CC1)=O
MCULE-5582697343 0.75 C(O)(=O)C1CCC(C1)C(O)=O
MCULE-5550070887 0.75 [C@@H](C)(CC)CC(=O)O
MCULE-4114895909 0.75 CC(C(C)(C)C)CC(O)=O
MCULE-1527618443 0.75 CC(CC(C(O)=O)(C)C)C
MCULE-1504517779 0.75 CC(CC(C(O)=O)(C)C)(C)C
MCULE-2743190923 0.75 [C@H]1(CC[C@H]1C(O)=O)C(O)=O
MCULE-8929874481 0.75 CC(CCC(O)=O)(C)C
MCULE-2102421943 0.75 CC(C(O)=O)C(C(C)(C)C)C
MCULE-7691755837 0.75 C(O)(CCC(C)C)=O
MCULE-6136792366 0.75 C1C(C(C1)C(=O)O)C(=O)O
MCULE-4157551693 0.75 C(O)(=O)[C@@H](O)CCCC(O)=O
MCULE-7950118630 0.75 C(C(CCC)(C)C)(=O)O
MCULE-5173108207 0.75 CC[C@@H](CC(=O)O)C
MCULE-1604696319 0.75 CCC(CC(O)=O)CC
MCULE-9360443230 0.75 CCC(C(C(O)=O)C)C
MCULE-1205132375 0.75 C1(C(O)=O)(C(O)=O)CC1(C)CC
MCULE-1958146980 0.75 CCC(C(C)(C)C)CC(O)=O
MCULE-7779384365 0.75 CCCC(C(O)=O)C
MCULE-4637916300 0.75 [C@]1(C(O)=O)([C@](CC1)(C(O)=O)[H])[H]
MCULE-1654401215 0.75 CC(C(O)=O)CC(C)(C)C
MCULE-9171127485 0.75 C1(CO)(CC2(C1)CC2)C(O)=O
MCULE-5970708862 0.75 OC(C(=O)O)CCCC(=O)O
MCULE-8609403409 0.75 C1[C@H]([C@H](C1)C(=O)O)C(=O)O
MCULE-4177365854 0.75 [C@H](C)(CC)CC(=O)O
MCULE-7085095529 0.75 OC(C(C(O)=O)CC1CC1)=O
MCULE-1129101822 0.75 C(C1CCC1)(C(O)=O)C(O)=O
MCULE-2333640078 0.75 C(CCCC)(O)=O
MCULE-5978557881 0.75 C(O)(=O)C(=O)CCCC(O)=O
MCULE-1978852685 0.75 [Na+].OC(C1CC1)CC([O-])=O
MCULE-6885969973 0.75 C1(C(C)CC1)(C(O)=O)C(O)=O
MCULE-7163417247 0.75 C12[C@]3([H])[C@H](C)CC[C@]3(O)C(CCC1C2(C)C)=O
MCULE-7861317113 0.75 OC(CC(C1CC1)CC(O)=O)=O
MCULE-7400594274 0.75 C1(CC(C1)CC)(C(O)=O)C(O)=O
MCULE-1176845799 0.75 O=C(O)C1(CCCC1)C(=O)O
MCULE-7231252497 0.75 CCC(CC(O)=O)(C)C
MCULE-7946056476 0.75 O=C(CC1(CCC1)CC(=O)O)O
MCULE-8256978568 0.75 CC(C(CC(O)=O)C)C
MCULE-3409782202 0.75 C(O)(=O)CC(C)CC
MCULE-6336473342 0.75 CCC[C@@H](C)C(O)=O
MCULE-2670343943 0.75 C1(C)(C)C2C1[C@@]1([H])[C@@](CCC2=O)([H])CC[C@]1(C)O
MolPort-028-949-979 0.75 OC(=O)C(CC1CC1)C(O)=O
MolPort-006-115-307 0.75 OC(=O)C1CCC1C(O)=O
MolPort-000-480-274 0.75 OC(=O)C1CCC(C1)C(O)=O
MolPort-046-691-281 0.75 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O
MolPort-020-173-003 0.75 OC(=O)CC1(CC(O)=O)CCC1
MolPort-000-004-648 0.75 CC[C@H](C)CC(O)=O
MolPort-046-678-656 0.75 OC(=O)CC(CC(O)=O)C1CC1
MolPort-006-710-737 0.75 CC(C)(C)CCC(O)=O
MolPort-000-157-380 0.75 CCC(C)CC(O)=O
MolPort-023-333-797 0.75 OC(CCCC(O)=O)C(O)=O
MolPort-002-479-508 0.75 CC(CC(O)=O)C(C)(C)C
MolPort-046-651-922 0.75 CCC(C)(C)[C@H](C)C(O)=O
MolPort-001-788-421 0.75 OC(=O)CCC(=O)CC(O)=O
MolPort-046-651-310 0.75 CCC([C@@H](C)C(O)=O)C(C)(C)C
MolPort-003-929-236 0.75 OC(=O)[C@H]1CC[C@H]1C(O)=O
MolPort-035-930-613 0.75 OC(=O)C(C1CCC1)C(O)=O
MolPort-022-151-411 0.75 CCC(CC(O)=O)C(C)(C)C
MolPort-014-559-190 0.75 CCC(C)C(C)C(O)=O
MolPort-046-651-914 0.75 C[C@@H](C(C)C(C)(C)C)C(O)=O
MolPort-046-652-212 0.75 CCC(C(C)C(O)=O)C(C)(C)C
MolPort-046-657-186 0.75 C[C@H](CC(C)(C)C)C(O)=O
MolPort-046-153-345 0.75 CC1CCC1(C(O)=O)C(O)=O
MolPort-023-047-035 0.75 OC(=O)C1(CCCC1)C(O)=O
MolPort-022-369-003 0.75 CC(C(C)C(C)(C)C)C(O)=O
MolPort-022-369-004 0.75 CC(C)(C)CC(C)(C)C(O)=O
MolPort-046-656-874 0.75 CCC(C(C)C)[C@H](C)C(O)=O
MolPort-046-657-184 0.75 C[C@H](C(C)C(C)(C)C)C(O)=O
MolPort-046-159-186 0.75 C[C@@H](CC(C)(C)C)C(O)=O
MolPort-035-945-699 0.75 CCC1CC1(C(O)=O)C(O)=O
MolPort-046-650-682 0.75 CCC(C)(C)[C@@H](C)C(O)=O
MolPort-046-196-849 0.75 OC(CCC(O)=O)CC(O)=O
MolPort-046-650-298 0.75 CCC(C)[C@@H](C)C(O)=O
MolPort-038-384-257 0.75 C.OC(=O)[C@H]1CC[C@@H]1C(O)=O
MolPort-001-780-113 0.75 CCCCC(O)=O
MolPort-042-622-092 0.75 C[C@@]1(CC[C@]1(C)C(O)=O)C(O)=O
MolPort-042-622-091 0.75 CC1(CCC1(C)C(O)=O)C(O)=O
MolPort-006-022-391 0.75 CC(C)C(C)CC(O)=O
MolPort-023-213-308 0.75 OC(=O)[C@H]1CC[C@H](C1)C(O)=O
MolPort-014-467-625 0.75 CCC(CC(O)=O)C(C)C
MolPort-001-791-763 0.75 CCCC(C)(C)C(O)=O
MolPort-001-791-362 0.75 CCCC(C)C(O)=O
MolPort-022-367-028 0.75 CC(CC(C)(C)C)C(O)=O
MolPort-046-510-472 0.75 CC[C@H](CC(O)=O)C(C)C
MolPort-003-800-343 0.75 OC(=O)[C@@H]1CC[C@H]1C(O)=O
MolPort-046-140-345 0.75 [Na+].OCC1(CC([O-])=O)CCC1
MolPort-001-788-350 0.75 CC(C)CCC(O)=O
MolPort-002-489-955 0.75 OC(=O)CCCC(=O)C(O)=O
MolPort-003-985-044 0.75 CC[C@@H](C)CC(O)=O
MolPort-012-193-812 0.75 CC(C)CC(C)C(O)=O
MolPort-029-499-611 0.75 OC(=O)[C@H]1CC[C@@H]1C(O)=O
MolPort-013-429-759 0.75 CC(C)CC(C)(C)C(O)=O
MolPort-046-658-716 0.75 CCC([C@H](C)C(O)=O)C(C)(C)C
MolPort-045-971-434 0.75 [Na+].OC(CC([O-])=O)C1CC1
MolPort-022-467-895 0.75 CCC(CC)C(C)C(O)=O
MolPort-006-022-380 0.75 CCC(CC)CC(O)=O
MolPort-046-672-018 0.75 CCC(C(C)C)[C@@H](C)C(O)=O
MolPort-046-659-967 0.75 CCC(CC)[C@@H](C)C(O)=O
MolPort-002-496-410 0.75 CCC(C)(C)CC(O)=O
MolPort-002-710-760 0.74 COC(=O)CCC(C)C1CCC2C3CCC4C[C@H](O)CCC4(C)C3C[C@H](O)C12C
MolPort-022-371-896 0.74 COC1CCCC(CC(O)=O)C1
MolPort-046-762-058 0.74 O[C@@H]1CC(O)(C[C@@H](O)C1O)C([O-])=O
MolPort-002-486-935 0.74 OC(=O)CCC12CC3CC(CC(Cl)(C3)C1)C2
MolPort-002-470-256 0.74 COC(=O)C1CC2CCC1C2
MolPort-029-133-736 0.74 COC1CCC(C)(CC1)C(O)=O
MolPort-039-338-224 0.74 C[C@@H]1[C@H]2C[C@@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)C[C@H]2O)C(O)=O)C1=O
MolPort-022-375-281 0.74 COC12CCC(CC1)(CC2)C(O)=O
MolPort-039-331-015 0.74 CO[C@H]1CC[C@H](CC1)C(O)=O
MolPort-039-136-575 0.74 COC(=O)C12CCC(CC1)(CCC2)C(O)=O
MolPort-039-136-972 0.74 COC(=O)C12CCC(CC1)(CCC2)C(=O)OC
MolPort-009-242-922 0.74 COC(=O)CC1CC2CCC1C2
MolPort-003-247-860 0.74 CC(N)C1CC2CCC1C2.CC1(CCCCC1)C(O)=O
MolPort-003-250-263 0.74 CC(N)C1CC2CCC1C2.OC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-044-181-962 0.74 OC(=O)C12CCC(CC1)(CCC2)C#N
MolPort-001-816-972 0.74 OC(=O)CCC12CC3CC(CC(Br)(C3)C1)C2
MolPort-002-131-743 0.74 OC1CC(O)(CC(O)C1O)C(O)=O
MolPort-044-182-096 0.74 COC(=O)C12CCC(CC(O)=O)(CC1)CCC2
MolPort-046-690-442 0.74 [2H]C1([2H])C[C@]2(C)C3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4C3CC[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(=O)OC
MolPort-004-323-764 0.74 NC(=O)C1CCC(CC1)C(O)=O
MolPort-035-881-862 0.74 COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
MolPort-002-054-938 0.74 COC(=O)C12C3C4C1C1C2C3C41C(=O)OC
MolPort-035-766-244 0.74 Cl.NC[C@H]1CC[C@H](CC(O)=O)CC1
MolPort-044-182-116 0.74 COC(=O)C12CCC(CO)(CC1)CCC2
MolPort-002-526-137 0.74 COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-001-762-616 0.74 OC(=O)C12CC3CC(CC(CCBr)(C3)C1)C2
MolPort-002-054-962 0.74 COC(=O)C12C3C4C1C1C2C3C41C(O)=O
MolPort-002-054-975 0.74 COC(=O)C12C3C4C1C1C2C3C41CO
MolPort-001-742-493 0.74 O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O
MolPort-028-750-726 0.74 O[C@@H]1CC(O)(C[C@@H](O)C1O)C(O)=O
MolPort-046-774-426 0.74 COC(=O)C1CC11CCC(=O)CC1
MolPort-046-654-518 0.74 COC(=O)CC1CCC2(CO2)CC1
MolPort-044-558-775 0.74 COC(=O)C12CC(CC(O)=O)(C1)CCC2
MolPort-044-182-094 0.74 COC(=O)C12CCC(CC(O)=O)(CC1)C2
MolPort-016-584-209 0.74 Cl.NCC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MolPort-023-332-577 0.74 NC(=O)C12CCC(CC1)(CC2)C(O)=O
MolPort-035-705-887 0.74 C[C@@H]1[C@H]2C[C@@]3(C[C@@H](O)[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2)C(O)=O)C1=O
MolPort-035-830-997 0.74 OC(=O)C12C3C4CC5C3C1C(=O)C5C24
MolPort-020-004-592 0.74 COC(=O)[C@@]12[C@H]3[C@H]4[C@H]1[C@H]1[C@@H]2[C@H]3[C@@]41C(O)=O
MolPort-044-182-036 0.74 Cl.NCC12CCC(CC(O)=O)(CC1)CC2
MolPort-044-182-033 0.74 OC(=O)C12CCC(CF)(CC1)CC2
MolPort-044-182-023 0.74 COC(=O)C12CCC(CC1)C2
MolPort-042-683-217 0.74 OC(=O)C12C3C4C1C1C2C3C41C#N
MolPort-035-946-554 0.74 CO[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CC[C@H]([C@H](C)CCC(=O)OC)[C@@]12C
MolPort-022-384-363 0.74 COC1C2CC3CC1CC(C3)(C2)C(O)=O
MolPort-044-175-497 0.74 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-001-794-402 0.74 COC1CCC(CC1)C(O)=O
MolPort-046-647-317 0.74 COC(=O)C1CCC2(CC(O)C2)CC1
MolPort-042-652-393 0.74 Cl.NC12CCC(CC(O)=O)(CC1)CC2
MolPort-046-647-154 0.74 COC(=O)C1CCC2(CC(=O)C2)CC1
MolPort-027-835-291 0.74 Cl.N[C@H]1CC[C@H](CC(O)=O)CC1
MolPort-038-942-177 0.74 CO[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-044-558-751 0.74 COC(=O)C12CCC(CC1)CCC2
MolPort-001-780-173 0.74 COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
MCULE-3700307217 0.74 C1(O)CCC2(C)C3CC(O)C4(C)C(C(CCC(=O)OC)C)CCC4C3CCC2C1
MCULE-1780189416 0.74 C12(CC3CC(CC(C3)(CCBr)C1)C2)C(O)=O
MCULE-6808455273 0.74 C[C@@]12CCC[C@@](C)(C(=O)O)[C@@]1([H])CC[C@]13CC(COC)[C@@](CC[C@@]21[H])([H])C3
MCULE-8263927803 0.74 [H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1CC2)C(OC)=O
MCULE-1787898398 0.74 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)=O
MCULE-1360542380 0.74 O=C(C[C@@H]1CC[C@@H](CN)CC1)O.Cl
MCULE-6584154168 0.74 C12(CCC(C(C)(C)C1C)C2)C(OC)=O
MCULE-5958266462 0.74 C12(CC(CC1)CC2(C)C)C(OC)=O
MCULE-4981158633 0.74 O=C1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1)=O
MCULE-7660900240 0.74 COC(C1CCC2(CC2)CC1)=O
MCULE-2107236861 0.74 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(CCC3C(C)C(OC)=O)C1CC2)=O
MCULE-7032796402 0.74 CO[C@]1(CC[C@](C(=O)O)(CC1)[H])[H]
MCULE-7039137060 0.74 C(OC)(CC(C)C1CCC2C1(C)CCC1C2CCC2CCCCC21C)=O
MCULE-2714809390 0.74 C1(O)CCC2(C)C3CCC4(C)C(C(CCC(=O)OC)C)CCC4C3CCC2C1
MCULE-2526162099 0.74 [C@@]1(O)(C(O)=O)C[C@@H](O)[C@@H]([C@H](O)C1)O
MCULE-9653658355 0.74 COC(C1CC2(CC2)CCC1)=O
MCULE-4537537792 0.74 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])CC(OC)=O)[H]
MCULE-4814016839 0.74 [H]Cl.C12(CN)CC3(CC(=O)O)CC(C1)CC(C3)C2
MCULE-3874900154 0.74 COC(CC1C2CC(CC2)C1)=O
MCULE-8303095115 0.74 C1(CC2C(CC(CC2)O)C1)C(OC)=O
MCULE-2542701749 0.74 C(OC)(CCC1(C)C2CC(C3(C)C(C(C)CCC(OC)=O)CCC3C2CCC1([H])C(OC)=O)=O)=O
MCULE-8470542565 0.74 C(OC)(CCC(C)C1CCC2C1(C)CCC1C2CCC2CCCCC21C)=O
MCULE-8539864055 0.74 C12(C)CCC(CC1=O)C2(C)CCC(OC)=O
MCULE-7769902180 0.74 C(OC)(CC1(C)C2CCC3(C4(C(C(C)C)CCC4(C)CCC3(C)C2(C)CCC1(C(C)(C)C(OC)=O)[H])[H])[H])=O
MCULE-9607665986 0.74 C12C(C(OC)=O)C3C1C1C2C(C31)C(OC)=O
MCULE-6083129512 0.74 [Cl-].C(O)(CC1CCC(CC1)[NH3+])=O
MCULE-2504203548 0.74 [C@@]12(C)[C@@H]([C@H](C)CCC(OC)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C[C@@H]2OC)[H]
MCULE-7959911593 0.74 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(C3(C)CC[C@H](CC3CC1)O)C[C@@H]2O
MCULE-2397639407 0.74 [H]Cl.C12(CC3CC(CC(C3)(CCN)C1)C2)C(O)=O
MCULE-8261372190 0.74 OC(CCC12CC3CC(C1)(CC(C3)C2)Br)=O
MCULE-2546395350 0.74 O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@@H]3CC[C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)OC)[C@]21C)O
MCULE-8120957519 0.74 [C@@H]1(C(O)=O)CC[C@H](OC)CC1
MCULE-3219700908 0.74 C12(CCC(C(C)C1(C)C)C2)C(OC)=O
MCULE-1676527372 0.74 [C@@]12(C(O)=O)[C@@]3([H])[C@]4([C@@]1([H])[C@]1([C@@]2([C@]3([C@@]41C(OC)=O)[H])[H])[H])[H]
MCULE-7855539599 0.74 C1CC(C(=O)O)CCC1OC
MCULE-3282858894 0.74 C(O)(=O)C(C)CC1CCC(CC1)F
MCULE-2906325958 0.74 NC(C1CCC(C(O)=O)CC1)=O
MCULE-9979490098 0.74 C(O)(CC1CCC(CC1)F)=O
MCULE-4089810837 0.74 OC(CCC12CC3CC(C1)(CC(C3)C2)Cl)=O
MCULE-4935800261 0.74 C12(C)CCC(CC1N)C2(C)CCC(O)=O
MCULE-2303304803 0.74 Cl.N[C@@H]1CC[C@@H](CC(=O)O)CC1
MCULE-1240547998 0.74 [C@@]1(O)(C(O)=O)C[C@@H](O)[C@@H]([C@H](O)C1)O
MCULE-1296010481 0.74 C(O)(CCC1CCC(CC1)F)=O
MCULE-4026654492 0.74 C(OC)(C1CC2CC1CC2)=O
MCULE-9791886368 0.74 C(OC)(CC1(CCC2C3CCC(C3(C)CCC2C1(C)CC(OC)=O)C(C)CCCC(C)C)[H])=O
MCULE-5592381497 0.74 O=C1C2CC3C(C2C(O)=O)(C13)C(O)=O
MCULE-2574248919 0.74 C1(O)(C(O)=O)CC(O)C(C(O)C1)O
MCULE-2419020365 0.74 C(O)(C12CCC(O)CC1(O)CCC1C3(O)CCC(C3(C)CCC21)C(O)=O)=O
MCULE-4072702421 0.74 C(CCC)(CCC)(C(=O)O)C(=O)O
MCULE-9161317315 0.74 [Na+].C(=O)([O-])C(CCO)CC(C)C
MCULE-2536165881 0.74 C1(=O)CC(CC1C)(C)CO
MCULE-6321827100 0.74 CC(C1(C(O)=O)CC(C)C1)CO
MolPort-002-904-101 0.74 CCCC(CCC)(C(O)=O)C(O)=O
MolPort-003-848-332 0.74 [Na+].CCCC(C([O-])=O)C(=O)CC
MolPort-000-000-330 0.73 NCCCCCCCCCC(O)=O
MolPort-001-792-056 0.73 COC(=O)CCCCCCC(O)=O
MolPort-002-511-515 0.73 CC(N)CCCCCCCCC(O)=O
MolPort-002-509-395 0.73 NC(CCCCCC(O)=O)CCCCC(O)=O
MolPort-044-432-419 0.73 OC(=O)[C@@H]1CC(=O)C[C@H]1C(O)=O
MolPort-000-003-022 0.73 COC(=O)CCCCCCC(=O)OC
MolPort-044-558-456 0.73 COC(=O)CCCCCCCCCCCCCCCCC(O)=O
MolPort-002-135-179 0.73 CCCC(CCCCN)C(O)=O
MolPort-000-140-556 0.73 OC(=O)C1CC(=O)CC1C(O)=O
MolPort-002-508-444 0.73 CCCC(N)CCC(O)=O
MolPort-023-213-100 0.73 CC(=C)CCCCC(O)=O
MolPort-002-507-392 0.73 OC(=O)CCCCCCCCC=C
MolPort-002-501-609 0.73 COC(=O)CCCCCC(=O)OC
MolPort-042-683-485 0.73 COC(=O)CCC(C)CC(C)=O
MolPort-002-135-159 0.73 NC(CCCCCCCC(O)=O)CCCCC(O)=O
MolPort-002-499-900 0.73 COC(=O)CCCCCCCCCCC(O)=O
MolPort-023-213-092 0.73 OC(=O)CCCCCC=C
MolPort-023-213-093 0.73 OC(=O)CCCCCCC=C
MolPort-046-202-916 0.73 O=CC1CCC2(COC2)CC1
MolPort-002-498-059 0.73 COC(=O)CCCCCCCCCCC(=O)OC
MolPort-046-766-302 0.73 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)CCCO
MolPort-042-677-190 0.73 OC(=O)C1CC(=O)C[C@H]1C(O)=O
MolPort-002-894-354 0.73 OC(=O)CCCCCCCC(=O)CCCCCCCCC=C
MolPort-009-019-659 0.73 OC(=O)CCCCCCCCCCCC#C
MolPort-023-213-101 0.73 CC(=C)CCCCCC(O)=O
MolPort-023-213-102 0.73 CC(=C)CCCCCCC(O)=O
MolPort-001-792-141 0.73 NCCCCCCCCCCCC(O)=O
MolPort-001-792-140 0.73 NCCCCCCCCCCC(O)=O
MolPort-002-904-202 0.73 CCCCCCCCC(=O)CCCCCCCCC(=O)OC
MolPort-001-781-971 0.73 COC(=O)CCCCCCCCCCCCCCCCC(=O)OC
MolPort-003-929-228 0.73 CCCCCCCCCCCCCCCCC(=O)OC
MolPort-000-153-810 0.73 OC(=O)CCCCCCCC=C
MolPort-003-926-591 0.73 CCCCCCC(=O)OC
MolPort-028-746-650 0.73 OC(=O)CCCCCCCCCCCCC=C
MolPort-003-927-904 0.73 CCCCCCCCCC(=O)OC
MolPort-003-927-941 0.73 CCCCCCCC(=O)OC
MolPort-006-117-002 0.73 OC(=O)CCCCCC#N
MolPort-023-245-676 0.73 COC(=O)CCCCC(C)C(C)=O
MolPort-003-928-303 0.73 CCCCCCCCCCCC(=O)OC
MolPort-029-944-673 0.73 OC(=O)CCCCCCCC#C
MolPort-006-115-644 0.73 COC(=O)C1CCCCCCC1
MolPort-003-932-015 0.73 CCCCCCCCCC(=O)CCCCCCCC(=O)OC
MolPort-028-748-810 0.73 COC(=O)CCCCCCCCCCCCCCC(=O)OC
MolPort-023-278-821 0.73 COC(=O)CCCCC(C)C(=O)OC
MolPort-000-736-634 0.73 OC(=O)CCCCCCCCC#C
MolPort-028-750-182 0.73 C[C@@]12CCC(=O)[C@]1(O)CCCC2=O
MolPort-028-750-363 0.73 COC(=O)CCCCCCCCC=O
MolPort-046-672-480 0.73 COCCCC12CC(C1)(C2)C(O)=O
MolPort-003-935-584 0.73 CCCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-003-935-759 0.73 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-001-761-054 0.73 NCCCCCCC(O)=O
MolPort-003-937-989 0.73 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-006-069-065 0.73 OC(=O)CCCCCCCCCC=C
MolPort-003-938-831 0.73 CCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-003-938-987 0.73 CCCCCCCCCCCCCCC(=O)OC
MolPort-003-939-502 0.73 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-006-112-426 0.73 CCCCC(CC)C(=O)OC
MolPort-003-939-690 0.73 CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-003-939-692 0.73 CCCCCCCCCCCCC(=O)OC
MolPort-001-741-011 0.73 COC(=O)CCCCCCCCC(O)=O
MolPort-035-706-318 0.73 CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MolPort-046-672-483 0.73 COCCCCC12CC(C1)(C2)C(O)=O
MolPort-003-927-086 0.73 COC(=O)CCCCCCCC(=O)OC
MolPort-003-959-112 0.73 OC(=O)CCCCCCCCCCCCCCCC#C
MolPort-038-387-754 0.73 COC(=O)CCCCCCO
MolPort-046-646-593 0.73 OC(=O)C1CC(=O)CC11CCC1
MolPort-001-783-396 0.73 CCCCCCCCCCCCCCCCCC(=O)OC
MolPort-003-848-590 0.73 COC(=O)CCCCCCCC(O)=O
MolPort-003-848-591 0.73 COC(=O)CCCCCCCCO
MolPort-027-896-578 0.73 OC(=O)CCCCCC#C
MolPort-046-674-536 0.73 COC(=O)CCCCCCCCCCCCC(O)=O
MolPort-003-848-933 0.73 CCCCCCC(=O)CCCCCCCCCCC(=O)OC
MolPort-001-781-898 0.73 COC(=O)CCCCCCCCCC(O)=O
MolPort-001-787-814 0.73 CCCCCCCCC(=O)OC
MolPort-001-780-242 0.73 CCCCCCCCCCCCCCCC(=O)OC
MolPort-001-780-240 0.73 CCCCCCCCCCCCCC(=O)OC
MolPort-003-926-065 0.73 CCCCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-001-788-270 0.73 CCCCCCCCCCC(=O)OC
MolPort-006-123-192 0.73 COC(=O)CCCCCC(O)=O
MolPort-001-785-599 0.73 COC(=O)CCCCCCCCC(=O)OC
MolPort-003-911-553 0.73 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-046-646-811 0.73 COC1CC2(C1)CC(C2)C(O)=O
MolPort-000-150-973 0.73 NCCCCCCCC(O)=O
MolPort-038-387-446 0.73 OC(=O)CCCCCCCCCCCCCC#C
MolPort-039-240-141 0.73 COCC1CCC(=O)CC1
MolPort-030-005-265 0.73 CCC(=O)C1CCC(CC1)OC
MolPort-004-766-004 0.73 COC1CCC(CC1)C=O
MolPort-046-672-474 0.73 COC1CC(CCC(O)=O)C1
MolPort-038-386-524 0.73 CC1(C)C(O)C(=O)CC2(C)C3CCC4CC3(CC4(O)CO)C(=O)CC12
MolPort-003-925-868 0.73 CCCCCCCCCCCCCCCCCCCC(=O)OC
MolPort-023-332-174 0.73 COC(=O)CCCCC(C)=O
MolPort-001-011-523 0.73 CCCC(N)CCCCCC(O)=O
MCULE-9714012387 0.73 C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
MCULE-6875676125 0.73 C(CCC(=O)OC)CCCCCCCCCCC
MCULE-1147234715 0.73 C(CCCCC(CCCCCC(O)=O)N)(O)=O
MCULE-2282587787 0.73 C(CCCCCCCCCCCCCCC)(OC)=O
MCULE-9793115364 0.73 C(CCCCCCC(OC)=O)(O)=O
MCULE-4524637821 0.73 C(CCCCCCCCCC)(OC)=O
MCULE-9064856591 0.73 C(CCC(=O)O)CCCCCN
MCULE-7769232328 0.73 NCCCCCCC(O)=O
MCULE-1741761685 0.73 C(CCCCCCCCCCCCCCCCCCC)(=O)OC
MCULE-9674637652 0.73 O=C(CCCCCCCCCCCCCCCCC(=O)OC)O
MCULE-9468571676 0.73 OC(C1C2(CCC2)CC(=O)C1)=O
MCULE-1292545040 0.73 C(CCCCCCCC(O)=O)#C
MCULE-4760106079 0.73 C(CCCCCCC)C(OC)=O
MCULE-9956223771 0.73 C(=O)(OC)CCCCCCCCCCCCCCCCC(=O)OC
MCULE-5210241690 0.73 C(O)(C(CCCCCCCCCCC(OC)=O)CC)=O
MCULE-8144817566 0.73 C(OC)(=O)CCCCC(=O)C
MCULE-6745811812 0.73 COC(CCCCC(C(C)=O)C)=O
MCULE-3892173219 0.73 C(CCCCCCCC=C)(O)=O
MCULE-2482850582 0.73 C(CCCCC(CCCCC(O)=O)N)(O)=O
MCULE-5122127738 0.73 O=CC1CCC(CC1)OC
MCULE-6364095923 0.73 C(=O)(OC)CCCCCCCCCCCCCCCCCCC(=O)OC
MCULE-2375441022 0.73 C(CCCCCCCC(CC)N)(O)=O
MCULE-8397983958 0.73 NCCCCCCCCCCCCCCC(O)=O
MCULE-4753913515 0.73 C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(OC)=O)(OC)=O
MCULE-1199941308 0.73 C(CCCCCCCC(CCCCC(O)=O)N)(O)=O
MCULE-4594227399 0.73 OC(CCCCCC#C)=O
MCULE-9755822433 0.73 C(C(=O)OC)CCCCCCCC=O
MCULE-1663275054 0.73 C(O)(C(CCCCN)CCC)=O
MCULE-7928135942 0.73 C(CCCCCCCCC=C)(O)=O
MCULE-8375953240 0.73 C(C)(C1(O)CCC2C1(C)CCC1C2CC(O)C2(O)CC(O)CCC21C)=O
MCULE-8712751700 0.73 C(CCCCC(CCCCC(C)=O)=O)(OC)=O
MCULE-3080392178 0.73 C(CCCCCCC)CC(OC)=O
MCULE-1219422242 0.73 O=C(O)CCCCCCCCC#N
MCULE-1751028538 0.73 C(CCC(O)=O)CCCCCCCN
MCULE-7494777524 0.73 O(C)C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
MCULE-7550910857 0.73 C(CCC(O)=O)CCCCCCCC#N
MCULE-3509658268 0.73 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
MCULE-1315000778 0.73 C(CCCCCCC(=O)OC)CCCCCCCCCCCCCCCCCCC
MCULE-3729213959 0.73 C(CCCCCCCCCCCCC)(OC)=O
MCULE-2403230984 0.73 CCCCCCCCCCCCCCCCCCCCCCC(OC)=O
MCULE-7734389837 0.73 C(CCCCC(=O)OC)CCCCCCCCCCCCCCC
MCULE-8101759816 0.73 [H]C12CC(OC)CCC1(C)C1CCC3(C)C(CCC3C1CC2)=O
MCULE-6064953737 0.73 C(C#N)CCCCCCCCC(=O)O
MCULE-6091105789 0.73 C=C(CCCCCC(=O)O)C
MCULE-2837812117 0.73 C=C(C)CCCCC(=O)O
MCULE-3909320120 0.73 CC(CCCCC(O)=O)N
MCULE-3479006433 0.73 C(=O)[C@]1(C2(C1O)CCCCC2)O
MCULE-4901379479 0.73 C(=O)(OC)CCCCCCCCCCC(=O)O
MCULE-6268749120 0.73 C(CCCCCCCCCCCC)(OC)=O
MCULE-3875944987 0.73 C(CCCCCCCCCCCCCCCCCCCCC)(OC)=O
MCULE-8633671524 0.73 C(CCCCCCCCC(OC)=O)(OC)=O
MCULE-5588995078 0.73 C(CCCCCCCCCCC)(OC)=O
MCULE-6571932731 0.73 C=CCCCCCC(=O)O
MCULE-6936366786 0.73 C(OC)(=O)C(C)CCCCC(OC)=O
MCULE-2737882810 0.73 NCCCCCCCC(O)=O
MCULE-4134557983 0.73 C(CCCCCCCC(O)=O)CCCCCC#C
MCULE-8454036124 0.73 C(CCCCC(=O)O)C(=O)CCCCCCCCCCCN
MCULE-7974840074 0.73 C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
MCULE-4367657579 0.73 C(CCCCC(=O)OC)C(=O)OC
MCULE-6863504457 0.73 O=C(CCCCC(O)=O)CCCCCCCCC=C
MCULE-1679457400 0.73 C(CCCCC(=O)O)C(=O)CCCCCN
MCULE-3350746374 0.73 O(C)C(=O)CCCCCCCCCCCCCCCCCC
MCULE-9368782203 0.73 C(CCCCCCC)(OC)=O
MCULE-7883111323 0.73 C(CCCCCC)(OC)=O
MCULE-6921348147 0.73 C(CCCCCC(CCC)N)(O)=O
MCULE-4166830485 0.73 C(OC)(C(CCCC)CC)=O
MCULE-1403801057 0.73 C(CCCCCC(=O)O)CCCCCCC=C
MCULE-2236874517 0.73 C(CCCCCCCCC(C)N)(O)=O
MCULE-1234987175 0.73 O=C(CCCCCCO)OC
MCULE-1324986945 0.73 C(CCCCCCCCCN)(O)=O
MCULE-6070288614 0.73 CC(CCCC(C(O)=O)C)N
MCULE-5867988584 0.73 O=C(CCCCCCCCO)OC
MCULE-3135311657 0.73 CCCCCCCCCC(CCCCCCCC(OC)=O)=O
MCULE-2825137842 0.73 C(CCCCCCCC(=O)O)(=O)OC
MCULE-5431651592 0.73 C(=O)(CCCCCCCC)CCCCCCCCC(=O)OC
MCULE-4152674665 0.73 C(CCCCCCCCCCCN)(O)=O
MCULE-3415352484 0.73 C(CCCCCCCC(OC)=O)(OC)=O
MCULE-2179521248 0.73 COC(=O)CCCCCCCCCCC(=O)OC
MCULE-2492869062 0.73 C(OC)(C(CCCCCCC(OC)=O)CCCCCCCCCCCCCC)=O
MCULE-4393869476 0.73 OC(C1C(C(O)=O)CC(=O)C1)=O
MCULE-6815093379 0.73 C(OC)(=O)CCCCCCCCCCCC(OC)=O
MCULE-4465312774 0.73 C(CCCCCCCCCCCCCCCC)(=O)OC
MCULE-1816610433 0.73 C(CCCCCCCCCCCCCCCCCCCCCCC)(OC)=O
MCULE-7307151830 0.73 C(O)(=O)CCCCCC(OC)=O
MCULE-6380487420 0.73 O=C(CCCCCCCCCCCCCCCCCCCCC(OC)=O)OC
MCULE-7752710504 0.73 C(N)(C)CC(C)CC(C(O)=O)C
MCULE-4350755499 0.73 C(O)(=O)C1CC(C1)CCCOC
MCULE-2596842997 0.73 C(O)(CCC(CCC)N)=O
MCULE-6347713742 0.73 C(=O)(OC)CCCCCCCCCC(=O)O
MCULE-4040350805 0.73 C(CCCCCCCCCCCCCCCCC)(OC)=O
MCULE-7671195044 0.73 C1(CO)(CCC(C(O)=O)C1(C)C)C(O)=O
MCULE-3000822003 0.73 C(CCCCCCC(OC)=O)(OC)=O
MCULE-8938642997 0.73 C(CCCCCCCCC(OC)=O)(O)=O
MCULE-3897074156 0.73 C(OC)(=O)CCCCCCC(C)C
MCULE-8926877324 0.73 C(O)(CC(C)CCCCCCCN)=O
MCULE-1781537075 0.73 C(O)(C)(C)CC(=O)CC(O)(C)C
MolPort-038-149-159 0.73 CC(=O)CC1(O)CCC1
MolPort-035-687-083 0.72 [Na+].[Na+].OC(CCCC([O-])=O)C([O-])=O
MolPort-044-559-985 0.72 CCCCCCCCCCCCCCCC(=O)C(O)C(O)CO
MolPort-003-987-708 0.72 COC(C)(C)CCCC(C)CC=O
MolPort-044-875-820 0.72 OC(C(O)=O)C1(O)CCC1
MolPort-035-932-089 0.72 CC1(CCC(=O)C1)C(O)=O
MolPort-004-961-795 0.72 COCCCCCC(O)=O
MolPort-023-333-505 0.72 OC1CCC(C1)C(O)=O
MolPort-000-838-449 0.72 COC(C)(C)CCCC(C)C(C)=O
MolPort-044-182-078 0.72 OC(=O)C12CC(C1)(CC2)C(O)=O
MolPort-000-005-139 0.72 OC(=O)C1CCC(=O)C1
MolPort-046-647-325 0.72 CC(O)C1CC1C(O)=O
MolPort-027-950-781 0.72 OC(=O)[C@H]1CCC(=O)C1
MolPort-027-950-779 0.72 OC(=O)[C@@H]1CCC(=O)C1
MolPort-027-946-941 0.72 O[C@@H]1CC[C@H](C1)C(O)=O
MCULE-4202466207 0.72 C12[C@]3([H])[C@@](C)(O)CC[C@]3(C)C(CCC1C2(C)C)=O
MCULE-5429992551 0.72 C12[C@]3([H])[C@@](C)(O)CC[C@]3([H])C(CCC1C2(C)C)=O
MCULE-7990606586 0.72 [Na+].[Na+].C([O-])(=O)C(O)CCCC([O-])=O
MCULE-5858632598 0.72 OC(C1(CCC1)O)C(O)=O
MCULE-3301759971 0.72 OC1CC(C(O)=O)CC1
MCULE-8715651663 0.72 OC(C1CC(=O)CC1)=O
MCULE-8301527257 0.72 C1(C)(CCC(=O)C1)C(O)=O
MCULE-4054968967 0.72 C1(C)(CCC(O)C1)C(O)=O
MCULE-7485965564 0.72 C(O)(C1(CC(CC1)=O)[H])=O
MCULE-4649943680 0.72 OC([C@@H]1CC(=O)CC1)=O
MCULE-7880064966 0.72 [C@@H]1(C(O)=O)CCC(=O)C1
MCULE-1172438935 0.72 C(O)(=O)C1CCC(C)(O)C1
MCULE-6133795580 0.72 O[C@H]1C[C@H](C(O)=O)CC1
MCULE-3597766176 0.72 OC(C(=O)CCCCCCCCCCCCCCC)C(CO)O
MCULE-9626506798 0.72 C1(C)(CC(C(=O)C1)C)C(O)=O
MCULE-2881950016 0.72 CC(C)(C)C(=O)CC(C)(O)C(=O)O
MCULE-1308889126 0.72 C(C)(C(C)CCCC(C)(C)OC)=O
MCULE-1554776363 0.72 [C@H]1(C(O)=O)CCC(=O)C1
MCULE-1769987918 0.72 C(CCCCCOC)(O)=O
MCULE-6597072682 0.72 [C@@H]1(C(O)=O)CCC(=O)C1
MolPort-001-787-681 0.71 COC(=O)C(C)CC1CCCCC1=O
MolPort-046-588-695 0.71 N[C@H]1CCCC[C@H]1C(O)=O.N[C@@H]1CCCC[C@@H]1C(O)=O
MolPort-046-594-259 0.71 [Pt++].N[C@@H]1CCCC[C@H]1N.CCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCC([O-])=O
MolPort-046-644-829 0.71 Cl.NC1CC2(C1)CCC(CC2)C(O)=O
MolPort-046-650-982 0.71 C[C@@H](C(O)=O)C1(C)CC1
MolPort-001-767-837 0.71 N[C@H]1CC[C@H](CC1)C(O)=O
MolPort-001-767-836 0.71 N[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-651-928 0.71 C[C@H](C(O)=O)C1(C)CC1
MolPort-001-757-215 0.71 CC1(C)C(C(O)=O)C1(C)C
MolPort-046-655-510 0.71 C[C@@H](C1CCCC(C1)C(F)(F)F)C(O)=O
MolPort-001-740-928 0.71 C[C@@]12CCC[C@](C)(C1CCC13CC(CCC21)C(=C)C3)C(O)=O
MolPort-046-657-793 0.71 CC(C(O)=O)C12CC3CC(CC(F)(C3)C1)C2
MolPort-046-658-731 0.71 C[C@@H](C1CCC(CC1)C(F)(F)F)C(O)=O
MolPort-046-659-169 0.71 C[C@H](C(O)=O)C12CC3CC(CC(F)(C3)C1)C2
MolPort-046-660-384 0.71 C[C@H](C1CCC(CC1)C(F)(F)F)C(O)=O
MolPort-046-660-395 0.71 C[C@@H](C(O)=O)C12CC3CC(CC(F)(C3)C1)C2
MolPort-000-929-142 0.71 COC(=O)C1C2CCCCC12
MolPort-046-661-601 0.71 C[C@H](C1CC1)C(O)=O
MolPort-046-662-029 0.71 C[C@H](C1CCCC(C1)C(F)(F)F)C(O)=O
MolPort-000-883-862 0.71 NCC1(CC(O)=O)CCCCC1
MolPort-035-944-120 0.71 COC(=O)C12CCC(O)(CC1)CC2
MolPort-044-558-776 0.71 COC(=O)C12CCC(CC(O)=O)(C1)CCC2
MolPort-003-929-368 0.71 N[C@H](CC1CCCCC1)C(O)=O
MolPort-004-334-184 0.71 CC(C)C1CCC(C)CC1(N)C(O)=O
MolPort-004-347-302 0.71 CC1CCCCC1(N)C(O)=O
MolPort-004-347-780 0.71 CC1CCC(N)(CC1)C(O)=O
MolPort-006-117-505 0.71 [Na+].CCCCC([O-])=O
MolPort-028-748-679 0.71 COC(=O)[C@H]1CC[C@H](O)CC1
MolPort-028-749-445 0.71 O.N[C@H](CC1CCCCC1)C(O)=O
MolPort-028-750-438 0.71 OC(=O)[C@H]1CC[C@H](CC1)C(F)(F)F
MolPort-004-768-827 0.71 OC(=O)C1CCC(F)CC1
MolPort-028-750-448 0.71 C[C@](N)(C1CCCCC1)C(O)=O
MolPort-030-004-570 0.71 OC(=O)C1CCC(CC1)C(F)F
MolPort-029-996-104 0.71 OC(=O)C12CC(C1)C2
MolPort-029-996-098 0.71 N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C(O)=O
MolPort-028-819-052 0.71 COC(=O)CC12CC3CC(CC(O)(C3)C1)C2
MolPort-004-778-567 0.71 N[C@@H]1CCC[C@@H](C1)C(O)=O
MolPort-006-109-402 0.71 C[C@@H]1C[C@H]1C(O)=O
MolPort-004-778-568 0.71 N[C@H]1CCC[C@H](C1)C(O)=O
MolPort-004-778-580 0.71 N[C@@H]1CCC[C@H](C1)C(O)=O
MolPort-004-780-424 0.71 COC(=O)C1CC2CC2C1
MolPort-006-109-401 0.71 C[C@H]1C[C@H]1C(O)=O
MolPort-028-948-974 0.71 C[C@H]1C[C@@H]1C(O)=O
MolPort-028-951-389 0.71 OC(=O)CC12CC3CC(CC(F)(C3)C1)C2
MolPort-028-951-674 0.71 COC1CCC(CC1)C(=O)OC
MolPort-006-067-731 0.71 NC(CCC(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-029-001-170 0.71 C[C@H]1[C@@H](C)C1C(O)=O
MolPort-005-313-657 0.71 NC1(C2CC3CC(C2)CC1C3)C(O)=O
MolPort-029-079-113 0.71 COC(=O)[C@@H]1CC[C@H](O)CC1
MolPort-029-670-578 0.71 CC(C)(C1CC1)C(O)=O
MolPort-005-944-759 0.71 COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4C(O)=O)CC[C@H]12
MolPort-028-606-549 0.71 NC1(CC(O)=O)C2CC3CC(C2)CC1C3
MolPort-004-769-112 0.71 OC(=O)C1(CCCCC1)C#N
MolPort-027-835-696 0.71 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
MolPort-026-972-181 0.71 OC(=O)C1(CC#C)CCCCC1
MolPort-027-950-290 0.71 COC(=O)C1(C)CCC(=O)CC1
MolPort-006-329-117 0.71 [NH3+]C12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-027-835-931 0.71 C[C@H]1C[C@H](C1)C(O)=O
MolPort-035-776-103 0.71 COC(=O)CC1CCCC(O)C1
MolPort-035-718-765 0.71 OC(=O)C12CC3CC(CC(C3)C1I)C2
MolPort-007-980-877 0.71 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)C[C@@]3(C[C@H]4O)CC[C@H]12
MolPort-003-941-570 0.71 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-835-932 0.71 C[C@H]1C[C@@H](C1)C(O)=O
MolPort-003-932-856 0.71 O.N[C@@H](CC1CCCCC1)C(O)=O
MolPort-007-980-873 0.71 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@H]12
MolPort-008-155-639 0.71 OC(=O)[C@H]1CC[C@@H](CC1)C(F)(F)F
MolPort-008-268-012 0.71 N[C@H]1CCC[C@H](C1)C(O)=O.N[C@@H]1CCC[C@@H](C1)C(O)=O
MolPort-035-758-664 0.71 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-845-121 0.71 OC(=O)CC12CC3CC(C1)CC(C3)(C2)C(F)(F)F
MolPort-027-835-951 0.71 OC(=O)CC1CCC(F)(F)CC1
MolPort-003-999-630 0.71 COC(=O)C12CC3CC(C1)C(=O)C(C3)C2
MolPort-004-285-584 0.71 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-033-481-793 0.71 N[C@@H](CC(O)=O)C1CCCCC1
MolPort-019-995-899 0.71 CC1(CCC1)C(O)=O
MolPort-016-637-327 0.71 OC(=O)C12CCC(CC1)(CC2)C(F)(F)F
MolPort-021-873-196 0.71 COC(=O)C1CCC(=O)CC1(C)C
MolPort-016-633-969 0.71 OC(=O)CC1CCCC(C1)C(F)(F)F
MolPort-023-330-903 0.71 NC12CCC(CC1)(CC2)C(O)=O
MolPort-019-904-296 0.71 N[C@H]1CCCC[C@@H]1C(O)=O
MolPort-009-196-248 0.71 OC(=O)C1CCC(=C)CC1
MolPort-022-371-002 0.71 OC(=O)C1(CC=C)CCCCC1
MolPort-022-470-203 0.71 CC1(CC(O)=O)CC1
MolPort-021-544-499 0.71 OC(=O)CC1CCC(CC1)C(F)(F)F
MolPort-019-949-593 0.71 CC(C)(C)C1CCC(N)(CC(O)=O)CC1
MolPort-020-915-654 0.71 CC1CC(C1)C(O)=O
MolPort-011-130-403 0.71 CC(N)(C1CCCCC1)C(O)=O
MolPort-022-056-615 0.71 CC1CC(C)(C1)C(O)=O
MolPort-020-256-558 0.71 CC1CCC(N)(CC(O)=O)CC1
MolPort-022-056-772 0.71 CC1(C)CC(C)(C1)C(O)=O
MolPort-016-579-549 0.71 N[C@]12C[C@@H]3C[C@H](C1)C[C@@](CC(O)=O)(C3)C2
MolPort-023-213-668 0.71 COC(=O)[C@@H]1CCC[C@H](CO)C1
MolPort-022-151-238 0.71 NCC1CCCC(C1)C(O)=O
MolPort-019-906-269 0.71 CC1(C)CC(C1)C(O)=O
MolPort-021-224-776 0.71 CC1(C)CCCC(N)(C1)C(O)=O
MolPort-009-199-070 0.71 CC1(C)C[C@@H]1C(O)=O
MolPort-023-331-547 0.71 OC(=O)CC1(CCCCC1)C#N
MolPort-000-000-282 0.71 NC1CCCCC1C(O)=O
MolPort-025-500-533 0.71 CC(=O)CCC(C)(C)O
MolPort-044-657-110 0.71 OC(=O)CC1(CCCCC1)C=C
MolPort-002-530-209 0.71 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-002-524-906 0.71 COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-044-422-367 0.71 CC1CCC(CC1N)C(O)=O
MolPort-002-510-888 0.71 COC(=O)CCC(C)C1CCC2C3C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
MolPort-008-492-116 0.71 CC(C1CC1)C(O)=O
MolPort-044-559-183 0.71 COC(=O)C1CCCC(C1)C=O
MolPort-044-559-283 0.71 N[C@H]1C2CCC(CC2)[C@@H]1C(O)=O
MolPort-044-586-679 0.71 CC1(C)C(C)(C)C1(C)C(O)=O
MolPort-044-625-844 0.71 OC(=O)C1(CC2CCC1CC2)C#N
MolPort-044-650-500 0.71 NC[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C(O)=O
MolPort-002-499-448 0.71 N[C@H](C1CCCCC1)C(O)=O
MolPort-044-182-172 0.71 OC(=O)C12[C@@H]3C4C1C1[C@H]2[C@H]3C41CBr
MolPort-044-723-330 0.71 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-002-473-430 0.71 NC1CCC(CC1)C(O)=O
MolPort-044-812-162 0.71 COC(=O)C1CC2CCC1CC2=O
MolPort-002-345-591 0.71 COC(=O)C1CCC(=O)CC1
MolPort-046-067-751 0.71 COC(=O)CCC(C)[C@H]1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-002-054-029 0.71 N[C@H]1CCCC[C@H]1C(O)=O
MolPort-002-017-760 0.71 NC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MolPort-046-156-398 0.71 COC(=O)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)CC1CC3=O
MolPort-046-159-909 0.71 C[C@@H](C1CC1)C(O)=O
MolPort-001-837-678 0.71 COC(=O)CCC1CCCCC1=O
MolPort-002-537-123 0.71 NC(CC12CC3CC(CC(C3)C1)C2)C(O)=O
MolPort-002-575-065 0.71 COC(=O)C12CC3CC(C1)[C@H](O)C(C3)C2
MolPort-035-942-015 0.71 OC(=O)C12CCC(F)(CC1)CC2
MolPort-039-055-606 0.71 CC1(C)C2(C)CCC1(C(O)C2O)C(O)=O
MolPort-038-073-805 0.71 OC(=O)[C@H]1CC[C@H](F)CC1
MolPort-038-073-911 0.71 OC(=O)[C@@H]1CC[C@H](F)CC1
MolPort-038-077-439 0.71 C[C@@H]1C[C@@H]1C(O)=O
MolPort-003-925-561 0.71 N[C@@H]1CCCC[C@H]1C(O)=O
MolPort-038-386-720 0.71 CC1(C)CCCC2(C)C1CCC1(C)C(CC(O)=O)C(=C)CCC21
MolPort-003-921-251 0.71 COC(=O)CC1CCCC(=O)C1
MolPort-038-387-362 0.71 C[C@]1(N)CCCC[C@H]1C(O)=O
MolPort-003-847-534 0.71 [2H]C([2H])(N)C1(CCCCC1)C([2H])([2H])C(O)=O
MolPort-003-824-861 0.71 N[C@@H]1CCCC[C@@H]1C(O)=O
MolPort-039-052-710 0.71 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-003-710-159 0.71 NCC(CC(O)=O)C1CCCCC1
MolPort-044-182-062 0.71 CC12CC(C1)(C2)C(O)=O
MolPort-039-338-225 0.71 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)[C@](O)(CO)C3=O)C(O)=O
MolPort-042-579-512 0.71 COC(=O)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)C[C@H]1CC3=O
MolPort-002-919-242 0.71 COC(=O)CCC(C)[C@H]1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-042-624-145 0.71 N[C@H](CCC1CCCCC1)C(O)=O
MolPort-042-678-236 0.71 COC(=O)C1CCC(=O)C(C)C1
MolPort-042-682-603 0.71 N[C@@H](CCC1CCCCC1)C(O)=O
MolPort-002-726-849 0.71 NCC12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-002-709-137 0.71 CC12CC3(C)CC(N)(C1)CC(C2)(C3)C(O)=O
MolPort-044-182-029 0.71 Cl.NCC12CCC(CC1)(CCC2)C(O)=O
MolPort-044-182-034 0.71 OC(=O)C12CCC(CC1)(CC2)C(F)F
MolPort-001-827-499 0.71 COC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
MolPort-046-417-138 0.71 [Pt++].NC1CCCCC1N.CCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCC([O-])=O
MolPort-046-418-278 0.71 O.[Pt++].NC1CCCCC1N.CCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCC([O-])=O
MolPort-000-145-645 0.71 OC(=O)C1CCC(CC1)C(F)(F)F
MolPort-000-337-089 0.71 CC1(C)C2CCC1(C(O)=O)C(=O)C2=O
MolPort-000-163-069 0.71 NC(C(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-046-690-467 0.71 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-153-788 0.71 OC(=O)CC1CC1
MolPort-000-153-742 0.71 OC(=O)C1CCC1
MolPort-000-150-999 0.71 NC1CCCC(C1)C(O)=O
MolPort-046-701-913 0.71 N[C@]12C[C@@H]3C[C@H](C1)C[C@](C3)(C2)C(O)=O
MolPort-000-147-348 0.71 NC1(CCCCC1)C(O)=O
MolPort-000-146-220 0.71 N[C@@H](CC1CCCCC1)C(O)=O
MolPort-046-736-812 0.71 OC(=O)[C@@H]1CCC[C@H](CF)C1
MolPort-046-764-569 0.71 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-791-371 0.71 CC1CC1C(O)=O
MolPort-000-004-551 0.71 COC(=O)C1CCC(O)CC1
MolPort-046-774-104 0.71 C[C@@]1(F)CC[C@@H](CC1)C(O)=O
MolPort-046-774-180 0.71 OC(=O)C1(CCCCC1)C=C
MolPort-000-001-225 0.71 NC(CC(O)=O)C1CCCCC1
MolPort-000-000-653 0.71 NC1(CC(O)=O)CCCCC1
MolPort-000-000-548 0.71 CC1CCCC(N)(C1)C(O)=O
MolPort-000-000-547 0.71 CCC1CCC(N)(CC1)C(O)=O
MolPort-000-000-546 0.71 CC(C)(C)C1CCC(N)(CC1)C(O)=O
MolPort-000-000-500 0.71 N[C@@H](C1CCCCC1)C(O)=O
MolPort-000-000-428 0.71 NC(C1CCCCC1)C(O)=O
MolPort-000-385-199 0.71 NC12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-000-422-025 0.71 CC1(C)C2(C)CCC1(C(O)=O)C(=O)C2=O
MolPort-000-422-026 0.71 CC1(C)C2(C)CCC1(C([O-])=O)C(=O)C2=O
MolPort-000-860-856 0.71 CC1(C)CC1C(O)=O
MolPort-046-508-853 0.71 COC1CCCC(CC(=O)OC)C1
MCULE-7929171022 0.71 [C@H]1(CCC[C@H](N)C1)C(O)=O
MCULE-8945171251 0.71 C12(CCC(C(O)C1O)(C)C2(C)C)C(O)=O
MCULE-4240092447 0.71 NC(C12CC3CC(C1)CC(C3)C2)C(O)=O
MCULE-3300513366 0.71 C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
MCULE-8724032546 0.71 C(O)(=O)[C@H]1CC[C@H](CC1)N
MCULE-9341930354 0.71 C(O)(=O)CC(CN)C1CCCCC1
MCULE-1829182577 0.71 C(O)(=O)[C@@H](N)CC1CCCCC1
MCULE-5817753753 0.71 C1(C(N)C(O)=O)C2CC3CC1CC(C2)C3
MCULE-2713838733 0.71 N[C@H]1C[C@H](C(O)=O)CCC1
MCULE-4407634771 0.71 C(O)([C@]1(C[C@@](CCC1)(N)[H])[H])=O
MCULE-2504384390 0.71 NC(C(O)=O)CC1C2CCC(CC2)C1
MCULE-1112147502 0.71 [C@@H]1(C(O)=O)CC[C@H](F)CC1
MCULE-7945776155 0.71 N#CC1(CCCCC1)CC(O)=O
MCULE-3085785547 0.71 C1(=O)C2CCCC1CC(C(OC)=O)C2
MCULE-6281277617 0.71 O=C(O)C12CC3CC(C(C(C3)C1)N)C2
MCULE-1757330006 0.71 C1(C(O)=O)C(C1)C
MCULE-8909515747 0.71 NC1(CCCCC1)CCC(O)=O
MCULE-9539625763 0.71 C[C@]1([C@@](C(=O)O)([H])C1)[H]
MCULE-9343385076 0.71 CC(C(O)=O)C1CC1
MCULE-9921018497 0.71 C(CC)(C(O)(CCC)CCC)=O
MCULE-3322835262 0.71 [C@@]12(C)[C@@H]([C@H](C)CCC(OC)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@@]3(C[C@H]1O)[H])O)C[C@@H]2O)[H]
MCULE-4731070853 0.71 N[C@@H](C(O)=O)C1CCCCC1
MCULE-3503061214 0.71 CC1C(N)CC(C(O)=O)CC1
MCULE-3807692416 0.71 [C@@]12(C)C(C(C)CCC(OC)=O)CCC1C1C([C@@]3(C)CC[C@H](C[C@]3(CC1=O)[H])O)C[C@@H]2O
MCULE-1232976456 0.71 [C@H]1(C(OC)=O)CCC(=O)C[C@H]1C
MCULE-1989342896 0.71 C123CCC4(C(C)(CCCC4(C)C(OC)=O)C1CCC(C(O)C2)(C)C3)[H]
MCULE-6684164155 0.71 C1CCC[C@@](N)(C)[C@@H]1C(=O)O
MCULE-8268242824 0.71 C[C@@](C(O)=O)(C1CCCCC1)N
MCULE-4410115478 0.71 [C@@H]1(C(O)=O)C[C@@H]1C
MCULE-2346110250 0.71 OC(C1(C#N)CCCCC1)=O
MCULE-5559107138 0.71 C(O)(=O)C(N)CC1CCCCC1
MCULE-9507759371 0.71 [C@@H]1(C(=O)O)CCCC[C@H]1N
MCULE-5415931440 0.71 OC(C(C#N)CC1C2CCC(CC2)C1)=O
MCULE-1993920160 0.71 OC(CC12CC3(CC(CC(C3)C1)C2)F)=O
MCULE-2113829273 0.71 C1(CC(C1)(C)C)C(O)=O
MCULE-9219404299 0.71 C(O)(=O)C1(CCCCC1)N
MCULE-4776444873 0.71 C1[C@@]2(C)C(CC(=O)[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@H]2[C@H](C)CCC(OC)=O)C[C@H](O)C1
MCULE-9390338811 0.71 C12(C)CCC(CC1C(O)CC1C3C(C)(C(CC3)C(C)CCC(OC)=O)CCC12)O
MCULE-4726054760 0.71 C12(CC3CC(CC(C3)C1)C2)CC(N)C(O)=O
MCULE-9551989061 0.71 CC1(CC(C(C(O)=O)N)CCC1)C
MCULE-9582782871 0.71 O=C(O)[C@H]1C[C@H]1C
MCULE-2762522520 0.71 C1(C)(CC(C)(CO)CC(C)(CO)C1)C(OC)=O
MCULE-3237315685 0.71 C12(C(N)CCC(O)=O)CC3CC(CC(C3)C1)C2
MCULE-1018303180 0.71 CC1(C(C(O)=O)C1)C
MCULE-9263682164 0.71 CC1CC(C(CC(O)=O)CN)CCC1
MCULE-8951813405 0.71 O=C(O)[C@@H]1C[C@H](C)C1
MCULE-1777784731 0.71 O=C(O)[C@@H]1C[C@@H](C)C1
MCULE-9435099116 0.71 C1(CC2CCCC(C2O)C1)C(OC)=O
MCULE-1532310651 0.71 C(O)(CCC(N)C1CCCCC1)=O
MCULE-7835784895 0.71 CCC(C(O)=O)(C1C(C#N)CCCC1)C
MCULE-4342576862 0.71 CC1(C(C(C(O)=O)N)CCCC1)C
MCULE-8747851602 0.71 COC(CC12CC3(CC(CC(C3)C1)C2)O)=O
MCULE-3064909547 0.71 C123CCC4(C(C)(CCCC4(C)C(OC)=O)C1CCC(C(=O)C2)(C)C3)[H]
MCULE-3555665532 0.71 C12(CC3CC(CC(C3)(CN)C1)C2)C(O)=O
MCULE-1910011034 0.71 OC(CC12CC3CC(CC(C(F)(F)F)(C3)C1)C2)=O
MCULE-9036564869 0.71 F[C@H]1CC[C@H](C(O)=O)CC1
MCULE-9783233720 0.71 C1(C(OC)=O)CCC(=O)CC1
MCULE-3026300598 0.71 OC(CC1CC1)=O
MCULE-9072026310 0.71 [O-]C([C@H](CCC1CCCCC1)[NH3+])=O
MCULE-2150323000 0.71 C12CCC(C(=O)C1)CC2C(OC)=O
MCULE-8474360288 0.71 [O-]C([C@@H](CCC1CCCCC1)[NH3+])=O
MCULE-2941048101 0.71 CC1(CCCCC1)CC(C(O)=O)N
MCULE-8509150282 0.71 C12(C)CCC3C(C(O)CC4CC(O)CCC34C)C1CCC2C(C)CCC(OC)=O
MCULE-8651510015 0.71 CC1(CCC(C(O)=O)(N)CC1)C
MCULE-9802411985 0.71 NC1C(CCC(O)=O)CCCC1
MCULE-4817107962 0.71 CCCCC(=O)[O-].[Na+]
MCULE-5798146682 0.71 [C@H]1(C(O)=O)CCC[C@@H](N)C1
MCULE-6916552002 0.71 OC(CC1CC(C(F)(F)F)CCC1)=O
MCULE-3251809063 0.71 CC1CC(C)(C)CC(C(C(O)=O)N)C1
MCULE-5655319610 0.71 CC1C(C(C(O)=O)N)CCC(C)(C)C1
MCULE-6368019362 0.71 C(C1CC(C(OC)=O)CCC1)=O
MCULE-5578021534 0.71 CC(C(=O)O)(N)C1CCCCC1
MCULE-4478864348 0.71 C12(CCC(C(=O)C1=O)(C)C2(C)C)C(O)=O
MCULE-6068770963 0.71 C1(CC2C(CC(CC2)F)C1)C(O)=O
MCULE-7735898604 0.71 CC1CCC(C(O)=O)(N)CC1
MCULE-6388172792 0.71 CC(C(=O)O)(C1CC1)C
MCULE-1033171255 0.71 C(O)(=O)CC1CCC(F)(F)CC1
MCULE-1044966713 0.71 CC1(C(C(O)=O)CCCC1)N
MCULE-9571137556 0.71 O[C@H]1[C@H]2C[C@](C([O-])=O)(CC2)[C@H]1O
MCULE-2164840222 0.71 C(O)(=O)[C@@H](N)C1CCCCC1
MCULE-9169717873 0.71 C[C@]1(CC[C@H](C(O)=O)CC1)F
MCULE-8755334051 0.71 O=C1C[C@@H]2C[C@@H](CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@H]3[C@@H]21)O
MCULE-6069497068 0.71 C12(C)CCC(CC(C(OC)=O)C1)C2(C)C
MCULE-9161171059 0.71 O=C(O)[C@H]1CCC[C@@H](N)C1
MCULE-4558889415 0.71 C(OC)(=O)CC1CCCC(O)C1
MCULE-5636608579 0.71 [C@@]12(C)[C@@]([H])([C@]([H])(C)CCC(OC)=O)CCC1C1([C@@]([H])([C@@]3(C)CC[C@H](CC3(C[C@H]1O)[H])O)C[C@@H]2O)[H]
MCULE-6833373747 0.71 OC(C1CCC(C(F)(F)F)CC1)=O
MCULE-8539228760 0.71 CC1(C(O)=O)CCC1
MCULE-8951158493 0.71 O=C(OC)[C@@H]1CC[C@@H](O)CC1
MCULE-8237318279 0.71 C(O)(=O)C1CCC(CC1)F
MCULE-2549114989 0.71 C12(CCC(C(=O)C1=O)C2(C)C)C(O)=O
MCULE-4472169894 0.71 CC1(C(C(O)=O)(C)C1(C)C)C
MCULE-9608461367 0.71 O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)OC)[C@]21C)O)O
MCULE-6340408888 0.71 C1CC2(C)C3CCC(=C)C(CC(=O)O)C3(C)CCC2C(C)(C)C1
MCULE-8422622960 0.71 C1C(C)(C)C(C(=O)OC)CCC1=O
MCULE-4892184412 0.71 O=C([C@@H](CC1CCCCC1)N)O
MCULE-2730367375 0.71 C1C[C@@H](C(=O)O)C[C@@H](N)C1
MCULE-2490755485 0.71 C(OC)(=O)C1CCC(CC1)O
MCULE-6816115317 0.71 CC(C1CC(C(C(O)=O)N)CCC1)C
MCULE-8481937131 0.71 C1(C)(C)C(C)C(F)CCC1C(O)=O
MCULE-9964066195 0.71 [C@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@]([C@@H](O)C1)(C)[C@@H]([C@H](C)CCC(OC)=O)CC3)C(=O)[C@@H]2CC
MCULE-7620286976 0.71 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(C3(C)CCC(CC3CC1O)O)CC2O
MCULE-3100319503 0.71 C12(C)CCC3C(CCC4([H])CC5(CO5)CCC34C)C1CCC2C(C)CCC(OC)=O
MCULE-6017464144 0.71 N[C@H]1[C@H](C(O)=O)CCCC1
MCULE-9691813206 0.71 CC(C1CCC(C(O)=O)(N)CC1)(C)C
MCULE-9708582870 0.71 N[C@H]1[C@@H](C(O)=O)CCCC1
MCULE-9532593296 0.71 CC(C1C(C(C(O)=O)N)CCCC1)C
MCULE-2062255348 0.71 CCC(C1(C(O)=O)CCCCC1)C#N
MCULE-9066891378 0.71 C1(CC2CCC(C2C)C1)C(OC)=O
MCULE-7490068037 0.71 C1(=C)C2CCCC1CC(C(O)=O)C2
MCULE-5468801129 0.71 O=C(OC)C1(CCC(=O)CC1)CC
MCULE-5098090144 0.71 C1(CCCCC1)C[C@@H](N)C(=O)O
MCULE-7838384653 0.71 O=C(OC)C1(CCC(=O)CC1)C
MCULE-2498509888 0.71 C(O)(C1CCC1)=O
MCULE-6065075859 0.71 COC(C1C2C1CCCC2)=O
MCULE-4748853936 0.71 C(CCCC)([O-])=O.[K+]
MCULE-6287685133 0.71 [C@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(OC)=O)CC3)C(=O)C2
MCULE-9878043813 0.71 [C@@]123CC[C@]4([C@@](C)(CCC[C@@]4(C)C(OC)=O)C1CC[C@@]([C@H](O)C2)(C)C3)[H]
MCULE-1357461858 0.71 NCC(C(O)=O)C1C2CC3CC(C2)CC1C3
MCULE-3443210425 0.71 C1(CCCCC1)[C@@H](N)C(=O)O
MCULE-8020008413 0.71 CC(C1C(C(O)=O)(N)CC(C)CC1)C
MCULE-3708460110 0.71 C1(CCCC(C)C1=O)CCC(=O)OC
MCULE-1245851874 0.71 [C@H]1(C(O)=O)C[C@H]1C
MCULE-4499487863 0.71 [C@H]1(C(O)=O)C[C@@H]1C
MCULE-3467671648 0.71 N[C@@H]1C[C@H](C(=O)O)CCC1
MCULE-4794376608 0.71 [C@@H]1(C(OC)=O)CC[C@H](O)CC1
MCULE-1491623105 0.71 C12CC1C1C3C4C(C(C(=O)OC)C23)C2CC2C4C1C(=O)OC
MCULE-5392848565 0.71 C(O)(CC1(CCCCC1)CN)=O
MCULE-8297559285 0.71 OC(C1(CCCCC1)CC#C)=O
MCULE-8306311088 0.71 CC1([C@@H](C(O)=O)C1)C
MCULE-4116931238 0.71 OC([C@@]1(CC[C@](C(F)(F)F)(CC1)[H])[H])=O
MCULE-4411912767 0.71 CC1(C(C(O)=O)N)CCCCC1
MCULE-9914793144 0.71 C(O)(=O)[C@H](C1CCCCC1)N
MCULE-6415286897 0.71 CC(C1C2CCC(CC2)C1)C(C(O)=O)N
MCULE-1248399119 0.71 C1(CCCC(=O)C1)CC(=O)OC
MCULE-6719378847 0.71 CC(C(O)=O)C1CCC(F)(F)CC1
MCULE-1282073554 0.71 CC1CC(C(C(O)=O)C#N)CCC1
MCULE-1721377644 0.71 C(O)(=O)C1CCCC(N)C1
MCULE-3245133103 0.71 C1(CN)(CC2CCC1CC2)C(O)=O
MCULE-8551085565 0.71 C(O)(=O)[C@@H](N)CC1CCCCC1
MCULE-3357976441 0.71 CC1CC(CC(C(O)=O)C#N)CCC1
MCULE-7157523749 0.71 CCC1C(C(C(O)=O)C#N)CCCC1
MCULE-5960738848 0.71 NC1(C(O)=O)C2CCC(CC2)C1
MCULE-2290145434 0.71 CC(C(O)=O)C1C(C#N)CCC(C)C1
MCULE-3001830028 0.71 CC1CC(C(C(O)=O)C#N)CC(C)C1
MCULE-2091625893 0.71 CC1CC(CC(O)=O)C(C#N)CC1
MCULE-1947505532 0.71 CC1C(C)CC(C(C(O)=O)C#N)CC1
MCULE-8766040004 0.71 CC(C1(C(O)=O)CCCCC1)C#N
MCULE-7674467260 0.71 CC1C(C(O)=O)(N)CCCC1
MCULE-5261629098 0.71 CCC1CCC(C(C(O)=O)C#N)CC1
MCULE-4635304036 0.71 [H][C@@]1([C@@H](CCC(OC)=O)C)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])[C@@H](O)C3)[H])([H])CC1
MCULE-3433205000 0.71 C12(CC3CC(CC(C3)(N)C1)C2)CC(O)=O
MCULE-7704776647 0.71 CCC1CCC(C(O)=O)(N)CC1
MCULE-2015120876 0.71 C1(CCC(CC1)CCC(O)=O)(F)F
MCULE-4023312156 0.71 C1(C(C)C)(CCC(CC1)=O)C(OC)=O
MCULE-7608394049 0.71 COC(C1C2C(C2)CCC1)=O
MCULE-5304885263 0.71 COC([C@H]1C[C@@H]2[C@@H](C2)C1)=O
MCULE-6968173705 0.71 C1(C)(C)C(C1(C)C)C(O)=O
MCULE-7952794030 0.71 CC1CC(C(O)=O)(N)CCC1
MCULE-4640003531 0.71 C1C[C@@]2(C)C3C4(CCC2[C@@](C(O)=O)(C)C1)CC(=C)C(CC3)C4
MCULE-6057991485 0.71 CC(C#N)(CC1(C(O)=O)CCCCC1)C
MCULE-4891767604 0.71 C(F)(F)(F)[C@@H]1CC[C@H](CC1)C(O)=O
MCULE-3521941465 0.71 CCC1CC(C(C(O)=O)C)C(C#N)CC1
MCULE-4749715660 0.71 NC(C12CC3CC(CC(C3)C1)C2)CC(O)=O
MCULE-9520777832 0.71 C(O)(=O)C1CCC(CC1)=C
MCULE-8211524577 0.71 C1(C)(C)C(C)C(=O)CCC1C(OC)=O
MCULE-6319842037 0.71 C12(CC3(C)CC(C)(CC(C3)(N)C1)C2)C(O)=O
MCULE-3734527997 0.71 C(C(N)C1CCCCC1)C(O)=O
MCULE-8311790395 0.71 C1C2CC3(C(=O)O)CC1CC(C3I)C2
MCULE-6305007274 0.71 NC(C(O)=O)C1C2CCC(CC2)C1
MCULE-5489170432 0.71 CCC1CC(CC(O)=O)C(C#N)CC1
MCULE-7483330790 0.71 NC(C1C2CCC(CC2)C1)CC(O)=O
MCULE-1590977154 0.71 C1(C)(CC(O)=O)CC1
MCULE-4405441646 0.71 CC1(CC(C(=O)O)(N)CCC1)C
MCULE-7970786613 0.71 CC(C#N)CC1(C(O)=O)CCCCC1
MCULE-9767310882 0.71 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(C3(C)CCC(CC3(CC1=O)[H])O)CC2O
MCULE-2287333362 0.71 CC(C1(C(O)=O)CCCCC1)CC#N
MCULE-1609768890 0.71 C(C1(CCC(CC1)C(C)(C)C)N)C(O)=O
MCULE-2665445473 0.71 [C@@H]1(C(O)=O)CCCC[C@@H]1N
MCULE-3399110442 0.71 C1C(C(CCC1)CC(C(=O)OC)C)=O
MCULE-2717091342 0.71 C12(CC3CC(CC(C3)(N)C1)C2)C(O)=O
MCULE-4991619146 0.71 C(O)(=O)[C@H]1CCCC[C@H]1CN
MCULE-5659163308 0.71 C(C1(CCC(CC1)C)N)C(O)=O
MCULE-2185016477 0.71 CC1CC(C(O)=O)C1
MCULE-8264766500 0.71 [C@H]1(C(O)=O)CCC[C@H](N)C1
MCULE-3259621922 0.71 C(O)(CC1CCCC(=C)C1)=O
MCULE-4566297528 0.71 C1(N)(CC2CCCC(C2)C1)C(O)=O
MCULE-6511835645 0.71 C1(CCCCC1CCC(OC)=O)=O
MCULE-3859075685 0.71 CC1(CCC(CC(C(O)=O)C#N)CC1)C
MCULE-5063955477 0.71 CCC1CC(C(C(O)=O)C#N)CCC1
MCULE-2033801873 0.71 NC(C(O)=O)C1CCCCC1
MCULE-8159870130 0.71 CCC(C(O)=O)C1C(C#N)CCC(C)C1
MCULE-9655484954 0.71 O=C([C@H](CCC1CCCCC1)N)O
MCULE-4701685829 0.71 N[C@H]1[C@@H](CC(O)=O)CCCC1
MCULE-3209018073 0.71 C1(CC2CCCC(C2F)C1)C(O)=O
MCULE-8171881999 0.71 CC1CC(C(C(O)=O)(C)C)C(C#N)CC1
MCULE-5456178986 0.71 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-4600025587 0.71 N[C@H]1[C@@H](C(O)=O)CCCC1
MCULE-3657074636 0.71 CC(C(O)=O)C1C(C#N)CCCC1
MCULE-6203238767 0.71 NC1C(C(O)=O)CCCC1
MCULE-8253785472 0.71 C[C@@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](C[C@@H]2O)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])CC3=O)[H])([H])CC1)CCC(=O)OC
MCULE-7478352290 0.71 CC1CCC(CC(C(O)=O)C#N)CC1
MCULE-8497452065 0.71 CCC(C(O)=O)C1C(C#N)CCCC1
MCULE-8058233700 0.71 CC1([C@@H](C(=O)O)C1)C
MCULE-8190439121 0.71 CC(C1C(C(C(O)=O)N)CC(C)CC1)C
MCULE-3549032007 0.71 CC1(CC(C)(C)CC(C(C(O)=O)N)C1)C
MCULE-4806196645 0.71 CC(C(O)=O)(C1C(C#N)CCCC1)C
MCULE-2135009453 0.71 COC(CC1CC2C(C2)CC1)=O
MCULE-4408009121 0.71 C(=O)C(C)(C)C(O)CCC
MCULE-4174725271 0.71 [C@@]12([H])C[C@@H]([C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC(=O)OC)O
MCULE-8588768770 0.71 OC1CCC(CC(C(O)=O)C#N)CC1
MCULE-4345050528 0.71 O=C(C[C@@H](C1CCCCC1)N)O
MCULE-5411687824 0.71 [C@H]1(C(=O)O)CCCC[C@@H]1N
MCULE-8772877351 0.71 C12(C(OC)=O)CC3CC(CC(C3=O)C1)C2
MCULE-8647828626 0.71 [C@@H]1(C(O)=O)CC[C@@H](N)CC1
MCULE-2879076377 0.71 C(C1(CCCCC1)N)C(O)=O
MCULE-4334214625 0.71 O=C([C@@H](CCC1CCCCC1)N)O
MCULE-2621918749 0.71 C[C@H]1[C@H](C(O)=O)C1
MCULE-3174021569 0.71 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-8070492716 0.71 [C@H]1(C(O)=O)[C@H](C1)C
MCULE-7347988261 0.71 [C@H]1(C(O)=O)[C@@H](C1)C
MCULE-3955780560 0.71 OC1CC(CC(C(O)=O)C#N)CCC1
MCULE-9163820034 0.71 C1(C(OC)=O)CC(CCC1)CO
MCULE-9300153165 0.71 [C@@H]1(C(O)=O)[C@H](C1)C
MCULE-8863094218 0.71 CC(C1C(C(C(O)=O)N)CCCC1)(C)C
MCULE-1046681297 0.71 CC1CC(C)C(C(C(O)=O)N)CC1
MCULE-7037741688 0.71 OC(C1(CCCCC1)CCC#N)=O
MCULE-7645416747 0.71 O=C1CC2(CC(C3C4CCC(C(C)CCC(OC)=O)C4(C)C(CC3C2(C)CC1)=O)=O)[H]
MCULE-6881660949 0.71 CC1C(C)C(C(C(O)=O)N)CCC1
MCULE-2950511835 0.71 CC1CC(C(C(O)=O)N)C(C)CC1
MCULE-9934858112 0.71 OCC1(C(=O)C(CO)(CO)CC1)CO
MolPort-002-498-177 0.71 OCC1(CO)CCC(CO)(CO)C1=O
MolPort-005-945-931 0.70 CC12CC1(CO)C(=O)C(O)C1CC(C)(CO)CC21
MolPort-028-949-134 0.70 COC(=O)C1(C)CCCCCC1
MolPort-001-769-653 0.70 OC(=O)CCCCCCCCCCCCCCCBr
MolPort-001-769-654 0.70 OC(=O)CCCCCCBr
MolPort-028-950-807 0.70 COC(=O)CC1CCCCCC1
MolPort-046-647-152 0.70 OC(=O)C1CC2(C1)CC(=C)C2
MolPort-002-135-180 0.70 CC(C)CCC(N)CCC(O)=O
MolPort-028-951-303 0.70 COCCC1(CCCCC1)C=O
MolPort-044-876-094 0.70 COC(=O)C1CCCC(CC1)C(O)=O
MolPort-002-135-175 0.70 Cl.NC(CCCCCC(O)=O)CCCCC(O)=O
MolPort-046-147-350 0.70 COC(=O)CCC1CC(=O)C1
MolPort-002-054-093 0.70 CCCCC(N)CC(O)=O
MolPort-028-987-661 0.70 OC(=O)CC1CCC(C1)C#N
MolPort-046-792-942 0.70 C[C@H](N)[C@@H](N)CCCCCC(O)=O
MolPort-020-393-494 0.70 COC(=O)C1CC2(CC(C2)C(O)=O)C1
MolPort-046-681-925 0.70 Cl.CCCC(N)CCC(O)=O
MolPort-001-767-645 0.70 OC(=O)CCCCCCCCCCCBr
MolPort-046-765-167 0.70 [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CC(C(C(CC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O
MolPort-020-096-090 0.70 Cl.CC(N)CCCC(C)C(O)=O
MolPort-046-676-172 0.70 COC(=O)C1CC2(CC(O)C2)C1
MolPort-000-701-213 0.70 OC(=O)CCCCCCCCCCBr
MolPort-020-167-030 0.70 Cl.CC(N)CCCCC(O)=O
MolPort-046-699-567 0.70 CCCC1CCC(=O)C(C1)OC
MolPort-028-750-184 0.70 O=C1CCC2(COC2)CC1
MolPort-001-011-501 0.70 Cl.CC(CCCCCCCN)CC(O)=O
MolPort-046-701-754 0.70 OCCOCCO.CCCCCCCCCCCCCCCCCC(O)=O
MolPort-044-768-607 0.70 OC(=O)C1CC2(CC(C2)C#C)C1
MolPort-019-990-323 0.70 Cl.NCCCCCCC(O)=O
MolPort-028-751-125 0.70 OC(=O)CCCCCCS
MolPort-028-766-980 0.70 OC(=O)C1CC2(CC(C2)C#N)C1
MolPort-023-333-002 0.70 COC(=O)C1CC2(C1)CC(=O)C2
MolPort-009-757-777 0.70 Cl.NC(CCCCC(O)=O)CCCCC(O)=O
MolPort-001-740-188 0.70 CC12CC34CC1C2CC3C1(C)CC(=O)CC(CO)(CO)C1C(O)C4
MolPort-000-147-763 0.70 CCCCC(N)(CCCC)C(O)=O
MolPort-010-979-282 0.70 COC(=O)CCC1CCCC1
MolPort-001-759-946 0.70 OC(=O)CCCCCCCBr
MolPort-001-760-609 0.70 OC(=O)CCCCCCCCCBr
MolPort-006-710-208 0.70 COC(=O)CC1CCCC1
MolPort-001-760-866 0.70 OC(=O)CCCCCCCCBr
MolPort-029-500-983 0.70 COC1(CCCCC1)C(C)=O
MolPort-029-095-418 0.70 COC1CCCCC1C=O
MolPort-002-501-940 0.70 CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC
MolPort-044-652-237 0.70 CCCCC(O)(CC(O)=O)C(O)=O
MolPort-029-670-982 0.70 COC(C=O)C1CCCCC1
MolPort-029-701-977 0.70 OC(=O)CCCCCCF
MolPort-002-500-663 0.70 OC(=O)CCCCCCCCCCCCCCCCBr
MolPort-013-876-676 0.70 COC(=O)C1CCCCCC1
MolPort-002-507-024 0.70 OC(=O)[C@H]1C[C@H]([C@H]([C@H]1C(O)=O)C(O)=O)C(O)=O
MolPort-002-507-052 0.70 COC(=O)CCCCCCCCC1CO1
MolPort-002-507-935 0.70 OC(=O)CCCCCCCCCCCl
MolPort-002-508-315 0.70 OC(=O)C1CC(C(C1C(O)=O)C(O)=O)C(O)=O
MolPort-003-666-886 0.70 [Zn++].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
MolPort-002-509-734 0.70 [K+].[O-]C(=O)CCCCCCCCC=C
MolPort-002-510-294 0.70 CC1(CO1)C1CCC2C3CCC4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-044-195-406 0.70 O=C1C[C@@H]2C[C@H](C1)C[C@]1(CO1)C2
MolPort-002-542-998 0.70 OC(=O)CCCCCCCCCCS
MolPort-023-134-934 0.70 Cl.NCCCCCCCC(O)=O
MolPort-005-313-995 0.70 COC(=O)C1CC2(C1)CC(C2)C(=O)OC
MolPort-002-558-144 0.70 COC(=O)CC1C(CC(C)=O)C1(C)C
MolPort-042-620-925 0.70 Cl.NC(CCC(O)=O)CCC(O)=O
MolPort-030-081-936 0.70 OC(=O)CCCCCCCCCl
MolPort-030-082-328 0.70 O=C1CC2CC(C1)CC1(CO1)C2
MolPort-004-765-920 0.70 COC1(CCCCC1)C=O
MolPort-042-683-472 0.70 COC(=O)CCC1(CCC(=O)OC)CC1
MolPort-039-032-926 0.70 OC(=O)CC1CC(C(C1C(O)=O)C(O)=O)C(O)=O
MolPort-002-867-056 0.70 CCCC(C)C(N)CC(O)=O
MolPort-044-729-973 0.70 CCCCCC(O)(CC(O)=O)C(O)=O
MolPort-035-789-434 0.70 Cl.CCCC(CCCCN)C(O)=O
MolPort-003-927-263 0.70 OC(=O)CCCCCCCCCCCCCCBr
MolPort-023-274-294 0.70 CC(CCO)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
MCULE-8271790861 0.70 C(O)(=O)C[C@H](N)CCCC
MCULE-1387096023 0.70 C(O)(=O)C[C@@H](N)CCCC
MCULE-6808627471 0.70 C1(C)(C)C(C)CCC1C(OC)=O
MCULE-9528951895 0.70 C(CCCCCCCCCCS)(O)=O
MCULE-5676666596 0.70 C(CCCCCC(N)C1CCCCCC1)(O)=O
MCULE-4669620712 0.70 C(CCCCCCCCC(CO)O)(OC)=O
MCULE-4168392191 0.70 C(CCCCC(=O)O)C(=O)CCCCCN.Cl
MCULE-2335916043 0.70 C1(CC(C1)CCC)C(OC)=O
MCULE-4496216726 0.70 C1(C)(C)C(C)CCC1CC(OC)=O
MCULE-4732495405 0.70 COCC1(C=O)CCCCC1
MCULE-5728710095 0.70 C(O)(=O)CCCCCCCCCBr
MCULE-7334205263 0.70 [C@@H]1(C(O)=O)[C@H](C(O)=O)C[C@H](C(O)=O)[C@@H]1C(O)=O
MCULE-7401124485 0.70 C(CCCCCCCCCCCBr)(=O)O
MCULE-5304256304 0.70 C(=O)(CCCC=C)CCCCCC(=O)O
MCULE-2748735108 0.70 Cl.C(O)(CC(C)CCCCCCCN)=O
MCULE-9911407009 0.70 C(CCCCCCCCCCBr)(O)=O
MCULE-6089872609 0.70 Cl.C(O)(=O)CCCCCCN
MCULE-8164488422 0.70 COCC(C1CC(C)(C)CC(C)(C)C1)=O
MCULE-6425557416 0.70 C(CCCCCCCBr)(O)=O
MCULE-3224135836 0.70 [C@@]1(CC)(C(O)=O)C[C@]1(CC)C(O)=O
MCULE-3555817163 0.70 C(CCCCCCCCCCCCCCCBr)(O)=O
MCULE-8272645411 0.70 N[C@@H]1C[C@H](CCC(O)=O)C1
MCULE-2540824488 0.70 C1(C)(CCC(C)C1(C)C)C(OC)=O
MCULE-9342597891 0.70 COC(CC1CCCC1)=O
MCULE-5574963694 0.70 C(OC)(CCC1CC(C1)C)=O
MCULE-8003000735 0.70 COC(C1CCCCCC1)=O
MCULE-5112394376 0.70 C12(CC3CC(CC(=O)C3)C1)CO2
MCULE-1382568449 0.70 NCCCCC1(C(O)=O)CCC1
MCULE-9725755461 0.70 C(O)(CCC(CCC(C)C)N)=O
MCULE-4888197133 0.70 C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
MCULE-5184172905 0.70 COC(CCC1CCCC1)=O
MCULE-2504666347 0.70 COC([C@@]1(C(C)(C)[C@H](C)CC1)C)=O
MCULE-9226475460 0.70 C1(C)(C)C(C1CC(OC)=O)CC(C)=O
MCULE-2869318355 0.70 COC(C1C2CCC(CC2)C1)C=O
MCULE-6176194108 0.70 C1(=O)CC2(C(C(CO)(C1)CO)C(O)CC13CC4C(C)(C4CC21)C3)C
MCULE-9453724084 0.70 C(CCCCCCCCC(C)Br)(O)=O
MCULE-5624759278 0.70 C12(COC1)CCC(CC2)=O
MCULE-7539264820 0.70 C(CCCCCCF)(O)=O
MCULE-7017177008 0.70 C(CCCCCCCCCCC(CCCCO)=O)(OC)=O
MCULE-8540511201 0.70 C(CC(=O)O)CCCCCl
MCULE-6747789478 0.70 C1(=O)C(O)C2CC(CO)(C)CC2C2(C)CC12CO
MCULE-4035454872 0.70 C1(C(=O)O)C(C(=O)O)C1C1C(C(=O)O)C1C(=O)O
MCULE-5962171721 0.70 C12(CC1)CC2CC(OC)=O
MCULE-5067075401 0.70 COC(C1CC2(CC(=O)C2)C1)=O
MCULE-3312704262 0.70 Cl.C(CCCCC(CCCCCC(O)=O)N)(O)=O
MCULE-1726605568 0.70 C(O)(=O)C(CCCC)(CCCC)N
MCULE-1178066242 0.70 O1C(C1)CCCCCCCCC(OC)=O
MCULE-2429138404 0.70 Cl.C(CCCCCCCCC(C)N)(O)=O
MCULE-9010808862 0.70 C(CCCCCCCCCl)(O)=O
MCULE-2692721517 0.70 C1(C2(C3(C4([H])C([H])(CCC14[H])C(C(OC)=O)C3([H])CC2)[H])[H])C(OC)=O
MCULE-1984030375 0.70 Cl.C(CCCCC(CCCCC(O)=O)N)(O)=O
MCULE-1979773774 0.70 Cl.CCCC(C(O)=O)CCCCN
MCULE-3419146501 0.70 C1(C(C(=O)O)CC(CC(O)=O)C1C(=O)O)C(=O)O
MCULE-4723059719 0.70 Cl.C(O)(CCC(CCC)N)=O
MCULE-8359478982 0.70 C(CCCCCCCC(O)C(O)CCCCCCCC)(OC)=O
MCULE-8473515219 0.70 COC(C1CC2(CCC2)C1)=O
MCULE-8705314129 0.70 C(O)(=O)CC(CCCC)N
MCULE-6772411265 0.70 C12C3C4C5C(=O)C3(C)C3C6CCCC6C(C(C)(C(OC)=O)C1C4CC5)C23
MCULE-4269382976 0.70 Cl.NCCCCCCCC(O)=O
MCULE-4764047452 0.70 C(OC)(=O)C1CCC(C(C)C)C1
MCULE-4837203441 0.70 [C@]12(C)CCC3C(CCC4CC(=O)CC[C@]34C)C1CCC2C1(C)CO1
MCULE-4092129512 0.70 CC1(C(CCC(O)=O)CC1N)C
MCULE-5511664944 0.70 C(O)(=O)[C@](CCCC)(CC)N
MCULE-1070368636 0.70 C12CC3C(C(C(=O)C3=O)C1O)C2
MCULE-5244912993 0.70 C1(CCC(C)(C(O)=O)C1(C)C)(C(O)=O)C(O)=O
MCULE-2622598542 0.70 C(O)(CCC(CCCC)N)=O
MCULE-5130020295 0.70 Cl.CC(CCCC(C(O)=O)C)N
MCULE-9134317193 0.70 C(C(C(C)CCC)N)C(O)=O
MCULE-5390667876 0.70 C(OC)(=O)C1CCC(CC)C1
MCULE-6083062286 0.70 C1(CC1CCC(OC)=O)CCC(OC)=O
MCULE-3306602652 0.70 Cl.CC(CCCCC(O)=O)N
MCULE-2584509009 0.70 C1(C(O)=O)C(C(O)=O)CC(C(O)=O)C1C(O)=O
MCULE-4704611362 0.70 OC(CCCCCCCCCCCCCCBr)=O
MCULE-3707649630 0.70 C(=O)(C=C)CCCCCC(=O)O
MCULE-3980379488 0.70 C(Br)CCCCCC(O)=O
MCULE-3842401382 0.70 COC(C1C2CC3CC(C2)CC1C3)C=O
MCULE-9777493485 0.70 CC(CC1(C(O)=O)CC1)=O
MCULE-7362604126 0.70 O=C(C(C(C(=O)O)CC)CC)O
MCULE-6745652179 0.70 CCC(C1(C(=O)O)CC1)=O
MCULE-2590805877 0.70 C1CC(=O)C[C@H]1CO
MCULE-9936742038 0.70 C(CCCCCCCCC(=O)O)C[C@H](O)CCC#C
MCULE-3074354031 0.70 C(O)(CCC(CCC)Cl)=O
MCULE-2459167157 0.70 C(CC(O)=O)CCCCCCBr
MCULE-7412307649 0.70 C(CCCCCCCCCCCl)(O)=O
MCULE-8671525222 0.70 C(CCCCCCCCC=C)(=O)[O-].[K+]
MCULE-1117044123 0.70 C1(CC(C1)CCCC)C(OC)=O
MCULE-1624807432 0.70 C(CCCCCCCC(CC)N)(O)=O.Cl
MCULE-7992402862 0.70 COCC1(C=O)CC(C)(C)CC(C)(C)C1
MolPort-036-249-191 0.70 CCC(=O)C1(CC1)C(O)=O
MolPort-037-964-212 0.70 CC(=O)CC1(CC1)C(O)=O
MolPort-008-266-505 0.70 CCC(C(CC)C(O)=O)C(O)=O
MolPort-035-683-130 0.70 OC[C@H]1CCC(=O)C1
MolPort-003-849-032 0.69 COC(=O)CCCCC=O
MolPort-039-337-792 0.69 OC(=O)C[C@@H]([C@@H](CC(O)=O)C(O)=O)C(O)=O
MolPort-000-000-585 0.69 CCCC(N)CC(O)=O
MolPort-006-169-599 0.69 CCC(N)CCC(O)=O
MolPort-001-792-914 0.69 OC(=O)CCCCC#C
MolPort-003-910-386 0.69 COC(=O)CCCC(C)C(=O)OC
MolPort-002-054-041 0.69 CCC(CC)C(N)CC(O)=O
MolPort-008-268-117 0.69 CC[C@H](C)[C@@H](N)CC(O)=O
MolPort-003-930-815 0.69 OC(=O)CCCCC=C
MolPort-008-268-126 0.69 CC[C@@H](C)[C@H](N)CC(O)=O
MolPort-027-835-959 0.69 COC(=O)CCCCCO
MolPort-002-499-411 0.69 CC(C)C[C@@H](N)CC(O)=O
MolPort-000-152-482 0.69 OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O
MolPort-002-501-444 0.69 CC(C)CC(N)CC(O)=O
MolPort-002-329-627 0.69 OC(=O)CCC(CC(O)=O)C(O)=O
MolPort-000-872-154 0.69 COC(=O)CCCCC(=O)OC
MolPort-001-787-952 0.69 OC(=O)CCCCC#N
MolPort-002-501-445 0.69 CC(C)C[C@H](N)CC(O)=O
MolPort-001-779-881 0.69 NCCCCCC(O)=O
MolPort-002-881-282 0.69 CCC(C)C(N)CC(O)=O
MolPort-046-672-148 0.69 COCCC12CC(C1)(C2)C(O)=O
MolPort-001-783-902 0.69 COC(=O)CCCCC(O)=O
MCULE-7645540270 0.69 COC(C1CC(C(O)=O)CCC1)=O
MCULE-2632444883 0.69 C12[C@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-3017627155 0.69 C1(CCCCC1)C(=O)CC(=O)OC
MCULE-6101792436 0.69 C12(CC3(C)CC(C)(CC(C3)(N)C1)C2)C(O)=O.[H]Cl
MCULE-1016300044 0.69 Cl.OC([C@@H]1CCC[C@@H](C1)N)=O
MCULE-5267597759 0.69 C(OC)(=O)C(O)C1CCCCC1
MCULE-7712529648 0.69 C(O)(=O)C(Br)C1CCCCC1
MCULE-5009823003 0.69 [H]Cl.[C@H]1(C(O)=O)CCC[C@H](N)C1
MCULE-7466205302 0.69 C12(S)CC3CC(CC(C3)(CC(O)=O)C1)C2
MCULE-2622744735 0.69 CC12CC3(F)CC(CC(C(O)=O)(C3)C1)(C)C2
MCULE-2876144776 0.69 C12(CCC(C(C)(C)C1=C)C2)C(O)=O
MCULE-1388612667 0.69 Cl.O=C(O)[C@@H]1CC[C@H](N)CC1
MCULE-8477095327 0.69 O=C(C(=O)C1CCCCC1)OC
MCULE-4431696177 0.69 CC(C1C2CC(CC2)C1)C(C(O)=O)N
MCULE-5144089499 0.69 OC(C1(C2CC(CC2)C1)CC#N)=O
MCULE-6407626985 0.69 C1C2CC3(C(=O)O)CC1CC(C3Cl)C2
MCULE-5563204448 0.69 [H]Cl.[C@H]1(C(O)=O)CCC[C@@H](N)C1
MCULE-8908266208 0.69 C12(CCC(CC1)C2(C)C)CC(N)C(O)=O
MCULE-7312981015 0.69 C(OC)(C1(O)CCCCC1)=O
MCULE-9204788308 0.69 C12C(C)(CCCC1(C)CCC(C2)C(=C)C(O)=O)O
MCULE-3075749953 0.69 C1C2CC3(C(=O)O)CC1CC(C3Br)C2
MCULE-8763282524 0.69 OC([C@@]12CC[C@@]3(C(O)=O)CCC(C(C)=C)C3[C@@]1([H])CCC1[C@@]2(C)CCC2[C@@]1(CC[C@H](O)C2(C)C)C)=O
MCULE-3555748677 0.69 C1CC(C(N)C(=O)O)CCC1O
MCULE-3398256735 0.69 OC(CC1CC(F)(F)CCC1)=O
MCULE-7368570830 0.69 CC(C1(C(O)=O)C2CC(CC2)C1)C#N
MCULE-4338987738 0.69 O=C(OC)C1CCC(C)(C)CC1=O
MCULE-6598467920 0.69 O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C(OC)=O)=O
MCULE-3141762073 0.69 [C@@H]1(C(O)=O)CCC[C@@H](N)C1.[H]Cl
MCULE-8471750075 0.69 NC1(CCC2(CC2)CC1)CC(O)=O
MCULE-4458318113 0.69 CCC1(C(=O)O)CCC(F)(F)CC1
MCULE-7531952837 0.69 COC(C1CC(O)CCC1)=O
MCULE-8024112039 0.69 Cl.NCC1(C(O)=O)C2CCC(CC2)C1
MCULE-4443789900 0.69 CC1(C2CC(CC2)(C)C1C(C(O)=O)N)C
MCULE-7775188579 0.69 OC(CC12CC3CC(C1)(CC(C3)C2)Cl)=O
MCULE-4319427087 0.69 NC1(C(O)=O)CCC2(CC2)CC1
MCULE-1508592374 0.69 Cl.C12(CC3CC(CC(C3)(N)C1)C2)C(O)=O
MCULE-8596503837 0.69 C12(C)CCC(CC1C(N)C(O)=O)C2(C)C
MCULE-8675761077 0.69 [C@]12([H])[C@@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-6543638284 0.69 NC1C2(C(O)=O)CC(CC2)C1
MCULE-7233908925 0.69 OC(C1(C2C(C#N)CCCC2)CCC1)=O
MCULE-5348381537 0.69 NCC1(C2CC(CC2)C1)CC(O)=O
MCULE-8694907254 0.69 [C@@H]1(C(O)=O)CCC[C@H](C(OC)=O)C1
MCULE-9807981702 0.69 CC1CC(OCCCCCC(O)=O)CCC1
MCULE-3088249896 0.69 Cl.[C@@H]1(C(=O)O)CCCC[C@H]1N
MCULE-4358360073 0.69 OC(C(C#N)CC1C2CC(CC2)C1)=O
MCULE-3326410223 0.69 [H]Cl.[C@@H]1(C(O)=O)CCC[C@H](N)C1
MCULE-4537536782 0.69 C1C(O)(C(OC)=O)CCCC1C
MCULE-4526571031 0.69 C12(C)CCC(CC1=O)C2(C)CC(OC)=O
MCULE-9224621854 0.69 [C@@H]1(C(=O)OC)C[C@@H](C[C@H](C(=O)OC)C1)C(=O)OC
MCULE-1591494554 0.69 COC1(C(O)=O)CCCCC1
MCULE-4182573966 0.69 CC12CC3CC(C(O)=O)(C1)CC(C3)(C2)Br
MCULE-5663270416 0.69 C12(CC3CC(CC(C3)C1)C2)C(Br)C(O)=O
MCULE-4736252154 0.69 NC1C(C(O)=O)CCCC1.Cl
MCULE-2644000632 0.69 Cl.CC1(C(C(O)=O)N)CCCCC1
MCULE-4326233018 0.69 COC(C1CC(=O)CCC1)=O
MCULE-9709667505 0.69 O=C1CCC(C)(C)CC1C(=O)OC
MCULE-8879171024 0.69 Cl.CC(C1CCC(C(O)=O)(N)CC1)(C)C
MCULE-1925624901 0.69 NC(C(O)=O)C1C(C2CC2)CCCC1
MCULE-6890725968 0.69 C12(CC3CC(C1)CC(C3)(C(N)C(O)=O)C2)C(N)C(O)=O
MCULE-8791323640 0.69 C12(CCC(CC1)C2)CC(N)C(O)=O
MCULE-1716352317 0.69 COC(C(O)=O)C1CCCCC1
MCULE-5949193985 0.69 Cl.C12(C(N)CCC(O)=O)CC3CC(CC(C3)C1)C2
MCULE-2530273033 0.69 C12(CCC(C(O)C1)(C)C2(C)C)CC(OC)=O
MCULE-2826570915 0.69 COC([C@H]1C[C@@H](O)CCC1)=O
MCULE-1938643211 0.69 CCC(C1(C(O)=O)C2CC(CC2)C1)C#N
MCULE-3668428710 0.69 C12CC(CC1C(O)=O)CC2N
MCULE-2275715129 0.69 C12(C)CCC3(C(C(C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-3922315276 0.69 OC(C1C2(CCC(F)(F)CC2)C1)=O
MCULE-7331104051 0.69 C1(C(C)C)(CCC(CC1)(F)F)C(O)=O
MCULE-6348258262 0.69 C12(C(O)=O)CC3(C)CC(C)(CC(Br)(C3)C1)C2
MCULE-1248384499 0.69 C(O)(=O)C1(CCCCC1)[NH3+].[Cl-]
MCULE-4819149844 0.69 C1(CCCCC1)(C=O)C(OC)=O
MCULE-4344993975 0.69 [C@@H]1(C(OC)=O)CCC[C@H](C(O)=O)C1
MCULE-2352492137 0.69 NC1C2CC(CC2)C1C(O)=O
MCULE-2871457061 0.69 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@@H]1O)(C)C)C(O)=O
MCULE-9131743898 0.69 [C@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C(=O)C1)(C)[C@@H]([C@H](C)CCC(OC)=O)CC3)C(=O)C2
MCULE-1965981989 0.69 C1(CO)(C(OC)=O)CCCCC1
MCULE-8088488635 0.69 C(O)(CCC(C(C)C)N)=O
MCULE-6274447452 0.69 CC(CCC(O)=O)(CCN)C
MCULE-6613825341 0.69 C(C(C)CCC(C)C(OC)=O)(OC)=O
MCULE-7605375228 0.69 C(C)(C)(CC(C)(C)CC(O)=O)C(OC)=O
MCULE-9333248536 0.69 C(C)(C)(CC(C)(C)CC(OC)=O)C(OC)=O
MCULE-4774379454 0.69 C(C)(C)(CCC(OC)=O)C(C)(C)C
MCULE-1254908394 0.69 C(O)(CC(C)(C)CC(C)(C)CN)=O
MCULE-7793817466 0.69 C(C)(C)(CC(C)(C)CC(OC)=O)C(O)=O
MCULE-1906257031 0.69 CC(C[C@H](CC(=O)O)N)C
MCULE-3116763773 0.69 C(O)(CCC(CC)N)=O
MCULE-1726586898 0.69 CCC[C@@H](CC(=O)O)N
MCULE-5376993895 0.69 [C@@H](C(=O)O)(CC(=O)O)[C@@H](C(=O)O)CC(=O)O
MCULE-5828767633 0.69 C(CCCCC(O)=O)#C
MCULE-6405405706 0.69 COC(CCCCCO)=O
MCULE-4180511270 0.69 C(C)(C)(C(O)=O)C(CCC(O)=O)C(O)=O
MCULE-2741994268 0.69 C(O)(=O)C(CCC(O)=O)CC(O)=O
MCULE-3640363033 0.69 C(CN)CCCC(O)=O
MCULE-6721085396 0.69 C(O)(=O)CCCCCON
MCULE-1258211586 0.69 C(CCCC(C)C(OC)=O)(OC)=O
MCULE-8474644246 0.69 CC(CC(CC(O)=O)N)(C)C
MCULE-6810055406 0.69 C(OC)(=O)CCCCC=O
MCULE-6522397846 0.69 C(C(C)C)[C@H](N)CC(=O)O
MCULE-9959180111 0.69 C(O)(=O)CC(CCC)N
MCULE-7588873691 0.69 CCC[C@@H](CC(=O)O)N
MCULE-3497593262 0.69 N[C@@H]([C@@H](CC)C)CC(O)=O
MCULE-5676550364 0.69 C(C(C)C)[C@@H](N)CC(=O)O
MCULE-9731178196 0.69 C(C(C(C)CC)N)C(O)=O
MCULE-2319280225 0.69 C(C)(C)(CCC(C)(C)C(=O)OC)C(=O)OC
MCULE-2563066834 0.69 C(C(C(CC)CC)N)C(O)=O
MCULE-2317616388 0.69 C(CCCCC)(OC)=O
MCULE-2104484744 0.69 COC(CCCCC(O)=O)=O
MCULE-5602246196 0.69 CC(C[C@@H](CC(=O)O)N)C
MCULE-8626763501 0.69 C(C(=O)O)C(C(=O)O)C(C(=O)O)CC(=O)O
MCULE-7754086126 0.69 C(O)(=O)C1CC(C1)CCOC
MCULE-9961668094 0.69 C(O)(=O)C[C@H](N)CCC
MCULE-2088809384 0.69 C(CCCCC(OC)=O)(OC)=O
MCULE-4155901879 0.69 N[C@@H]([C@H](C)CC)CC(=O)O
MCULE-9647386489 0.69 N[C@H]([C@@H](C)CC)CC(=O)O
MCULE-4917004131 0.69 C(C(CC(C)C)N)C(O)=O
MCULE-8064272681 0.69 Cl.O=C(O)C12CC3CC(C(C(C3)C1)N)C2
MCULE-5410031762 0.69 OC(C1(CCCCC1)CC1(C#N)CC1)=O
MCULE-8236590198 0.69 COC1(CCCCC1)CC(O)=O
MCULE-3164577890 0.69 CC1(C2(CCC(F)(F)CC2)C1C(O)=O)C
MCULE-6375095446 0.69 OC(CC12CC3CC(CC(O)=O)(C1)CC(C3)(C2)Br)=O
MCULE-9756440689 0.69 C12(CC3CC(CC(C3)(Br)C1)C2)CC(O)=O
MCULE-7737163430 0.69 BrC12CC3(CC(CC)(C1)CC(C3)C2)C(O)=O
MCULE-6566089811 0.69 C(O)(=O)C1(CCCCC1)F
MCULE-1686926617 0.69 C(O)(CC12CC3(C(C(O)=O)Cl)CC(C)(C1)CC(C)(C3)C2)=O
MCULE-8307000365 0.69 CC1(C2C(C(C(O)=O)N)CCC1C2)C
MCULE-4087120684 0.69 O=C(O)[C@@H]1CCC[C@H](OC)C1
MCULE-2539251802 0.69 C1C[C@@](C(O)=O)(C[C@](N)(C1)[H])[H].Cl
MCULE-4046553772 0.69 ClC(C12CC3CC(C)(C1)CC(C)(C3)C2)C(O)=O
MCULE-4517505578 0.69 C1(N)(CC2(C1)CCCCC2)C(O)=O
MCULE-1592085794 0.69 C1(CCCCC1=O)(C)C(OC)=O
MCULE-6363651635 0.69 NCC(C1CCCCC1)CC(O)=O.Cl
MCULE-2415668402 0.69 OC(C12CC3CC(C1)(CC(C3)C2)Br)=O
MCULE-5765351696 0.69 C12C3C4CC1C1C2(C(OC)=O)C3C41
MCULE-1333932849 0.69 COC(C12CC3CC(C1)(CC(C3)C2)O)=O
MCULE-3600159857 0.69 Cl.NCC(C(O)=O)C1C2CC3CC(C2)CC1C3
MCULE-2142620129 0.69 NC1(C(O)=O)C(C2CC2)CCCC1
MCULE-4519166044 0.69 NC(C(O)=O)C1CC(C2CC2)CCC1
MCULE-6544983775 0.69 C(O)(C12CC3(C)CC(CBr)(C1)CC(C2)C3)=O
MCULE-9741053071 0.69 COC(C1CC(C(OC)=O)CCC1)=O
MCULE-5703277252 0.69 N[C@H]1[C@H]2C[C@H](CC2)[C@H]1C(O)=O
MCULE-3420115669 0.69 N[C@H]1[C@H]2C[C@H](CC2)[C@@H]1C(O)=O
MCULE-9939808137 0.69 NC1(C2(CCCCC2)CC1)CC(O)=O
MCULE-3786097944 0.69 N[C@@]1(C(O)=O)[C@H]2C[C@H](CC2)C1
MCULE-5776301031 0.69 [H]Cl.[C@@H]1(C(O)=O)CCCC[C@@H]1N
MCULE-2895262716 0.69 OC(C12CC3(CC(CC(C3)C1)C2)F)=O
MCULE-9938371951 0.69 [C@H]1(C(OC)=O)CCC[C@@H](O)C1
MCULE-9172453010 0.69 C(O)(=O)C1(CCCCC1)Cl
MCULE-1685605876 0.69 C12C3CC4C1C2(C(OC)=O)C1C4C13
MCULE-8805311720 0.69 NC(C(O)=O)C1C2CC(CC2)C1
MCULE-2750752554 0.69 OC(C1CC(C(F)(F)F)CCC1)=O
MCULE-3136845842 0.69 C12CC(CC1C(OC)=O)C(=O)C2
MCULE-9682060539 0.69 C1(CN)(CC2CC1CC2)C(O)=O
MCULE-1790255868 0.69 OC(C(CC1C2CCC(CC2)C1)F)=O
MCULE-5275681878 0.69 [C@@H]1(C(OC)=O)CCC[C@H](O)C1
MCULE-2766102959 0.69 [H]Cl.C(O)(=O)C(N)CC12CC3CC(CC(C3)C1)C2
MCULE-2805523802 0.69 C12CC(C(CC1C(OC)=O)C2)O
MCULE-3215642186 0.69 CC(C(O)=O)(C1C2CC(CC2)C1)N
MCULE-8434154304 0.69 C(O)(CC12CC3(C(C(O)=O)Cl)CC(C1)CC(C)(C3)C2)=O
MCULE-9216762478 0.69 C1(N)(CC2CC1CC2)C(O)=O
MCULE-6698336499 0.69 Cl.C1CCCCC1[C@@H](N)C(=O)O
MCULE-3352198477 0.69 NCC1(C2(CCCCC2)CC1)CC(O)=O
MCULE-7944829065 0.69 NC1(CCCCC1)CCC(O)=O.Cl
MCULE-7450783252 0.69 [C@@H]12C[C@@H](C[C@@H](C(O)=O)[C@]1(N)C)C2(C)C
MCULE-8802142768 0.69 NC(C(O)=O)C1C2(CCCC2)CCCC1
MCULE-6628921139 0.69 [C@H]12C[C@H](C[C@H](C(O)=O)[C@@]1(N)C)C2(C)C
MCULE-5764696724 0.69 C(O)(=O)C1(CCCCC1)N.Br
MCULE-3693940620 0.69 C1(C)(C)[C@@H]2C[C@@H](CC2)[C@]1(CC(O)=O)N
MCULE-6090959665 0.69 NC(C(O)=O)C1C2(CCCCC2)CCC1
MCULE-1642247111 0.69 COC(C(CCCC1CCCCC1)O)=O
MCULE-8950368962 0.69 [C@H]12C[C@H](CC[C@]1(N)CC(O)=O)C2(C)C
MCULE-1258985151 0.69 Cl.CC1CC(C(CC(O)=O)CN)CCC1
MCULE-4136205216 0.69 NC(C(O)=O)C1C2(CCCCC2)CC1
MCULE-6179282221 0.69 NC(C(O)=O)C1CCC2(CCCC2)CC1
MCULE-5634464260 0.69 NC(C(O)=O)C1CCC(C2CCC2)CC1
MCULE-8384759902 0.69 C(C(O)=O)(CC1CC(CC(=S)C(O)=O)CCC1)=S
MCULE-1172488566 0.69 C12(C)CCC(CC1(N)C(O)=O)C2(C)C
MCULE-4169168357 0.69 C12(Cl)CC3CC(C1)(C(=O)O)CC(C3)C2
MCULE-3093019595 0.69 OC(C1(C2C(C#N)CCCC2)CC1)=O
MCULE-9858528992 0.69 O=C([C@H](C1CCCCC1)N)O.Cl
MCULE-6575005565 0.69 NCC1(CCC2(CC2)CC1)CC(O)=O
MCULE-2125200193 0.69 [C@@]12(C)CC[C@]3([C@]([H])([C@H](C(C)=C)CC3)[C@@]1([H])CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CC[C@@]21C)C)C(O)=O
MCULE-8787998402 0.69 C12(CC3CC(CC(C3)(CBr)C1)C2)C(O)=O
MCULE-5368790248 0.69 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-5757672857 0.69 CC(C1(CCC2(CC2)CC1)CC(O)=O)N
MCULE-5589267581 0.69 C1CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1O
MCULE-7169659228 0.69 C1(N)(CCC(CC1)CN)C(O)=O
MCULE-2085058650 0.69 COC(C(O)=O)C1C2CCC(CC2)C1
MCULE-4349966830 0.69 C1CC(C(=O)OC)C(CC1)=O
MCULE-2536809252 0.69 COC(CC1C(=O)CCCC1)=O
MCULE-3066570238 0.69 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-4671527520 0.69 Cl.N[C@H]1[C@@H](CC(O)=O)CCCC1
MCULE-7909003566 0.69 COC(C1(CCCCCCCC)CCCCC1=O)=O
MCULE-9982252588 0.69 O=C(O)[C@]12[C@]([C@]3(CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])[H])([H])[C@H](C(=C)C)CC2
MCULE-5282665037 0.69 C(O)(=O)[C@@H]1CC[C@H](CC1)N.Cl
MCULE-1703921155 0.69 C12(C)CCC(=O)C(Br)C1CCC1C3C(C)(CCC21)C(C(C)CCC(O)=O)CC3
MCULE-7728185081 0.69 NC(C(O)=O)C1CCC2(CC2)CC1
MCULE-5625433366 0.69 C(OC)(C1CCCCC1O)=O
MCULE-9074945680 0.69 C12CC(C(CC1C(O)=O)C2)N
MCULE-3370817462 0.69 [C@H]1(CCC[C@H](N)C1)C(O)=O.Cl
MCULE-3818815302 0.69 C12C3C(C(OC)=O)C4C(C4C13)C2C(OC)=O
MCULE-1790728170 0.69 N[C@H]1[C@@H](C(O)=O)CCCC1.Cl
MCULE-9026826219 0.69 C1C(C(OC)=O)C(CCC1)CO
MCULE-4046777170 0.69 Cl[H].C12(CC3CC(CC(C3)(N)C1)C2)CC(O)=O
MCULE-1933038118 0.69 [H]Cl.O=C([C@H](C1CCCCC1)N)O
MCULE-5633617017 0.69 C12(CC3CC(CC(C3)(S)C1)C2)C(O)=O
MCULE-9152559049 0.69 OC([C@@]1(C[C@@H]2CC[C@H]1C2)N)=O
MCULE-8322152301 0.69 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(C)(C)C(=O)CC2)CC3)=C
MCULE-1422862573 0.69 CCOC1CCC2(C(C(O)=O)C2)CC1
MCULE-8182956115 0.69 C1(N)(C(O)=O)CC21CCCCC2
MCULE-9205261394 0.69 CC1CC(C2(C(O)=O)CC2)C(C#N)CC1
MCULE-3087618477 0.69 NC1(C(O)=O)C2(CCCCC2)CC1
MCULE-1527222921 0.69 C1(F)(F)CCC(CC1)C(O)=O
MCULE-6548646511 0.69 C1C2CC3(CC1CC(C(=O)O)(C3)C2)C(=O)OC
MCULE-2062445113 0.69 C1(CC2C(CC(CC2)(F)F)C1)C(O)=O
MCULE-6071948878 0.69 C1C2CC3(CC1CC(C(=O)O)(C3)C2)C(F)(F)F
MCULE-3002299478 0.69 C12(CCC(C(=O)C1=O)(C)C2(C)C)C(=O)[O-].[Na+]
MCULE-6137073094 0.69 Cl.NC(C12CC3CC(CC(C3)C1)C2)CC(O)=O
MCULE-6249137013 0.69 Cl.CC1(C(C(O)=O)CCCC1)N
MCULE-2416228483 0.69 Cl.[H][C@](C(=O)O)(C1CCCCC1)N
MCULE-6019948868 0.69 COC1C(C(O)=O)CCCC1
MCULE-4487348024 0.69 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-]
MCULE-5456384162 0.69 COC1CC(C(O)=O)CCC1
MCULE-1663310557 0.69 Cl.NC1(CCCCC1)CC(O)=O
MCULE-2344654148 0.69 NC1(C(C2CC2)CCCC1)CC(O)=O
MCULE-1312664174 0.69 OC(C1(C2CC(CC2)C1)CCC#N)=O
MCULE-9604201710 0.69 OC(C(CC1C2CCC(CC2)C1)S)=O
MCULE-4071359359 0.69 Cl.C(O)(CC1(CCCCC1)CN)=O
MCULE-6857277178 0.69 Cl.C(C1(CCC(CC1)C)N)C(O)=O
MCULE-7843281522 0.69 C12C(=O)CCC(CC(C(OC)=O)C1)C2=O
MCULE-5097841519 0.69 C1(=O)C([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
MCULE-3240845890 0.69 C1C[C@@]2(C)[C@@](C[C@H](C(C(=O)O)=C)CC2)([C@@](C1)(O)C)[H]
MCULE-3524678284 0.69 C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)CC2C([C@@H]1O)=C)C
MCULE-9794937643 0.69 C1(C)(CCC(CC1(C)C)Br)C(O)=O
MCULE-2467258986 0.69 CC(C1(C(O)=O)C2CC(CC2)C1)CC#N
MCULE-4355093715 0.69 C12(CCC(CC1)(C)C2(C)C)CC(N)C(O)=O
MCULE-1165595049 0.69 Cl.C(O)(=O)[C@H]1CCCC[C@H]1CN
MCULE-6538296828 0.69 Cl.NC1C(CCC(O)=O)CCCC1
MCULE-1228625082 0.69 Cl.CC1(CCC(C(O)=O)(N)CC1)C
MCULE-3972152938 0.69 ClC(C12CC3(C)CC(C)(C1)CC(C)(C3)C2)C(O)=O
MCULE-8459381669 0.69 C1(CCC(OC)=O)(CCC(OC)=O)C(=O)CC(CC1=O)(C)C
MCULE-1721494845 0.69 CC(C#N)CC1(C(O)=O)C2CC(CC2)C1
MCULE-8654540851 0.69 O[C@H]1[C@H]2C[C@](C([O-])=O)(CC2)[C@H]1O.[Na+]
MCULE-8670853596 0.69 C12(CCC(C(=O)C1)(C)C2(C)C)CC(OC)=O
MCULE-4703500884 0.69 C(O)(=O)CC1CCCCC1OC
MCULE-8105249419 0.69 O=C(O)[C@H]1CCC[C@@H](N)C1.Cl
MCULE-8692017992 0.69 C12CC(C(CC1C(O)=O)C2)F
MCULE-8559576712 0.69 Br.C12(CC3CC(CC(C3)(N)C1)C2)CC(O)=O
MCULE-2645618623 0.69 [H]Cl.C(O)(=O)[C@@H](N)CC1CCCCC1
MCULE-6865831162 0.69 Cl.NC(C(O)=O)C1CCCCC1
MCULE-7244018305 0.69 [H]Cl.C12(CC3CC(CC(C3)(CN)C1)C2)C(O)=O
MCULE-2775695564 0.69 Cl.C12(CC3CC(CC(C3)C1)C2)C(N)C(O)=O
MCULE-9807223126 0.69 NC1(C(O)=O)CC2(CCC2)CCC1
MolPort-044-586-725 0.69 Cl.NC1(CCC(O)=O)CCCCC1
MolPort-044-558-945 0.69 OC(=O)C12CCC(F)(CC1)CCC2
MolPort-022-382-964 0.69 OC(=O)C1(Br)CCCCC1
MolPort-044-558-802 0.69 OC(=O)C12CC(C1)(CCC2)C#N
MolPort-044-558-798 0.69 COC(=O)C12CC(CO)(C1)CCC2
MolPort-029-511-519 0.69 OC(=O)C1(CCl)CCCCC1
MolPort-022-657-553 0.69 COC1CCCCC1C(O)=O
MolPort-022-856-765 0.69 COCC1(CCCCC1)C(O)=O
MolPort-044-422-181 0.69 Cl.CC1CCCC(C1)C(CN)CC(O)=O
MolPort-029-607-245 0.69 COC(=O)C(=O)C1CCCCC1
MolPort-044-202-613 0.69 Cl.CC1CCC(CC1)C(CN)CC(O)=O
MolPort-044-198-584 0.69 Cl.NCC(CC(O)=O)C1CCCCC1
MolPort-044-198-409 0.69 Cl.N[C@H](CC(O)=O)C1CCCCC1
MolPort-029-671-883 0.69 COC(C1CCCCC1)C(O)=O
MolPort-029-701-926 0.69 COC(=O)C12CCC(CO)(CC1)C2
MolPort-029-701-928 0.69 OC(=O)C12CCC(CF)(CC1)C2
MolPort-029-135-142 0.69 CC1(CCC(F)(F)CC1)C(O)=O
MolPort-035-770-704 0.69 COC(=O)C1CCC(C)(C)CC1=O
MolPort-029-881-028 0.69 OC(=O)CC1CCCC(F)(F)C1
MolPort-023-330-960 0.69 COC(=O)CC(=O)C1CCCCC1
MolPort-046-195-874 0.69 COC(=O)C1CCCC(C1)C([O-])=O
MolPort-046-158-394 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)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12
MolPort-046-156-598 0.69 COC(=O)[C@@H]1CCC[C@H](O)C1
MolPort-028-936-114 0.69 Cl.C[C@@](N)(C1CCCCC1)C(O)=O
MolPort-046-149-080 0.69 Cl.N[C@@H](CC(O)=O)C1CCCCC1
MolPort-046-148-111 0.69 Cl.N[C@@H](CC1CCCCC1)CC(O)=O
MolPort-028-950-049 0.69 Cl.CC1(CCCCC1)C(N)C(O)=O
MolPort-028-950-677 0.69 Cl.NC(CC(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-046-068-710 0.69 OC(=O)C12CC3C[C@@H](CC(Br)(C3)C1)C2
MolPort-046-068-702 0.69 OC(=O)[C@@]12CC3CC(CC(Cl)(C3)C1)C2
MolPort-046-025-113 0.69 Cl.N[C@H](CC1CCCCC1)CC(O)=O
MolPort-045-971-822 0.69 OC(=O)[C@H]1CC[C@@]2(CC2(F)F)CC1
MolPort-028-961-187 0.69 COC(=O)[C@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2
MolPort-044-878-178 0.69 N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(O)=O
MolPort-044-875-724 0.69 OC(=O)C12C3C4C1C1C2C3C41F
MolPort-029-010-005 0.69 COC1(CC(O)=O)CCCCC1
MolPort-044-832-185 0.69 N[C@@]1(C[C@@H]2CC[C@H]1C2)C(O)=O
MolPort-029-702-795 0.69 OC(=O)CC1CCCCC1F
MolPort-042-683-288 0.69 Cl.N[C@@H]1CCCC[C@@H]1CC(O)=O
MolPort-028-914-178 0.69 Cl.CC1CCC(N)(CC(O)=O)CC1
MolPort-038-949-086 0.69 CCCOC1CCC(CC(O)=O)CC1
MolPort-023-221-571 0.69 COC(=O)CC1(CC(O)=O)CCCCC1
MolPort-035-769-689 0.69 CC(C)CC1(CCC(F)(F)CC1)C(O)=O
MolPort-035-769-761 0.69 CCC1(CCC(F)(F)CC1)C(O)=O
MolPort-038-387-480 0.69 Cl.C[C@]1(N)CCCC[C@H]1C(O)=O
MolPort-038-387-356 0.69 N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(O)=O.N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(O)=O
MolPort-038-387-333 0.69 CC1(C)[C@@H]2C[C@H]1[C@@](N)(CC(O)=O)CC2
MolPort-023-276-984 0.69 CC(=C)[C@@H]1CC[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)[C@@H]12)C(O)=O
MolPort-038-387-331 0.69 CC1(C)[C@@H]2C[C@H]1[C@@](C)(N)[C@H](C2)C(O)=O
MolPort-037-982-645 0.69 OC(=O)C1CCC2(CC2(F)F)CC1
MolPort-036-381-361 0.69 Cl.NC(CC(O)=O)C1CCCCC1
MolPort-035-944-983 0.69 Cl.NC[C@@H]1CCCC[C@@H]1C(O)=O
MolPort-035-943-062 0.69 Cl.NC(CC12CC3CC(CC(C3)C1)C2)C(O)=O
MolPort-035-942-831 0.69 Cl.N[C@H]1CCC[C@H](C1)C(O)=O
MolPort-035-868-964 0.69 Cl.NC1(C2CC3CC(C2)CC1C3)C(O)=O
MolPort-035-789-229 0.69 Cl.CC1(C)CCC(N)(CC1)C(O)=O
MolPort-035-782-498 0.69 OC(=O)C1CC11CCC(F)(F)CC1
MolPort-035-782-313 0.69 COC(=O)[C@H]1CCC[C@@H](C1)C(O)=O
MolPort-038-948-861 0.69 CCCOCC1CCC(CC(O)=O)CC1
MolPort-039-009-641 0.69 COC(=O)C1(C)CCCCC1=O
MolPort-042-683-202 0.69 OC(=O)C12CCC(CC1)(C2)C#N
MolPort-039-014-624 0.69 Cl.N[C@H]1CCC[C@@H](C1)C(O)=O
MolPort-042-661-828 0.69 COC(=O)C1CC2CC1CC2=O
MolPort-023-134-935 0.69 Cl.NC1CCCCC1C(O)=O
MolPort-042-624-120 0.69 CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-029-945-669 0.69 COC(=O)[C@@H]1CCC[C@@H](C1)C(O)=O
MolPort-023-164-123 0.69 OC(=O)C12CC3CC(C1)CC(C3)(C2)C(F)(F)F
MolPort-030-005-035 0.69 Cl.NC(CC1CCCCC1)C(O)=O
MolPort-039-338-044 0.69 CCCCCCCCC1(CCCCC1=O)C(=O)OC
MolPort-031-980-355 0.69 OC(=O)C1(CC2CCC1C2)C#N
MolPort-039-240-156 0.69 COC(=O)C(O)CCCC1CCCCC1
MolPort-023-213-667 0.69 COC(=O)[C@H]1CCCC[C@@H]1CO
MolPort-039-239-890 0.69 Cl.NCCC1(CC(O)=O)CCCCC1
MolPort-035-706-217 0.69 C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(O)=O
MolPort-039-063-508 0.69 Cl.N[C@@H]1CCC[C@@H](C1)C(O)=O
MolPort-039-060-857 0.69 Cl.NC1CCCCC1CCC(O)=O
MolPort-035-706-378 0.69 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-035-718-764 0.69 OC(=O)C12CC3CC(CC(C3)C1Br)C2
MolPort-039-033-337 0.69 CC(=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)C12)C(O)=O
MolPort-046-196-980 0.69 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-022-369-649 0.69 OC(=O)C1CCC(Cl)CC1
MolPort-046-426-986 0.69 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-046-673-083 0.69 NC(C(O)=O)C12CC(C1)(C2)C1CCCCC1
MolPort-046-682-148 0.69 COC(=O)[C@@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2
MolPort-021-783-102 0.69 Cl.N[C@H](C1CCCCC1)C(O)=O
MolPort-046-684-057 0.69 Cl.N[C@H]1CCCC[C@@H]1C(O)=O
MolPort-021-225-214 0.69 COC(=O)C1(O)CCCC(C)(C)C1
MolPort-046-684-354 0.69 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
MolPort-021-804-489 0.69 CC12CCC(O)C(=C)C1CC(CC2)C(=C)C(O)=O
MolPort-021-073-118 0.69 CC1CCCC(C1)OCCCCCC(O)=O
MolPort-027-845-399 0.69 Cl.CC1(CCCCC1N)C(O)=O
MolPort-046-419-857 0.69 Cl.NCC1(CC2CCC1CC2)C(O)=O
MolPort-046-700-325 0.69 Cl.NCCC1(CCCCC1)C(O)=O
MolPort-027-497-489 0.69 COC(=O)C(O)CC1CCCCC1
MolPort-046-764-591 0.69 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-027-685-533 0.69 Cl.CC1(N)CCCCC1C(O)=O
MolPort-023-332-601 0.69 Cl.NC12CCC(CC1)(CC2)C(O)=O
MolPort-046-767-199 0.69 [Na+].O[C@@H]1[C@H](O)[C@]2(CC[C@@H]1C2)C([O-])=O
MolPort-023-335-525 0.69 COC(=O)[C@H]1CCC[C@@H](C1)C(O)=O.COC(=O)[C@H]1CCC[C@H](C1)C(O)=O
MolPort-024-255-956 0.69 OC(=O)C(F)C1CCCCC1
MolPort-027-835-856 0.69 Cl.NC1C2CC3CC1CC(C3)(C2)C(O)=O
MolPort-021-997-403 0.69 OC(=O)C1CCCCC1F
MolPort-021-997-402 0.69 OC(=O)C1CCCC(F)C1
MolPort-046-653-609 0.69 COC(=O)C1CCC2(CO2)CC1
MolPort-046-773-979 0.69 Cl.NC1(CC(O)=O)C2CC3CC(C2)CC1C3
MolPort-026-972-491 0.69 OC(=O)C(F)CC1CCCCC1
MolPort-046-676-772 0.69 CC12CC3(C)CC(F)(C1)CC(C2)(C3)C(O)=O
MolPort-020-003-861 0.69 Cl.N[C@@H](C1CCCCC1)C(O)=O
MolPort-020-003-874 0.69 Cl.N[C@@H](CC1CCCCC1)C(O)=O
MolPort-000-001-001 0.69 Cl.NC1CCC(CC1)C(O)=O
MolPort-000-653-712 0.69 OC(=O)C12CC3CC(CC(CBr)(C3)C1)C2
MolPort-002-903-974 0.69 Cl.NC(C1CCCCC1)C(O)=O
MolPort-000-422-027 0.69 CC1(C)C2CCC(C2)(C([O-])=O)C1=C
MolPort-020-003-896 0.69 Cl.N[C@H](CC1CCCCC1)C(O)=O
MolPort-004-323-762 0.69 OC(=O)C1CCCC(C1)C(F)(F)F
MolPort-006-666-060 0.69 Cl.N[C@@H]1CCC[C@H](C1)C(O)=O
MolPort-000-421-911 0.69 CC1(C)C2CCC(C2)(C(O)=O)C1=C
MolPort-007-549-472 0.69 COC(=O)C12CC3CC(CC(O)(C3)C1)C2
MolPort-003-907-584 0.69 OC(=O)C12CC3CC(CC(F)(C3)C1)C2
MolPort-000-145-421 0.69 OC(=O)C12CC3CC(CC(Cl)(C3)C1)C2
MolPort-003-824-860 0.69 Cl.N[C@@H]1CCCC[C@@H]1C(O)=O
MolPort-000-145-420 0.69 OC(=O)C12CC3CC(CC(Br)(C3)C1)C2
MolPort-000-142-043 0.69 CC12CC3CC(Br)(C1)CC(C3)(C2)C(O)=O
MolPort-003-917-239 0.69 COC(=O)C1CCCCC1O
MolPort-000-692-444 0.69 OC(=O)CC12CC3CC(CC(Br)(C3)C1)C2
MolPort-003-939-809 0.69 Cl.NC1(CC(O)=O)CCCCC1
MolPort-003-939-279 0.69 CC(=C)[C@@H]1CC[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)[C@@H]12)C(O)=O
MolPort-006-131-915 0.69 Cl.NCC1(CC(O)=O)CCCCC1
MolPort-007-980-897 0.69 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-000-153-766 0.69 COC(=O)C(C1CCCCC1)C(C)=O
MolPort-006-170-418 0.69 N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(O)=O
MolPort-003-255-539 0.69 OC(=O)CC12CC3CC(Br)(C1)CC(CC(O)=O)(C3)C2
MolPort-000-160-191 0.69 OC(=O)C1CCC(F)(F)CC1
MolPort-020-129-048 0.69 COC(=O)C1CCCC(C1)C(=O)OC
MolPort-009-260-005 0.69 Cl.CC(C)(C)C1CCC(N)(CC1)C(O)=O
MolPort-004-001-053 0.69 COC(=O)C12CC3(C)CC(C)(C1)CC(C3)(C2)C(=O)OC
MolPort-005-936-622 0.69 COC(=O)CC1CCCCC1=O
MolPort-001-495-461 0.69 Cl.NC12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-000-719-307 0.69 [Na+].CC1(C)C2(C)CCC1(C([O-])=O)C(=O)C2=O
MolPort-002-499-405 0.69 Cl.N[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-005-313-701 0.69 Cl.NC1(CC2CCC1CC2)C(O)=O
MolPort-001-794-065 0.69 COC(=O)[C@H]1CCC[C@H](C1)C(O)=O
MolPort-001-816-971 0.69 CC12CC3(C)CC(Br)(C1)CC(C2)(C3)C(O)=O
MolPort-005-945-549 0.69 CC(=C)[C@@H]1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-003-928-121 0.69 NC1(CC2CCC1C2)C(O)=O
MolPort-001-901-168 0.69 OC(=O)CC12CC3CC(CC(S)(C3)C1)C2
MolPort-001-912-323 0.69 OC(=O)C(Br)C12CC3CC(CC(C3)C1)C2
MolPort-005-944-788 0.69 CC(=C)[C@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-001-944-265 0.69 OC(=O)C12CC3CC(CC(S)(C3)C1)C2
MolPort-001-947-511 0.69 OC(=O)C12CCCC(Br)(CCC1)C2
MolPort-002-021-525 0.69 OC(=O)CC12CC3CC(CC(Cl)(C3)C1)C2
MolPort-001-790-914 0.69 COC1CCCC(C1)C(O)=O
MolPort-005-944-694 0.69 CC(=C)C1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-002-054-107 0.69 Cl.C[C@@]1(N)CCCC[C@@H]1C(O)=O
MolPort-002-486-953 0.69 COC12CCCC(CCC1)(C2)C(O)=O
MolPort-002-486-952 0.69 COC(=O)C12CCCC(CCC1)(C2)C(O)=O
MolPort-002-486-951 0.69 CCC12CC3CC(Br)(C1)CC(C3)(C2)C(O)=O
MolPort-005-939-269 0.69 COC(=O)C1CCCC(=O)C1
MolPort-002-253-905 0.69 Cl.NC(CCC(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-002-319-291 0.69 COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC
MolPort-002-485-357 0.69 OC(=O)C12CCC(Br)(CC1)CC2
MolPort-019-877-937 0.69 OC(=O)[C@]12C[C@H]3C[C@H](C[C@](Br)(C3)C1)C2
MolPort-005-958-718 0.69 OC(=O)C1(Cl)CCCCC1
MolPort-001-788-380 0.69 COC(=O)C1CCCCC1=O
MolPort-019-997-682 0.69 CC(=C)[C@@H]1CC[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)[C@@H]12)C(O)=O
MolPort-016-581-619 0.69 Cl.N[C@H]1CC[C@H](CC1)C(O)=O
MolPort-000-720-237 0.69 [Cl-].[NH3+]C1(CCCCC1)C(O)=O
MolPort-000-734-331 0.69 Cl.NC12CC3CC(C1)CC(CC(O)=O)(C3)C2
MolPort-002-800-295 0.69 CC1(C)CC(Br)CCC1(C)C(O)=O
MolPort-002-708-873 0.69 COC(=O)CCC1(CCC(=O)OC)C(=O)CC(C)(C)CC1=O
MolPort-012-844-136 0.69 COC1(CCCCC1)C(O)=O
MolPort-004-769-487 0.69 CC1CCC(F)(CC1)C(O)=O
MolPort-002-539-770 0.69 NC(C(O)=O)C12CC3CC(C1)CC(C3)(C2)C(N)C(O)=O
MolPort-001-740-747 0.69 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O
MolPort-001-740-814 0.69 C[C@]12CC[C@@H](O)C(=C)C1C[C@@H](CC2)C(=C)C(O)=O
MolPort-001-740-815 0.69 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O
MolPort-001-742-037 0.69 CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-001-773-083 0.69 OC(=O)C1(F)CCCCC1
MolPort-002-524-807 0.69 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-002-522-661 0.69 COC(=O)[C@]12CC[C@H](C1[C@H]1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=O
MolPort-002-512-343 0.69 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-001-762-619 0.69 CC12CC3CC(CBr)(C1)CC(C3)(C2)C(O)=O
MolPort-004-946-882 0.69 Cl.NC1(CCCCC1)C(O)=O
MolPort-001-762-620 0.69 OC(=O)C(Br)CC12CC3CC(CC(C3)C1)C2
MolPort-001-762-621 0.69 OC(=O)C12CCCC(CBr)(CCC1)C2
MolPort-019-906-272 0.69 COC(=O)C1CCCC(O)C1
MolPort-016-633-899 0.69 COC(=O)C1CCCC(C1)C(O)=O
MolPort-004-963-552 0.69 Cl.N[C@H]1CCCC[C@H]1C(O)=O
MolPort-002-929-501 0.69 C[C@]1(O)CCC[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-046-793-204 0.69 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
MolPort-025-749-599 0.69 COC(=O)C1CC(CCC1=O)C(C)C
MolPort-022-371-370 0.69 COC(=O)C1(CCCCC1)C=O
MolPort-044-730-186 0.69 Cl.NCC(C1C2CC3CC(C2)CC1C3)C(O)=O
MolPort-006-111-429 0.68 CCC(C)C(O)C(O)=O
MolPort-000-871-621 0.68 CC(=O)CCC(O)=O
MolPort-014-557-353 0.68 CC(C)CC(C)(O)C(O)=O
MolPort-000-557-713 0.68 CCCC(O)C(O)=O
MolPort-014-557-450 0.68 CCCC(C)(O)C(O)=O
MolPort-042-683-374 0.68 CCC(C)(C)C(O)C(O)=O
MolPort-006-169-956 0.68 OCCCCC(O)=O
MolPort-011-551-463 0.68 CCC(O)C(C)C(O)=O
MolPort-011-284-700 0.68 CC(CC(O)=O)C(C)=O
MolPort-046-690-731 0.68 [13CH3][13C](=O)[13CH2]CC(O)=O
MolPort-009-199-286 0.68 CCC(=O)CC(O)=O
MolPort-013-488-812 0.68 CC(C)(C)CC(O)C(O)=O
MolPort-046-764-783 0.68 [2H]C([2H])([2H])C(C)C[C@H](O)C(O)=O
MolPort-000-004-564 0.68 CCC(C)C(=O)C(O)=O
MolPort-003-938-938 0.68 CCCC(=O)C(O)=O
MolPort-003-928-012 0.68 CC(C)C[C@H](O)C(O)=O
MolPort-000-003-940 0.68 CC(C)C[C@@H](O)C(O)=O
MolPort-003-938-585 0.68 CC(C)CC(=O)C(O)=O
MolPort-000-003-935 0.68 CC[C@H](C)[C@H](O)C(O)=O
MolPort-008-643-584 0.68 CCC(O)CC(O)=O
MolPort-008-643-640 0.68 CC(C)C(O)CC(O)=O
MolPort-044-559-293 0.68 CC(=O)C12CC(O)(C1)C2
MolPort-035-773-779 0.68 CCC[C@H](CO)C(O)=O
MolPort-002-344-095 0.68 CC(C)CC(O)C(O)=O
MolPort-044-878-130 0.68 CC[C@H](O)CC(O)=O
MolPort-001-919-208 0.68 CC(=O)C(C)(C)CC(O)=O
MolPort-001-786-399 0.68 CC(CC(C)=O)C(O)=O
MolPort-006-128-429 0.68 CCC[C@H](O)C(O)=O
MolPort-028-951-457 0.68 CC(C)[C@@H](O)CC(O)=O
MolPort-006-120-502 0.68 CC(O)CCC(O)=O
MolPort-044-768-442 0.68 CC[C@@H](C)[C@@H](O)C(O)=O
MolPort-011-285-018 0.68 CCC(C)(O)CC(O)=O
MolPort-002-490-678 0.68 CC(C)(C)CC(=O)C(O)=O
MolPort-046-289-670 0.68 CC(C)(C)CC(C)(O)C(O)=O
MolPort-002-491-941 0.68 CCC(C)(C)C(=O)C(O)=O
MolPort-022-366-948 0.68 CC(=O)CC(C)(C)C(O)=O
MCULE-2487477968 0.68 OC(C)(CC(=O)O)CC
MCULE-1740362996 0.68 C(O)(=O)[C@@H](O)CC(C)C
MCULE-4108530385 0.68 [C@H](O)(C(=O)O)CC(C)C
MCULE-1083768149 0.68 O=C(CC(=O)O)CC
MCULE-8816195933 0.68 C(O)(=O)CCCCO
MCULE-4640477792 0.68 C(C)(C(=O)O)CC(=O)C
MCULE-1392778065 0.68 CC(CCC(O)=O)=O
MCULE-3797968347 0.68 C(C)(C)(CC(O)=O)C(C)=O
MCULE-2534296973 0.68 C(C)(C)(C(C)(C)C)C(O)C(O)=O
MCULE-2376245949 0.68 C(=O)(C(=O)O)C(C)CC
MCULE-4663578527 0.68 CCC(CC(=O)O)O
MCULE-8321722254 0.68 C(O)(=O)[C@@H](O)CCC
MCULE-6533548138 0.68 CCC[C@@H](C(=O)O)O
MCULE-2577623422 0.68 C(C(O)C(C)C)C(O)=O
MCULE-9095166615 0.68 C(C)(C(=O)C)CC(=O)O
MCULE-3548808704 0.68 CC(CC(C(O)=O)(C)C)=O
MCULE-1736607265 0.68 C(O)(=O)[C@H](O)CC(C)(C)C
MCULE-3022799655 0.68 C(C)(O)(CC(C)(C)C)C(O)=O
MCULE-4315013875 0.68 C(O)(=O)C(O)CC(C)C
MCULE-2804875804 0.68 C(O)(=O)[C@@H](O)[C@@H](C)CC
MCULE-1249992642 0.68 C(C1CC(O)C1)(=O)C
MCULE-4466965907 0.68 C(O)(=O)[C@@H](O)CC(C)C
MCULE-5253943571 0.68 C(O)(=O)[C@H](O)CC(C)C
MCULE-4155006996 0.68 C(O)(=O)C(=O)CC(C)C
MCULE-6352217997 0.68 CC(CCC(O)=O)O
MCULE-6600862818 0.68 C(O)(=O)C(O)(C)CC(C)C
MCULE-4576125997 0.68 CC(CCC([O-])=O)(O)C
MCULE-5292180056 0.68 CCCC(C(O)=O)(O)C
MCULE-2158861127 0.68 CC(CC(C(O)=O)O)(C)C
MCULE-4300622531 0.68 CCC(C(C(O)=O)O)C
MCULE-2303513219 0.68 NC1C(C(O)=O)CCCCCC1
MCULE-5498377990 0.68 C(O)(C(CCCCCC)N)=O
MCULE-8477320042 0.68 C(C1(CCCCCCC1)N)C(O)=O
MCULE-7367412741 0.68 C(CCCCCC)[C@@H](N)C(=O)O
MCULE-7408503189 0.68 [C@@H](N)(C(O)=O)CCCCC[C@H](N)C(O)=O
MCULE-5378317141 0.68 COC1(C=O)C(C2CC2)CCCC1
MCULE-4805086929 0.68 COC1(C=O)CCC2(CC2)CC1
MCULE-7291666407 0.68 CCCCCCCC(CC(O)=O)N
MCULE-5284022260 0.68 C(O)(C(CCCCCCCCCC(O)=O)N)=O
MCULE-7339170439 0.68 C(O)([C@@H](CCCCCCCC)N)=O
MCULE-6090735433 0.68 C(O)([C@@H](CCCCC)N)=O
MCULE-9163680563 0.68 C(O)([C@@H](CCCCCC)N)=O
MCULE-9305246958 0.68 C(F)(F)(F)C(CCC(O)=O)CCC(O)=O
MCULE-6464282610 0.68 C(OC)(CCC(CCC(OC)=O)C(C)=O)=O
MCULE-1786836132 0.68 C(O)(C(CCCCCCC(N)C(O)=O)N)=O
MCULE-5699505174 0.68 CC(CCCC(C(O)=O)N)C
MCULE-9959237270 0.68 [C@H](N)(C(=O)O)CCCCCC
MCULE-2069821066 0.68 C(O)(=O)[C@@H](N)CCCCCC(O)=O
MCULE-7333987645 0.68 CC(=O)CCC(C(=O)OC)(C(C)C)C
MCULE-1629095969 0.68 [C@]12(C)CCC(CC1C(=O)CC1C3[C@@](C)(C(CC3)C3(C)CO3)CCC12)=O
MCULE-1332766356 0.68 C(O)(=O)CC(CCCCC)N
MCULE-7136532768 0.68 C(O)([C@@H](CCCCCCCCC)N)=O
MCULE-7375185664 0.68 C12CC(CC1C(OC)=O)C2(C)C
MCULE-6114365319 0.68 C(O)([C@H](CCCCCCCCCC)N)=O
MCULE-1753922453 0.68 [H][C@@]12[C@]3(CC[C@]4([C@](C)([C@]3(C)CC[C@@]1(C=O)CC[C@H]2C(=C)C)CC[C@]1([H])[C@@]4(CC[C@@H](C1(C)C)O)C)[H])[H]
MCULE-4762996603 0.68 C(O)(C(CCCCCCCC(O)=O)N)=O
MCULE-3354387131 0.68 Cl.CC1(C(CCC(O)=O)CC1N)C
MCULE-3295005943 0.68 CC(CCC(C(O)=O)CCN)(C)C
MCULE-2744396484 0.68 COCC(C1CCC2(CC2)CC1)=O
MCULE-8848436054 0.68 CCCC(CC(C(O)=O)N)C
MCULE-4570624277 0.68 Cl.N[C@@H]1C[C@H](CCC(O)=O)C1
MCULE-7955202588 0.68 C(CCCC(CC)=O)(OC)=O
MCULE-2486712857 0.68 C(C(N)C(=O)O)CCCC(=O)O
MCULE-9801560462 0.68 CCCCCCCCC[C@](N)(C(O)=O)[H]
MCULE-6452147303 0.68 C(O)([C@H](CCCC(C)C)N)=O
MCULE-1465219084 0.68 O=C1CCCCC2CCCC(OC)C21
MCULE-5683869807 0.68 Cl.C(O)(CCC(CCCC)N)=O
MCULE-5558679374 0.68 C(O)(C(CCCCC)N)=O
MCULE-8706705761 0.68 C(C1(CCCC1)N)C(O)=O
MCULE-5294938808 0.68 COC1(C=O)C2(CCCCC2)CC1
MCULE-4664971785 0.68 NC1(CCCC1)CCC(O)=O
MCULE-9426648906 0.68 C(C(N)CC(C)CC(C)(C)C)C(O)=O
MCULE-8299240038 0.68 C(O)(=O)CC(CCCCCC)N
MCULE-8521850051 0.68 [H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1CC2)C(COC)=O
MCULE-8412115358 0.68 C(C(=O)O)(CC#C)CCCCCC
MCULE-7986447727 0.68 C12(C)CCC(C1(C)C)C2C(OC)=O
MCULE-3570091490 0.68 C(CCCC(CCCCCCCC(O)=O)N)(O)=O
MCULE-4518631723 0.68 C(O)(C(CCCCCCC)N)=O
MCULE-8965199592 0.68 C(O)(=O)[C@H](N)CCCCC(O)=O
MCULE-8211700424 0.68 C(O)(=O)C(C)(CCCC(C)=C)C=C
MCULE-6205813007 0.68 C(O)(C(CCCCC(N)C(O)=O)N)=O
MCULE-7949829956 0.68 O=C(C(CCCCCC(=O)O)N)O
MCULE-4878262422 0.68 C12(C)CCC(O)(C#C)CC1CCC1C3C(C)(CCC21)C(=O)CC3
MCULE-1878960996 0.68 C(O)(CCC(CCC)OC)=O
MCULE-3310366500 0.68 CCCCCCCCCCC(C(=O)O)N
MCULE-4258195582 0.68 COCC(C1CC2(CC2)CCC1)=O
MCULE-9580133307 0.68 CCCCCCCCCCCCCCC(C(=O)O)N
MCULE-9961773652 0.68 C(O)([C@H](CCCCC)N)=O
MCULE-2484766562 0.68 C1C[C@@]2([C@]3(CC[C@@]4([C@]5([C@H](C(C)=C)CC[C@]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)[H])[H])[H])C
MCULE-5147614071 0.68 CCCCCCCCC(C(=O)O)N
MCULE-1741748079 0.68 CCCCCCC(C(O)=O)(N)C
MCULE-9380160190 0.68 C(O)(=O)C(CCCCCCCC)C#N
MCULE-4486967061 0.68 C(O)([C@H](CCCCCCCC)N)=O
MCULE-2362046665 0.68 C(O)(C(O)C(O)C(CO)O)C(O)C([O-])=O
MCULE-5845149590 0.68 C([C@H](C)CCC)[C@H](N)CC(=O)O
MCULE-9920598905 0.68 C(CCCC(CCCCCCC(O)=O)N)(O)=O
MCULE-7151037911 0.68 C(O)(=O)[C@@H](N)CCCCCC
MCULE-4522889843 0.68 OC(=O)[C@@H](N)CCCCCN
MCULE-4773146395 0.68 CCCCCC(CCC#N)C(O)=O
MCULE-6806526657 0.68 C(CCCCC(=O)O)[C@@H](N)C(=O)O
MCULE-8187325420 0.68 COC[C@]1(CC[C@@]2(C)C(CCC3C2CC[C@@]2(C)C3CC[C@@]2(C(C)=O)[H])C1)O
MCULE-8108024359 0.68 CCCCC[C@@H](C(=O)O)N
MCULE-6240456970 0.68 COC1(CCCC1)CC1C(=O)CCCC1
MCULE-7330087839 0.68 COC1(CCCCC1)CC1C(=O)CCC1
MCULE-1750659514 0.68 C(O)(C(CCCCCC(N)C(O)=O)N)=O
MCULE-6203967106 0.68 C(O)(=O)CC(CCCCC(C)(C)C)N
MCULE-6888035325 0.68 [H]C12CCCCC1(C)C1CCC3(C)C(C(OC)CC3C1CC2)C(CC)=O
MCULE-6660531044 0.68 CCCCCC[C@@H](C(=O)O)N
MCULE-3981603450 0.68 CCCCC[C@H](C(=O)O)N
MCULE-2988871212 0.68 Cl.NCCCCC1(C(O)=O)CCC1
MCULE-3829365410 0.68 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(COC)=O)[H]
MCULE-9259764312 0.68 C12(CCC(C1(C)C)(C)C2)C(OC)=O
MCULE-4061410149 0.68 CCCCCCC[C@@H](C(=O)O)N
MolPort-023-282-732 0.68 COC(=O)CCC(CCC(=O)OC)C(C)=O
MolPort-019-997-095 0.68 OC(=O)CCCCC(Cl)CCCl
MolPort-039-242-118 0.68 Cl.CCCC[C@@H](N)CC(O)=O
MolPort-020-003-967 0.68 N[C@H](CCCCCC(O)=O)C(O)=O
MolPort-046-676-674 0.68 OC(=O)C12CC(CCCCCF)(C1)C2
MolPort-039-242-815 0.68 Cl.CC1(C)C(N)CC1CCC(O)=O
MolPort-044-723-464 0.68 COC(=O)C(C)(CCC(C)=O)C(C)C
MolPort-002-054-306 0.68 N[C@H]1CCCCCC[C@H]1C(O)=O
MolPort-002-152-141 0.68 Cl.CCCCC(N)CCC(O)=O
MolPort-023-299-061 0.68 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO
MolPort-003-925-583 0.68 CCCCCCCCC(N)C(O)=O
MolPort-003-925-599 0.68 CCCCCC(N)C(O)=O
MolPort-046-675-446 0.68 Cl.NC1CC2(C1)CC1(CC(C1)C(O)=O)C2
MolPort-035-681-231 0.68 CCCCCCC[C@H](N)C(O)=O
MolPort-002-499-691 0.68 OC(=O)CCCCC(S)CCS
MolPort-019-922-334 0.68 CCC(=O)CCCC(=O)OC
MolPort-038-387-358 0.68 N[C@H]1CCCCCC[C@H]1C(O)=O.N[C@@H]1CCCCCC[C@@H]1C(O)=O
MolPort-038-387-482 0.68 Cl.CCCCC(N)CC(O)=O
MolPort-012-733-009 0.68 CCCC(C)CC(N)C(O)=O
MolPort-012-685-174 0.68 CCCCCCCCCCC(N)C(O)=O
MolPort-020-615-271 0.68 NC1(CC(O)=O)CCCC1
MolPort-038-512-857 0.68 CCCCCCCC[C@H](N)C(O)=O
MolPort-038-549-923 0.68 CCCCCCCCC[C@H](N)C(O)=O
MolPort-046-140-202 0.68 Cl.NC1CC(CCC(O)=O)C1
MolPort-008-268-026 0.68 CCCCCC[C@H](N)C(O)=O
MolPort-046-689-533 0.68 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-002-135-174 0.68 NC(CCCCCCCCCC(O)=O)C(O)=O
MolPort-008-268-025 0.68 CCCCCC[C@@H](N)C(O)=O
MolPort-027-637-299 0.68 CC(=C)[C@@H]1CC[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)[C@@H]12)C=O
MolPort-006-116-071 0.68 N[C@@H](CCCCCC(O)=O)C(O)=O
MolPort-006-067-439 0.68 CC(CC(N)CC(O)=O)CC(C)(C)C
MolPort-002-915-363 0.68 NC(CCCCC(O)=O)C(O)=O
MolPort-046-689-538 0.68 CC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-008-155-914 0.68 NC(CCCCCC(O)=O)C(O)=O
MolPort-046-142-025 0.68 Cl.N[C@H]1C[C@@H](CCC(O)=O)C1
MolPort-003-925-600 0.68 CCCCCCCCCCCCCCC(N)C(O)=O
MolPort-002-514-692 0.68 NC(CCCCCC(N)C(O)=O)C(O)=O
MolPort-046-590-898 0.68 COC[C@@]1(O)CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)=O)[C@@]4(C)CCC23)C1
MolPort-046-153-745 0.68 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)C=O
MolPort-046-647-193 0.68 COC1CC(CC(O)=O)C1(C)C
MolPort-044-428-599 0.68 OC(=O)C1CC2(CC(F)C2)C1
MolPort-002-522-669 0.68 NC(CCCCCCCC(O)=O)C(O)=O
MolPort-005-314-005 0.68 Cl.NC1CC2(C1)CC(C2)C(O)=O
MolPort-002-514-885 0.68 NC(CCCCCCC(N)C(O)=O)C(O)=O
MolPort-002-512-314 0.68 NC(CCCCCCC(O)=O)CCCC(O)=O
MolPort-042-623-433 0.68 Cl.CC1(C)[C@@H](N)C[C@H]1CCC(O)=O
MolPort-002-511-029 0.68 CC1(CO1)C1CCC2C3CC(=O)C4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-019-939-276 0.68 CCCCCCC(CC#C)C(O)=O
MolPort-002-510-603 0.68 CCCCCCCC(N)C(O)=O
MolPort-006-170-500 0.68 N[C@@H]1CCCCCC[C@@H]1C(O)=O
MolPort-001-792-139 0.68 CCCCCCC(N)C(O)=O
MolPort-044-730-171 0.68 Cl.NCCCCC1(CCC1)C(O)=O
MolPort-002-507-293 0.68 NC(CCCCC(N)C(O)=O)C(O)=O
MolPort-027-834-970 0.68 CCCCC[C@H](N)C(O)=O
MolPort-020-915-632 0.68 CCCCCCC(N)CC(O)=O
MolPort-027-834-969 0.68 CCCCC[C@@H](N)C(O)=O
MolPort-009-019-063 0.68 Cl.C[C@H](N)C(=O)CCCCCC(O)=O
MolPort-046-142-270 0.68 Cl.NC(CCCC(O)=O)CCCC(O)=O
MolPort-046-674-838 0.68 OC(=O)C12CC(CCCF)(C1)C2
MolPort-000-696-695 0.68 [NH3+]C(CCCCCCC([NH3+])C([O-])=O)C([O-])=O
MolPort-000-704-498 0.68 [NH3+]C(CCCCCC([NH3+])C([O-])=O)C([O-])=O
MolPort-021-452-663 0.68 NC1(CC(O)=O)CCCCCCC1
MolPort-007-980-904 0.68 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O
MolPort-020-915-619 0.68 CCCCCCCC(N)CC(O)=O
MolPort-023-332-999 0.68 CC(C)CCC[C@H](N)C(O)=O
MolPort-046-672-481 0.68 OC(=O)C12CC(CCCCF)(C1)C2
MolPort-044-182-093 0.68 COC(=O)C12CC(CC(O)=O)(C1)CC2
MolPort-005-260-278 0.68 CCCCCCC(C)(N)C(O)=O
MolPort-020-915-618 0.68 CCCCCC(N)CC(O)=O
MCULE-9484976840 0.67 CCC(C1(C(O)=O)CC2C(C2)C1)C#N
MCULE-6031635877 0.67 C(C)(C)(C(C)(C)C)CC(N)C(O)=O
MCULE-8531529854 0.67 Cl.N[C@@]1(C(O)=O)[C@H]2C[C@H](CC2)C1
MCULE-3745474351 0.67 C1C(CC(OC)=O)(CCC(OC)=O)C1
MCULE-7787037916 0.67 C1(CCC(OC)CC1)=O
MCULE-8251326522 0.67 C=C1C[C@@]23[C@](CC[C@@]1(C2)O)([H])[C@@]1(C)[C@]([C@@](CCC1)(C(=O)O)C)([H])CC3
MCULE-3735012527 0.67 C[C@@]1([C@@]2([H])[C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4=C)O)[H])(C)CCC1)C(=O)O
MCULE-6129982494 0.67 Cl.NC(C(O)=O)C1C2CC(CC2)C1
MCULE-9962532303 0.67 [C@@H]1(C(O)=O)CC[C@@H](CC(=O)OCC)CC1
MCULE-5502250330 0.67 Cl.C(O)(=O)CC(CCC)N
MCULE-6367150587 0.67 CC(C#N)CC1(C(O)=O)C(=O)CCCC1
MCULE-3869251017 0.67 C1(C(=O)O)(C(=O)O)C(C)(C)C(C(O)=O)(C(=O)O)C1
MCULE-8594791252 0.67 [H]Cl.C(O)(=O)C[C@@H](N)CC(C)C
MCULE-8872228372 0.67 Cl.CC(CCC(O)=O)(CCN)C
MCULE-7850974170 0.67 C(OC)(C12CC3(CC(CCC(C1)C3)C2)C(O)=O)=O
MCULE-3763983934 0.67 Cl.N[C@H]1[C@H]2C[C@H](CC2)[C@H]1C(O)=O
MCULE-7007151901 0.67 C1CC23CC(C(OC)=O)C(=O)C2(CCCC3)CC1
MCULE-2086088700 0.67 C(CCCCCBr)(O)=O
MCULE-9833457318 0.67 CCC(CC(C(O)=O)N)C
MCULE-3961536353 0.67 C12CC(CC1C(OC)=O)CC2O
MCULE-7887308813 0.67 NC1(CCC1)CC(O)=O
MCULE-9699997755 0.67 C12C(C1)CCCC2(N)C(O)=O
MCULE-8221314475 0.67 N[C@@H]([C@@H](CC)C)CC(O)=O.Cl
MCULE-6115821019 0.67 C12(C)CCC(C(CC(OC)=O)C1=O)C2(C)C
MCULE-2659169602 0.67 CC(C#N)CC1(C(O)=O)CC2C(C2)C1
MCULE-4385588365 0.67 C1(CCCCC1)C(CCCCCCC(=O)OCC)=O
MCULE-1892813010 0.67 C1(C(CCCCCC(=O)OCC)=O)CCCCC1
MCULE-7256441119 0.67 C1(C(=O)CCCCC(=O)OCC)CCCCC1
MCULE-2469454327 0.67 C1(CC(C1)CCOC)C(OC)=O
MCULE-4931976855 0.67 NC1(CC2CC(CC2)C1)CC(O)=O
MCULE-6447039552 0.67 COC(C1CC(C)CC1)=O
MCULE-5274950471 0.67 C(O)(=O)C(N)CC(C)(C)C(C)C
MCULE-1657006994 0.67 COC1(C(O)=O)C(C2CC2)CCCC1
MCULE-3357769597 0.67 C12(C)CCC(C(Br)C1=O)C2(C)CCC(O)=O
MCULE-5768384315 0.67 COC(C1(C(C2CC2)CCCC1)O)=O
MCULE-6212623017 0.67 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O)C
MCULE-9582451771 0.67 C1(CC2CCC(C2O)C1)C(OC)=O
MCULE-8091131175 0.67 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-].[K+]
MCULE-2082228842 0.67 CC(C#N)(CC1(C(O)=O)CC2CC2C1)C
MCULE-2931632246 0.67 CC(CC[C@@H](C(O)=O)N)C
MCULE-9003092096 0.67 [Na+].C12(CCC(C(C)(C)C1=C)C2)C(=O)[O-]
MCULE-3656145338 0.67 C(O)(=O)[C@H](CCCC)N
MCULE-9648728615 0.67 C1C2C(C3CC1CC(C(=O)O)(C3)C2)(OC)OC
MCULE-2214472122 0.67 C12(CCC(C(C)(C)C1=O)C2)C(OC)=O
MCULE-4492110982 0.67 C12(CCC(C(C)(C)C1O)C2)C(OC)=O
MCULE-5622585437 0.67 C12(C)CCC(C([H])(C(OC)=O)C1([H])O)C2(C)C
MCULE-8521001830 0.67 C1C2C(Br)(Br)C3CC(C(=O)O)(CC1C3)C2
MCULE-7740459785 0.67 C1C2C(Cl)(Cl)C3CC(C(=O)O)(CC1C3)C2
MCULE-5446714326 0.67 C1C2CC3C(Br)(Br)C(C(=O)O)(CC1C3)C2
MCULE-8119826546 0.67 C1C2CC3C(Cl)(Cl)C(C(=O)O)(CC1C3)C2
MCULE-7020681779 0.67 C(C)(C)C[C@H](CN)CC(=O)O
MCULE-2459040084 0.67 OC(C(C1CCC(C2CCC2)CC1)F)=O
MCULE-1152805009 0.67 O=C(CC1CCCCC1)OCC
MCULE-5593873511 0.67 Cl.CCC[C@@H](CC(=O)O)N
MCULE-7849864277 0.67 C12(CCC(C(C)(C)C1C=O)C2)C(OC)=O
MCULE-1222748729 0.67 CC(=O)CC(O)CC
MCULE-3300826678 0.67 CC(C[C@@H](CN)CC(O)=O)C
MCULE-8635267655 0.67 C12(CCC(C(C)(C)C1CO)C2)C(OC)=O
MCULE-7170875932 0.67 C(O)(=O)CCCCCON.[H]Br
MCULE-5025912678 0.67 OC(C1(CC2C(C2)C1)CC#N)=O
MCULE-5848120811 0.67 C1(=C)C2CCC1CC(C(O)=O)C2
MCULE-4516583343 0.67 OC(C1(C(=O)CCCC1)CC#N)=O
MCULE-2348244346 0.67 O=C(OCC)C1CCC(C)CC1
MCULE-3687527484 0.67 C(O)([C@@H](CCCC)N)=O
MCULE-2953867154 0.67 CCC(C1(C(O)=O)C(=O)CCCC1)C#N
MCULE-3558747073 0.67 [C@]12(CC[C@]3([C@@](CC[C@@]4([H])[C@](C)(CO)[C@H](CC[C@]34C)O)([C@]1(C)CC[C@@]1(C(O)=O)CC[C@@H](C(C)=C)[C@@]12[H])C)[H])[H]
MCULE-7427914532 0.67 C(O)([C@H](CCCC)N)=O
MCULE-2845490138 0.67 [C@]123CC[C@H](C1)C(C(=C)[C@@]2([H])CC[C@@H]3C(O)=O)(C)C
MCULE-5689798244 0.67 COC(C1(CCC2(CC2)CC1)O)=O
MCULE-4006277745 0.67 O=C(O)C1CCC(OCC)CC1
MCULE-3850767313 0.67 CCOC(C1(CCCCC1)C)=O
MCULE-5033613202 0.67 CC(C1(C(O)=O)C(=O)CCCC1)CC#N
MCULE-3409356806 0.67 CC(C1(CC2CC(CC2)C1)CC(O)=O)N
MCULE-6617497689 0.67 C(OCC)(=O)C(CC)C1CCC(OC)CC1
MCULE-9036980261 0.67 NCC1(CC2CC(CC2)C1)CC(O)=O
MCULE-6212031690 0.67 C1CC(CC1)C(=O)OC
MCULE-7166037087 0.67 OC(C1(C(=O)CCCC1)CCC#N)=O
MCULE-5502640895 0.67 CC(C[C@@H](CC(=O)O)N)C.Cl
MCULE-1278035588 0.67 COC(C1C(=O)CCC2(CC2)C1)=O
MCULE-8445816518 0.67 [C@@H]1(C(O)=O)C[C@@H]2[C@@H](C2(C)C)C[C@@]1(N)C
MCULE-4930484202 0.67 C(O)(C(CCCC)N)=O
MCULE-3326033710 0.67 C12(CCC(CC1=O)C2(C)C)C(OC)=O
MCULE-8831613838 0.67 C12(CC(CC1)CC2Br)C(O)=O
MCULE-5271927717 0.67 CC(C1(C(O)=O)CC2C(C2)C1)C#N
MCULE-7832096969 0.67 O=C(CC1CCC(=O)CC1)OCC
MCULE-5395956778 0.67 O=C(CC(C)(C)O)C(C)C
MCULE-3738071496 0.67 C(O)([C@H](N)CCC(C)C)=O
MCULE-2792752800 0.67 [C@@H]1(C(OCC)=O)CC[C@@H](CO)CC1
MCULE-8321110205 0.67 CC(C1(C(O)=O)C(=O)CCCC1)C#N
MCULE-6264301402 0.67 [C@@H]1(C(OCC)=O)CC[C@@H](C=O)CC1
MCULE-6385548509 0.67 C12(CC3CC(CC(C3)C1)C2)C(OCC)=O
MCULE-3446264257 0.67 CC(C1(C(O)=O)CCC(O)CC1)C#N
MCULE-6685522563 0.67 OC(C1(CCCCC1)CC1C(F)(F)C1)=O
MCULE-4148985177 0.67 C12(CC3CC(CC(C3)C1)C2)C(=O)OC(C)C
MCULE-4994351302 0.67 C(OC)(=O)C1(CCCC1)C
MCULE-5011947309 0.67 C12(CC3CC(CC(C3)C1)C2)CC(OCC)=O
MCULE-4667910034 0.67 COC1(C(O)=O)C2(CCCCC2)CC1
MCULE-1643755186 0.67 C1CCC(C(F)(F)F)(C(=O)O)CC1
MCULE-3603744726 0.67 OC([C@H]1[C@H](C(F)(F)F)CCCC1)=O
MCULE-1152840736 0.67 C(O)(=O)[C@H](CCC(C)C)N
MCULE-9808554435 0.67 C1C(=O)CCC(CC(=O)OC)(O)C1
MCULE-4432824163 0.67 CCOC(CC(C1CCCCC1)C)=O
MCULE-1233983645 0.67 CC12C3CCC4(O)C(CC3(C4)CCC1C(C(O)=O)(C)CCC2)=C
MCULE-3934470481 0.67 OC(C1C(C(F)(F)F)CCCC1)=O
MCULE-2332297552 0.67 CC(OC(C1CCC(C(=O)O)CC1)=O)(C)C
MCULE-5001409958 0.67 CC(CCC(C(O)=O)N)(C)C
MCULE-6061083912 0.67 C12(CC3CC(C1)CC(C3)(C(Cl)C(O)=O)C2)C(Cl)C(O)=O
MCULE-7823486309 0.67 NC(C(O)=O)C1CC2C(C2)C1
MCULE-5323450235 0.67 COC(C12C3C4(C(OC)=O)C1C1C4CCC3C21)=O
MCULE-2882981418 0.67 O=C(OCC)C1CCC(C=O)CC1
MCULE-4107052718 0.67 C(OC)(=O)C1C(C)CC1
MCULE-3460119956 0.67 CC(C(O)=O)(C(C1CC2C(C2)C1)N)C
MCULE-9928258927 0.67 C12(C)CCC(CC(N)(C(O)=O)C1)C2(C)C
MCULE-8665836138 0.67 OC(C(C#N)CC1CC2C(C2)CC1)=O
MCULE-4620415947 0.67 C(O)(C[C@@H](CN)CC(C)C)=O
MCULE-2112175098 0.67 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(CO)(C)C(O)CC2)CC3)=C
MCULE-8752852377 0.67 C(O)(=O)C[C@H](N)CC(C)C.[H]Cl
MCULE-5359238908 0.67 CCC[C@@H](CC(=O)O)N.[H]Cl
MCULE-7445761203 0.67 CC(C(O)=O)(C(C1CC2C(C2)CC1)N)C
MCULE-7351057951 0.67 CCOC(C1CCC(CC(=O)O)CC1)=O
MCULE-9077872697 0.67 OC(C(C#N)CC1CC2C(C2)C1)=O
MCULE-6569170574 0.67 C1CC2(C(C3(C(C(C(C31)(C)C)O)C=O)C)CCC1C3C(C(C)=C)CCC3(CCC21C)C(=O)O)C
MCULE-3714643144 0.67 BrC(C12CC3(C(C(O)=O)Br)CC(C1)CC(C3)C2)C(O)=O
MCULE-9021154421 0.67 NC1(C(O)=O)CC2CC(CC2)C1
MCULE-7422252593 0.67 NC(C(O)=O)C1CC2C(C2)CC1
MCULE-8689527082 0.67 C(O)(CC(C)(C)CC(C)(C)N)=O
MCULE-3005321120 0.67 COC(C(C1CCC1)C)=O
MCULE-6622276305 0.67 CC1(C(C(O)=O)CC(F)(F)CC1)C
MCULE-3979623546 0.67 OC(C1(CC2C(C2)C1)CCC#N)=O
MCULE-3978936660 0.67 C(O)(CC(CN)CC(C)C)=O
MCULE-2685730195 0.67 OC(C1CC(F)(F)CCC1)=O
MCULE-1994725623 0.67 CCOC(C(CC1CCCCC1)C)=O
MCULE-7249376708 0.67 C1(CCCCC1(F)F)C(O)=O
MCULE-3419329115 0.67 OC(CCCCCCl)=O
MCULE-3481285649 0.67 CCCC(C(C(O)=O)N)C
MCULE-6847644476 0.67 COC(C1C(=O)CCC(C2CCC2)C1)=O
MCULE-1373504418 0.67 OC([C@H]1[C@H]2CC(F)(F)[C@H](C2)C1)=O
MCULE-7339321056 0.67 CCC(C1(C(O)=O)CCC(O)CC1)C#N
MCULE-9702112200 0.67 COC(C1(C2(CCCCC2)CC1)O)=O
MCULE-2648906698 0.67 OC(C1(CC2C(C2)C1)CC1(C#N)CC1)=O
MCULE-7258207885 0.67 Cl.NCC1(C2CC(CC2)C1)CC(O)=O
MCULE-1052354828 0.67 C(OCC)(=O)C(C1CCC(O)CC1)C
MCULE-7022503614 0.67 C1(OC)CCCCC1=O
MCULE-7354026660 0.67 [C@]12(C)CCC3C(CC[C@]4([H])C[C@H](OC=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCC(O)=O
MCULE-9207388478 0.67 OC(C(C1C2(CCCCC2)CC1)F)=O
MCULE-2481806013 0.67 C12(CCC(CC1F)C2(C)C)C(O)=O
MCULE-6317896896 0.67 C1[C@@H](CC(=O)OCC)CC[C@H](O)C1
MCULE-3711703304 0.67 CC(C#N)CC1(C(O)=O)CCC(O)CC1
MCULE-6834029896 0.67 C1(C)(CCC(C)C1)C(OC)=O
MCULE-5464457037 0.67 C12(CCC(C(C)(C)C1F)C2)C(O)=O
MCULE-3133678049 0.67 CC(C1(C(O)=O)CCC(O)CC1)CC#N
MCULE-5897864960 0.67 NC(C1CC2C(C2)CC1)CC(O)=O
MCULE-8000068024 0.67 OC(C(C1C(C2CC2)CCCC1)F)=O
MCULE-3795646947 0.67 C(C1CCCCC1)CC(=O)OCC
MCULE-4570687818 0.67 CC(CCCC(O)=O)N
MCULE-7138216377 0.67 O=C1CCC2(C)C3CC(C4(C)C(CCC4C3CCC2(C1)[H])C(OC)=O)=O
MCULE-9126260921 0.67 Cl.C(O)(CCC(CC)N)=O
MCULE-2197941268 0.67 C12(CC(CC1)CC2F)C(O)=O
MCULE-5711462437 0.67 ClC(C1CC2CC1CC2)C(O)=O
MCULE-6646418122 0.67 CC(CC[C@H](C(=O)O)N)C
MCULE-7354780460 0.67 NC(C1CC2C(C2)C1)CC(O)=O
MCULE-6737126621 0.67 C12CC(CC1C(O)=O)CC2F
MCULE-8804808816 0.67 NC(C1CC1)CC(O)=O
MCULE-7864319455 0.67 O=C1CCC2(C)C3CC(O)C4(C)C(CCC4C3CCC2(C1)[H])C(OC)=O
MCULE-3636631147 0.67 O=CC(CCCCC)CCOC
MCULE-9489706932 0.67 C1CC(C(=O)OCC)CCC1
MCULE-6237275909 0.67 NC(C(O)=O)C(C1C2CCC(CC2)C1)O
MCULE-1291727706 0.67 Cl.NC1(C(O)=O)CC2(CCC2)CCC1
MCULE-6592793938 0.67 CC(CCC(C(O)=O)(N)C)C
MCULE-6793890356 0.67 NC(CCCCC(O)=O)=O
MCULE-7227599814 0.67 O=CC(CCCC)CCOC
MCULE-9123398749 0.67 C(OC)(=O)CC1CCCCC1OC
MCULE-6736431365 0.67 OC(CCCCCF)=O
MCULE-4306790126 0.67 COC(C(C1(CCC2(CC2)CC1)O)C)=O
MCULE-9410581572 0.67 CCCC[C@H](C(O)=O)N
MCULE-5883482541 0.67 COC1(C(O)=O)CCC2(CC2)CC1
MCULE-7378277354 0.67 COC(C(C1C2(CCCCC2)CC1)O)=O
MCULE-6220767862 0.67 C1(CC(C1)CC)C(OC)=O
MCULE-9758294361 0.67 OC(C(C1CCC2(CC2)CC1)F)=O
MCULE-9538974037 0.67 C(=O)OC1CC2CCC3C4CCC(C(C)CCC(O)=O)C4(C)C(CC3C2(C)CC1)OC=O
MCULE-4825072045 0.67 C1(=O)C2CCC1CC(C(OC)=O)C2
MCULE-9703167954 0.67 Cl.NCC1(C(O)=O)C2CC(CC2)C1
MCULE-3221083368 0.67 Cl.C(CCCCCON)(O)=O
MCULE-7790812378 0.67 C1(C)(CC)CC1C(OC)=O
MCULE-6200056500 0.67 Cl.CC(CC(CC(O)=O)N)(C)C
MCULE-1407199461 0.67 C1(CC2CC(CC(C2)C1)=O)C(OCC)=O
MCULE-2095199592 0.67 NC(C(O)=O)CC1CC2C(C2)CC1
MCULE-1933600377 0.67 CC([C@@]1(C(O)=O)[C@H](C(O)=O)C1)C
MCULE-2458365976 0.67 C1CC2(C)CCC(C(=C)C(=O)O)CC2C(O)(C)C1O
MCULE-1983468268 0.67 NC(C(O)=O)CC1CC2C(C2)C1
MCULE-2608979752 0.67 COC(C1C(C(C)(C)C)C1)=O
MCULE-9542528666 0.67 C(O)(=O)C(N)CC(C)(C)CC
MCULE-4023437792 0.67 CC(C(O)=O)(C1C2CC(CC2)C1)N.Cl
MCULE-9706743745 0.67 C1C[C@]2(C)[C@]3([H])CC[C@@]4(O)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-8486881332 0.67 CC(C1(C(O)=O)CC2C(C2)C1)CC#N
MCULE-6724157141 0.67 NC1C2(C(O)=O)CC(CC2)C1.Cl
MCULE-7494642848 0.67 CC(CCC(C(O)=O)N)C
MCULE-3719801152 0.67 [C@@H]1(O)C[C@@]2(C3CCC4C5[C@H](C(C)=C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CCC2C([C@H]1O)(C)C)C)C
MCULE-3320637382 0.67 C1(CC2CCC(C2F)C1)C(O)=O
MCULE-4644930043 0.67 NC(C(O)=O)C1CC2CC(CC2)C1
MolPort-001-791-891 0.67 CCOC(=O)CC1CCCCC1
MolPort-046-300-152 0.67 OC(=O)CCCCCF
MolPort-001-792-901 0.67 CCCC[C@H](N)C(O)=O
MolPort-046-203-550 0.67 Cl.CC1(C)C2CCC1(C(N)C2)C(O)=O
MolPort-001-793-388 0.67 COC1CCCCC1=O
MolPort-046-196-151 0.67 CC(C)C(=O)CC(C)(C)O
MolPort-046-153-069 0.67 C[C@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-046-148-168 0.67 OC(=O)C12C3C4C1C1C2C3C41I
MolPort-046-147-455 0.67 Cl.CCC[C@@H](N)CC(O)=O
MolPort-046-594-199 0.67 CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(O)=O
MolPort-046-646-628 0.67 OC(=O)C12CCC(CC1)(C2)C(F)(F)F
MolPort-001-779-687 0.67 CCCCC(N)C(O)=O
MolPort-046-646-654 0.67 Cl.NC1CC2CCC1(C2)C(O)=O
MolPort-000-001-222 0.67 NC(CC(O)=O)C1CC1
MolPort-046-774-795 0.67 COC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O
MolPort-000-002-639 0.67 COC(=O)CC1CCC1
MolPort-046-767-353 0.67 Cl.NC1(CCCC2(CCC2)C1)C(O)=O
MolPort-046-736-715 0.67 OC(=O)C1CCCC2(CC2(F)F)C1
MolPort-046-729-977 0.67 OC(=O)[C@@H]1C[C@H]2C[C@@H]1CC2(F)F
MolPort-046-700-732 0.67 OC(=O)C12CCCC1CC(F)(F)CC2
MolPort-046-699-161 0.67 COC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)C2=O
MolPort-046-698-816 0.67 OC(=O)C12CCC(CC1)(C2)C(F)F
MolPort-046-690-668 0.67 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@H](N)C(O)=O
MolPort-000-653-699 0.67 CC(C)OC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-000-704-547 0.67 [K+].CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C([O-])=O
MolPort-000-706-606 0.67 [Na+].CC1(C)C2CCC(C2)(C([O-])=O)C1=C
MolPort-000-900-562 0.67 OC(=O)CCCCCBr
MolPort-001-741-356 0.67 CC(=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)C12)C(O)=O
MolPort-001-742-316 0.67 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-001-742-556 0.67 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O
MolPort-001-766-429 0.67 CCOC(=O)CC12CC3CC(CC(C3)C1)C2
MolPort-046-646-922 0.67 CCOC(=O)CC1CCCC(C)C1
MolPort-046-146-617 0.67 OC(=O)C1(F)CC11CCCCC1
MolPort-046-024-225 0.67 OC(=O)C1(CC2CC2C1)C#N
MolPort-037-967-006 0.67 OC(=O)CC1CC2(COC2)C1
MolPort-003-725-661 0.67 CCCC[C@@H](N)C(O)=O
MolPort-039-338-304 0.67 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@@H]3O)C(O)=O
MolPort-039-338-114 0.67 CC(=C)[C@@H]1CC[C@@]2(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)C(O)=O
MolPort-003-060-403 0.67 CC(N)C1CC2CCC1C2.OC(=O)C(C(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-039-331-613 0.67 COC(=O)CC1CC(CO)C1
MolPort-003-248-549 0.67 COC(=O)C12C3CCC4C5C3C1C5(C24)C(=O)OC
MolPort-003-658-773 0.67 COC1CCC(=O)CC1
MolPort-039-242-336 0.67 OC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F
MolPort-039-241-834 0.67 CO[C@H]1C[C@H]2CC(=O)C[C@H]2C1
MolPort-039-239-525 0.67 CCOC(=O)C1CCC(CC(O)=O)CC1
MolPort-003-793-993 0.67 Cl.CC(C)C[C@H](N)CC(O)=O
MolPort-002-316-867 0.67 CCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-039-052-637 0.67 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@H]3O)C(O)=O
MolPort-003-824-071 0.67 NC(=O)CCCCC(O)=O
MolPort-038-947-944 0.67 Cl.NCC1(CC(O)=O)CC2CCC1C2
MolPort-003-896-112 0.67 COC(=O)C1CCCC1
MolPort-038-387-507 0.67 Cl.CC1(C)[C@@H]2C[C@H]1[C@@](N)(CC(O)=O)CC2
MolPort-038-387-506 0.67 Cl.CC1(C)[C@H]2CC[C@H](C2)[C@@]1(N)CC(O)=O
MolPort-038-387-505 0.67 Cl.CC1(C)[C@@H]2C[C@H]1[C@@](C)(N)[C@H](C2)C(O)=O
MolPort-003-925-329 0.67 Cl.CC[C@H](C)[C@H](N)CC(O)=O
MolPort-037-975-125 0.67 CC1(CCCCC1(F)F)C(O)=O
MolPort-042-605-888 0.67 CC(C)(C)OC(=O)C1CCC(CC1)C(O)=O
MolPort-042-623-426 0.67 OC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F
MolPort-042-623-864 0.67 Cl.NCC1(O)CCC(CC1)C(O)=O
MolPort-002-801-251 0.67 C[C@H](CCC(O)=O)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-044-854-692 0.67 Cl.CC(N)(C1CC2CCC1C2)C(O)=O
MolPort-044-832-184 0.67 Cl.N[C@@]1(C[C@@H]2CC[C@H]1C2)C(O)=O
MolPort-044-792-070 0.67 COC(=O)C1CC2(CC2)CCC1=O
MolPort-002-485-361 0.67 CCOC(=O)C12CCC(CC1)(CC2)C(O)=O
MolPort-044-739-536 0.67 CCCC(CC(O)=O)C=C
MolPort-044-558-803 0.67 OC(=O)C12CCC(C1)(CCC2)C#N
MolPort-044-558-799 0.67 COC(=O)C12CCC(CO)(C1)CCC2
MolPort-044-558-749 0.67 COC(=O)C12CC(C1)(CCC2)C(=O)OC
MolPort-044-558-746 0.67 COC(=O)C12CC(C1)(CCC2)C(O)=O
MolPort-044-436-101 0.67 Cl.CC(C)CC(C)(N)CC(O)=O
MolPort-002-525-668 0.67 [K+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-002-526-213 0.67 [Na+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-044-198-365 0.67 OC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F
MolPort-044-182-179 0.67 OC(=O)C12[C@@H]3C4C1C1[C@H]2[C@H]3C41Br
MolPort-002-551-760 0.67 OC(=O)C12CC3CC(C1)C(Br)(Br)C(C3)C2
MolPort-044-182-178 0.67 OC(=O)C12[C@@H]3C4C1C1[C@H]2[C@H]3C41I
MolPort-044-182-066 0.67 COC(=O)C12CC(CCO)(C1)C2
MolPort-044-182-030 0.67 Cl.NC12CCC(CC1)(CCC2)C(O)=O
MolPort-044-182-010 0.67 Cl.NCC12CCC(CC1)(C2)C(O)=O
MolPort-002-743-307 0.67 OC(=O)C(Cl)C12CC3CC(C1)CC(C3)(C2)C(Cl)C(O)=O
MolPort-020-004-222 0.67 CC(C)CC[C@@H](N)C(O)=O
MolPort-022-379-815 0.67 COC(=O)C12CCC(CC1)(C2)C(O)=O
MolPort-023-279-254 0.67 CCOC(=O)[C@H]1CC[C@H](CO)CC1
MolPort-013-437-124 0.67 CCC(CC)C[C@H](N)C(O)=O
MolPort-020-096-137 0.67 Cl.CC(C)(CCN)CCC(O)=O
MolPort-023-274-153 0.67 COC(=O)C1(C)CCCC1
MolPort-020-005-960 0.67 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-019-904-105 0.67 CCOC(=O)[C@H]1CC[C@@H](CC1)C(=O)OCC
MolPort-023-298-933 0.67 COC(=O)CC1(O)CCC(=O)CC1
MolPort-023-282-338 0.67 Cl.CCC(N)CCC(O)=O
MolPort-023-334-397 0.67 COC(=O)C12CCC(CC1)(C2)C(=O)OC
MolPort-014-088-289 0.67 CC(C)(C)CCC(N)C(O)=O
MolPort-022-379-806 0.67 COC12CCC(CC1)(C(O)=O)C(=O)C2
MolPort-023-282-318 0.67 Cl.CCCC(N)CC(O)=O
MolPort-016-731-889 0.67 COC(=O)C1CC2CC1C(=O)C2
MolPort-022-365-502 0.67 CC(=C)CCCC(O)=O
MolPort-023-330-901 0.67 CCOC(=O)C12CCC(CC1)(CC2)C(=O)OCC
MolPort-023-314-303 0.67 CCOC(=O)C12CCC(CC1)CC2
MolPort-022-257-215 0.67 NC1(CC(O)=O)CCC1
MolPort-020-664-267 0.67 CC(C)(C)OC(=O)C1CCCCC1
MolPort-024-913-300 0.67 OC(C1CCC(CC1)C(F)(F)F)C(O)=O
MolPort-014-857-069 0.67 CCCC(C)C(N)C(O)=O
MolPort-023-279-357 0.67 CCOC(=O)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-011-284-735 0.67 OC(=O)CCCCCCl
MolPort-021-999-020 0.67 OC(=O)C1CCCC(F)(F)C1
MolPort-021-804-706 0.67 CC1(O)C(O)CCC2(C)CCC(CC12)C(=C)C(O)=O
MolPort-020-014-100 0.67 Cl.NCCCCCC(O)=O
MolPort-022-002-463 0.67 OC(=O)C1CCC2COCCC2C1
MolPort-021-999-021 0.67 OC(=O)C1CCCCC1(F)F
MolPort-023-313-480 0.67 OC(=O)C12CCC(CC1Br)C2
MolPort-035-769-764 0.67 OC(=O)C1(CC2CCC2)CCC(F)(F)CC1
MolPort-028-765-719 0.67 CCOC(=O)C(C)CC1CCCCC1
MolPort-028-766-347 0.67 Cl.CC(C)(C)CC(N)CC(O)=O
MolPort-035-769-763 0.67 OC(=O)C1(CC2CC2)CCC(F)(F)CC1
MolPort-028-766-789 0.67 CCOC(=O)C1(C)CCCCC1
MolPort-028-949-633 0.67 OC(=O)C1(CCCCC1)C(F)F
MolPort-004-340-593 0.67 CC(C)CCC(N)C(O)=O
MolPort-035-718-768 0.67 OC(=O)C12CC3CC(CC(C3)C1(Br)Br)C2
MolPort-006-709-510 0.67 Cl.CC(C)C[C@@H](N)CC(O)=O
MolPort-027-844-870 0.67 Cl.NOCCCCCC(O)=O
MolPort-006-170-419 0.67 Cl.N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(O)=O
MolPort-005-937-218 0.67 CCOC(=O)C1CCCCC1
MolPort-029-508-150 0.67 OC(=O)CC1CCCCC1(F)F
MolPort-027-835-817 0.67 CCOC(=O)CC1CCC(=O)CC1
MolPort-027-835-542 0.67 C[C@]12CCC[C@](C)([C@@H]1CC[C@]13CC(=C)[C@@](O)(C1)CC[C@H]23)C(O)=O
MolPort-029-135-143 0.67 CC1(CCCC(F)(F)C1)C(O)=O
MolPort-005-312-852 0.67 Cl.N[C@]1(C[C@H]2CC[C@@H]1C2)C(O)=O
MolPort-005-312-845 0.67 Cl.N[C@@]1(C[C@H]2CC[C@@H]1C2)C(O)=O
MolPort-005-945-582 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@@]34C)C12)C(O)=O
MolPort-035-706-376 0.67 CC(=C)[C@@H]1CC[C@@]2(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)C(O)=O
MolPort-006-126-381 0.67 CC(C)CC[C@H](N)C(O)=O
MolPort-004-793-935 0.67 CC(C)[C@@]1(C[C@H]1C(O)=O)C(O)=O
MolPort-008-154-523 0.67 CCOC(=O)CC12CC3CC(C1)CC(CC(=O)OCC)(C3)C2
MolPort-030-004-928 0.67 CCOC(=O)CC(C)C1CCCCC1
MolPort-027-949-345 0.67 Cl.CCC[C@H](N)CC(O)=O
MolPort-004-350-369 0.67 CC(C)CCC(C)(N)C(O)=O
MolPort-004-323-761 0.67 OC(=O)C1CCCCC1C(F)(F)F
MolPort-003-991-785 0.67 OC(=O)C1(CCCCC1)C(F)(F)F
MolPort-028-748-180 0.67 CCOC(=O)C1CCC(CO)CC1
MolPort-029-671-885 0.67 CCOC1CCC(CC1)C(O)=O
MolPort-020-916-585 0.67 CC(N)(CC(O)=O)C1CC1
MolPort-035-942-331 0.67 COC(=O)C12CC(CC(O)=O)(C1)C2
MolPort-046-419-580 0.67 CCOC(=O)CC1CCC(C)CC1
MolPort-046-593-606 0.67 CCOC(=O)C12CC3CC(CC(CC)(C3)C1)C2
MolPort-001-781-605 0.67 OCCCCC=O
MolPort-046-592-163 0.67 CCOC(=O)C[C@H]1CC[C@H](O)CC1
MolPort-046-510-555 0.67 Cl.N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(O)=O
MolPort-046-510-551 0.67 COC(=O)C1C2CCC(C2)C1=O
MolPort-046-510-484 0.67 O[C@@H]1C[C@]2(C[C@@H]12)C(O)=O
MolPort-046-509-984 0.67 COC(=O)C1CC2(CCC2)CCC1=O
MolPort-046-508-554 0.67 OC(=O)C1(CC2CCC1CC2)C(F)(F)F
MolPort-046-430-723 0.67 Cl.NCC1(CC2CCC1C2)C(O)=O
MolPort-046-419-546 0.67 CC1(C)CCC(F)(F)CC1C(O)=O
MolPort-046-141-988 0.67 Cl.NC(C1CC2CCC1C2)C(O)=O
MCULE-3253653896 0.66 CCC1CCC(C(C(O)=O)N)CCC1
MCULE-2537921032 0.66 C(OC)(=O)CC(CCCCCCC)O
MCULE-6470493117 0.66 C(CC(OC)=O)(CCCCCCCCCCCCCCCCC)=O
MCULE-1164216654 0.66 CCC1C(CC(O)=O)(N)CCCCC1
MCULE-6544324630 0.66 O=C([C@@H](CC1CCCC1)N)O
MCULE-6863642158 0.66 C12(CC3(C1)CC(C3)(F)F)CC(C2)C(O)=O
MCULE-5816483960 0.66 O=C([C@@H](CCC[C@@H](C(=O)O)N)N)O
MCULE-9403207163 0.66 Cl.C(O)(=O)CC(CCCCC(C)(C)C)N
MCULE-5502435894 0.66 C(CCCCCCCCCCOCCCC)(O)=O
MCULE-8995113646 0.66 C(OC)(=O)CC(CCCCCC)O
MCULE-7173180110 0.66 O=C1CCC2(CCOCC2)CC1
MCULE-1391706498 0.66 C(O)(=O)[C@@H](N)C1CCCC1
MCULE-1837052174 0.66 COC(CC1CC(=O)CC1)=O
MCULE-4895569973 0.66 O=C(C[C@H](CCCCN)N)O
MCULE-5447481000 0.66 C(O)(=O)[C@@H](N)C1CCCC1
MCULE-5493935992 0.66 O=C([C@H](CC1CCC1)N)O
MCULE-3225528393 0.66 N[C@@H](C(O)=O)CC1CCC1
MCULE-6251475162 0.66 C(O)(C(CCCCCCCCCC)Cl)=O
MCULE-7175082744 0.66 CCOC1CCC(C(C)=O)CC1
MCULE-4540266032 0.66 C(O)(=O)CC1CCCC1C=C
MCULE-3355871339 0.66 COCC(C12CCCCC1C2)=O
MCULE-5740343629 0.66 OC(C1(CCCC1)CCC#N)=O
MCULE-7281525757 0.66 C1(C)(C)C(CCC1=C)CC(O)=O
MCULE-6509526380 0.66 C1(Cl)(Cl)C2C1CCC1C(C(O)=O)C1CC2
MCULE-6557238042 0.66 OC(=O)C[C@H](N)CCCCN
MCULE-1201467765 0.66 C1CC[C@@](N)(C)[C@@H]1C(=O)O
MCULE-7896473287 0.66 C(O)(=O)C(N)CC1(C)CCC1
MCULE-5486459234 0.66 OC(C1(CC2(CCC2)C1)CC=C)=O
MCULE-7875245052 0.66 CCCCC(C(=O)O)(CBr)CCCC
MCULE-6173724848 0.66 CC1(CCC1)CC(C(O)=O)C#N
MCULE-8809585162 0.66 CC(C(O)=O)CC1(C#N)CCCC1
MCULE-4500600149 0.66 COCC1CC(=O)C(C2CCCCC2)C1
MCULE-6964253676 0.66 NC(C(O)=O)(C1CCCCCC1)[H]
MCULE-2660751861 0.66 C(N)(=O)[C@H]1CCCC[C@@H]1CO
MCULE-2058547373 0.66 C1(C(OC)=O)CCCCCCC1=O
MCULE-1825870909 0.66 C1(O)CCCC(C(=O)OC)CC1
MCULE-4326243906 0.66 C(O)(=O)C[C@H]1CC[C@@H](N)C1
MCULE-2441269867 0.66 CCCCC(=O)CC(=O)OC
MCULE-5072075224 0.66 CCCCCCCCCCCC(CC(OC)=O)=O
MCULE-6361053218 0.66 OC(C1(CC2(CCC2)C1)CC#N)=O
MCULE-5584613241 0.66 O=C(OC)C1CCCC(=O)CC1
MCULE-8199888617 0.66 OC(C1(CC2(CCC2)C1)CCC#N)=O
MCULE-5336927273 0.66 Cl.NC1C(C(O)=O)CCCCCC1
MCULE-6498749639 0.66 C(O)(=O)C1(CCCCCC1)N
MCULE-6869739290 0.66 CC(C1(C(O)=O)CC2(CCC2)C1)C#N
MCULE-8658949846 0.66 C(O)(=O)C(N)CC1(CCCC1)C
MCULE-2078695461 0.66 N[C@@H](C(O)=O)C1CCCC1
MCULE-9104583730 0.66 C1CC(C(=O)Cl)CCC1O
MCULE-2021631405 0.66 C1C(CCC1)C[C@@H](N)C(=O)O
MCULE-9953817877 0.66 C(N)(=O)C1(CCCCC1)O
MCULE-5199298661 0.66 C(O)(C(CCCC(N)C(O)=O)N)=O
MCULE-5280016961 0.66 Cl.C(C1(CCCC1)N)C(O)=O
MCULE-2125409231 0.66 CC1C(C(C(O)=O)N)CC1
MCULE-2307775803 0.66 OC(C(C1CCCCCC1)CC#N)=O
MCULE-3532642872 0.66 C(Br)(C(=O)O)CCCCCC
MCULE-8612961366 0.66 C(CC(Br)C(=O)O)CCCCCCCC
MCULE-3899756907 0.66 CC1C(C(O)=O)(N)CCCCC1
MCULE-5047268774 0.66 N[C@H](C(O)=O)CC1CCCCCC1
MCULE-8653180254 0.66 CCC1C(C(O)=O)(N)CCCCC1
MCULE-3902636802 0.66 NC1CCC(C(O)=O)CCC1
MCULE-2131112988 0.66 [H]C12CC(O)CCC1(C)C1C(C(C3(C)CCCC3C1CC2)Br)=O
MCULE-9931729756 0.66 Cl.NC1(CCCC1)CCC(O)=O
MCULE-1482788952 0.66 C(O)(=O)[C@@H](N)CC1CCCC1
MCULE-9178941791 0.66 C(O)(=O)[C@@H](N)CCC[C@H](N)C(O)=O
MCULE-7727339831 0.66 [C@]12(C)CCC(C[C@]1([H])CCC[C@@H]2OC(C)(C)C)=O
MCULE-4407848265 0.66 C(O)(=O)[C@@H](N)C1CCCCCC1
MCULE-6040282813 0.66 CC1C(CC(O)=O)(CN)CCCCC1
MCULE-9620760873 0.66 NC1CC2(C(C(O)=O)C2)C1
MCULE-4167388701 0.66 CC(C(N)=O)(CC1CCCCC1)O
MCULE-3104849245 0.66 COCC(C1CC2C(C2)CC1)=O
MCULE-6494985992 0.66 C(C1(CCCCCC1)N)C(O)=O
MCULE-3464452747 0.66 OC(C(C1CCCCCC1)CC#C)=O
MCULE-9153189731 0.66 C(C(=O)OC)C(=O)CCCCC
MCULE-1857723811 0.66 COC(=O)CCC(C(=O)C)(C(=O)C)CCC(=O)OC
MCULE-5982502083 0.66 C(F)(F)(F)C1CCCC(CC1)C(O)=O
MCULE-4458229393 0.66 CC(C(O)=O)(CC1(C#N)CCCC1)C
MCULE-9860325462 0.66 CC1(CCC(C(C(O)=O)N)CCC1)C
MCULE-5841143341 0.66 C(O)(=O)CC(CCC(C)C)C1CCOC(C)(C)C1
MCULE-7473428983 0.66 C1(CCC1)C[C@H](C(O)=O)N
MCULE-2328409868 0.66 [C@H]1(CCCCC[C@@H]1N)C(O)=O
MCULE-6506920454 0.66 CC1(CCCCCC1)CC(C(O)=O)N
MCULE-4746404302 0.66 OC(CC1C(C#N)CCCCC1)=O
MCULE-4148753420 0.66 CC1(C(C(O)=O)(N)CCC1)C
MCULE-4558043546 0.66 NCC(C1CCCCCC1)CC(O)=O
MCULE-2978290222 0.66 [C@@]1(C)(O)C[C@]2([H])[C@]([H])(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)CBr)CC3)CC2
MCULE-8845272793 0.66 C1(OC)(OC)CCC(CC1)(C)C=O
MCULE-1270213641 0.66 [H]C12CC(O)CCC1(C)C1CCC3(C)C(CCC3C1CC2)C(CCl)=O
MCULE-9699134683 0.66 NC(C1CCC(O)CC1)=O
MCULE-3570546900 0.66 Cl.C([C@H](C)CCC)[C@H](N)CC(=O)O
MCULE-9787960494 0.66 NC1C(C(O)=O)CCCCC1
MCULE-3826423310 0.66 CC1C(C(C(O)=O)N)CCC1
MCULE-6813238671 0.66 C[C@@]1([C@@H](C(O)=O)CCC1)N
MCULE-9996510127 0.66 CCCCCC(C(OC)=O)O
MCULE-4763840764 0.66 [C@H](N)(CC(C)C)[C@@H](O)CC(=O)O
MCULE-6109069950 0.66 C1(C)(CCC(C)C1(C)C)C(N)C(O)=O
MCULE-7381133772 0.66 NCC(C1CCCC1)CC(O)=O
MCULE-1059032279 0.66 CC1(C(C(C(O)=O)N)CC1)C
MCULE-2144218878 0.66 C1(N)(CCC1CC(C)C)C(O)=O
MCULE-6087735419 0.66 CC1C(C)C(C(C(O)=O)N)C1
MCULE-4649212497 0.66 C1(N)(CCC1C(C)C)C(O)=O
MCULE-5686011680 0.66 CC(C1(C(O)=O)CCCC1)C#N
MCULE-7575475676 0.66 C(C(CCCCCCCCCCCCCCCCCCCCCCCC)C(OC)=O)(CCCCCCCCCCCCCCCCC)=O
MCULE-6663642194 0.66 C(F)(F)(F)C1CCC(CC(O)=O)C1
MCULE-2391452296 0.66 C(C(Br)CCCCCCCCCCCCCCCC)(=O)O
MCULE-6826157248 0.66 CC(C1CCCC1)C(C(O)=O)N
MCULE-7726386118 0.66 CCC1CC(C(C(O)=O)N)CC1
MCULE-3103366736 0.66 CC1C(C(C(O)=O)N)CCCCC1
MCULE-8846990332 0.66 CCC(C(O)=O)C1C(C#N)CCCCC1
MCULE-1478286048 0.66 CC(C(O)=O)C1C(C#N)CCCCC1
MCULE-8571907005 0.66 OC(C(C#N)CC1CCCC1)=O
MCULE-5000959394 0.66 CC1(C(C(C(O)=O)N)CCC1)C
MCULE-2463480739 0.66 C1(CCC(=O)OC)CCC(CCC(=O)OC)C1=O
MCULE-6781577524 0.66 N[C@H]1[C@@H](C(O)=O)CCCCC1
MCULE-6730398470 0.66 [C@H]1(C(C)C(OC)OC)[C@]2(C)[C@]([H])(C(=O)CCC2)CC1
MCULE-1747031827 0.66 O=C(C[C@@H](C1CCCC1)N)O
MCULE-4983113984 0.66 O=C(C[C@@H](C1CCCC1)N)O
MCULE-5810914871 0.66 CC(C1CC(C(C(O)=O)N)C1)C
MCULE-1678135453 0.66 C(O)(=O)[C@H](N)C1CCCCCC1
MCULE-5987419122 0.66 NC(C(O)=O)C1C2(CCCC2)CCC1
MCULE-6751592705 0.66 CC(C1C(C(O)=O)(N)CCCCC1)C
MCULE-2017269821 0.66 CCC1C(C(C(O)=O)N)CCC1
MCULE-7643030276 0.66 CCCC(C(C(OC)=O)CC)=O
MCULE-1347634014 0.66 NC1(C(O)=O)C2(CCCC2)CCC1
MCULE-7381741678 0.66 CC(C1(C(O)=O)CCCC1)CC#N
MCULE-8672377473 0.66 CC(C1(C(C)CCCCC1)CC(O)=O)N
MCULE-2176026005 0.66 CC(C#N)CC1(C(O)=O)CC2(CCC2)C1
MCULE-3617659966 0.66 CC(C#N)CC1(C(O)=O)CCCC1
MCULE-1281798006 0.66 CC(C1C(C)C1)C(C(O)=O)N
MCULE-8147347929 0.66 CC1C(CC(O)=O)(N)CCCCC1
MCULE-2881988382 0.66 C1(CCC(=O)C1CCCCCC)CC(OC)=O
MCULE-3590869361 0.66 CCC1CCC(C(=O)O)(N)CCC1
MCULE-7133646475 0.66 CCC(C1(C(O)=O)CCCC1)C#N
MCULE-2178920420 0.66 [H]Cl.C(O)(C(CCCCCCC(N)C(O)=O)N)=O
MCULE-6588922691 0.66 CC1CCC(C(C(O)=O)N)CCC1
MCULE-7369815810 0.66 CC(C1C(C)(C)C1)C(C(O)=O)N
MCULE-7838789761 0.66 NCC(C(O)=O)C1CCCCCC1
MCULE-3286535810 0.66 N[C@H]1[C@H](CC(O)=O)CCC1
MCULE-9776971923 0.66 C1(N)(CC2(C1)CCC2)C(O)=O
MCULE-8151358815 0.66 Cl.CC(CCCC(C(O)=O)N)C
MCULE-8634212101 0.66 OC(C1(C2C(C#N)CCC2)CCCC1)=O
MCULE-7977504834 0.66 C(C(C(C(C(C(=O)[O-])([H])O)([H])O)(O)[H])([H])O)([H])(O)CO.[Na+]
MCULE-7360704360 0.66 C12(C(OC)=O)CC3(C1(C)CCC23)C
MCULE-5134436367 0.66 NC[C@@H]1[C@H](C(O)=O)CCC1
MCULE-3578421065 0.66 CC(C1CCC(C(C(O)=O)N)CCC1)C
MCULE-9782664150 0.66 CC1(CCCC1)CC(C(O)=O)C#N
MCULE-4899000866 0.66 N[C@@H](C(O)=O)C1CCCCCC1
MCULE-8940474669 0.66 CC(C1C(C(C(O)=O)N)CCCCC1)C
MCULE-4350890929 0.66 CC(C1C(CC(O)=O)(N)CCCCC1)C
MCULE-5410436039 0.66 C1CCCCCC1[C@H](N)C(O)=O
MCULE-3237561836 0.66 CC(C(C(O)=O)C1C(C#N)CCC1)(C)C
MCULE-4897671618 0.66 OC(CCC1CC(F)(F)C1)=O
MCULE-1629879782 0.66 CC(C1CCCCC1)(C(=O)N)O
MCULE-2119804699 0.66 OC(C1(CC2(CCC2)C1)CC#C)=O
MCULE-8765905101 0.66 CCC(C(O)=O)C1C(C#N)CCC1
MCULE-6105174280 0.66 COCC(C12CCCC1C2)=O
MCULE-8725871067 0.66 NC(C(C1C2CCC(CC2)C1)O)=O
MCULE-2875319960 0.66 CC(C#N)(CC1(C(O)=O)CCCC1)C
MCULE-3458656058 0.66 C(O)(=O)C(N)(C)CCCC(O)(C)C
MCULE-4320236955 0.66 C1(C(C)CCC1)(C(O)=O)N
MCULE-7746486136 0.66 NC(C(O)=O)C1CCCC1
MCULE-4991554039 0.66 NC(C1CCCC1)CC(O)=O
MCULE-5875335902 0.66 NC(C1CCCCCC1)CC(O)=O
MCULE-7597345136 0.66 C1(CCC(=O)C1CCCCC)CC(OC)=O
MCULE-9122347882 0.66 CC1CC(C(C(O)=O)N)CC1
MCULE-8118301255 0.66 O=C([C@H](CC1CCCC1)N)O
MCULE-8213454175 0.66 CC(C(O)=O)(C1C(C#N)CCC1)C
MCULE-6589889254 0.66 C1(C)(C)C(C(OC)=O)CCC1(C)C(C)=O
MCULE-7949985152 0.66 CCC(C(O)=O)(C1C(C#N)CCC1)C
MCULE-2248006678 0.66 CC(C(O)=O)(C1C(C#N)CCCCC1)C
MCULE-7395520247 0.66 NC(C(C1C2CC3CC(C2)CC1C3)O)=O
MCULE-6227926193 0.66 CC1C(C(C(O)=O)N)CC(C)(C)C1
MCULE-9953013218 0.66 CC(C1(C(O)=O)CC2(CCC2)C1)CC#N
MCULE-5116207163 0.66 C1(C)(CCC(C1(C)C)C#N)C(O)=O
MCULE-8170771609 0.66 NCC(C(O)=O)CC1CCCC1
MCULE-4422379159 0.66 CCC(C1(C(O)=O)CC2(CCC2)C1)C#N
MCULE-7548517913 0.66 C1(CCCC1)[C@@H](N)C(=O)O
MCULE-2317645071 0.66 C(OC)(=O)CC(CCCCCCCCC)O
MCULE-1327121373 0.66 CC(CC1(C(O)=O)CC2(CCC2)C1)=C
MCULE-9354812125 0.66 OC(C1(CC2(CCC2)C1)CCC#C)=O
MCULE-3205869415 0.66 COC(C1CC2C(C2)CC1)C=O
MCULE-2760507555 0.66 COC(C1CC2C(C2)C1)C=O
MCULE-3226429169 0.66 C1(C)(C)C(=O)CCC1CC(OC)=O
MCULE-3067113283 0.66 OC(CCCC1CCOCC1)=O
MCULE-7882893215 0.66 COCC([C@H]1C[C@@H]2[C@@H](C2)C1)=O
MCULE-4504908507 0.66 NC(C(O)=O)CC1CCC1
MCULE-6606934964 0.66 OC(C(C1CCCC1)CC#N)=O
MCULE-2960259305 0.66 C12(CC(C1)(F)F)CC(C2)C(O)=O
MCULE-7943083245 0.66 CCCCCC1C(CC(OC)=O)CCC1O
MCULE-4656880925 0.66 [C@]12(C)CCC(C[C@]1([H])CCC1C2CC[C@]2(C1CCC2=O)C)(OC)OC
MCULE-2124720658 0.66 CC1(CC(C(C(O)=O)N)CC1)C
MCULE-1590671335 0.66 OC(C1(CC1)CC1(C#N)CC1)=O
MCULE-3692173566 0.66 CC1CC(CC(O)=O)(CN)CC1
MCULE-6703111524 0.66 Cl.CCCCCCCC(CC(O)=O)N
MCULE-4617598220 0.66 CC(C1(C(O)=O)CC2(CCC2)C1)C=C
MCULE-7233028696 0.66 CCC1C(C(C(O)=O)N)CCCCC1
MCULE-7613431163 0.66 C(C(Br)CCCCCCCCCCCCCC)(=O)O
MCULE-5146855835 0.66 COC1(C=O)CC2CC(CC2)C1
MCULE-4651434629 0.66 [C@H](N)(CC(C)C)[C@@H](O)CC(=O)O
MCULE-2163317596 0.66 Cl.CC(CCC(C(O)=O)CCN)(C)C
MCULE-9140219549 0.66 C12(CC3CC(O)(CC(C3)C1)C2)C(N)=O
MCULE-2587536527 0.66 COCC(C1C2C(C2)CCC1)=O
MCULE-8763571530 0.66 C(CCCN)[C@H](N)CC(=O)O
MCULE-2653718099 0.66 C12(CC(C1)C2)CC(N)C(O)=O
MolPort-006-114-347 0.66 CCCCC[C@@H]1[C@@H](CC(=O)OC)CCC1=O
MolPort-044-562-457 0.66 CCCCCC[C@@H](O)CC(=O)OC
MolPort-000-704-661 0.66 CCCCCCC1C(CC(=O)OC)CCC1=O
MolPort-021-452-638 0.66 NC1(CC(O)=O)CCCCCC1
MolPort-044-562-452 0.66 CCCC[C@@H](O)CC(=O)OC
MolPort-002-506-946 0.66 CCCCCC1C(CC(=O)OC)CCC1=O
MolPort-046-764-482 0.66 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC(=C)[C@]34C)[C@@H]1CCC2=O
MolPort-002-507-076 0.66 NC(CCCC(N)C(O)=O)C(O)=O
MolPort-046-673-077 0.66 CCCCCC12CC(C1)(C2)C(N)C(O)=O
MolPort-002-507-337 0.66 CC(C)CCC(CC(O)=O)C1CCOC(C)(C)C1
MolPort-002-509-838 0.66 CCCCCC1C(O)CCC1CC(=O)OC
MolPort-016-637-720 0.66 CCC(=O)C(CCC(=O)OC)C(=O)CC
MolPort-046-673-490 0.66 COC12CCC(CC1)(C2)C=O
MolPort-002-516-386 0.66 COC1(CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1)OC
MolPort-044-436-154 0.66 Cl.CC(C)CCCC(N)C(O)=O
MolPort-046-673-078 0.66 CC(C)CCC12CC(C1)(C2)C(N)C(O)=O
MolPort-044-756-132 0.66 CCCCCCC(O)CC(=O)OC
MolPort-046-672-913 0.66 CCC(CC)C12CC(C1)(C2)C(N)C(O)=O
MolPort-006-120-012 0.66 [Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O
MolPort-001-837-506 0.66 COC(=O)CCC(CCC(=O)OC)(C(C)=O)C(C)=O
MolPort-027-948-671 0.66 CCCCC(CBr)(CCCC)C(O)=O
MolPort-002-053-418 0.66 NC(CC(O)=O)C1CCCC1
MolPort-046-148-244 0.66 COC(=O)CC1CC(=O)C1(C)C
MolPort-002-054-307 0.66 Cl.N[C@@H]1CCCCCC[C@@H]1C(O)=O
MolPort-046-147-988 0.66 COC(=O)CC1CC(O)C1(C)C
MolPort-046-146-752 0.66 OC(=O)CCC(=O)CCC#C
MolPort-046-141-302 0.66 Cl.NC1(CCC(O)=O)CCCC1
MolPort-046-141-163 0.66 Cl.CC(C)(C)CCC(CCN)C(O)=O
MolPort-000-835-107 0.66 CC(C)C(CC(O)=O)C1CCOC(C)(C)C1
MolPort-019-904-905 0.66 COC(=O)C1CCCCCCC1=O
MolPort-046-767-476 0.66 [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O
MolPort-045-968-514 0.66 Cl.CC(C)(C)CCCCC(N)CC(O)=O
MolPort-046-672-910 0.66 CC(C)CC12CC(C1)(C2)C(N)C(O)=O
MolPort-006-118-688 0.66 CCCCCC(O)CC(=O)OC
MolPort-044-831-889 0.66 OC(=O)C1(CCC1)C1(CCC1)C=C
MolPort-019-878-367 0.66 NC(C1CCCCCC1)C(O)=O
MolPort-046-672-724 0.66 CCC(C)C12CC(C1)(C2)C(N)C(O)=O
MolPort-046-672-725 0.66 CCCCC12CC(C1)(C2)C(N)C(O)=O
MolPort-046-672-906 0.66 CCC12CC(C1)(C2)C(N)C(O)=O
MolPort-044-756-133 0.66 CCCCCCCCC[C@@H](O)CC(=O)OC
MolPort-016-631-666 0.66 OC(=O)C1C2CCC3C(CCC12)C3(Cl)Cl
MolPort-046-672-907 0.66 CCCC12CC(C1)(C2)C(N)C(O)=O
MolPort-046-672-908 0.66 CC(C)C12CC(C1)(C2)C(N)C(O)=O
MolPort-046-672-909 0.66 NC(C(O)=O)C12CC(C1)(C2)C1CCC1
MolPort-044-723-964 0.66 [Na+].OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C([O-])=O
MolPort-022-465-248 0.66 NCC(C1CCCC1)C(O)=O
MolPort-029-079-114 0.66 COC(=O)C[C@@H]1CC[C@H](O)C1
MolPort-044-204-359 0.66 Cl.CCCCCCCC(N)CC(O)=O
MolPort-003-959-566 0.66 CC(C)C[C@H](N)[C@@H](O)CC(O)=O
MolPort-004-769-150 0.66 OC(=O)C1(CC=C)CCCC1
MolPort-038-387-483 0.66 Cl.CCCCCC(N)CC(O)=O
MolPort-004-767-709 0.66 NC(=O)C1CCC(O)CC1
MolPort-004-766-929 0.66 CCOC1CCC(CC1)C=O
MolPort-038-387-361 0.66 C[C@]1(N)CCC[C@H]1C(O)=O
MolPort-003-925-846 0.66 CCCCC(=O)CC(=O)OC
MolPort-004-346-367 0.66 NC(C1CCCC1)C(O)=O
MolPort-003-927-054 0.66 CCCCCCCCCCC(Br)C(O)=O
MolPort-035-882-141 0.66 CCCCCCCCCCCC(O)CC(=O)OC
MolPort-003-931-518 0.66 NC(CC1CCCC1)C(O)=O
MolPort-003-931-604 0.66 Cl.NC1(CC(O)=O)CCCC1
MolPort-035-681-708 0.66 COC(=O)C1CCCC(=O)CC1
MolPort-020-249-284 0.66 NC(CC1CCC1)C(O)=O
MolPort-004-769-347 0.66 N[C@H]1CCCCC[C@H]1C(O)=O
MolPort-035-789-605 0.66 COCCC(CCCC(O)=O)C(O)=O
MolPort-035-777-671 0.66 COC(=O)CC(=O)CCC(C)C
MolPort-035-775-186 0.66 OC(=O)C1CC2(C1)CC(F)(F)C2
MolPort-035-775-120 0.66 OC(=O)C1CC2CC(F)(F)CC2C1
MolPort-003-941-664 0.66 CCCCCCCCCCCCCC(O)CC(=O)OC
MolPort-023-279-415 0.66 N[C@H](CC1CCC1)C(O)=O
MolPort-046-701-304 0.66 NC(=O)[C@@H]1CC[C@H](O)CC1
MolPort-003-941-645 0.66 CCCCCCCCCC(O)CC(=O)OC
MolPort-012-844-129 0.66 COC1(CCCCCCC1)C(O)=O
MolPort-035-706-381 0.66 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-012-675-656 0.66 NC(=O)C1(O)CCCCC1
MolPort-012-675-152 0.66 CCCCCC(O)C(=O)OC
MolPort-038-387-484 0.66 Cl.CCCCCCC(N)CC(O)=O
MolPort-038-387-488 0.66 Cl.NC1(CC(O)=O)CCCCCCC1
MolPort-044-183-211 0.66 COC(=O)C[C@H]1CCC(=O)C1
MolPort-005-938-159 0.66 CCCC(=O)C(CC)C(=O)OC
MolPort-044-183-210 0.66 COC(=O)C[C@@H]1CCC(=O)C1
MolPort-044-183-206 0.66 COC(=O)C[C@H]1CC[C@@H](O)C1
MolPort-044-183-205 0.66 COC(=O)C[C@H]1CC[C@H](O)C1
MolPort-044-183-204 0.66 COC(=O)C[C@@H]1CC[C@@H](O)C1
MolPort-002-799-649 0.66 CC(C)(C)O[C@H]1CCC[C@H]2CC(=O)CC[C@]12C
MolPort-046-672-045 0.66 C[C@@H](CC1CC(F)(F)C1)C(O)=O
MolPort-042-652-449 0.66 N[C@H](C1CCCCCC1)C(O)=O
MolPort-042-650-328 0.66 OC(=O)CCC1CC(F)(F)C1
MolPort-023-160-279 0.66 O=C1CCC2(CCOCC2)CC1
MolPort-005-944-220 0.66 OC(=O)CCC(CCCCCCC=C)C(O)=O
MolPort-042-620-611 0.66 CCCCCCC(F)C(O)=O
MolPort-023-162-179 0.66 Cl.NC1CCCCCCC1C(O)=O
MolPort-005-938-037 0.66 CCCCCCC(C(C)=O)C(=O)OC
MolPort-046-683-047 0.66 N[C@H]1CCCCC[C@H]1C(O)=O.N[C@@H]1CCCCC[C@@H]1C(O)=O
MolPort-002-916-123 0.66 COC(=O)CCC1CCC(CCC(=O)OC)C1=O
MolPort-005-934-258 0.66 N[C@H](CC1CCCC1)C(O)=O
MolPort-046-676-356 0.66 CO[C@@H]1C[C@H]2C[C@@H]1CC2=O
MolPort-021-277-554 0.66 O=C1CCCC(C1)C1CCOCC1
MolPort-003-847-816 0.66 CCCCCCC[C@@H](O)CC(=O)OC
MolPort-003-847-959 0.66 CCCCCCCCCCC[C@@H](O)CC(=O)OC
MolPort-003-849-029 0.66 CCCCCCCC(=O)CC(=O)OC
MolPort-003-849-035 0.66 CCCCCCCCCCCC(=O)CC(=O)OC
MolPort-046-763-826 0.66 COC(OC)[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]12C
MolPort-029-760-047 0.66 NC1(CCCC11CCCC1)C(O)=O
MolPort-046-676-675 0.66 OC(=O)C12CC(CCC(F)(F)F)(C1)C2
MolPort-046-683-046 0.66 C[C@@]1(N)CCC[C@@H]1C(O)=O.C[C@]1(N)CCC[C@H]1C(O)=O
MolPort-046-203-128 0.66 COC(=O)C1CCCCCCCCC1=O
MolPort-035-748-785 0.66 COC(=O)CC1CCC(=O)C1C
MolPort-001-783-269 0.66 CCCCCCCCCCCCC(Br)C(O)=O
MolPort-046-658-569 0.66 C[C@H](CCC1CCOCC1)C(O)=O
MolPort-008-268-118 0.66 NCCCC[C@H](N)CC(O)=O
MolPort-046-426-539 0.66 CCCCCCCCCCCCCCC(O)CC(=O)OC
MolPort-046-426-537 0.66 CCCCCCCCC(O)CC(=O)OC
MolPort-021-804-772 0.66 OC(=O)CCC(CCCCCCCCC=C)C(O)=O
MolPort-001-769-662 0.66 CCCCCCCCCCCCCCCCC(Br)C(O)=O
MolPort-046-203-643 0.66 COC(=O)CC1CC(O)C11CCC1
MolPort-046-651-326 0.66 C[C@H](CC1CC(F)(F)C1)C(O)=O
MolPort-000-000-293 0.66 NC1(CCCCCC1)C(O)=O
MolPort-026-972-624 0.66 OC(=O)C1(CC#C)CCCC1
MolPort-023-334-224 0.66 N[C@@H](CC1CCC1)C(O)=O
MolPort-006-333-780 0.66 NC(=O)C12CC3CC(CC(O)(C3)C1)C2
MolPort-023-333-014 0.66 COC(=O)CC1CCC(=O)C1
MolPort-020-988-108 0.66 OC(=O)CCCC1CCOCC1
MolPort-046-418-925 0.66 Cl.CCC[C@@H](C)C[C@H](N)CC(O)=O
MolPort-001-792-050 0.66 CCCCCCC(Br)C(O)=O
MolPort-000-001-010 0.66 N[C@@H](CC1CCCC1)C(O)=O
MolPort-026-626-377 0.66 CCC1CCCC(N)(CC1)C(O)=O
MolPort-000-000-943 0.66 N[C@@H](C1CCCC1)C(O)=O
MolPort-000-000-942 0.66 N[C@H](C1CCCC1)C(O)=O
MolPort-046-426-540 0.66 CCCCCCCCCCCCCCCC(O)CC(=O)OC
MolPort-046-204-080 0.66 COC(=O)CC1CC(=O)C11CCC1
MolPort-027-631-927 0.66 CC1(C)CCCC1(N)C(O)=O
MolPort-025-485-028 0.66 CCCCC(=O)C(C)C(=O)OC
MolPort-001-759-724 0.66 CCCCCCCCCCCCCCC(Br)C(O)=O
MolPort-046-594-042 0.66 O.O.[Na+].OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O
MolPort-046-653-355 0.66 C[C@@H](CCC1CCOCC1)C(O)=O
MolPort-023-221-882 0.65 OC[C@@H](O)[C@H](O)[C@H](O)CC=O
MolPort-003-794-825 0.65 CCCC(N)(CCC)C(O)=O
MolPort-044-561-366 0.65 OC[C@@H](O)[C@H](O)CC(=O)C=O
MolPort-002-317-302 0.65 OC[C@@H](O)[C@@H](O)[C@H](O)CC=O
MolPort-039-012-927 0.65 OC[C@@H](O)[C@@H](O)CC(=O)C=O
MolPort-019-991-700 0.65 OC(=O)C(=O)C1CC1
MolPort-028-750-609 0.65 C[C@H](CCC(O)=O)C(O)=O
MolPort-001-768-068 0.65 CC(CC(O)=O)CC(O)=O
MolPort-006-170-268 0.65 [K+].OCCCCC([O-])=O
MolPort-000-004-514 0.65 [Na+].CC(C)CC(=O)C([O-])=O
MolPort-014-557-366 0.65 CC(O)(C1CC1)C(O)=O
MolPort-000-004-339 0.65 OC(=O)C1(O)CCC1
MolPort-046-764-848 0.65 [Na+].[2H]C([2H])([2H])C([2H])(CC(=O)C([O-])=O)C([2H])([2H])[2H]
MolPort-021-996-256 0.65 OC(=O)CC1(O)CC1
MolPort-046-792-985 0.65 [2H]C([2H])(CC([2H])([2H])C(O)=O)C(O)=O
MolPort-046-792-759 0.65 [Ca++].CC(C)CC(=O)C([O-])=O
MolPort-030-004-547 0.65 OC(=O)C12CC(O)(C1)C2
MolPort-020-008-542 0.65 OCC1(CCC1)C(O)=O
MolPort-016-578-700 0.65 OCC1(CC(O)=O)CC1
MolPort-003-847-605 0.65 O[13C](=O)CCC[13C](O)=O
MolPort-001-783-825 0.65 CCCC(C(O)=O)C(O)=O
MolPort-027-835-663 0.65 OCC1CC(C1)C(O)=O
MolPort-039-240-394 0.65 [K+].[O-]C(=O)C12CC1C2
MolPort-000-876-904 0.65 OC(=O)C1CC(=O)C1
MolPort-023-314-188 0.65 OC(=O)CC(CC(O)=O)CC(O)=O
MolPort-030-085-818 0.65 CC1(CC(=O)C1)C(O)=O
MolPort-028-765-706 0.65 [K+].CC(C)(O)CCC([O-])=O
MolPort-003-657-454 0.65 CCC(C)(CC(O)=O)C(O)=O
MolPort-028-754-185 0.65 [Ca++].CC(C)CC(O)C([O-])=O.CC(C)C[C@H](O)C([O-])=O
MolPort-044-422-184 0.65 [Li+].CC(C)(CCCO)C([O-])=O
MolPort-030-004-890 0.65 [Na+].CC(O)CCC([O-])=O
MolPort-002-501-827 0.65 CC(C)(CCC(O)=O)C(O)=O
MolPort-001-781-498 0.65 CC(C)(CC(O)=O)CC(O)=O
MolPort-002-371-056 0.65 CC(CC(C)C(O)=O)C(O)=O
MolPort-046-141-980 0.65 CC1(C)CC(O)(C1)C(O)=O
MolPort-019-906-270 0.65 O[C@H]1C[C@@H](C1)C(O)=O
MolPort-019-906-271 0.65 O[C@H]1C[C@H](C1)C(O)=O
MolPort-035-942-033 0.65 C[C@@]1(O)C[C@@H](C1)C(O)=O
MolPort-035-942-034 0.65 C[C@]1(O)C[C@@H](C1)C(O)=O
MolPort-046-774-911 0.65 CC1(C)CC1(O)C(O)=O
MolPort-001-759-254 0.65 OC(=O)CCCC(O)=O
MolPort-046-162-723 0.65 [Na+].CC(C)(O)CCC([O-])=O
MolPort-027-844-925 0.65 [Na+].OCCCCC([O-])=O
MolPort-012-785-568 0.65 OC(C1CC1)C(O)=O
MolPort-003-937-750 0.65 [Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O
MolPort-028-746-063 0.65 O.O.[Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O
MolPort-003-987-863 0.65 OC1CC(C1)C(O)=O
MolPort-023-278-781 0.65 CC1(O)CC(C1)C(O)=O
MolPort-003-927-542 0.65 [Na+].CCC(C)C(=O)C([O-])=O
MolPort-006-115-994 0.65 CC(C)C(CC(O)=O)CC(O)=O
MolPort-003-926-237 0.65 CC(CCC(O)=O)C(O)=O
MolPort-001-781-814 0.65 CCC(C)(CC(O)=O)CC(O)=O
MolPort-005-940-352 0.65 [Ca++].CC(C)CC(=O)C([O-])=O.CC(C)CC(=O)C([O-])=O
MolPort-005-940-351 0.65 [Ca++].CCC(C)C(=O)C([O-])=O.CCC(C)C(=O)C([O-])=O
MolPort-006-116-148 0.65 CC(C)CC(C(O)=O)C(O)=O
MCULE-4933320408 0.65 CC1(CC(C)(C)CC(=O)C1)C
MCULE-8769701319 0.65 COC(C(C1(C2C(C2)CCC1)O)C)=O
MCULE-7833516664 0.65 CC(CC(C1C(O)(C)CCCC1)C)C
MCULE-6818941701 0.65 C1(O)CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1
MCULE-2774657663 0.65 CC(CC(C1C(C)CCCC1C)O)C
MCULE-5803042761 0.65 BrC12CC3(CC(O)=O)CC(C1)(CC(C)(C3)C2)Br
MCULE-1198054908 0.65 C12(CC3CC(CC(C3)C1)C2)C(C)=O
MCULE-1324566264 0.65 C12(CCC(C(F)C1)(C)C2(C)C)C(O)=O
MCULE-1013078562 0.65 CC(CC(C1CC(C)(C)CCC1)O)C
MCULE-8623556966 0.65 OC(C1C(C(F)(F)F)CC(C(F)(F)F)CC1)=O
MCULE-1634042258 0.65 CCCC(C1CCCCC1)=O
MCULE-9902614800 0.65 C1(CCCCC1)(CC(O)=O)CC(N)=O
MCULE-7936846409 0.65 CC(C1CCCCC1)(O)C
MCULE-6873110648 0.65 C1(OC)(OC)C2CCCC1CC(C(OC)=O)C2
MCULE-5256349727 0.65 C1(CCCCC1O)CC(C)C
MCULE-4306370291 0.65 [C@@H]1(CCCC[C@H]1C(OC)=O)C(OC)=O
MCULE-6744742443 0.65 CC(CC1CC(C(C)C)C[C@H](O)C1)C
MCULE-1144255717 0.65 [C@@]12(C)[C@@H]([C@H](C)CCC(OCC)=O)CCC1[C@]1(C([C@@]3(C)CC[C@H](C[C@@]3(CC1)[H])O)C[C@@H]2O)[H]
MCULE-5478213822 0.65 CC(C1CCC(O)CC1)(C)C
MCULE-5300696682 0.65 N[C@H]1[C@@H](O)CC[C@@H](C(O)=O)C1
MCULE-2595024415 0.65 OC1C2CC3CC(C2)CC1C3
MCULE-2555180013 0.65 C1(=O)C(C(CCCCCCCCCCC)=O)C(=O)CCC1C(OC)=O
MCULE-5014164456 0.65 C12(C)CC3(C)CC(CC(CO)(C3)C1)C2
MCULE-7178475126 0.65 NC([C@H]1[C@@H](C(O)=O)CCCC1)=O
MCULE-8871677793 0.65 C1(=O)CCC([C@@H]2CC[C@@H](C)CC2)CC1
MCULE-5056799517 0.65 CC(OC(C1CC2(CC2)CCC1)=O)(C)C
MCULE-2533878456 0.65 C1([C@@H]2CC[C@@H](CCCC)CC2)CCC(=O)CC1
MCULE-6922563163 0.65 CCOC(C1CC2(CC2)CCC1)=O
MCULE-5994436389 0.65 C1(=O)CCC([C@@H]2CC[C@@H](CCCCC)CC2)CC1
MCULE-7550312936 0.65 CC1(C(C(C(O)=O)C#N)CCCC1)O
MCULE-3070949324 0.65 C1(O)CC(C)CCC1C(C)C
MCULE-9586093516 0.65 OC(C1(CC2C(C2)C1)CC1C(F)(F)C1)=O
MCULE-1125647515 0.65 CC(CCC1CCCCC1)=O
MCULE-8444515336 0.65 [C@@H](CC(=O)O)(C(=O)OC)C1CCCCC1
MCULE-3560325489 0.65 CC(CC(C1C(C)CC(C)(C)CC1)=O)C
MCULE-2404407916 0.65 C(F)(F)(F)C1(O)CCC(CC1)C(O)=O
MCULE-1436014465 0.65 C1CCC(CC(CC)CCCC)C(O)C1
MCULE-9972469144 0.65 COC(C(C1CC2CC(CC2)C1)O)=O
MCULE-6870509580 0.65 C1(CCCCC1CCCCCCC)O
MCULE-5371407715 0.65 C12(CCC(C(=C)C1(C)C)C2)C(O)=O
MCULE-6442392278 0.65 C1(CCCCC1O)CCC(C)C
MCULE-4656989626 0.65 C1(=O)C(C(CCCCC(OC)=O)=O)C(=O)CC(C)(C)C1C(OC)=O
MCULE-5064551334 0.65 CC(CC(C1CC(C)(C)CC(C)C1)=O)C
MCULE-6857901798 0.65 C1(N)(CCC(CC1)=O)C(O)=O
MCULE-5901469604 0.65 CC(CC(C1C(C)CCCC1C)=O)C
MCULE-1557830756 0.65 COC([C@H]1[C@@H](C(O)=O)CCCC1)=O
MCULE-3320705054 0.65 C1(CCC)CCCCC1=O
MCULE-6361201878 0.65 [C@@]12([H])[C@@]([H])(C1(F)F)C[C@H](C(O)=O)C2
MCULE-8689403766 0.65 CC1(CC(CO)CCC1)C
MCULE-4190105681 0.65 C(F)(F)(F)C1C2CCC(C2)C1C(O)=O
MCULE-8324989387 0.65 CC(CC(C1C(C)CCC(C)C1)=O)C
MCULE-6433302108 0.65 COC1(C(O)=O)CC2CC(CC2)C1
MCULE-3991562693 0.65 CC(CC(C1C(C)CC(C)CC1)=O)C
MCULE-6301820973 0.65 C1(CC2C(CCCC2)C1)C(OCC)=O
MCULE-6856658278 0.65 CC(CC(C1C(C)C(C)CCC1)=O)C
MCULE-3106293224 0.65 C1(CCCCC1)(C(O)=O)C(N)=O
MCULE-6419484419 0.65 CC(CC(C1CC(C)(C)CCC1)=O)C
MCULE-9991816370 0.65 C(CCCCCCCC(O)=O)#CCCCCCCCC(O)=O
MCULE-1285216829 0.65 C1(C)C(C)CCCC1O
MCULE-2622505705 0.65 OC(C(CC1CC2C(C2)CC1)F)=O
MCULE-3304279258 0.65 CC1CC(C(C)=O)CC(C)C1
MCULE-8013111781 0.65 C1(C(O)=O)C2CCC1CC2F
MCULE-8592918670 0.65 C1CC(C(C)C)C(O)(C)CC1C
MCULE-1367930506 0.65 C1(CCCCC1)(CC(O)=O)C(OC)=O
MCULE-9871375617 0.65 C1(C)(C)CC(C)CC(=O)C1
MCULE-6852183387 0.65 C1C2CC3(CC1CC(C3)C2)C(C(O)=O)C(OC)=O
MCULE-1603056454 0.65 C(C)(C)(C)C1CCCC(C1=O)C(C)(C)C
MCULE-7411308917 0.65 C(O)(C12CC3(CC(CC(C3)C1)C2)C(C(C(F)(F)F)F)(F)F)=O
MCULE-9183733882 0.65 CC(C1C(=O)CC(C)CC1)C
MCULE-1276684260 0.65 C1(C(OC)=O)C(C)(C)CC(CC1=O)=O
MCULE-6363555535 0.65 C1(CCCCC1C)=O
MCULE-9379862384 0.65 O=C1CC2(CCC(C(=O)OCC)CC2)C1
MCULE-3974680702 0.65 C1CC(CCC1(CCC)CCC)=O
MCULE-7894809866 0.65 N[C@H]1[C@H]2[C@H](C2)[C@@H](C(O)=O)C1
MCULE-5767180361 0.65 C1(C)C(C=O)CCC(C)C1C
MCULE-1824162507 0.65 [H]C12CCCCC1(C)C1CC(C3(C)C(C(C)CCC(OCC)=O)CCC3C1CC2)=O
MCULE-4157347557 0.65 C1(C)C(C)CCC(CO)C1C
MCULE-7350983967 0.65 COC(C1C(C(O)=O)CCCC1)=O
MCULE-5258994760 0.65 CC(C1CCC(C(C)=O)CC1)C
MCULE-8812362409 0.65 CCCCCCCCCCCCC#CCCCCCCCCC(O)=O
MCULE-1705022712 0.65 CC1C(C)C(=O)CCC1
MCULE-9284429881 0.65 NC(C(C(O)=O)O)CC1CCCCC1
MCULE-6997476404 0.65 C1(=O)CCC([C@@H]2CC[C@@H](CCC)CC2)CC1
MCULE-4415864268 0.65 C12(C)CC(C(OCC)=O)C(CC1)C2(C)C
MCULE-5725182462 0.65 C12CCCCC1CCC(O)C2
MCULE-1665071862 0.65 COC(C(O)=O)C1CC2C(C2)CC1
MCULE-7501628471 0.65 CC1CCC(O)CC1
MCULE-1131916570 0.65 C1(=O)C(C(CCCCCCCCCCCCCCCCC)=O)C(=O)CC(C)(C)C1C(OC)=O
MCULE-3656016882 0.65 C(C)(C)(C)C1CCC(C)CC1O
MCULE-7692371415 0.65 COC(C(O)=O)C1CC2C(C2)C1
MCULE-1204413213 0.65 C12(CC(C)O)CC3CC(CC(C3)C1)C2
MCULE-9072682673 0.65 C12(CC(=O)O)CC3CC(CC(Br)(C3)C1)(Br)C2
MCULE-2520511686 0.65 CC(CC1C2CCC(CC2)C1)(CO)C
MCULE-4693539142 0.65 CC(OC(C1CCC2(CC2)CC1)=O)(C)C
MCULE-3910597436 0.65 OCC12CC3CC(CC(C3)C1)C2
MCULE-9404392324 0.65 [C@@H]1(C(OC)=O)CCCC[C@H]1C(OC)=O
MCULE-1797771489 0.65 CC12CC3CC(CC(C3)(O)C1)C2
MCULE-8615441277 0.65 OC1C(C(C(O)=O)C#N)CCCC1
MCULE-9068244581 0.65 CC(CCC1C2CCC(CC2)C1)=O
MCULE-3622493373 0.65 CC(OC(C1CCC2(CC2)CC1)=O)C
MCULE-2905303351 0.65 C(C)(C)(C1CCCCC1)C1CCC(CC1)=O
MCULE-4610397868 0.65 OC(C(C#N)CC1(CCCCC1)O)=O
MCULE-9039442994 0.65 O[C@@]12[C@]3(C)[C@](C[C@](CC3)([H])C1(C)C)([H])[C@@H](C)CC2
MCULE-5925148869 0.65 COC(C(C1CC2C(C2)CC1)O)=O
MCULE-8055552408 0.65 [H][C@@]1([C@@]2(CC[C@@H](CCCCC)CC2)[H])CC[C@@H](O)CC1
MCULE-3449539268 0.65 C1CC2(C3CCC4C5C(C(C)=C)CCC5(CCC4(C(O)=O)C3(C)CCC2C(C)(C1O)C(=O)O)C(O)=O)C
MCULE-3688817492 0.65 O[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCC)CC2)CC1
MCULE-6735397309 0.65 OC1C(CC(C(O)=O)C#N)CCCC1
MCULE-5323689313 0.65 CCC(C12CC3CC(CC(C3)C1)C2)O
MCULE-9766937276 0.65 OC(C(C1C(C#N)CCCC1)C#N)=O
MCULE-5369505550 0.65 CCC[C@H]1CC[C@H](CCC2CCC(=O)CC2)CC1
MCULE-7024747054 0.65 C1(O)CCC2(C)C3([H])CC(O)C4(C)C([H])(C(CCC(=O)OCC)C)CCC4([H])C3([H])CCC2([H])C1
MCULE-7199904869 0.65 CCCCC[C@@H]1CC[C@@H](CCC2CCC(=O)CC2)CC1
MCULE-3798252597 0.65 C1(C(=O)N)CCCCC1C(=O)O
MCULE-3403978026 0.65 CC(C(C)=O)CC1C2CCC(CC2)C1
MCULE-8903209433 0.65 C1C[C@]23C[C@@]42CC[C@]2(C)[C@]([C@@H](CCC(=C)C(C)C)C)([H])CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-6467363158 0.65 O[C@@H]1CC[C@H](C2CCCCC2)CC1
MCULE-5309188471 0.65 NC(C1(C(O)=O)CCC1)C1CC2C(C2)C1
MCULE-1816289049 0.65 CC12CC3CC(O)(C1)CC(C3)(C2)C
MCULE-8877086279 0.65 CC1CC(C(C(O)=O)C#N)C(C#N)CC1
MCULE-9922331409 0.65 CC[C@@H](C1CC(C)(C)CC(C)(C)C1)O
MCULE-5721138310 0.65 COC(C(C1CC2C(C2)C1)O)=O
MCULE-3435416328 0.65 C1(O)CCC(CC1)CCCCC
MCULE-2786004190 0.65 COC(C(C1(CC2CC(CC2)C1)O)C)=O
MCULE-1063543963 0.65 C1(O)CCC(CC1)CCC
MCULE-9571225108 0.65 COC(C1(CC2CC(CC2)C1)O)=O
MCULE-6254197353 0.65 C1(O)CCC(CC1)CCCC
MCULE-3887795119 0.65 C1C[C@H](C(=O)O)[C@@H](C(N)=O)CC1
MCULE-1892215942 0.65 C1(=O)CCC(C2CCC(CC)CC2)CC1
MCULE-1816295319 0.65 OC(C(CC1CC2C(C2)CC1)S)=O
MCULE-5236890306 0.65 C(O)(C(CC)CC)=O
MCULE-7725816513 0.65 C1(CC2CC1CC2)C(OCC)=O
MCULE-5702253386 0.65 CC(CC12CC3CC(C1)CC(C3)C2)=O
MCULE-7416375399 0.65 OC(C(C1CC2CC(CC2)C1)F)=O
MCULE-4621155554 0.65 CCCC1CCC(=O)CC1
MCULE-6494315872 0.65 OC(C(CC1CC2C(C2)C1)S)=O
MCULE-1350160612 0.65 CC(C=O)(CC1C2CCC(CC2)C1)C
MCULE-6470231192 0.65 C1(=O)C(C(C)=O)C(=O)CCC1C(OC)=O
MCULE-7473209514 0.65 C(C)(C)(C)C1CCC(CC1)=O
MCULE-2394611865 0.65 [C@@H]1(C(=O)O)CCCC[C@H]1C(N)=O
MCULE-2936389097 0.65 O=CC1CCC(C=O)CC1
MCULE-9120944854 0.65 [C@@H]1(C(O)=O)CCCC[C@H]1C(OC)=O
MCULE-5710897696 0.65 CC(CC1CCCCC1)CO
MCULE-7542460978 0.65 O=CCCC1CCCCC1
MCULE-1667452450 0.65 C1C(O)(CCCC)CCCC1
MCULE-6902179435 0.65 CC(CC1C2CCC(CC2)C1)CO
MCULE-1616608875 0.65 C[C@H]1[C@@](O)(C)CCCC1
MCULE-6918681004 0.65 CC(C(CC1C2CCC(CC2)C1)C)O
MCULE-8870961686 0.65 CC(CCC1C2CCC(CC2)C1)O
MCULE-8171086822 0.65 CC(CC(C1C(C)C(C)CCC1)O)C
MCULE-6227977452 0.65 CC(CC(C1C(C)CCC(C)C1)O)C
MCULE-3994659760 0.65 CC(CC(C1C(C)CC(C)CC1)O)C
MCULE-4718457404 0.65 [C@H](O)([C@H](O)CC=O)[C@@H](CO)O
MCULE-7356082427 0.65 CC(C12CC3CC(C1)CC(C3)C2)(O)C
MCULE-9200209958 0.65 C1(CC(C1)CCOC)C=O
MCULE-3507136422 0.65 CC1C(O)(C)CCCC1
MCULE-4078609150 0.65 C(O)(C(O)CC=O)C(CO)O
MCULE-5938012638 0.65 CC(CC1(CCCCC1)CO)C
MCULE-2427523663 0.65 [C@@H](O)([C@H](O)CO)[C@H](O)CC=O
MCULE-5667751878 0.65 OC1C2CCC(CC2)C1
MCULE-3861431976 0.65 CCCC(C(=O)O)(N)CCC
MCULE-4421626069 0.65 OC12CC3CC(CC(C3)C1)C2
MCULE-5091939891 0.65 [C@@H](O)([C@H](O)CO)CC(=O)C=O
MCULE-6481849184 0.65 CC1(CC(O)(C)CCC1)C
MCULE-8441860655 0.65 OC([C@H](C)CCC(=O)O)=O
MCULE-2232182383 0.65 [C@]1([H])(O)CC[C@@](CC1)([H])CCCC
MCULE-9945035089 0.65 OC(C(O)=O)C1CC1
MCULE-5331575122 0.65 CC1CC(CO)CC(C)C1
MCULE-3722680536 0.65 C(O)(=O)C(C)(C)CCC(O)=O
MCULE-6749005214 0.65 C(C)(C)(C1CCCCC1)CC(C)=O
MCULE-9071150671 0.65 [C@H](C)(C(=O)O)CCC(=O)O
MCULE-2384784385 0.65 C1(C)CC(C)CCC1C=O
MCULE-4467958139 0.65 C[C@@]1(C[C@H](C(O)=O)C1)O
MCULE-8153634693 0.65 CC(CC1C2CCC(CC2)C1)O
MCULE-6943865620 0.65 CC1(CC(C(O)=O)(O)C1)C
MCULE-1903798868 0.65 [C@]12(C)CC[C@@]3(C)CCC(C)(C)C[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])CCC(=O)[C@H](C)[C@]3(CC[C@]21[H])C
MCULE-5857208842 0.65 C(C)(CC)(C(=O)O)CC(=O)O
MCULE-9711655757 0.65 C12CCCC(CC(CO)C1)C2C
MCULE-2935818452 0.65 C(O)(=O)C(C1CC1)=O
MCULE-6582246868 0.65 CC(CC1C2CCC(CC2)C1)(O)C
MCULE-2222519984 0.65 CC1(CC(C(O)=O)C1)O
MCULE-2714210314 0.65 O[C@@H]1CC[C@H](C(C)(C)C)CC1
MCULE-5699074158 0.65 C(O)(=O)C(CCC)C(O)=O
MCULE-1223176379 0.65 OC1CCC2C(CCC(C2)C(C)C)C1
MCULE-9770985354 0.65 [K+].CC(CCC([O-])=O)(O)C
MCULE-9383663409 0.65 [C@@H]1(O)C[C@H](C)CC[C@H]1C(C)C
MCULE-5181925767 0.65 [C@@H]1(C(O)=O)C[C@H](O)C1
MCULE-5125262116 0.65 [C@H]1(O)C[C@@H](C)CC[C@@H]1C(C)C
MCULE-2980001354 0.65 C(CC(C)C(C)C(O)=O)(O)=O
MCULE-9131864343 0.65 [C@@H]1(O)CC[C@@H](C)CC1
MCULE-3688310273 0.65 CC(CC(O)=O)(CC(O)=O)C
MCULE-8969416409 0.65 CCC(CC1C2CCC(CC2)C1)O
MCULE-3836827182 0.65 C(CCCO)C([O-])=O.[Na+]
MCULE-1001981824 0.65 O=C1CCC(CC)(CC)CC1
MCULE-4341192467 0.65 C(O)(=O)C1CC(C1)O
MCULE-8092215749 0.65 C1(O)C(CCC)CCC(C)C1
MCULE-6373522873 0.65 C(CC(C)C)(C(O)=O)C(O)=O
MCULE-6302925854 0.65 CCC(CC1C2CCC(CC2)C1)(O)C
MCULE-5766836727 0.65 C1(C)(C(O)=O)CC(=O)C1
MCULE-3065792428 0.65 CC(C(CC1C2CCC(CC2)C1)O)C
MCULE-3232370055 0.65 OCC1(C(O)=O)CCC1
MCULE-8126293309 0.65 [C@@]12(C)CCC3[C@](C)(CC[C@H](O)C3(C)C)C1CC[C@@]1(C)[C@]3([C@](CO)(CCC(C)(C)C3)CCC12)[H]
MCULE-1153209267 0.65 C(O)(C(CC(C)C(O)=O)C)=O
MCULE-6032665191 0.65 CC1C(=O)CCC(C)(C)C1
MCULE-3757447768 0.65 [C@@H]1(C(O)=O)C[C@@](O)(C)C1
MCULE-6035418907 0.65 O=C1CCC(CCCCCCC)CC1
MCULE-7515023265 0.65 [C@@H](C)(C(=O)O)CCC(=O)O
MCULE-5304188182 0.65 C1(C)C(C)CCC(=O)C1
MCULE-8672788982 0.65 C1(CC(C1)=O)C(O)=O
MCULE-5027864826 0.65 C1(C2CCCCC2)C(=O)C(C2CCCCC2)CCC1
MCULE-1939523418 0.65 C(C)(C(=O)O)CCC(=O)O
MCULE-1958135453 0.65 CC1CC(C)C(O)CC1
MCULE-3418659917 0.65 OC(C1(CCC1)O)=O
MCULE-5139003574 0.65 C12(O)CC3CC(CC(C3)(CC)C1)C2
MCULE-8568823768 0.65 O=C(O)C1CC(CO)C1
MCULE-1419875265 0.65 OCCC1CCCCC1
MCULE-3159318035 0.65 CCC(CC(O)=O)(CC(O)=O)C
MCULE-3520631102 0.65 CC1CC(C)C(=O)CC1
MCULE-6745263267 0.65 OCCCCC([O-])=O.[K+]
MCULE-3082447771 0.65 O=C1CCC2(C)CCCCC2C1C
MCULE-1599861039 0.65 [Na+].CC(CCC(=O)[O-])(O)C
MCULE-7459189393 0.65 O=C1CCC2(C)CCCCC2C1
MCULE-8698784345 0.65 [Na+].CC(CC(=O)C(=O)[O-])C
MCULE-9407073298 0.65 CCC1C(=O)CCC(C)C1
MCULE-4917199167 0.65 C(C)(O)(C(O)=O)C1CC1
MCULE-5279616802 0.65 C1(CCCCC1)C(O)CC(C)C
MCULE-4286022994 0.65 OC(CCCC(O)=O)=O
MCULE-3677693946 0.65 C1(CCCCC1)C(=O)CC(C)C
MCULE-9908072079 0.65 O=C(O)[C@@H]1C[C@@H](O)C1
MCULE-6458353215 0.65 [C@]12(O)C(C)(C)[C@]3([H])CC[C@@]1(C)[C@@]([H])(C3)[C@@H](C)CC2
MCULE-8706737331 0.65 OCC1(CC1)CC(O)=O
MCULE-8660119284 0.65 C(O)(C(C)(C)C)C1CCCCC1
MCULE-7399673381 0.65 C(=O)(O)CC(C)CC(=O)O
MCULE-8213642483 0.65 C1C(C2CCC(O)CC2)CCCC1
MCULE-5386143158 0.65 CC(C1CCC(O)CC1)C
MCULE-1276125454 0.65 O=CC(C)(C)C1CCCCC1
MCULE-3027601352 0.65 CC(C1(C=O)CC(C)(C)CC(C)(C)C1)C
MCULE-4356959547 0.65 C1(CCC(C(C)C1)=O)C(C)(C)C(C)C
MCULE-3625870498 0.65 C12(CC=O)CC3CC(CC(C3)C1)C2
MCULE-8215721805 0.65 C(C1CCC(=O)CC1)CCCCC
MCULE-7224731579 0.65 CCC1(C=O)CC(C)(C)CC(C)(C)C1
MCULE-8917955726 0.65 CC1(C2(CCCCC2)CCCC1)O
MCULE-6524065878 0.65 C1C2CC3CC1CC(CCO)(C3)C2
MCULE-3281261596 0.65 C12(CCCCC1)CCCC(=O)C2
MCULE-6382549003 0.65 C1(CCCCCCCCCCCCCCC)CCCC(=O)C1
MCULE-7925318933 0.65 CC(C1CCC(=O)CC1)C
MCULE-4532722456 0.65 C1(CC2CC(CC(C2)C1)C)=O
MCULE-2806769687 0.65 C1(CCCC(C(C)CC)C1=O)C(C)CC
MCULE-8988534098 0.65 C1(C(C)CCCC1(C)C)CCC(CCC)O
MCULE-6230545451 0.65 C1(C(=O)CCC(C(C)(C)CC)C1)C(C)(C)CC
MCULE-6070651219 0.65 C12CC3(C4CCC(=O)CC4)CC(CC(C3)C1)C2
MCULE-4557008527 0.65 O=C(C)CC1CCCCC1
MCULE-5058294714 0.65 CC1CC(O)(C)CCC1
MCULE-3773813202 0.65 C12(C(C)O)CC3CC(CC(C3)C1)C2
MCULE-7443325494 0.65 C12(CC3CC(CC(C3)C1)C2)C(=O)C(C)(C)C
MCULE-5135795743 0.65 C1(CC(CC(C(C)(C)C)C1O)C)C(C)(C)C
MCULE-9668410323 0.65 [H]C12CCC(O)C(C)C1(C)CCC1(C3(C)CCC4(C)CCC(C)(C)CC4(C3(C)CCC21C)[H])[H]
MCULE-6571547092 0.65 OCC1CCCCC1
MCULE-1865638063 0.65 C1(CCC(CCCCC)CC1)=O
MCULE-6525691022 0.65 CC(C1C(O)CCCC1)C
MCULE-8690797205 0.65 CC(C1CCCCC1)CO
MCULE-1019944782 0.65 C1(CCCCC1)(CC(C)C)CC(C)=O
MCULE-5400588908 0.65 C[C@H](C1CC(C)(C)CC(C)(C)C1)O
MCULE-1142870224 0.65 CC(C(CC1CCCCC1)=O)(C)C
MCULE-6415047729 0.65 CC(C(C1CCCCC1)O)C
MCULE-5699953762 0.65 OCCC1C2CC3CC(C2)CC1C3
MCULE-9620894384 0.65 C(O)(=O)C(C(C)C)C(C)C
MCULE-1073311918 0.65 C(O)(C)(C)C1CCC(C)(C)CC1
MCULE-1915798198 0.65 CC(C1C(C)CC(=O)CC1)C
MCULE-2521193832 0.65 C1(C)(O)CCC(CC1)C(C)C
MCULE-6032995037 0.65 C1C2CC3(CO)CC(C)(C2)CC1C3
MCULE-9007521809 0.65 OCCC12CC3(CC(CC(C3)C1)C2)CO
MCULE-7560602452 0.65 O=C1CC(C)CC(C)C1
MCULE-4509388009 0.65 [C@@]12(C)CCCCC1(C)CC[C@@H](O)C2
MCULE-3782371278 0.65 C1CCC(O)CC1(C)C
MCULE-7297564723 0.65 C[C@@H](C1CC(C)(C)CC(C)(C)C1)O
MCULE-9921937780 0.65 C(O)(C1CCCCC1)C1CCCCC1
MCULE-9254956046 0.65 C12(CO)CCC(CC1)C(C)C2C
MCULE-8097752772 0.65 C(C1CCC(O)CC1)C
MCULE-3541906567 0.65 C1C(=O)C(C(CC)C)CCC1
MCULE-8568932421 0.65 CC1C(O)C(C)CCC1
MCULE-5090968077 0.65 O=C1C(C(C)(C)C)CC(C)CC1C(C)(C)C
MCULE-2154644422 0.65 C12C(C)(O)C3CC4C1CC1CC4C(C3)C2C1
MCULE-2747777640 0.65 C12CCCCC1[C@@H](O)CCC2
MCULE-3025816218 0.65 C12C(=O)C3CC4C1CC1CC4C(C3)C2C1
MCULE-8861853562 0.65 C1(CC(C)CCC1=O)C(C)(C)C(C)C
MCULE-7325920433 0.65 C12C(=O)C3CC4C1CC1CC2C(C3)C4C1=O
MCULE-7256153900 0.65 C1(O)CC2CCCC(C2)C1
MCULE-6816231153 0.65 C1CC(CCC1CO)CO
MCULE-6384145342 0.65 O[C@@H]1C[C@H](C)CC(C)(C)C1
MCULE-8174479267 0.65 CC1CC(O)C(C)CC1
MCULE-5078012753 0.65 CC(C1CCCCC1)O
MCULE-7562803980 0.65 C12(CC3CC4C1CC1CC4C(C3)C2C1)C(C)=O
MCULE-5947496314 0.65 CC1(CC(=O)CCC1)C
MCULE-2309757845 0.65 CCC1CC(=O)CCC1
MCULE-3860651016 0.65 O=C1C(C)(C)CCCC1(C)C
MCULE-1189470004 0.65 CC1CC(=O)C(C)CC1
MCULE-4896844140 0.65 C1CC(C)C(=O)C(C)C1
MCULE-1852539155 0.65 C1(C(C)C)CCCC(=O)C1
MCULE-5789758945 0.65 C(C1CCC(CC)CC1)O
MCULE-6779629441 0.65 C1(=O)C(C)CCC(C)C1(C)C
MCULE-7854211857 0.65 C[C@H](C1CCCCC1)O
MCULE-7090401028 0.65 C(C)(CC)(C1CCC(CC1)O)C
MCULE-3632759144 0.65 C1(CCCC)CCC(=O)CC1
MCULE-1365001070 0.65 CC1(C(O)CCCC1)C
MCULE-1921118611 0.65 C1(=O)CC(C2CCCC(=O)C2)CCC1
MCULE-3498852587 0.65 C1(CCCCC1)C(CCC)O
MCULE-2959145859 0.65 C1C(O)CC(C)(C)CC1(C)C
MCULE-2501910311 0.65 C12(CCCCC1C(C1CCCC2C1)C)O
MCULE-6197363946 0.65 C12(CC3CC(CC(C3)C1)C2)C(C)(C)CO
MCULE-8480896518 0.65 C1CCC2CCCC(=O)C2C1
MCULE-7277990161 0.65 C1(C)(C)CCC(CC1)O
MCULE-4969751330 0.65 C12CCCC(CC(CO)C1)C2
MCULE-6000046231 0.65 C12CC(CO)CC(CC(O)C1)C2
MCULE-9771991264 0.65 C1(CCCCC1)C(CCCC)O
MCULE-8510063341 0.65 C1(C)(C)C(C)CCCC1CO
MCULE-4913406375 0.65 CCCC1(C=O)CC(C)(C)CC(C)(C)C1
MCULE-8203276385 0.65 C(CC)(C1CCCCC1)=O
MCULE-9842409638 0.65 C1(CC)(O)C(C)CCC(C(C)C)C1
MCULE-2881249865 0.65 C1(CCCCC1)C(CC)O
MCULE-8496149275 0.65 CC1(C(=O)CCCC1)C
MCULE-4481402583 0.65 C1(C(C)C)CC2CCCC(C2O)C1
MCULE-5050137682 0.65 CC1CC(O)CC(C)C1
MCULE-5456726511 0.65 C1(C)CCCC(O)C1.C1C(C)CCC(O)C1.C1CCC(C)C(O)C1
MCULE-7002165342 0.65 C1CCC(CCCC)C(O)C1
MCULE-9204517257 0.65 C1(CCCCC1O)C(C)(C)C
MCULE-6243147019 0.65 C1(CCC(CC1)C1CCC(CC1)=O)=O
MCULE-8571570461 0.65 O=CCCCC1CCCCC1
MCULE-2553108231 0.65 CCCCCC1(CCCCC1)CO
MCULE-6766255613 0.65 [C@@H]1(CO)CC[C@@H](CCC)CC1
MCULE-9314704343 0.65 CCC1(CCCCC1)O
MCULE-4128649432 0.65 C1CCCCC1(O)C1CCCCC1
MCULE-4794827582 0.65 OCCCC1C2CCC(CC2)C1
MCULE-8181548788 0.65 [C@@H]1(O)C[C@H](C)CC[C@H]1C(C)C
MCULE-1537981126 0.65 CC(C(C1C(O)(C)CCCC1)C)C
MCULE-1120537612 0.65 C(C)(C)(CCO)C1CCCCC1
MCULE-7446006713 0.65 C1CCC(CCC)C(O)C1
MCULE-2360280532 0.65 C1(CCC(CC1)C1([H])CCC([H])(CCCC)CC1)=O
MCULE-7822367084 0.65 CCC(C1C(O)(C)CCCC1)CC
MCULE-5187598883 0.65 O=C(C)CCCC1CCCCC1
MCULE-7082905261 0.65 CC1(CCCCC1)CO
MCULE-9245801250 0.65 C1(C)(CO)CCC(CC1C)C
MCULE-7206828600 0.65 CC(CC[C@H]1[C@@](O)(C)CCCC1)C
MCULE-8918178490 0.65 O=C1C(C)CC2CCCCC2C1
MCULE-4333084746 0.65 CCC([C@H]1[C@@](O)(C)CCCC1)CC
MCULE-7313747710 0.65 C1(CCC(CC1)C1([H])CCC([H])(CCCCC)CC1)=O
MCULE-8278634455 0.65 CC(CC1C(O)(C)CCCC1)C
MCULE-6556095847 0.65 O=C1CCC(C2CCCCC2)CC1
MCULE-4084421366 0.65 CCC(C(O)=O)(CC)CC
MCULE-4548304863 0.65 C12(CCCO)CC3CC(CC(C3)C1)C2
MCULE-9262204418 0.65 C[C@@]1([C@H](C2CCCCC2)CCCC1)O
MCULE-3629134209 0.65 C1(CCC(CC1)C1([H])CCC([H])(CCC)CC1)=O
MCULE-1948033002 0.65 C1(C)(CCC(CC1C)C)CCC(CC)O
MCULE-1824894868 0.65 C12(C)CCC(CC1(C)C)CC2O
MCULE-3392494912 0.65 CC1CC(CCO)CCC1
MCULE-9458346317 0.65 C12(O)CC3CC(CC(C3)C1CCCCC)C2
MCULE-9544311582 0.65 C(O)(C)(CC)C1CCCCC1
MCULE-2679088241 0.65 C1(C)(C)CCC(CC1)C=O
MCULE-7393974453 0.65 CC(CCC1C(O)(C)CCCC1)C
MCULE-5120567784 0.65 O=C1C(C)CC2C(C)(C)CCC(C)(C)C2C1
MCULE-6102529388 0.65 O=C(C)C1CCC(C)CC1
MCULE-4105322469 0.65 C1(=O)C[C@H](C)CC[C@H]1C(C)C
MCULE-7730857841 0.65 CCCC1C(O)(C)CCCC1
MCULE-5014286077 0.65 C12(C)CCC(CC1=O)CC2(C)C
MCULE-2338880769 0.65 CC(CCC1C2CC3CC(C2)CC1C3)=O
MCULE-8738446936 0.65 C(O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
MCULE-6556169305 0.65 C1C(O)C(C)CCC1C(C)C
MCULE-2215850210 0.65 C1(C)(C)CC(C)CC(O)C1
MCULE-2196454251 0.65 CC(C12CC3CC(C1)CC(C3)C2)C(C)=O
MCULE-3337567805 0.65 C1CCC(CC(CC)CC)C(O)C1
MCULE-9574262669 0.65 CCC(CC1C(O)(C)CCCC1)C
MCULE-3909575496 0.65 O=C1CCC2(CCCCC2)CC1
MCULE-9091358177 0.65 C1(CCCCC1)(C)O
MCULE-3644108501 0.65 OCCCCC1CCCCC1
MCULE-9294167903 0.65 C1C[C@]([H])([C@@]2([H])CC[C@H](CO)CC2)CC[C@H]1CCC
MCULE-4733800526 0.65 C1CC2CCCCC(O)CCCCCC1CC2
MCULE-3194713697 0.65 C1(=O)C(C)CCCC1(C)C
MCULE-3366941024 0.65 C12CC3CC(CC(C3)C1C(C)O)C2
MCULE-1570571739 0.65 [H]C12CC(O)CCC1(C)C1CCC3(C)C(O)CCCC3C1CC2
MCULE-6831389075 0.65 CC(C1C(=O)CCCC1)(C)C
MCULE-1662173664 0.65 C1(CCCCC1)C1CCCCC1O
MCULE-2704647488 0.65 CC1C(O)CCCC1
MCULE-1712721816 0.65 C[C@@H]1CC[C@@H](CO)CC1
MCULE-5149394080 0.65 CCC1CC(O)CCC1
MCULE-1404483786 0.65 CCCCC1CCC(CO)CC1
MCULE-9281628573 0.65 O=C1C(CC(CC)CCCC)CCCC1
MCULE-2707983247 0.65 [C@@H]1(CC)CC[C@@H](O)CC1
MCULE-4898258652 0.65 C12(CC(C)(C)O)CC3CC(CC(C3)C1)C2
MCULE-5839979596 0.65 C1C(C)CCCC1O
MCULE-1427159214 0.65 O=C1C(CC(C)CCC)CCCC1
MCULE-5831616524 0.65 C1(CC)(O)CCCC(C)C1
MCULE-6846114441 0.65 CC(C)[C@@]1(CC[C@@](O)(CC1)[H])[H]
MCULE-4548371264 0.65 CCC(CC1CCCCC1)=O
MCULE-1066647463 0.65 C(C1CCCCC1)(C1CCCCC1)=O
MCULE-9581460597 0.65 C1CCC(C)C(CO)C1C
MCULE-2773584527 0.65 O=C1C(C2CCCCC2)CCCC1
MCULE-9350827413 0.65 CCC1(CCC(=O)CC1)C
MCULE-7514335194 0.65 CCC1C(O)CCCC1
MCULE-6543268492 0.65 CC([C@H]1[C@@](O)(C)CCCC1)(C)C
MCULE-4419010963 0.65 CCC1CCC(=O)CC1
MCULE-2397908792 0.65 C(C)(C)(C)[C@@H]1CC[C@@H](O)CC1
MCULE-9918051823 0.65 C1(CCCC(C)C1)=O
MCULE-8928405861 0.65 [C@@]12([H])CCCC[C@@]1([H])C(=O)CCC2
MCULE-8313965756 0.65 C1CCC(=O)CC1C(C)(C)C
MCULE-6921542760 0.65 CCCCCCCCCCC1CCC(=O)CC1
MCULE-5534475096 0.65 C1(CCC(CC1)C)=O
MCULE-1023656722 0.65 C1C2(C=O)CC3CC(C2)CC1C3
MCULE-6758199445 0.65 CCC(C1CCC(=O)CC1)(C)C
MCULE-4824767912 0.65 [C@@H]1(CO)CC[C@@H](CO)CC1
MCULE-6301464995 0.65 O=CC(C)CC1CCCCC1
MCULE-5405637942 0.65 CC1(CC(C=O)(C)CC(C)(C)C1)C
MCULE-5132415908 0.65 C12CCCCC1CCC(=O)C2
MCULE-2400194377 0.65 C(=O)(C1(C)CCCCC1)C
MCULE-4775289633 0.65 C1C(C)CCC(CO)C1
MCULE-3877943983 0.65 CCCCCCCCC1CCC(=O)CC1
MCULE-9555108441 0.65 C(C)(O)(C)C1CCC(C(C)C)CC1
MCULE-5545238417 0.65 C1(C)(C(C)O)C(C)CC2C(C(C)(C)CCC2)C1
MCULE-7773766432 0.65 C1(=O)CC2CCCC(C2)C1
MCULE-3058192287 0.65 CC(O)C(C1CCCCC1)C
MCULE-8425627064 0.65 OC(C1C2CCC(CC2)C1)C(C(O)=O)F
MCULE-9060961966 0.65 CC(C(C)=O)C1CCCCC1
MCULE-8502722499 0.65 C12C3C4CCCC4C1C1(C4(O)C3(C)C3C5C4CCC5C1C23)C(OC)=O
MCULE-6683028972 0.65 CC1CC(CCO)CC(C)C1
MCULE-9635559361 0.65 [C@@H]1(C(O)=O)CCCC[C@@H]1C(OC)=O
MCULE-8977569751 0.65 C1CCC(CC)C(O)(CC)C1
MCULE-7447808260 0.65 OC(C(C1CCC(F)(F)CC1)F)=O
MCULE-1723680974 0.65 CCCCC1C(O)(C)CCCC1
MCULE-8250897181 0.65 NC1CCC(C(O)=O)(N)CC1
MCULE-7810535858 0.65 CCCC[C@H]1[C@@](O)(C)CCCC1
MCULE-5797059096 0.65 OC(C(O)=O)C1CCC(F)(F)CC1
MCULE-5491533163 0.65 CCC(C1C(O)(C)CCCC1)C
MCULE-2854851050 0.65 OC(C1(C(F)(F)F)C2CC(CC2)C1)=O
MCULE-6530571707 0.65 CC(C[C@H]1[C@@](O)(C)CCCC1)C
MCULE-8605636546 0.65 C1(C(OC)=O)CC2CC(CC(C(OC)=O)C2=O)C1=O
MCULE-6419035876 0.65 C12(CC3CC(CC(C3)C1)C2)C(CC)=O
MCULE-9698399454 0.65 NC1(C(O)=O)CC(CO)CCC1
MCULE-7082370588 0.65 CC([C@H]1[C@@](O)(C)CCCC1)C
MCULE-8907828110 0.65 C1(=O)C(C(C)=O)C(=O)CC(C)(C)C1C(OC)=O
MCULE-3611548342 0.65 O[C@H]1CC[C@@H]2[C@@](C)([C@H]1C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]21C
MCULE-9560835556 0.65 CC(C1(CCC(F)(F)CC1)O)(C(O)=O)C
MCULE-9213456147 0.65 CCC[C@H]1[C@@](O)(C)CCCC1
MCULE-8405853979 0.65 CCC(C1(CCC(F)(F)CC1)O)C(O)=O
MCULE-9573848075 0.65 CC[C@H]1[C@@](O)(C)CCCC1
MCULE-7395730275 0.65 CCC(C(O)=O)(C1CCC(F)(F)CC1)O
MCULE-5468256653 0.65 C1(CO)CCC(C)CC1C
MCULE-2874997572 0.65 Cl.NC(C(O)=O)C1CC2C(C2)C1
MCULE-8208350318 0.65 CCC(C(C1C(O)(C)CCCC1)C)C
MCULE-5074615677 0.65 C1(C(OCC)=O)C2(CCC(=O)CC2)C1
MCULE-5557212745 0.65 C1(CC2CCC1CC2)C(C)=O
MCULE-3789297201 0.65 C1[C@H](C(=O)O)[C@H](C(OC)=O)CCC1
MCULE-9589330865 0.65 CC([C@@H]1[C@@H](O)C[C@@H](C)CC1)C
MCULE-9929981548 0.65 C1(C(O)=O)CC2C(N)C1CC2
MCULE-8199028147 0.65 C12(CC3CC(CC(C3)C1)C2)C(CCC)C(CCCC)=O
MCULE-2182242608 0.65 C1(C(O)=O)CC2C(F)C1CC2
MCULE-7302272779 0.65 C12(CC3CC(CC(C3)C1)C2)C(C)C(CC)=O
MCULE-9434889613 0.65 C12C3C4C1(C(OC)=O)C1C4C(C3=O)C12
MCULE-7442404217 0.65 CC1CC(C2C(O)CCCC2)CCC1
MCULE-5600446373 0.65 C1(C(O)=O)C2CCC1CC2N
MCULE-3284069816 0.65 C1(C)(C)CCC(CC1)=O
MCULE-2656329586 0.65 CCC(OC1CCC(C(=O)O)CC1)C
MCULE-2250255818 0.65 CCCC(C1C(O)(C)CCCC1)C
MCULE-8548545145 0.65 C1(O)CCC2(C)C3CC(O)C4(C)C(C(CCC(=O)OC)=O)CCC4C3C(O)CC2C1
MCULE-9024932195 0.65 C1C(=O)C(C)CCC1C(C)C
MCULE-8036292119 0.65 C1(F)(F)C2C1CC(C(O)=O)C2
MCULE-7882072196 0.65 CC1(CCC(CO)CC1)C
MCULE-5715333055 0.65 OC(CCC1(CCC(F)(F)CC1)O)=O
MCULE-2181504026 0.65 CC(C(CC1C2CCC(CC2)C1)=O)(C)C
MCULE-2730743019 0.65 NC(C1CC(C(=O)O)CCC1)=O
MCULE-3852804120 0.65 CC(C)(C1CCC(=O)CC1)C1CCC(=O)CC1
MCULE-2098125184 0.65 CC(C(O)=O)(C1CCC(F)(F)CC1)O
MCULE-2840661789 0.65 [C@@H]1(C(C)C)CC[C@@H](C)CC1=O
MCULE-9269886132 0.65 CC(C1(CCC(F)(F)CC1)O)C(O)=O
MCULE-8378080090 0.65 CC(CCC1C(O)(C)CCCC1)(C)C
MCULE-3823993263 0.65 C1(CCCCC1)[C@@H](O)C[C@@H](N)C(O)=O
MCULE-6307495993 0.65 OCCCC1CCCCC1
MCULE-6673788329 0.65 N[C@H]1[C@H]2[C@H](CCCC2)[C@@H]1C(O)=O
MCULE-1210709345 0.65 O=CCC1CCCCC1
MCULE-1541771980 0.65 CCOC(CCC1C2CC(CC2)C1)=O
MCULE-2991501554 0.65 CC(CC[C@H]1[C@@](O)(C)CCCC1)(C)C
MCULE-4205408536 0.65 [C@@H]1(C(O)=O)CCCC[C@H]1C(OC)=O
MCULE-1690446832 0.65 CC(C1C(=O)CCCC1)C
MCULE-5942478024 0.65 C1(F)(F)C2C1CC(CC2)C(O)=O
MCULE-8081004635 0.65 [C@]12(O)C(C)(C)[C@]3([H])CC[C@@]1(C)[C@]([H])(C3)[C@@H](C)CC2
MCULE-9085462824 0.65 OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-2321733611 0.65 C[C@@]12[C@]([C@@H]3CC(C)(C)CC[C@@]3(C)CC1)(C)CC[C@]1(C)[C@@H]2CC[C@]2([C@@H]1CCC(=O)[C@@H]2C)C
MCULE-9829469669 0.65 C1(=O)C(C(CCC)=O)C(=O)CC(C)(C)C1C(OC)=O
MCULE-3809271591 0.65 CC(CCC1CCCCC1)O
MCULE-1946989517 0.65 C(OC)(=O)C1C(CCCC1)C(OC)=O
MCULE-4858879107 0.65 O=CCC1C2CCC(CC2)C1
MCULE-7172559102 0.65 C1(CCC(CC1)(O)CC(O)=O)(F)F
MCULE-9882765688 0.65 CCC(CC1C2CCC(CC2)C1)=O
MCULE-8524342730 0.65 Cl.NC1(C(O)=O)CC2CC(CC2)C1
MCULE-1470679611 0.65 CC(C(CC1C2CCC(CC2)C1)=O)C
MCULE-3836218546 0.65 C12(CCC(C(N)C1(C)C)C2)C(O)=O
MCULE-4891406192 0.65 C1[C@@H](O)CC[C@H]2CCCC[C@H]12
MCULE-7398154045 0.65 Cl.NC1(C(O)=O)C2C(C2)CCC1
MCULE-8939893702 0.65 CC[C@H](C1CC(C)(C)CC(C)(C)C1)O
MCULE-1730640616 0.65 C12C3CC(C4C5(O)C6CCC7C(CC4C76)C53C(OC)=O)C1CCC2
MCULE-1345110870 0.65 CC(C(C1CCCCC1)=O)C
MCULE-3718766112 0.65 OC(C(CC1CC2C(C2)C1)F)=O
MCULE-6171532647 0.65 CC1C(C)CC(O)CC1
MCULE-1465485670 0.65 CC(OC(C1CC2(CC2)CCC1)=O)C
MolPort-002-894-218 0.65 CC12CC3(C)CC(C)(C1)CC(CO)(C2)C3
MolPort-023-177-810 0.65 CC1CC(C)(C)CCC1=O
MolPort-021-517-297 0.65 CC1CC(C)CC(C1)C(C)=O
MolPort-046-656-387 0.65 C[C@H](CO)C1CCCC(C)(C)C1
MolPort-002-910-741 0.65 CC(C)(O)C1CCC(C)(C)CC1
MolPort-002-910-720 0.65 CC1C(C)C2(CO)CCC1CC2
MolPort-042-621-875 0.65 C[C@H]1CC[C@@H](CC1)C=O
MolPort-002-910-692 0.65 CC12CCCC[C@@]1(C)C[C@H](O)CC2
MolPort-002-910-691 0.65 O[C@H]1CCCC2CCCCC12
MolPort-000-653-723 0.65 CCC12CC3CC(CC(O)(C3)C1)C2
MolPort-023-160-358 0.65 CCC1(C)CCC(=O)CC1
MolPort-001-781-872 0.65 CC1CCCCC1=O
MolPort-001-782-942 0.65 CC1(O)CCCCC1
MolPort-001-783-063 0.65 CCC(CC)C(O)=O
MolPort-002-894-342 0.65 O[C@@H]1CCC2CCCC[C@H]2C1
MolPort-002-894-317 0.65 CC(C)(O)C12CCC(C)(CC1)CC2
MolPort-002-637-632 0.65 OC1CCC2CCCCC2C1
MolPort-025-073-811 0.65 CC(C(C)=O)C12CC3CC(CC(C3)C1)C2
MolPort-000-698-899 0.65 CC(=O)CC(C)(C)C1CCCCC1
MolPort-001-787-697 0.65 CCC(=O)C1CCCCC1
MolPort-002-511-909 0.65 CC1CC[C@](C)(CO)C(C)C1
MolPort-016-637-172 0.65 C[C@H](O)C12CC3CC(CC(C3)C1)C2
MolPort-016-637-180 0.65 C[C@@H](O)C1CCCCC1
MolPort-016-637-181 0.65 C[C@H](O)C1CCCCC1
MolPort-000-692-445 0.65 OCCC12CC3CC(CC(C3)C1)C2
MolPort-000-692-446 0.65 CC(C)(CO)C12CC3CC(CC(C3)C1)C2
MolPort-000-692-447 0.65 CC12CC3CC(C)(C1)CC(O)(C3)C2
MolPort-000-692-448 0.65 CC1(O)C2CC3CC(C2)CC1C3
MolPort-002-507-440 0.65 CC(C)CC1C[C@@H](O)CC(C1)C(C)C
MolPort-001-791-494 0.65 OCCC1CCCCC1
MolPort-046-419-361 0.65 CCCCCCCCCCC1CCC(=O)CC1
MolPort-044-560-821 0.65 CCCCCCCC1CCC(=O)CC1
MolPort-046-664-198 0.65 C[C@@H](CO)C1CCCCC1C
MolPort-044-560-824 0.65 CCCCC[C@H]1CC[C@@H](CC1)C1CCC(CO)CC1
MolPort-002-506-992 0.65 CC(C)C(C)(C)C1CC(C)CCC1=O
MolPort-016-637-171 0.65 C[C@@H](O)C12CC3CC(CC(C3)C1)C2
MolPort-044-545-863 0.65 O=C1CCCC(C1)C1CCCC(=O)C1
MolPort-016-581-532 0.65 CC1(CCCCC1)C=O
MolPort-001-787-675 0.65 CC1(C)CCCCC1=O
MolPort-046-657-468 0.65 CC(CO)C1C2CC3CC(C2)CC1C3
MolPort-002-539-800 0.65 CCCC1CCC(C)CC1O
MolPort-046-657-470 0.65 CC(CO)C1CCC(CC1)C(C)(C)C
MolPort-046-657-473 0.65 CC(CO)C1CCCCC1(C)C
MolPort-002-539-119 0.65 CCCC(O)CCC1C(C)CCCC1(C)C
MolPort-038-949-708 0.65 CC12CCC(CC1)(CC2)C=O
MolPort-001-787-148 0.65 CC(O)C1CCCCC1
MolPort-020-008-546 0.65 CC1CCCC(CO)C1
MolPort-002-536-745 0.65 CC(C)[C@H]1CC[C@@H](C)CC1=O
MolPort-003-800-698 0.65 OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1
MolPort-000-692-439 0.65 OCC12CC3CC(CC(C3)C1)C2
MolPort-013-886-157 0.65 CCC(=O)CC1CCCCC1
MolPort-022-879-634 0.65 CC(=O)C1C2CC3CC(C2)CC1C3
MolPort-046-655-134 0.65 CCC(C)(C)C1CCC(CC1)[C@@H](C)CO
MolPort-001-529-099 0.65 CCC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-035-785-023 0.65 CC(=O)C1(C)CCCCC1
MolPort-046-659-517 0.65 C[C@H](CO)C1CCCCC1C
MolPort-001-779-796 0.65 OCC1CCCCC1
MolPort-044-422-606 0.65 C[C@H]1CC(=O)CC(C)(C)C1
MolPort-023-220-480 0.65 C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1C3
MolPort-002-524-100 0.65 CC(C)[C@H]1CC[C@@H](C)C[C@H]1O
MolPort-039-052-320 0.65 C[C@@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3
MolPort-046-659-520 0.65 C[C@H](CO)C(C)C1CCCCC1
MolPort-021-277-429 0.65 O=C1CCCC(C1)C1CCCCC1
MolPort-046-659-522 0.65 C[C@H](CO)C1CC(C)CC(C)(C)C1
MolPort-039-050-021 0.65 OCC12CCC(CC1)CC2
MolPort-009-197-838 0.65 OC[C@H]1CC[C@H](CO)CC1
MolPort-003-846-093 0.65 O=CCCC1CCCCC1
MolPort-003-659-868 0.65 CC(C)C1CCC(C)C(O)C1
MolPort-021-277-500 0.65 CC(C)CC1CCCC(=O)C1
MolPort-046-655-125 0.65 C[C@@H](CO)C1CCCCC1(C)C
MolPort-001-759-247 0.65 CC1CCC(O)CC1
MolPort-023-314-039 0.65 C[C@@H](O)C1CCC(C)(C)CC1
MolPort-046-653-300 0.65 CC(CO)C1CCC(C)(C)CC1
MolPort-028-747-159 0.65 CC[C@H]1CC[C@H](O)CC1
MolPort-001-760-909 0.65 CC(=O)C1CCCCC1
MolPort-028-747-287 0.65 CC1CCC(C)C(=O)C1
MolPort-001-756-386 0.65 O=CC1CCCCC1
MolPort-006-116-372 0.65 CC(C)CC1CCCCC1=O
MolPort-021-034-140 0.65 CC1CCCC(CCO)C1
MolPort-028-749-851 0.65 CC(C)(C)[C@H]1CC[C@H](O)CC1
MolPort-003-873-398 0.65 C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
MolPort-023-313-672 0.65 CC1(C)CCCC(CO)C1
MolPort-001-779-737 0.65 CC(C)C1CCC(C)CC1=O
MolPort-000-145-419 0.65 CC(C)(O)C12CC3CC(CC(C3)C1)C2
MolPort-001-761-245 0.65 C[C@@H]1CCCC[C@H]1O
MolPort-028-750-180 0.65 CC1CCC(=O)CC1C
MolPort-046-655-129 0.65 C[C@@H](CO)C1CCCC(C)(C)C1
MolPort-006-170-305 0.65 OCC1C2CC3CC(C2)CC1C3
MolPort-046-651-667 0.65 CCC(C)(C)C1CCC(CC1)[C@H](C)CO
MolPort-003-987-786 0.65 C[C@@H]1C[C@@H](O)CC(C)(C)C1
MolPort-003-848-489 0.65 [2H]C1([2H])C(C)CCC([2H])(C(C)C)C1([2H])O
MolPort-009-756-286 0.65 CCCC1(O)CCCCC1
MolPort-003-719-455 0.65 CCCCCC1CCC(CC1)C1CCC(CO)CC1
MolPort-004-964-260 0.65 OC1CCC(CC1)C1CCC(O)CC1
MolPort-013-886-361 0.65 CC(C)(C)C(=O)CC1CCCCC1
MolPort-023-314-016 0.65 C[C@H](O)C1CCC(C)(C)CC1
MolPort-000-653-411 0.65 O=C1C2CC3CC(C2)CC1C3
MolPort-027-835-584 0.65 CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@H](O)CC1
MolPort-003-939-731 0.65 CC1CCCC(C)(C)C1=O
MolPort-020-636-511 0.65 CCC(C)C(=O)C1CCCCC1CC
MolPort-035-757-791 0.65 CC(=O)C1CC2CCC1CC2
MolPort-003-996-065 0.65 OCCC12CC3CC(CC(CO)(C3)C1)C2
MolPort-035-765-156 0.65 CCC1CCC(C)CC1=O
MolPort-021-034-134 0.65 CC1CCCC(C1)C1CCCCC1O
MolPort-021-536-087 0.65 CC1CCC(CC1)C=O
MolPort-006-113-315 0.65 CCCC(=O)C1CCCCC1
MolPort-000-653-715 0.65 OCCCC12CC3CC(CC(C3)C1)C2
MolPort-006-113-234 0.65 CC1CCCCC1(C)O
MolPort-046-655-987 0.65 C[C@H](CO)C1CCC(C)(C)CC1
MolPort-006-112-968 0.65 CC(C)C(=O)C1CCCCC1
MolPort-001-759-945 0.65 CC(C)(C)C1CCC(O)CC1
MolPort-006-701-055 0.65 CC1(C)CCCC(=O)C1
MolPort-003-009-930 0.65 CCC(O)C12CC3CC(CC(C3)C1)C2
MolPort-006-112-785 0.65 CC(C)C1CCCCC1=O
MolPort-003-013-035 0.65 CCC(O)(CC)C12CC3CC(CC(C3)C1)C2
MolPort-006-710-209 0.65 O=CCC1CCCCC1
MolPort-039-332-612 0.65 C[C@H]1CC[C@H](CO)CC1
MolPort-004-766-788 0.65 CCCC1CCC(CC1)C=O
MolPort-014-214-480 0.65 CC(C)CC1CCCCC1O
MolPort-006-112-674 0.65 C[C@H]1C[C@@H](O)CC(C)(C)C1
MolPort-039-326-743 0.65 CC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
MolPort-006-112-324 0.65 CC1CCC(=O)C(C)C1
MolPort-046-655-982 0.65 C[C@H](CO)C1CCC(CC1)C(C)(C)C
MolPort-028-765-749 0.65 O=C1CCCCC11CCCCC1
MolPort-014-213-106 0.65 CCC1CC(C)CCC1=O
MolPort-027-759-413 0.65 CCCCCC1(CO)CCCCC1
MolPort-003-657-148 0.65 CC(C)C1CCCCC1O
MolPort-011-892-383 0.65 CC1CCCC(C)(O)C1
MolPort-003-657-149 0.65 CC(C)[C@H]1CCCC[C@@H]1O
MolPort-046-774-533 0.65 CC1CC2(C)CC(=O)CC(C)(C1)C2
MolPort-046-654-851 0.65 C[C@@H](CO)C1C2CC3CC(C2)CC1C3
MolPort-033-356-081 0.65 C[C@@H](O)CC1CCCCC1
MolPort-039-241-103 0.65 CC1(C)CCC(C)(CC1)C=O
MolPort-006-715-436 0.65 CCCCC[C@H]1CC[C@@H](CC1)C1CCC(=O)CC1
MolPort-003-938-268 0.65 CC1(C)CCC(=O)CC1
MolPort-023-332-918 0.65 OCC12CCC(CO)(CC1)CC2
MolPort-039-240-517 0.65 O=CC1CCC2(CCCCC2)CC1
MolPort-000-003-966 0.65 CC1(CO)CCCCC1
MolPort-046-654-850 0.65 C[C@@H](CO)C1(C)CCCCC1
MolPort-004-765-796 0.65 CCC1CCC(CC1)C=O
MolPort-046-653-595 0.65 CC(CO)C(C)(C)C1CCCCC1
MolPort-004-765-794 0.65 O=CC1CCC(CC1)C=O
MolPort-003-714-530 0.65 CCCCCCCCC12CCC(O)(CC1)CC2
MolPort-021-033-005 0.65 CCC1CCCC(C1)C=O
MolPort-021-517-374 0.65 CC1CC(C)CC(C1)C=O
MolPort-004-765-196 0.65 OC1CCC[C@H]2CCCC[C@@H]12
MolPort-003-900-971 0.65 CC1(C)CC(O)CC(C)(C)C1
MolPort-006-123-332 0.65 CC(C)(C)C1CCC(CO)CC1
MolPort-003-720-093 0.65 CC(O)CC12CC3CC(CC(C3)C1)C2
MolPort-006-123-331 0.65 CC(C)(C)C1CCC(CC1)C=O
MolPort-003-720-987 0.65 CCC1(O)C2CC3CC(C2)CC1C3
MolPort-027-949-820 0.65 CCC1(CC)CCC(=O)CC1
MolPort-035-785-374 0.65 OCCC1CCC(O)CC1
MolPort-006-123-079 0.65 CCC(C)(CC)C(O)=O
MolPort-003-926-874 0.65 CC1CCCC(O)C1C
MolPort-000-142-097 0.65 CC1(C)CCC(O)CC1
MolPort-046-655-126 0.65 C[C@@H](CO)C1CCC(C)(C)CC1
MolPort-006-122-567 0.65 CC(C)[C@@H]1CC[C@H](C)CC1=O
MolPort-013-430-300 0.65 CCC(CC)(CC)C(O)=O
MolPort-006-125-864 0.65 CC(C)C(O)C1CCCCC1
MolPort-003-919-369 0.65 OC1CCC(CC1)C1CCCCC1
MolPort-006-122-169 0.65 CCC(O)C1CCCCC1
MolPort-001-768-149 0.65 O=C1CCC2CCCCC2C1
MolPort-029-945-612 0.65 CC(C)(C)[C@@H]1CCCC[C@H]1O
MolPort-001-766-735 0.65 OC1C2CC3CC(C2)CC1C3
MolPort-033-356-078 0.65 C[C@H](O)CC1CCCCC1
MolPort-000-653-719 0.65 CC(C)(O)CC12CC3CC(CC(C3)C1)C2
MolPort-029-939-470 0.65 C[C@@H]1C[C@H](O)CC(C)(C)C1
MolPort-035-831-454 0.65 CC(=O)C12CCC(CC1)CC2
MolPort-006-126-855 0.65 CC(C)C1CCC2CC(O)CCC2C1
MolPort-001-766-736 0.65 OC12CC3CC(CC(C3)C1)C2
MolPort-021-033-004 0.65 CC1CCCC(C1)C=O
MolPort-046-691-953 0.65 CC(C)C1CC[C@H]2C(CC[C@H]3[C@](C)(CO)CCC[C@]23C)C1
MolPort-006-120-331 0.65 CC1CCCC(=O)C1C
MolPort-003-920-521 0.65 CCCCC1CCC(O)CC1
MolPort-006-119-641 0.65 CC(O)CCC1CCCCC1
MolPort-023-247-244 0.65 CC1(C)CCC(CC1)C=O
MolPort-020-746-182 0.65 CCC1CCCCC1C=O
MolPort-021-174-040 0.65 CC1(C)CCC(C)(O)CC1
MolPort-020-915-682 0.65 CC(C=O)C1CCCCC1
MolPort-003-921-022 0.65 CC(C)(C)C(O)C1CCCCC1
MolPort-012-194-011 0.65 CCC(C(C)C)C(O)=O
MolPort-003-921-231 0.65 CC(C)C1CCCC(=O)C1
MolPort-006-118-753 0.65 CC(C)(C1CCC(=O)CC1)C1CCC(=O)CC1
MolPort-023-274-360 0.65 CC(CCO)CCC1[C@](C)(O)CCC2C(C)(C)CCCC12C
MolPort-006-118-732 0.65 C[C@H]1CCCC[C@@H]1O
MolPort-001-769-119 0.65 CC(C)(C)C1CCCCC1=O
MolPort-046-766-521 0.65 CC1(O)CCCCC11CCCCC1
MolPort-023-278-578 0.65 CCCCC1CCC(=O)CC1
MolPort-006-117-528 0.65 CC1CCCC(C)(C)C1CCC(C)=O
MolPort-003-925-748 0.65 CC1CCCC(C)C1=O
MolPort-028-746-867 0.65 CC(C)[C@H]1CC[C@H](O)CC1
MolPort-013-299-703 0.65 CCCCC1CCC(CO)CC1
MolPort-006-715-376 0.65 CCC[C@H]1CC[C@@H](CC1)C1CCC(=O)CC1
MolPort-003-928-097 0.65 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O
MolPort-006-112-686 0.65 CC(C)(C)[C@@H]1CC[C@H](O)CC1
MolPort-013-331-233 0.65 CC(=O)CCC1CCCCC1
MolPort-006-123-418 0.65 CC(C)C1CCC(C)(O)CC1
MolPort-000-164-701 0.65 CC(=O)CC12CC3CC(CC(C3)C1)C2
MolPort-027-456-909 0.65 CC(C)C1CCC(CC1)C=O
MolPort-046-651-654 0.65 C[C@H](CO)C1(C)CCCCC1
MolPort-029-001-494 0.65 OC1CC2CCC1CC2
MolPort-003-926-143 0.65 OCC1CCC(CO)CC1
MolPort-011-284-659 0.65 CCC1CCCCC1=O
MolPort-003-926-168 0.65 CC1CC(C)CC(O)C1
MolPort-005-909-565 0.65 CC(O)C1(C)CC2C(CCCC2(C)C)CC1C
MolPort-003-926-247 0.65 OC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
MolPort-026-938-948 0.65 CCCC1CCC(CC1)C(C)=O
MolPort-046-651-659 0.65 C[C@H](CO)C1CCCCC1(C)C
MolPort-026-939-290 0.65 CC(C)C1CCC(CC1)C(C)=O
MolPort-046-651-655 0.65 C[C@H](CO)C1C2CC3CC(C2)CC1C3
MolPort-005-911-470 0.65 CCC(O)CCC1(C)CCC(C)CC1C
MolPort-001-759-246 0.65 CC1CCCCC1O
MolPort-027-677-644 0.65 CC(C)C1CCC(=O)CC1C
MolPort-001-769-150 0.65 CCC1CCC(=O)CC1
MolPort-006-110-572 0.65 CC(=O)CC1CCCCC1
MolPort-046-682-859 0.65 CC(O)[C@@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2
MolPort-012-497-612 0.65 CC1CCC(CC1)C(C)=O
MolPort-046-651-661 0.65 C[C@H](CO)C(C)(C)C1CCCCC1
MolPort-006-110-459 0.65 CCCC1CCCCC1=O
MolPort-023-222-337 0.65 CC(C)C1CC[C@@H](C)CC1O
MolPort-029-002-457 0.65 OCC1CC2CCC1CC2
MolPort-003-909-290 0.65 CCCCC(CC)CC1CCCCC1O
MolPort-027-471-428 0.65 CC1CCCCC1CO
MolPort-003-909-662 0.65 CCCC1CCCCC1O
MolPort-028-962-346 0.65 O=C1CC2CCC1CC2
MolPort-003-926-949 0.65 CCC1CCCCC1O
MolPort-046-760-699 0.65 C[C@H]1[C@@H](O)CC[C@H]2[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
MolPort-023-233-286 0.65 CC1(C)CCC(CO)CC1
MolPort-006-109-442 0.65 C[C@H]1CCC[C@@]2(C)CCCC[C@]12O
MolPort-021-518-158 0.65 CC1CC(C)CC(CCO)C1
MolPort-028-932-672 0.65 O=C1CC2CCCC(C2)C1
MolPort-035-785-390 0.65 CCC[C@H]1CC[C@H](O)CC1
MolPort-005-937-249 0.65 CCC1CCC(CC1)C1CCC(=O)CC1
MolPort-020-349-439 0.65 CC1CCC(CO)CC1
MolPort-006-106-413 0.65 CC(C)(O)C1CCCCC1
MolPort-003-910-490 0.65 CC1CC(C)CC(=O)C1
MolPort-023-331-476 0.65 CCCCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@H](O)CC1
MolPort-003-910-802 0.65 CC1CCC(O)C(C)C1
MolPort-005-940-693 0.65 CCCCCC1CCC(=O)CC1
MolPort-023-279-037 0.65 CCCC[C@H]1CC[C@@H](CC1)C1CCC(=O)CC1
MolPort-006-111-479 0.65 CC1CCC(CC1)C(C)(C)O
MolPort-003-911-357 0.65 CC1(C)CCCC(O)C1
MolPort-000-141-911 0.65 CCCC1CCC(O)CC1
MolPort-001-762-626 0.65 OC12CCCC(CCC1)C2
MolPort-006-111-636 0.65 OC1CCCC2CCCCC12
MolPort-003-917-095 0.65 O=C1CCCC2(CCCCC2)C1
MolPort-025-914-092 0.65 CC1(C)CCCCC1CO
MolPort-001-762-695 0.65 O=C1C2CCCC1CCC2
MolPort-011-892-368 0.65 CC(C)C1(O)CCCCC1
MolPort-035-831-114 0.65 CCC(C)(C)C1CCC(CCO)CC1
MolPort-027-759-329 0.65 CC(C)CC1(CO)CCCCC1
MolPort-003-911-708 0.65 CC(C1CCCCC1)C(C)=O
MolPort-025-913-218 0.65 CC1(C)CCCCC1O
MolPort-003-911-880 0.65 CCC1CCC(O)CC1
MolPort-035-679-028 0.65 CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@H](CO)CC1
MolPort-021-225-098 0.65 CC1(C)CCCC(C)(O)C1
MolPort-005-977-316 0.65 CC(C)(C1CCCCC1)C1CCC(=O)CC1
MolPort-001-769-181 0.65 CCCC1CCC(=O)CC1
MolPort-027-720-669 0.65 C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
MolPort-003-912-446 0.65 CCC(C)(C)C1CCC(=O)CC1
MolPort-025-073-816 0.65 CC1CCCCC1C(C)=O
MolPort-001-762-710 0.65 CC(C)CC1(CC(C)=O)CCCCC1
MolPort-006-823-020 0.65 [2H]C([2H])([2H])[C@]12CCCC[C@]1(O)[C@@H](C)CCC2
MolPort-001-769-168 0.65 CC1CCC(=O)CC1
MolPort-007-549-211 0.65 O=C1CCC(CC1)C1CCC(=O)CC1
MolPort-003-932-242 0.65 CC(C)(C1CCC(O)CC1)C1CCC(O)CC1
MolPort-003-941-513 0.65 C[C@@H]1CCC[C@]2(C)CCCC[C@@]12O
MolPort-001-765-872 0.65 CC1CC(C(O)C(C1)C(C)(C)C)C(C)(C)C
MolPort-023-329-982 0.65 O=C1CCC2(CCCCC2)CC1
MolPort-003-914-310 0.65 CCC(C)C1CCCCC1=O
MolPort-023-331-475 0.65 CCCCC[C@H]1CC[C@H](CCC2CCC(=O)CC2)CC1
MolPort-003-910-288 0.65 CCCCC1(O)CCCCC1
MolPort-001-794-190 0.65 OCCCC1CCCCC1
MolPort-000-653-721 0.65 CC(O)C12CC3CC(CC(C3)C1)C2
MolPort-044-729-560 0.65 CC1CCC(C)C(=O)C1C
MolPort-000-732-911 0.65 CCCCCCCC1CCCCC1O
MolPort-019-878-020 0.65 CCCCC1(O)C2CC3CC(C2)CC1C3
MolPort-002-486-945 0.65 CC12CC3(C)CC(C)(C1)CC(CCO)(C2)C3
MolPort-001-792-857 0.65 CC1CCC(C)C(O)C1
MolPort-046-667-016 0.65 CCC(C)(C)C1CCC(CC1)C(C)CO
MolPort-001-792-997 0.65 CC1CCCC(C)C1O
MolPort-000-745-744 0.65 CC(C)(C)C1CCC(=O)CC1
MolPort-022-370-040 0.65 O=CC1C2CC3CC(C2)CC1C3
MolPort-001-792-998 0.65 O=C1CCCC2CCCCC12
MolPort-022-368-995 0.65 CC(C)C(C(O)=O)C(C)(C)C
MolPort-019-879-469 0.65 C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3
MolPort-019-903-596 0.65 CCC[C@H]1CC[C@H](CCC2CCC(=O)CC2)CC1
MolPort-022-368-349 0.65 CC(C)(C=O)C1CCCCC1
MolPort-022-366-227 0.65 O=CC1CC2CCC1CC2
MolPort-000-881-813 0.65 CC1(C)CCCC(C)(C)C1=O
MolPort-019-992-917 0.65 C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
MolPort-022-373-545 0.65 O=CCC12CC3CC(CC(C3)C1)C2
MolPort-046-667-143 0.65 C[C@@H](CO)C1CCC(CC1)C(C)(C)C
MolPort-000-727-952 0.65 CC1CC(O)CC(C)(C)C1
MolPort-002-506-905 0.65 CC1CCC(C)(CO)C(C)C1
MolPort-000-701-638 0.65 CC1CCC(CO)C(C)C1
MolPort-046-419-270 0.65 CCCCCCC1CCC(=O)CC1
MolPort-021-452-821 0.65 CC(CC1CCCCC1)C=O
MolPort-002-501-745 0.65 CC(C)C1CCC(O)CC1
MolPort-002-501-646 0.65 O=C1CCCCC1C1CCCCC1
MolPort-002-501-631 0.65 CC(C)C1CCC(=O)CC1
MolPort-044-618-475 0.65 CC1CCC(C)(C)CC1=O
MolPort-046-419-223 0.65 CCCCCCCCC1CCC(=O)CC1
MolPort-020-166-495 0.65 CCC1CCCC(O)C1
MolPort-001-791-996 0.65 CC1CCCC(O)C1
MolPort-046-664-203 0.65 C[C@@H](CO)C1CC(C)CC(C)(C)C1
MolPort-000-716-933 0.65 CC(C)CCC1CCCCC1O
MolPort-019-639-539 0.65 CC(C)C1(O)C2CC3CC(C2)CC1C3
MolPort-044-723-543 0.65 C[C@H]1CC[C@@H](CC1)C1CCC(=O)CC1
MolPort-045-971-583 0.65 OCCC1C2CC3CC(C2)CC1C3
MolPort-001-793-291 0.65 CC1CC(=O)CC(C)(C)C1
MolPort-002-506-927 0.65 CC(C)C(C)(C)C1CCC(=O)C(C)C1
MolPort-001-793-832 0.65 CCC(CC)CC1CCCCC1O
MolPort-001-913-567 0.65 CCCCCC1C2CC3CC(C2)CC1(O)C3
MolPort-046-158-490 0.65 C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(CC[C@]12C)C=O
MolPort-046-158-501 0.65 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C
MolPort-001-793-904 0.65 CC(C)(C)C1CCCCC1O
MolPort-001-793-975 0.65 OC(C1CCCCC1)C1CCCCC1
MolPort-001-793-976 0.65 CC1CCC(O)CC1C
MolPort-001-817-487 0.65 O=C1C(CCCC1C1CCCCC1)C1CCCCC1
MolPort-001-816-446 0.65 CC12CC3CC(C1)CC(O)(C3)C2
MolPort-001-815-940 0.65 OC1CCCCC1C1CCCCC1
MolPort-021-454-234 0.65 CC(CO)CC1CCCCC1
MolPort-046-202-647 0.65 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C=O
MolPort-001-794-533 0.65 O=C1CCC(CC1)C1CCCCC1
MolPort-046-202-997 0.65 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CO
MolPort-001-794-008 0.65 C[C@@H]1CCCC(=O)C1
MolPort-046-668-815 0.65 C[C@@H](CO)CCC1CCCCC1
MolPort-046-158-485 0.65 CC1(C)CCC[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)[C@@H]3CC[C@@]12C
MolPort-001-933-628 0.65 CCCC1CCC(CC1)C1CCC(O)CC1
MolPort-046-014-744 0.65 CC(C)[C@@H]1CCCC[C@H]1O
MolPort-001-793-761 0.65 CC(CO)C1CCCCC1
MolPort-001-793-304 0.65 CC1CCCC(=O)C1
MolPort-046-024-899 0.65 CC(C)[C@@H]1CC[C@H](O)CC1
MolPort-002-132-907 0.65 OCCC12CC3CC(C1)CC(CCO)(C3)C2
MolPort-001-793-305 0.65 CC1(C)CC(=O)CC(C)(C)C1
MolPort-001-793-317 0.65 CCC(C)(C)C1CCC(O)CC1
MolPort-001-793-325 0.65 O=C(C1CCCCC1)C1CCCCC1
MolPort-001-793-331 0.65 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O
MolPort-002-070-244 0.65 O=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
MolPort-046-667-192 0.65 C[C@@H](CO)C(C)(C)C1CCCCC1
MolPort-001-793-392 0.65 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
MolPort-001-793-642 0.65 CC(C)[C@@H]1CC[C@@H](C)CC1=O
MolPort-000-849-729 0.65 CC(C)C1CCC(C)CC1O
MolPort-001-793-652 0.65 C[C@H]1CC[C@H](O)CC1
MolPort-002-039-610 0.65 OCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
MolPort-001-956-098 0.65 CCCCCC1CCC(CC1)C1CCC(O)CC1
MolPort-046-664-201 0.65 C[C@@H](CO)C(C)C1CCCCC1
MolPort-020-479-493 0.65 CC1(C)CCCC(C1)C=O
MolPort-000-653-722 0.65 CC12CC3CC(C)(C1)CC(CO)(C3)C2
MolPort-046-656-514 0.65 CC(CO)C1CC(C)CC(C)(C)C1
MolPort-046-657-467 0.65 CC(CO)C1(C)CCCCC1
MolPort-000-653-727 0.65 OCC1CC2CC(O)CC(C1)C2
MolPort-014-956-088 0.65 O=CC12CC3CC(CC(C3)C1)C2
MolPort-015-137-501 0.65 CCCCCC1CCC(O)CC1
MolPort-002-808-194 0.65 CCCC12CC3CC(CC(O)(C3)C1)C2
MolPort-015-137-509 0.65 CC(C)C1CCC(CO)CC1
MolPort-044-175-479 0.65 O=C1CCC[C@@H]2CCCC[C@@H]12
MolPort-002-798-551 0.65 CCCC12CCC(O)(CC1)CC2
MolPort-002-726-679 0.65 CCCCC(=O)C(CCC)C12CC3CC(CC(C3)C1)C2
MolPort-002-726-673 0.65 CCC(=O)C(C)C12CC3CC(CC(C3)C1)C2
MolPort-016-578-489 0.65 CCC1CCCC(=O)C1
MolPort-002-697-691 0.65 CCC1(O)CCCCC1
MolPort-002-697-690 0.65 CC1CCC(CCO)CC1
MolPort-002-675-099 0.65 CC1CCC(C=O)C(C)C1
MolPort-000-653-735 0.65 CC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-042-682-830 0.65 CC[C@H]1CC[C@@H](CC1)C1CCC(=O)CC1
MolPort-002-894-214 0.65 CC12CC3(C)CC(C)(C1)CC(O)(C2)C3
MolPort-002-560-269 0.65 CC(C)CC[C@H]1CCCCC1O
MolPort-002-894-304 0.65 NC(=O)C1CCCCC1C(O)=O
MolPort-005-945-548 0.65 CC(=C)C1CCC2(CCC3(C(CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C12)C(O)=O)C(O)=O
MolPort-000-764-971 0.65 COC(=O)CCCCC(=O)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
MolPort-042-624-405 0.65 OC(=O)C12CC3(F)CC(F)(CC(F)(C3)C1)C2
MolPort-044-182-008 0.65 OC(=O)C12CCC(F)(CC1)C2
MolPort-044-182-018 0.65 CCOC(=O)CC12CCC(CC1)(C2)C(=O)OCC
MolPort-042-623-169 0.65 COC(C1CCCCC1)C(=O)OC
MolPort-001-917-462 0.65 OC(=O)CC12CC3CC(Br)(CC(Br)(C3)C1)C2
MolPort-027-950-515 0.65 COC(=O)C12CCC(C1)(CCC2)C(=O)OC
MolPort-044-181-964 0.65 CCOC(=O)C12CCC(CC1)(CCC2)C(=O)OCC
MolPort-002-137-081 0.65 CCCC(=O)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
MolPort-000-252-835 0.65 CC1(C)C(=C)C2CCC1(C2)C(O)=O
MolPort-004-769-366 0.65 NC1(CCC(=O)CC1)C(O)=O
MolPort-002-137-080 0.65 COC(=O)C1C(=O)C(C(C)=O)C(=O)CC1(C)C
MolPort-042-621-540 0.65 OC(=O)C1CCC2C(C1)C2(F)F
MolPort-044-182-019 0.65 CCOC(=O)C12CCC(C)(CC1)C2
MolPort-044-181-963 0.65 CCOC(=O)C12CCC(CC1)(CCC2)C(O)=O
MolPort-044-559-350 0.65 OC(=O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F
MolPort-005-942-304 0.65 COC(=O)C1CCCCC1C(=O)OC
MolPort-044-594-500 0.65 N[C@@H]1C[C@@H](CC[C@@H]1O)C(O)=O
MolPort-002-507-803 0.65 NC(=O)CC1(CC(O)=O)CCCCC1
MolPort-028-805-138 0.65 CCOC(=O)CCC1CC2CCC1C2
MolPort-002-508-675 0.65 CCCCCCCCCCCC(=O)C1C(=O)CCC(C(=O)OC)C1=O
MolPort-011-284-402 0.65 CCOC(=O)C1CC2CCC1C2
MolPort-023-332-279 0.65 COC(=O)[C@@H]1CCCC[C@H]1C(=O)OC
MolPort-039-141-910 0.65 NC(=O)[C@H]1CCCC[C@@H]1C(O)=O
MolPort-002-508-873 0.65 COC(=O)C1CCC(=O)C(C(C)=O)C1=O
MolPort-005-904-624 0.65 CCCCCCCCCCCCC#CCCCCCCCCC(O)=O
MolPort-039-141-768 0.65 NC(=O)[C@@H]1CCCC[C@H]1C(O)=O
MolPort-046-675-317 0.65 OC(=O)C1(F)C2CCCCC12
MolPort-002-509-236 0.65 CCCCCCCCCCCCCCCCCC(=O)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
MolPort-039-062-233 0.65 N[C@@H](C(O)=O)[C@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2
MolPort-039-241-670 0.65 NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O
MolPort-003-803-549 0.65 COC(=O)C1(CC(O)=O)CCCCC1
MolPort-028-754-122 0.65 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)[C@@]4(C)C(O)=O
MolPort-044-768-325 0.65 OC(=O)C1(CCC(=O)CC1)C#N
MolPort-044-622-884 0.65 COC(=O)[C@@H]1CCCC[C@@H]1C(O)=O
MolPort-016-637-900 0.65 NC(=O)C1CCCC(C1)C(O)=O
MolPort-002-510-415 0.65 COC(=O)C1CC2CC(CC(C(=O)OC)C2=O)C1=O
MolPort-022-384-910 0.65 COC(=O)C12CCC(C1)(CCC2)C(O)=O
MolPort-044-660-767 0.65 OC(=O)C1C[C@H]2[C@@H](C1)C2(F)F
MolPort-022-375-923 0.65 CCCOC1CCC(CC1)C(O)=O
MolPort-046-764-109 0.65 N[C@H](C(O)=O)[C@@]12C[C@@H]3C[C@H](C[C@@](O)(C3)C1)C2
MolPort-003-248-840 0.65 OC(=O)C12CC3(Br)CC(Br)(CC(Br)(C3)C1)C2
MolPort-005-934-339 0.65 COC(=O)C1CC(O)CC(O)C1
MolPort-004-963-538 0.65 COC(=O)[C@@H](CC1CCCCC1)CC(O)=O
MolPort-039-013-224 0.65 CCOC(=O)C1CC11CCC(=O)CC1
MolPort-046-766-438 0.65 Cl.NC(C1CC2CC2C1)C(O)=O
MolPort-004-952-385 0.65 CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-002-524-472 0.65 CCOC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-044-429-067 0.65 OC(=O)C1C2CCC(C2)C1C(F)(F)F
MolPort-046-140-318 0.65 OC(=O)C12CC3CC(F)(CC(F)(C3)C1)C2
MolPort-046-736-820 0.65 OC(=O)C12CCC(CC1(F)F)C2
MolPort-046-430-676 0.65 Cl.NC1(CCCC2CC12)C(O)=O
MolPort-046-530-730 0.65 Cl.NC1(CC2CCC(C2)C1)C(O)=O
MolPort-046-639-002 0.65 OC(=O)C1CCC(CC1C(F)(F)F)C(F)(F)F
MolPort-046-203-239 0.65 OC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F
MolPort-021-804-488 0.65 CC12CCC(CC1C(=C)CC(O)C2)C(=C)C(O)=O
MolPort-006-127-262 0.65 CCOC(=O)CC1CC2CCC1C2
MolPort-000-145-765 0.65 OC(=O)C12CC3CC(C1)CC(C3)(C2)C(F)(F)C(F)C(F)(F)F
MolPort-001-835-975 0.65 COC(=O)C1CCCCC1C(O)=O
MolPort-001-794-064 0.65 COC(=O)[C@H]1CCCC[C@@H]1C(O)=O
MolPort-035-775-185 0.65 OC(=O)C1CC2C(C1)C2(F)F
MolPort-001-794-063 0.65 COC(=O)[C@H]1CCCC[C@H]1C(O)=O
MolPort-035-706-375 0.65 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O
MolPort-027-945-598 0.65 COC(=O)CCC(=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
MolPort-034-644-333 0.65 CCC(C)OC1CCC(CC1)C(O)=O
MolPort-031-658-980 0.65 COC(=O)C1CCC(CC1)OC(C)C
MolPort-046-774-434 0.65 N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1C(O)=O
MolPort-046-419-916 0.65 Cl.NC1(CCC2CC12)C(O)=O
MolPort-046-419-806 0.65 COC(=O)C1C2CCC(C2)CC1=O
MolPort-046-790-506 0.65 CC(=O)CCC[C@]1(C)CC[C@H](CC1=O)C(=C)C(O)=O
MolPort-006-170-313 0.65 N[C@H](C(O)=O)C12CC3CC(CC(O)(C3)C1)C2
MolPort-023-278-975 0.65 COC(=O)[C@@H]1CCCC[C@H]1C(O)=O
MolPort-035-775-023 0.65 OC(=O)C1C2CC(F)(F)CC12
MolPort-001-756-774 0.65 COC(=O)C1C(=O)CC(=O)CC1(C)C
MolPort-021-545-674 0.65 OC(=O)C1(O)CCC(CC1)C(F)(F)F
MolPort-007-980-954 0.65 CCOC(=O)CC[C@@H](C)[C@H]1CCC2C3CCC4C[C@H](O)CCC4(C)[C@H]3C[C@H](O)C12C
MolPort-001-816-960 0.65 COC(=O)C1C(C)CC(=O)CC1=O
MolPort-046-196-314 0.65 COC(=O)[C@@H]1CCCC[C@@H]1C([O-])=O
MolPort-046-596-336 0.65 CCOC(=O)CCC(C)C1CC[C@H]2C3CCC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-023-282-279 0.65 NC(=O)C1(CCCCC1)C(O)=O
MolPort-046-736-380 0.65 OC(=O)[C@@H]1[C@H]2CC(F)(F)C[C@@H]12
MolPort-038-356-176 0.65 OC(=O)C1(CC2CCC1C2)C(F)(F)F
MolPort-001-742-497 0.65 CCCCCCCCC#CCCCCCCCC(O)=O
MolPort-046-791-153 0.65 OC(=O)[C@@H]1C[C@H]2C[C@@H]1C(F)(F)C2
MolPort-001-741-019 0.65 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@@]34C)C(O)=O)C12)C(O)=O
MolPort-023-278-186 0.65 OC(=O)C1CCC(O)(CC1)C(F)(F)F
MolPort-001-781-537 0.65 COC(=O)[C@H]1CCCC[C@H]1C(=O)OC
MolPort-046-417-382 0.64 C.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
MolPort-004-963-967 0.64 OC(C=O)C(O)C(O)C(O)C(O)=O
MolPort-021-073-049 0.64 CCOCCCCCC(O)=O
MolPort-023-198-162 0.64 Cl.CCC(C)CC(N)C(O)=O
MolPort-046-657-320 0.64 C[C@@H](CCCC(F)(F)F)C(O)=O
MolPort-022-383-721 0.64 CC(C)CCC(Br)C(O)=O
MolPort-033-481-699 0.64 OC(=O)CCCCC(F)(F)F
MolPort-006-111-917 0.64 O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
MolPort-046-790-740 0.64 Cl.CCC(CC)C[C@H](N)C(O)=O
MolPort-006-110-370 0.64 O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O
MolPort-022-461-038 0.64 COC(=O)CC(C)(C)CC(C)=O
MolPort-044-561-354 0.64 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)CO
MolPort-035-941-884 0.64 NC1CC(CC(O)=O)C1
MolPort-000-698-427 0.64 O.O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
MolPort-029-670-687 0.64 COC(C=O)C1CCCC1
MolPort-046-657-796 0.64 CC(C1CC(F)C1)C(O)=O
MolPort-035-385-843 0.64 OC(=O)CC1(CCC1)C#N
MolPort-005-312-711 0.64 Cl.CC(C)CCC(C)(N)C(O)=O
MolPort-037-963-463 0.64 CCCCC(F)C(O)=O
MolPort-027-655-402 0.64 Cl.CC(N)CCCC(O)=O
MolPort-046-673-364 0.64 Cl.CCCCC(C)(N)C(O)=O
MolPort-046-659-180 0.64 C[C@@H](C1CC(F)C1)C(O)=O
MolPort-020-004-115 0.64 Cl.CC(C)CC[C@H](N)C(O)=O
MolPort-013-104-130 0.64 COCC(=O)C1CCCC1
MolPort-035-831-575 0.64 Cl.CC(C)(C)CCC(C)(N)C(O)=O
MolPort-044-558-976 0.64 OC(=O)CC12CC(F)(C1)C2
MolPort-046-660-406 0.64 C[C@H](C1CC(F)C1)C(O)=O
MolPort-046-657-644 0.64 C[C@H](CCCC(F)(F)F)C(O)=O
MolPort-000-000-931 0.64 N[C@@H](CC1CC1)C(O)=O
MolPort-013-677-806 0.64 COCCC1CCCC1=O
MolPort-022-257-725 0.64 NCC1(CC(O)=O)CCC1
MolPort-001-779-710 0.64 CCCCC(Br)C(O)=O
MolPort-042-684-036 0.64 COC(=O)CC(C)CC(C)=O
MolPort-008-268-116 0.64 N[C@@H](CCC(O)=O)CC(O)=O
MolPort-046-672-721 0.64 CC12CC(C1)(C2)C(N)C(O)=O
MolPort-001-793-911 0.64 NC(CCC(O)=O)CC(O)=O
MolPort-028-962-311 0.64 O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
MolPort-008-268-125 0.64 N[C@H](CCC(O)=O)CC(O)=O
MolPort-005-942-907 0.64 N[C@H](C1CCC1)C(O)=O
MolPort-046-149-098 0.64 Cl.CC(C)CC(C)C(N)C(O)=O
MolPort-046-702-522 0.64 O[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
MolPort-029-078-297 0.64 OC(=O)CC1CC(F)C1
MolPort-046-149-092 0.64 Cl.N[C@@H](CC(O)=O)C1CC1