SANC00950 Orobol




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-046-761-809 1 CC(C)[C@@H]1CC[C@]2(C)C3CCC(=C)[C@@H]2C13
MolPort-004-956-468 1 CC1(C)C2CC1C(=C)CC2
MolPort-046-761-809 1 CC(C)[C@@H]1CC[C@]2(C)C3CCC(=C)[C@@H]2C13
MolPort-002-512-433 1 CC1(C)[C@@H]2C[C@H]1C(=C)CC2
MCULE-6891042715 1 C1(C2=COC3=CC(O)=CC(O)=C3C2=O)=CC=C(O)C(O)=C1
MCULE-7951276168 0.98 C1(C2C=CC(O)=C(O)C=2)=COC2=C(C=CC(O)=C2)C1=O
MolPort-044-560-776 0.93 CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-035-759-252 0.93 CCCCCC1CCC(CC1)C1CCC(CC1)C=C
MolPort-044-560-715 0.93 CCCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-046-156-440 0.93 CCCCC1CCC(CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-020-002-015 0.93 C=C1C2CC3CC(C2)CC1C3
MolPort-046-156-440 0.93 CCCCC1CCC(CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-046-793-126 0.93 CC(=C)C1CCC(C)(C)CC1(C)C
MolPort-021-452-082 0.93 CC(=C)C1CCCCC1
MolPort-021-452-023 0.93 CC1(C)CCC(=C)CC1
MolPort-023-331-505 0.93 CCCC1CCC(CC1)C1CCC(CC1)C=C
MolPort-023-331-543 0.93 CCCCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-035-759-252 0.93 CCCCCC1CCC(CC1)C1CCC(CC1)C=C
MolPort-044-560-715 0.93 CCCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-044-560-776 0.93 CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-021-452-023 0.93 CC1(C)CCC(=C)CC1
MolPort-023-331-543 0.93 CCCCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=C
MolPort-023-331-505 0.93 CCCC1CCC(CC1)C1CCC(CC1)C=C
MolPort-020-002-015 0.93 C=C1C2CC3CC(C2)CC1C3
MolPort-046-793-126 0.93 CC(=C)C1CCC(C)(C)CC1(C)C
MolPort-021-452-082 0.93 CC(=C)C1CCCCC1
MolPort-001-759-936 0.93 C=CC1CCCCC1
MCULE-5460402516 0.92 C1(=O)C(C2C=CC=CC=2)=COC2=CC(O)=CC(O)=C12
MCULE-3233025251 0.92 C12C=C(C=C(O)C=1C(=O)C(C1=CC=C(OC)C(O)=C1)=CO2)O
MCULE-4857649752 0.92 C1(=O)C(C2C=CC(=CC=2)O)=COC2C=C(O)C=C(O)C1=2
MCULE-2615476821 0.91 C1(O)C=C2OC=C(C3C=C(OC)C(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-7559555984 0.90 O(C)C1C(O)=CC(C2=COC3C(C2=O)=CC=C(O)C=3)=CC=1
MCULE-8922782143 0.89 C1(C2C(C3=C(O)C=CC=C3OC=2)=O)C=CC(O)=CC=1
MCULE-4263332259 0.89 C1(O)C=C2OC=C(C3C=CC(O)=CC=3)C(=O)C2=CC=1O
MCULE-2300247929 0.89 C1(=O)C(C2=CC=C(C(OC)=C2)OC)=COC2=CC(O)=CC(O)=C12
MCULE-8988577922 0.89 C1(O)C=C2OC=C(C3C=C(OC)C(O)=CC=3)C(=O)C2=CC=1
MCULE-8239511422 0.89 C1(C2=CC=C(C=C2)O)=COC2=C(C=CC(O)=C2)C1=O
MolPort-001-785-795 0.87 CC1(C)C2CCC(C2)C1=C
MolPort-030-334-629 0.87 CC1(C)C2CCC(C)(C2)C1=C
MolPort-000-734-916 0.87 CC1(C)C2CCC1(C)C(=C)C2
MolPort-030-334-629 0.87 CC1(C)C2CCC(C)(C2)C1=C
MCULE-8497694940 0.87 C1(C2C=CC=CC=2)=COC2C(=CC=C(O)C=2)C1=O
MCULE-4290705490 0.87 C1(O)C=C2OC=C(C3C=C(OC)C=C(O)C=3)C(=O)C2=CC=1
MCULE-5853302335 0.87 C1(=COC2=CC(=CC=C2C1=O)O)C1C=CC=C(OC)C=1
MCULE-7108128275 0.87 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(O)C=2)C1=O
MCULE-1263803416 0.87 C1(C2C=CC=CC=2)=COC2=C(C=C(C(O)=C2)O)C1=O
MolPort-001-756-639 0.86 CCCCCCCC(C)=C
MolPort-046-702-275 0.86 C=CCCCCCCCCCCCCCCCCC=C
MolPort-001-756-620 0.86 CCCCCCC=C
MolPort-001-756-641 0.86 CCCCCCCCCC(C)=C
MolPort-001-756-622 0.86 CCCCCCCCC=C
MolPort-001-756-623 0.86 CCCCCCCCCC=C
MolPort-001-756-636 0.86 CCCCCC(C)=C
MolPort-001-756-625 0.86 CCCCCCCCCCC=C
MolPort-001-756-640 0.86 CCCCCCCCC(C)=C
MolPort-001-792-158 0.86 CCCCCCCCCCCCC=C
MolPort-001-756-642 0.86 CCCCCCCCCCC(C)=C
MolPort-016-580-602 0.86 C=CCCCCCCCCC=C
MolPort-028-746-648 0.86 C=CCCCCCCCC=C
MolPort-035-779-714 0.86 CC(=C)CCCC(C)(C)C
MolPort-046-702-275 0.86 C=CCCCCCCCCCCCCCCCCC=C
MolPort-028-747-083 0.86 CC(C)CCCC(C)=C
MolPort-001-762-077 0.86 C=C1CCCCCCCCCCC1
MolPort-035-779-714 0.86 CC(=C)CCCC(C)(C)C
MolPort-028-747-083 0.86 CC(C)CCCC(C)=C
MolPort-028-746-648 0.86 C=CCCCCCCCC=C
MolPort-001-781-923 0.86 C=C1CCCCC1
MolPort-006-113-447 0.86 CCCCCCCCCCCCCCCCCCCCC=C
MolPort-003-932-163 0.86 CC(C)CCCC(C)C=C
MolPort-003-928-062 0.86 CCCCCCCCCCCCCC=C
MolPort-003-926-045 0.86 C=CCCCCCCC=C
MolPort-001-787-067 0.86 CCCCCCCCCCCCCCC=C
MolPort-001-787-058 0.86 CCCCCCCCCCCCCCCCC=C
MolPort-003-927-351 0.86 CCCCCCCCCCCCCCCCCCC=C
MCULE-3526258136 0.86 C1(O)C=C2OC=C(C3C=C(O)C(OC)=CC=3)C(=O)C2=CC=1OC
MCULE-9474592036 0.86 C1(=O)C(C2=CC=C(C(OC)=C2)OC)=COC2=CC(O)=CC(OC)=C12
MCULE-6764919720 0.85 C1(=O)C(C2C=CC(=CC=2)OC)=COC2=CC(O)=CC(O)=C12
MCULE-5225351097 0.85 C1(=O)C(C2C=CC(=C(OC)C=2)OC)=COC2C=C(C=C(OC)C1=2)OC
MCULE-8768527753 0.85 O(C)C1C(OC)=CC(C2=COC3=CC(O)=C(OC)C(=C3C2=O)O)=CC=1O
MCULE-9961116909 0.85 C12C=CC(O)=C(O)C=1OC=C(C1C=CC(O)=CC=1)C2=O
MCULE-2811561827 0.85 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OC)C=2)C1=O
MCULE-9057660515 0.84 C1(O)C=C2OC=C(C3C(O)=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-2089260732 0.84 C1(C=C2OC=C(C(C2=C(C=1OC)O)=O)C1C=CC(O)=CC=1)O
MCULE-2935756120 0.84 C1(C2=CC=CC=C2)=COC2C(=CC=C(O)C=2C)C1=O
MCULE-4273841548 0.84 C1(=O)C(C2C=CC(=CC=2)Br)=COC2C=C(O)C=C(O)C1=2
MCULE-3738814984 0.83 C1(=O)C(C2C=CC(=CC=2)Cl)=COC2C=C(O)C=C(O)C1=2
MCULE-3534687753 0.83 COC1=CC=C(C2C(=O)C3=C(C=C(C=C3O)OC)OC=2)C=C1
MCULE-4171151967 0.83 C1(C2=CC=C(C=C2)OC)=COC2C(=CC=C(O)C=2)C1=O
MCULE-9899209786 0.83 C1(=O)C(C2C=CC(=CC=2)F)=COC2C=C(O)C=C(O)C1=2
MCULE-2663052506 0.83 C1(OC)C=C2OC=C(C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-4742524256 0.83 C1(O)C=C2OC=C(C3C(O)=CC(O)=CC=3)C(=O)C2=CC=1
MCULE-1027180042 0.83 C12C=C(C(O)=CC=1OC=C(C1C=CC(OC)=CC=1)C2=O)O
MCULE-2664679319 0.82 C1(C2C=CC(=CC=2)Br)=COC2C(=CC=C(O)C=2)C1=O
MCULE-4175634173 0.82 C1(O)C=C2OC=C(C3C=CC(O)=CC=3)C(=O)C2=CC=1OC
MCULE-4576930247 0.82 C1(OC)C=C2C(C(=O)C(=CO2)C2C=C(OC)C(OC)=CC=2)=CC=1OC
MCULE-1495493639 0.82 COC1C=C2C(C(C(C3C=CC(O)=CC=3)=CO2)=O)=CC=1
MCULE-8116746802 0.82 C1(C2=CC=CC=C2C)=COC2C(=CC=C(O)C=2)C1=O
MCULE-3022390938 0.82 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OCC)C=2)C1=O
MCULE-4609929478 0.82 C1(C=C2OC=C(C(C2=C(C=1)OC)=O)C1C=CC(O)=CC=1)O
MCULE-4910359013 0.82 C12C=C(C=C(O)C=1C(=O)C(=C(C)O2)C1=CC=CC=C1)O
MolPort-003-959-824 0.81 C=CC1CCC(C=C)C(C1)C=C
MolPort-044-559-858 0.81 CC(=C)[C@H]1CC[C@@](C)(C=C)[C@H](C1)C(C)=C
MolPort-002-512-059 0.81 CC(=C)[C@]12C[C@]3(C)CCC1[C@]3(C)CCC2
MolPort-002-511-771 0.81 C[C@]12CCCC(C)(C)[C@H]3C(CCC13)C2=C
MolPort-020-005-674 0.81 CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C
MolPort-046-196-927 0.81 C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)C2=C
MolPort-006-115-296 0.81 CC(C)C12CC1C(=C)CC2
MolPort-046-196-927 0.81 C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)C2=C
MolPort-044-559-858 0.81 CC(=C)[C@H]1CC[C@@](C)(C=C)[C@H](C1)C(C)=C
MolPort-020-005-674 0.81 CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C
MCULE-5330395652 0.81 C1(C2C=CC=C(OC)C=2)=COC2C(=CC(=C(OC)C=2)OC)C1=O
MCULE-1945750988 0.81 C1(C2C=CC(=CC=2)OC)=COC2C(=CC=C(OC)C=2)C1=O
MCULE-7064090251 0.81 C1(C=C2OC=C(C(C2=CC=1OC)=O)C1C=CC(OC)=CC=1)O
MCULE-6990143122 0.81 C1(=O)C(C2=CC=C3C(OCCO3)=C2)=COC2C=C(O)C=C(O)C1=2
MCULE-5722069955 0.81 C1(=O)C(C2C=CC(=CC=2)O)=COC2=CC(OC)=CC(OC)=C12
MCULE-5293577262 0.81 C1(=O)C(C2C=CC(=CC=2)OC)=COC2C=C(OC)C=C(OC)C1=2
MCULE-4087154819 0.81 C1(C2=CC=C(C=C2)OC)=COC2C(=CC(=C(OC)C=2)O)C1=O
MCULE-3661702291 0.81 C1(C2C=CC=CC=2F)=COC2=C(C(O)=CC(O)=C2)C1=O
MCULE-5024359096 0.81 C1(=COC2C(=CC(=C(OC)C=2)OC)C1=O)C1=CC(OC)=C(C(OC)=C1)OC
MolPort-000-005-265 0.80 C=CCC1CCCC1
MolPort-020-915-611 0.80 CC(=C)C1CCCC1
MolPort-006-395-334 0.80 CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
MolPort-020-915-611 0.80 CC(=C)C1CCCC1
MCULE-4169822091 0.80 C1(C2C=CC(=CC=2)OC(C)C)=COC2=C(C=CC(O)=C2)C1=O
MCULE-3667201609 0.80 C1(C=C2OC=C(C(C2=CC=1OC)=O)C1C=CC=CC=1)O
MCULE-8964848450 0.80 C1(C2=CC=CC=C2)=COC2C(=CC=C(OC)C=2)C1=O
MCULE-1755438579 0.80 C1(C2C=CC(=CC=2)OC)=COC2C(=CC=C(O)C=2C)C1=O
MolPort-001-756-619 0.79 CCCCCC=C
MolPort-033-481-799 0.79 CC(C)(C)CCCC=C
MolPort-001-789-807 0.79 CCCCC(=C)CC
MolPort-033-481-799 0.79 CC(C)(C)CCCC=C
MCULE-7381227555 0.79 C1(C2=CC=C3C(OCCO3)=C2)=COC2C(=CC=C(O)C=2)C1=O
MCULE-3591453385 0.79 C1(C2=CC=C(C=C2)N)=COC2C(=CC=C(O)C=2)C1=O
MCULE-2861292700 0.79 C1(C2=CC=C(C(OC)=C2)OC)=C(C)OC2C(=C(O)C=C(O)C=2)C1=O
MCULE-9294409097 0.79 C1(=O)C2=C(C)C=C(C=C2OC=C1C1C=CC(=CC=1)OC)O
MCULE-3036292697 0.78 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OCCOC3=CC=C4C(OC=C(C5=CC=C(C(OC)=C5)OC)C4=O)=C3)C=2)C1=O
MCULE-7443551761 0.78 C1=CC2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C=C1
MCULE-4598422437 0.78 C1(=O)C(C2=CC=C3C(OCCCO3)=C2)=COC2C=C(O)C=C(O)C1=2
MCULE-8615442519 0.78 C12OC=C(C3=CC=C(OC)C=C3)C(=O)C1=C(OC)C(OC)=C(OC)C=2
MCULE-5911789203 0.78 C1(C2=CC=CC=C2)C(=O)OC2=CC(O)=CC(O)=C2C=1O
MCULE-3418911831 0.78 C1(C2C=CC3=C(OCCO3)C=2)=COC2=C(C=CC(OC)=C2)C1=O
MCULE-8442524506 0.78 C1(=O)OC2=CC(O)=CC=C2C=C1C1=CC=C(C=C1)O
MCULE-7003586571 0.78 C1(C2=CC=C(C=C2)F)=COC2=C(C=CC(O)=C2)C1=O
MCULE-6356670157 0.78 C1(C2C=CC(=CC=2)OC)=COC2=C(C=C(C(OC)=C2)OC)C1=O
MCULE-2883311604 0.78 C1(C2C=CC(=CC=2)OC)=COC2C(=CC=C(OCC)C=2)C1=O
MCULE-6142563463 0.78 C1(C2=CC=C(C=C2)Cl)=COC2C(=CC=C(O)C=2)C1=O
MCULE-4320890083 0.78 C1(OC)C=C2OC=C(C3C(O)=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-9387055734 0.78 C1(=O)C(C2=CC=C(C=C2)O)=COC2=CC(OC(C)C)=CC(O)=C12
MCULE-9981954699 0.78 C1(C2=CC=CC=C2Cl)=COC2C(=C(O)C=C(O)C=2)C1=O
MCULE-6784117124 0.77 C1(C2=CC=CC=C2)=COC2=C(C=CC(OC)=C2C)C1=O
MCULE-3140099744 0.77 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OCC#N)C=2)C1=O
MCULE-7848980858 0.77 C1(C2=CC=CC=C2)=COC2C(=CC=C(OCC)C=2)C1=O
MCULE-5631773583 0.77 C1(C=C2OC=C(C(C2=CC=1OC)=O)C1C=CC=CC=1)OC
MCULE-6289956605 0.77 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OCCBr)C=2)C1=O
MCULE-2266400346 0.77 C1(C2=CC=CC=C2F)=COC2=C(C=CC(O)=C2)C1=O
MCULE-5934432529 0.77 C1(C2=CC=C3C(OCCO3)=C2)=COC2C(=CC=C(O)C=2C)C1=O
MCULE-2741577818 0.77 C1(C2C=CC=CC=2)=C(C)OC2C(=CC=C(O)C=2)C1=O
MCULE-8786967249 0.77 C1(OC)C=C2OC=C(C3C(O)=CC(O)=CC=3)C(=O)C2=CC=1
MCULE-9993110059 0.77 C1(C2=CC=C(C(OC)=C2)OC)=CC2=CC=C(C=C2OC1=O)O
MCULE-2843732127 0.77 C1(C2=CC=C(C(OC)=C2)OC)=C(C)OC2C(=CC=C(O)C=2)C1=O
MCULE-4008017769 0.77 C1(=O)C(C2=CC=C(C=C2)OC)=C(C)OC2=CC(O)=CC(O)=C12
MolPort-015-143-700 0.76 CC1CCC(CC1)=CBr
MCULE-4613045834 0.76 C1(C2=CC=C3C(OCCO3)=C2)=COC2=C(C=CC(OC(C)C)=C2)C1=O
MCULE-9796740120 0.76 C1(C2=CC=C(C(OC)=C2)OC)=C(C)OC2C(=CC=C(OC)C=2)C1=O
MCULE-6841656147 0.76 C1(C=C2OC=C(C(C2=C(OC)C=1)=O)C1C=CC(O)=CC=1O)O
MCULE-6234896083 0.76 C1(C2=CC=CC=C2OC)=COC2C(=C(O)C=C(O)C=2)C1=O
MCULE-5454148782 0.76 C1(=O)C(C2C=CC(=CC=2)OCC)=COC2C=C(OCC)C=C(OCC)C1=2
MCULE-6617761458 0.76 C1(C2=CC=C3C(C=CC=C3)=C2)=CC2=CC=C(C=C2OC1=O)O
MCULE-4241728982 0.76 C1(C2C=CC=CC=2)=COC2=C(C=CC(OC(C)C)=C2)C1=O
MCULE-6394039698 0.76 C1(=O)OC2=CC(O)=CC=C2C=C1C1C=CC=CC=1
MCULE-3192837571 0.76 C1OC2=C(C(O)=CC(O)=C2)C(=O)C=1C1=CC(C/C=C(\C)/C)=C(O)C(O)=C1
MCULE-5003047549 0.76 C1(C2C=CC3=C(OCCCO3)C=2)=COC2=C(C=CC(O)=C2)C1=O
MCULE-6426362170 0.76 C1(C2=CC=CC(OC)=C2)=CC2=CC=C(C=C2OC1=O)O
MCULE-6950990798 0.76 C1(C2=CC=C(C=C2)Br)=COC2C(=CC=C(OC)C=2)C1=O
MCULE-5064163489 0.76 C1(C2C=CC=CC=2)=COC2C(=CC=C(O)C=2C=O)C1=O
MCULE-6107970634 0.75 C1(O)C=C2C(C(=O)C(=CO2)C2C=CC(OC(C)=O)=CC=2)=CC=1OC
MCULE-6980485156 0.75 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OCC(O)=O)C=2)C1=O
MCULE-2904956890 0.75 C1OC2=C(C(C)=CC(OC)=C2)C(=O)C=1C1=CC=CC=C1
MCULE-4698085737 0.75 C1(C2=CC=C3C(OCO3)=C2)=COC2=C(C=CC=C2)C1=O
MCULE-3553773461 0.75 C1(C2=CC=C3C(OCCO3)=C2)=COC2=C(C=CC=C2)C1=O
MCULE-1228173408 0.75 C1(=CC2OC=C(C3=CC(OCC)=CC=C3)C(=O)C=2C=C1)C
MCULE-7169746103 0.75 C1(C2=CC=C(C=C2)Br)=COC2=C(C=C(C(O)=C2)CC)C1=O
MCULE-1693585554 0.75 C1(C2C=CC=CC=2)=COC2=C(C=C(C(O)=C2)CCC)C1=O
MCULE-1747247438 0.75 C1(C2C=CC(=C(OC)C=2)OC)=CC2=CC=C(C=C2OC1=O)OC
MCULE-4766560706 0.75 COC1C2OC=C(C3=CC=C(OC)C(OC)=C3)C(=O)C=2C=C(OC)C=1OC
MCULE-5640212438 0.75 C1(C2=CC=C(C=C2)OC)=COC2=C(C=C(C(O)=C2)CC)C1=O
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MCULE-9775809884 0.60 C1(CN(C)C)=C(O)C(CC)=CC2C(C(C3C=CC4=C(OCO4)C=3)=COC=21)=O
MCULE-4209496515 0.60 C1(C2=CC=CC=C2)=C(C)OC2C(=CC=C(C=2)OC(C)C(OC)=O)C1=O
MCULE-5812744958 0.60 C1(C2=CC=C3C(OCCO3)=C2)=C(C)OC2=C(C=C(C(OC(C)C)=C2)CCC)C1=O
MCULE-9493180822 0.60 C1(C2=CC=CC=C2)=COC2=C(C=C(C(OCC3C=CC=CC=3)=C2)CCC)C1=O
MCULE-8634444257 0.60 C1(C2C=CC(=CC=2)OC)=COC2C(=CC=C(OCC(=O)N3CCCCC3C)C=2)C1=O
MCULE-9305998127 0.60 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OCC(=O)N3CCSCC3)C=2)C1=O
MCULE-4480702411 0.60 C1(C2=CC=C(C(OC)=C2)OC)C(=O)C2=CC=C(C=C2OC=1N)OCC1=CC=C(C=C1)Cl
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MCULE-8054601219 0.60 C1(C2=CC=C3C(OCCO3)=C2)=COC2C(=CC(=C(OCC3C=CC(=CC=3)C=C)C=2)CC)C1=O
MCULE-1668736662 0.60 C1(C2=CC=C3C(OCCCO3)=C2)=COC2C(=CC(=C(OCC3C=CC(=CC=3)OC)C=2)CCC)C1=O
MCULE-1047422256 0.60 C1(C2=CC=C3C(OCCO3)=C2)=COC2C(=CC(=C(OCC3=CC=CC(OC)=C3)C=2)CCC)C1=O
MCULE-2572521776 0.60 C1(C2C=CC(=CC=2)Cl)=COC2C(=CC=C(C=2)OC(C)C(=O)OC(C)C)C1=O
MCULE-1745767828 0.60 C1(C2=CC=C3C(OCCO3)=C2)=COC2C(=CC(=C(OC(=O)N(C)C)C=2)CC)C1=O
MCULE-6892185151 0.60 C1(C2=CC=CC=C2)=COC2=C(C=CC(=C2)OC(CCCCCCCC)C([O-])=O)C1=O.[Na+]
MCULE-6605632987 0.60 C1(C2=CC=C(C=C2)OC)=C(C)OC2C(=CC=C(OCCN3CCN(CC3)CCO)C=2)C1=O
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MCULE-3059394382 0.60 C12OC=C(C(=O)C1=CC=C(O)C=2C(C1C=CC(=CC=1)O)CC(OC)=O)C1=CC=C(C=C1)O
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MCULE-7161705475 0.60 C1(C2=CC=CC=C2Cl)=COC2C(=CC=C(OCC3C=CC(=CC=3)Br)C=2)C1=O
MCULE-3097049057 0.60 C1(C2=CC=C(C=C2)F)=COC2=C(C=CC(=C2)OC(C(C)N)=O)C1=O.Br
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MCULE-7219096894 0.60 C1(C2C=CC(=CC=2)C)C(=O)C2C=CC=CC=2OC=1N
MCULE-2037826843 0.60 C1(=CC(=O)OC2=CC(OCC)=CC=C12)C1=CC2C=CC=CC=2OC1=O
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MCULE-7977917676 0.60 C1(C=C2OC(C3C=CC(=CC=3)O)=C(C3C(O)=CC(O)=C4C(=O)C=C(C5C=CC(O)=CC=5)OC=34)C(C2=C(O)C=1)=O)O
MCULE-6278329266 0.60 C12=C(O)C(CN3CCN(CC3)C)=C(C(CN3CCN(CC3)C)=C1OC=C(C1=CC=C(C=C1)OC)C2=O)O
MCULE-8243218005 0.60 C1(C2C=CC3=C(OCO3)C=2)=COC2=C(C=C(C(OC(C)C(OC)=O)=C2)CC)C1=O
MCULE-1135366305 0.60 C1(C2=CC(=C(O)C(O)=C2)O)OC2C=C(O)C=CC=2C(=O)C=1
MCULE-4910751306 0.60 CC1C2C=CC=CC=2OC(=O)C=1C1C=CC=CC=1
MCULE-8835183061 0.60 C12OC=C(C(=O)C1=CC=C(O)C=2C(CC(OC)=O)C1C=CC=C2C=CC=CC=12)C1=CC=C(C=C1)O
MCULE-5200408450 0.60 C1(=COC2C=CC(O)=CC1=2)C1C=C(OC)C(=C(OC)C=1)OC
MCULE-7497321849 0.60 C1(C2C=CC=C(Cl)C=2)C(=O)OC2=C(C=C(C=C2)O)C=1C
MCULE-8426595622 0.60 C1(O)C=C2OC=C(C3C=C(CC(O)C(=C)C)C(O)=CC=3)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-8654805382 0.60 C1(C2C=CC(=CC=2)OC)=COC2C(=CC=C(OCC(=O)N3CC(C)OC(C)C3)C=2)C1=O
MCULE-4082230429 0.60 C1(C2=CC=C(C=C2)Cl)=COC2C(=CC=C(OCCN3CCN(CC3)C)C=2)C1=O
MCULE-4753720010 0.60 C1(C2C=CC(=CC=2)Br)=C(C)OC2C(=CC=C(C=2)OC(C)C(O)=O)C1=O
MCULE-8989313893 0.60 C1(C2=CC=C(C=C2)Cl)=COC2C(=CC=C(OCCN3CCN(CC3)CCO)C=2)C1=O
MCULE-8787547780 0.60 C1(C2=CC=C(C(OC)=C2)OC)=C(C)OC2C(=CC=C([O-])C=2C[NH+](C)CC2=CC=CC=C2)C1=O
MCULE-1678692986 0.60 C1(C2=CC=CC3=CC=CC=C23)C(=O)C2C=CC=C(C)C=2OC=1N
MCULE-7451308647 0.60 Cl.Cl.C1(C(C2C(=CC(=CC=2)OCCN2CCN(CC2)C)OC=1)=O)C1=CC=C(C=C1)Cl
MCULE-2769205494 0.60 C1(=CC(O)=C2C(=C1C1C(=CC(O)=C3C=1OC(C1=CC=C(C=C1)O)=CC3=O)O)OC(C1=CC=C(O)C=C1)=CC2=O)O
MCULE-5767522708 0.60 C1(C2C=CC=CC=2OC(F)(F)F)=CC2=CC=C(C=C2OC1=O)O
MCULE-3394878853 0.60 C1(C2=CC=C(C=C2)F)=COC2=C(C=CC3OCOC2=3)C1=O
MCULE-5065749543 0.60 C1(C2C=CC3=C(OCCCO3)C=2)=C(C)OC2=C(C=CC(=C2)OC([C@@]([H])(C)[NH3+])=O)C1=O.[Br-]
MCULE-3634953486 0.60 C1(C2=CC=C(C=C2)OC)=C(C)OC2C(=CC=C(OCCN3CCN(CC3)C)C=2)C1=O
MCULE-5857922385 0.60 C12=C(C([O-])=CC=C1C(C(C1=CC=C(C=C1)Br)=C(C)O2)=O)C[NH+](C)C
MCULE-2486898793 0.60 C1(C2=CC=C(C=C2)OC)=C(C)OC2C(=CC=C(OCCN3CCN(CC3)CC)C=2)C1=O
MCULE-9834817608 0.60 C1(C2C=CC=CC=2F)=COC2C(=CC=C(O)C=2CC2=COC3=C(C=C(C=C3)C)C2=O)C1=O
MCULE-6109562778 0.60 C1(C2=CC=CC(OC)=C2)=COC2C=CC(O)=CC1=2
MCULE-8292484358 0.60 C1(C2=CC=CC=C2)=COC2C(=CC=C(O)C=2CN2CCCCCC2)C1=O
MCULE-7153402141 0.60 C1(C2C=CC(=CC=2)F)=C(C)OC2=C(C=CC(OC(C)=O)=C2)C1=O
MCULE-8625334671 0.60 C1(C2C=CC(=CC=2)OC)=COC2C(=CC=C(C=2)NC2C=CC=C(OC)C=2)C1=O
MCULE-5060775632 0.60 C1(C(F)(F)F)OC2C(O)=C(O)C=CC=2C(=O)C=1C1C=CC(=CC=1)Cl
MCULE-8191817507 0.60 C1(C2C=CC=CC=2Cl)=COC2=C(C=CC(OCC(OC)=O)=C2)C1=O
MCULE-3664690789 0.60 C1(C2C=CC(=CC=2)Br)=COC2C(=CC=C(OCC(=O)C3C=CC(=CC=3)Br)C=2)C1=O
MCULE-9343668040 0.60 C1(C2C=CC(=CC=2)OCC(N)=O)=CC2=CC=CC=C2OC1=O
MCULE-2375598951 0.60 C1(C2=CC=C(C=C2)OC)=COC2C(=CC=C(OCCN3CCC(CC3)C(N)=O)C=2)C1=O
MCULE-8751708569 0.60 C12OC=C(C(=O)C1=CC=C(O)C=2C(CC(OC)=O)C1C=CC=C(O)C=1)C1=CC=C(C=C1)O
MCULE-1207801325 0.60 C1(C2=CC=C(C(OC)=C2)OC)=C(C)OC2C(=CC=C(NC3C=CC(=CC=3)OC)C=2)C1=O
MCULE-7631150681 0.60 Cl.C1(CN(C)C)=C(O)C(CC)=CC2C(C(C3C=CC4=C(OCO4)C=3)=COC=21)=O
MCULE-4180968977 0.60 C1(C2=CC=C(C=C2)OC)=COC2C(=CC=C(OCC(=O)N3CCN(CC3)C(C)=O)C=2)C1=O
MCULE-7633563520 0.60 C1(C2=CC=C(C(OC)=C2)OC)=CC2=CC=C(C=C2OC1=O)OCC1NN=NN=1
MCULE-3078868213 0.60 C1(O)=C(O)C=C2OC3C=C(O)C=C(O)C=3C(C2=C1C)=O
MCULE-6226898131 0.60 C1(C2C=CC(=C(C)C=2)Br)=CC2=CC=CC=C2OC1=O
MCULE-9101005457 0.60 C1(C2C=CC3=C(OCCO3)C=2)=COC2=C(C=CC(=C2)OC(=O)[C@@]([H])(CC(C)C)[NH3+])C1=O.C(F)(F)(F)C(=O)[O-]
MCULE-1819151700 0.60 C1(C2C=CC(=CC=2)OC)=COC2C(=CC=C(OCCN3CCN(CC3)CC3C=CC=CC=3)C=2)C1=O
MCULE-7569050827 0.60 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OCC(=O)NC3=CC=CC(=C3)NC(C)=O)C=2)C1=O
MCULE-6258107231 0.60 C1(=O)OC2C=C(C)C=CC=2C(C)=C1C1=CC=CC=C1
MCULE-9390654281 0.60 C1(C2C=CC(=CC=2)Br)=COC2C(=CC=C(OCC3=CC=C(C=C3Cl)Cl)C=2)C1=O
MCULE-8572953647 0.60 C1(C2C=CC3=C(OCCCO3)C=2)=C(C)OC2=C(C=CC(=C2)OC([C@@]([H])(C)[NH3+])=O)C1=O
MCULE-7934105977 0.60 C1(C2=CC=C3C(OCCCO3)=C2)=C(C)OC2=C(C=CC(OCC(OCC)=O)=C2)C1=O
MCULE-8238595270 0.60 C1(C(C2C(=CC(=CC=2)OCCN2CCN(CC2)CC)OC=1)=O)C1=CC=C(C=C1)Cl.Cl.Cl
MCULE-8084389066 0.60 C1(C2C=CC(=C(OC)C=2)OC)=C(C)C2=CC=C(C=C2OC1=O)OC(C)C(OC)=O
MCULE-7082973847 0.60 C1(C2C=CC(=CC=2)OCC(N)=O)=CC2=CC(OC)=CC=C2OC1=O
MCULE-9344194131 0.60 C1(C(O)=CC=C2C(C(C3C=CC=CC=3)=COC=12)=O)CN(C)C1CCCCC1
MCULE-7310315395 0.60 C1(C2C=CC(=CC=2)OC)=C(C)OC2C(=CC=C(C=2)OS(C)(=O)=O)C1=O
MCULE-6873943082 0.60 C1(C2C=CC(=CC=2)I)=CC2C=CC=CC=2OC1=O
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