SANC00876 Cascarillone




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-044-183-446 1 CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-764-784 1 CCCCC.C[NH+]1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-765-156 1 CC(C)N1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-764-851 1 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)(CO)c1ccccc1
MolPort-046-764-784 1 CCCCC.C[NH+]1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-009-653-413 1 O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-417-446 1 CN1C2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-763-652 1 [2H]c1c([2H])c([2H])c(C(CO)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c([2H])c1[2H]
MolPort-002-526-644 1 CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-594 1 C.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-598-119 1 CCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-035-675-645 1 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-947-665 1 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-006-167-542 1 CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-343-880 1 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-183-446 1 CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-598-119 1 CCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-039-343-880 1 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-764-851 1 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)(CO)c1ccccc1
MolPort-046-765-156 1 CC(C)N1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-417-446 1 CN1C2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-035-675-645 1 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-594 1 C.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-763-652 1 [2H]c1c([2H])c([2H])c(C(CO)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c([2H])c1[2H]
MolPort-027-946-829 0.99 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-417-339 0.99 [Br-].CC(C)[N@+]1(C)C2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-000-710-779 0.99 [Cl-].CC[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-027-946-829 0.99 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-035-924-120 0.99 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-179-469 0.99 [Cl-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-000-711-438 0.99 [I-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-758-008 0.99 [I-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-757-825 0.99 [Cl-].CC[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-179-469 0.99 [Cl-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-766-248 0.99 [Br-].[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-000-703-558 0.99 [Cl-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-768-566 0.99 [Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-006-069-092 0.99 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-766-247 0.99 [I-].[2H]C([2H])([2H])[N@@+]1(C(C)C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-039-140-487 0.99 [Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-039-053-495 0.99 Br.CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-140-487 0.99 [Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-003-983-442 0.99 [Br-].CC(C)[N+]1(C)C2CCC1C[C@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-003-848-225 0.99 O.[Br-].CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-005-976-538 0.99 [Br-].CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-766-247 0.99 [I-].[2H]C([2H])([2H])[N@@+]1(C(C)C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-039-053-495 0.99 Br.CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-019-994-237 0.99 O.[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-768-566 0.99 [Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-766-248 0.99 [Br-].[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-019-994-237 0.99 O.[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-417-339 0.99 [Br-].CC(C)[N@+]1(C)C2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-009-758-175 0.99 [Br-].CCCC[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-035-924-120 0.99 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-762-697 0.97 [Br-].COCC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N@+]2(C)C(C)C)c1ccccc1
MolPort-046-762-697 0.97 [Br-].COCC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N@+]2(C)C(C)C)c1ccccc1
MolPort-046-153-869 0.96 CN1C2CCC1CC(C2)OC(=O)Cc1ccccc1
MolPort-046-153-869 0.96 CN1C2CCC1CC(C2)OC(=O)Cc1ccccc1
MolPort-002-731-292 0.95 CCC(CO)(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
MolPort-019-930-809 0.94 [I-].CCC(CO)(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1
MolPort-002-095-505 0.94 Cl.CCC(CO)(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
MolPort-019-930-809 0.94 [I-].CCC(CO)(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1
MolPort-038-942-506 0.93 OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-044-193-505 0.93 O.OS(O)(=O)=O.CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-003-925-953 0.93 O.OS(O)(=O)=O.CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1.CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-006-069-165 0.93 OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-003-666-126 0.93 OS(O)(=O)=O.CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-417-345 0.93 C.OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-003-855-427 0.93 C[N+]1(CC#C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-038-942-506 0.93 OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-417-345 0.93 C.OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-044-193-505 0.93 O.OS(O)(=O)=O.CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-002-513-671 0.92 C[N+]12CCCC[C@@H]1[C@H](COC(=O)Cc1ccccc1)CCC2
MolPort-000-746-057 0.92 O=C(Cc1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-000-707-136 0.91 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)Cc1ccccc1)CCC2
MolPort-000-700-027 0.91 [Br-].C[N+]1(CC#C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-757-722 0.91 [Br-].C[N+]1(CC#C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-754-024 0.91 CN1C2CC(O)C1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-009-758-174 0.91 [Br-].C[N+]1(CCCCBr)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-002-507-372 0.91 CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-935-596 0.91 CC[N@@+]1(C)C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-001-919-876 0.91 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-001-783-616 0.91 CN1C2CCC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-019-930-805 0.91 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-019-705-471 0.91 CCC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
MolPort-002-932-970 0.91 C[N+]1(C)C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-003-855-410 0.91 CN1C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-598-117 0.91 C[N+]1(CCCCBr)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-754-024 0.91 CN1C2CC(O)C1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-598-117 0.91 C[N+]1(CCCCBr)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-019-930-805 0.91 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-002-514-965 0.91 O=C(Cc1cccc2ccccc12)OC[C@H]1CCCN2CCCC[C@@H]12
MCULE-5229426506 0.91 C1C(CC(=O)CC1C1=COC=C1)=O
MolPort-009-758-160 0.90 Br.CN1[C@H]2C[C@@H](O)[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-000-727-703 0.90 [Cl-].C[NH+]1C2CCC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-000-708-847 0.90 [I-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-002-217-855 0.90 Cl.CN1C2CCC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-009-675-630 0.90 Cl.CCC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
MolPort-000-736-470 0.90 [I-].C[N+]12CCCC[C@H]1[C@@H](COC(=O)Cc1cccc3ccccc13)CCC2
MolPort-009-653-450 0.90 Cl.CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-009-758-093 0.90 [I-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-002-512-930 0.88 CCC(C(=O)OC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1
MolPort-000-727-187 0.88 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C(c1ccccc1)c1ccccc1
MolPort-002-513-719 0.88 C[N+]12CCCC[C@@H]1[C@H](COC(=O)C(c1ccccc1)c1ccccc1)CCC2
MolPort-046-418-891 0.87 COS([O-])(=O)=O.CCOC(=O)C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1
MolPort-046-418-891 0.87 COS([O-])(=O)=O.CCOC(=O)C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1
MCULE-5930875518 0.87 O=C([C@H]1C[C@@H]2[C@@H](C2)C1)CC1=COC=C1
MCULE-9893159386 0.87 O=C(C1CC2(CCC2)C1)CC1=COC=C1
MCULE-3993673482 0.87 O=C(C1C2C(C2)CCC1)CC1=COC=C1
MCULE-8732175992 0.87 O=C(C12CCCCC1C2)CC1=COC=C1
MCULE-6397914926 0.87 O=C(C12CCCC1C2)CC1=COC=C1
MCULE-4040972677 0.87 O=C(C1C2(CC2)C1)CC1=COC=C1
MCULE-1191863719 0.87 O=C(C1CC2C(C2)CC1)CC1=COC=C1
MolPort-000-719-129 0.86 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C(c1ccccc1)c1ccccc1)CCC2
MolPort-001-779-641 0.86 CN1C2CCC1CC(C2)OC(=O)C(O)c1ccccc1
MCULE-1126479288 0.86 O=C(C1=COC=C1)C1CCC2(CC2)CC1
MCULE-8038965129 0.86 O=C(C1=COC=C1)C1CC2(CC2)CCC1
MolPort-035-758-340 0.85 [Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(O)c1ccccc1
MolPort-044-724-312 0.85 Cl.CN1C2CCC1CC(C2)OC(=O)C(O)c1ccccc1
MolPort-023-219-684 0.85 [Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c1ccccc1
MolPort-001-988-956 0.85 CN1C2CCC1CC(C2)OC(=O)C1(CCCC1)c1ccccc1
MolPort-006-110-080 0.85 Br.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c1ccccc1
MolPort-003-983-439 0.85 Br.CN1C2CCC1CC(C2)OC(=O)C(O)c1ccccc1
MolPort-035-758-340 0.85 [Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(O)c1ccccc1
MolPort-002-515-329 0.85 C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C1(CCCC1)c1ccccc1
MolPort-023-219-684 0.85 [Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c1ccccc1
MolPort-044-724-312 0.85 Cl.CN1C2CCC1CC(C2)OC(=O)C(O)c1ccccc1
MCULE-5795558500 0.85 CC1CC(C(CC2=COC=C2)=O)C1
MolPort-009-758-067 0.84 [I-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C1(CCCC1)c1ccccc1
MolPort-000-733-182 0.84 [Cl-].C[NH+]1C2CCC1CC(C2)OC(=O)C1(CCCC1)c1ccccc1
MolPort-002-547-864 0.84 CC1CN(C)C(C)CC1OC(=O)C(c1ccccc1)c1ccccc1
MolPort-039-338-409 0.84 OCC(C(=O)O[C@@H]1C[C@H]2N[C@@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-003-824-092 0.84 CN1C2CCC1CC(C2)OC(=O)C(=C)c1ccccc1
MolPort-005-943-617 0.84 CBr.CN1C2CCC1CC(C2)OC(=O)C(O)c1ccccc1
MolPort-000-712-749 0.84 [I-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C1(CCCC1)c1ccccc1
MolPort-009-758-070 0.84 Cl.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C1(CCCC1)c1ccccc1
MolPort-046-690-676 0.84 OC[C@@H](C(=O)OC1C[C@H]2N[C@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-046-765-988 0.84 OC[C@@H](C(=O)OC1CC2NC(C1)C1OC21)c1ccccc1
MolPort-046-690-676 0.84 OC[C@@H](C(=O)OC1C[C@H]2N[C@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-044-754-028 0.84 CN1C2CC(CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-005-938-576 0.84 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-506-902 0.84 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)c1ccccc1
MolPort-039-338-409 0.84 OCC(C(=O)O[C@@H]1C[C@H]2N[C@@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-044-754-028 0.84 CN1C2CC(CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-765-988 0.84 OC[C@@H](C(=O)OC1CC2NC(C1)C1OC21)c1ccccc1
MCULE-9852727082 0.84 O=C(C1=COC=C1)C1C2C(C2)CCC1
MCULE-9355186599 0.84 O=C(C1=COC=C1)C1C2(CC2)C1
MCULE-6750581709 0.84 O=C(C1=COC=C1)C1CC2C(C2)CC1
MCULE-7132126238 0.84 O=C(C1=COC=C1)CC1CC2C(C2)CC1
MCULE-8775222691 0.84 O=C(C1=COC=C1)C1C(C2CC2)C1
MCULE-7795590477 0.84 O=C(C12CCCCC1C2)C1=COC=C1
MCULE-3454299954 0.84 CC(C1C(C(C2=COC=C2)=O)C1)(C)C
MCULE-3998445588 0.84 O=C(C1=COC=C1)CC1CC2C(C2)C1
MCULE-1325890825 0.84 O=C(C1=COC=C1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-8529337417 0.84 CC(C(C1=COC=C1)=O)C1CCC1
MCULE-2075544876 0.84 O=C(C1=COC=C1)C1CC2(CCC2)C1
MCULE-5213210898 0.84 O=C(C12CCCC1C2)C1=COC=C1
MolPort-046-765-987 0.83 [Br-].CCC[N@@+]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-000-703-604 0.83 [Br-].C[N+]1(CC#C)C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-006-126-037 0.83 [Br-].CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-648 0.83 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-140-207 0.83 Cl.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-038-942-545 0.83 O.O.O.Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-046-792-784 0.83 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(=C)c1ccccc1
MolPort-035-783-543 0.83 O.O.O.Br.CN1C2C[C@@H](C[C@H]1[C@H]1OC21)OC(=O)[C@H](CO)c1ccccc1
MolPort-006-111-080 0.83 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-792-784 0.83 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(=C)c1ccccc1
MolPort-046-033-499 0.83 [Br-].CCCC[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-765-987 0.83 [Br-].CCC[N@@+]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-690-943 0.83 Br.[2H]C([2H])([2H])N1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-052-331 0.83 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)c1ccccc1
MolPort-038-942-545 0.83 O.O.O.Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-035-783-543 0.83 O.O.O.Br.CN1C2C[C@@H](C[C@H]1[C@H]1OC21)OC(=O)[C@H](CO)c1ccccc1
MolPort-027-835-539 0.83 [Br-].CCCC[N@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-648 0.83 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-052-331 0.83 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)c1ccccc1
MolPort-046-690-943 0.83 Br.[2H]C([2H])([2H])N1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-033-499 0.83 [Br-].CCCC[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-016-633-266 0.83 [Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-003-983-417 0.83 [Br-].CCCC[N+]1(C)C2CC(CC1C1OC21)OC(=O)[C@H](CO)c1ccccc1
MolPort-027-835-539 0.83 [Br-].CCCC[N@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-003-983-455 0.83 Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-009-757-618 0.83 [Br-].C[N+]1(CC#C)[C@H]2CC(O)[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-758-227 0.83 Br.CN1C2CC(CC1[C@H]1OC21)OC(=O)C(CO)c1ccccc1
MolPort-046-594-166 0.82 OC(C(=O)O[C@H]1CC2CCC(C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-046-418-823 0.82 [Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-823 0.82 [Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-009-680-770 0.82 [Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-594-166 0.82 OC(C(=O)O[C@H]1CC2CCC(C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-001-990-842 0.82 CN1C2CCC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MCULE-6896727467 0.81 [C@@]1(O)(CCC2C=COC=2)[C@H](C)C(=O)C[C@@]2([H])C(CCC[C@]12C)(C)C
MolPort-044-561-846 0.81 [Cl-].OC(C(=O)OC1C[C@@H]2CC[C@@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-046-762-165 0.81 [Br-].[2H]C1([2H])C([2H])([2H])C([2H])([2H])[N+]2([C@H]3CC[C@@H]2CC(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)C1([2H])[2H]
MolPort-046-764-863 0.81 [Cl-].[2H]C1([2H])C([2H])([2H])C([2H])([2H])[N+]2([C@H]3CC[C@H]2CC(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)C1([2H])[2H]
MolPort-035-691-404 0.81 [Cl-].OC(C(=O)OC1C[C@H]2CC[C@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-003-850-800 0.81 [Cl-].OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-046-764-863 0.81 [Cl-].[2H]C1([2H])C([2H])([2H])C([2H])([2H])[N+]2([C@H]3CC[C@H]2CC(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)C1([2H])[2H]
MolPort-000-745-644 0.81 [Cl-].C[NH+]1C2CCC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolPort-005-935-494 0.81 [Cl-].OC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-046-762-165 0.81 [Br-].[2H]C1([2H])C([2H])([2H])C([2H])([2H])[N+]2([C@H]3CC[C@@H]2CC(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)C1([2H])[2H]
MolPort-009-758-078 0.81 Cl.CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolPort-044-561-846 0.81 [Cl-].OC(C(=O)OC1C[C@@H]2CC[C@@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-035-691-404 0.81 [Cl-].OC(C(=O)OC1C[C@H]2CC[C@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-002-001-667 0.81 C[N+]12CCCCC1C(COC(=O)C1(CCCC1)c1ccccc1)CCC2
MolPort-002-514-598 0.81 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1(CCCC1)c1ccccc1
MCULE-1696593099 0.80 C(C1C=COC=1)(=O)CCC(=O)C
MCULE-4269038755 0.80 CC1CC(C(C2=COC=C2)=O)C1
MolPort-002-512-052 0.80 COc1ccc(CC(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1
MolPort-046-761-660 0.80 Br.CN1C2CC(CC1C1OC21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MolPort-046-688-734 0.80 Br.CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MolPort-023-220-082 0.80 Cl.OC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2)(c1ccccc1)c1ccccc1
MolPort-046-688-734 0.80 Br.CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MolPort-046-761-660 0.80 Br.CN1C2CC(CC1C1OC21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MolPort-023-220-082 0.80 Cl.OC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2)(c1ccccc1)c1ccccc1
MolPort-002-006-142 0.79 CN1CCC(CC1)OC(=O)Cc1ccccc1
MolPort-002-515-885 0.79 C[N+]12CCCC[C@@H]1[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)CCC2
MCULE-3896775073 0.78 [C@]12(C)CCCC(C)(CO)C1CC[C@@H](CO)[C@@H]2CCC1C=COC=1
MolPort-046-594-139 0.78 [Cl-].C=CC=C.OC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-023-275-925 0.78 OC(=O)\C=C/C(O)=O.CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1
MolPort-000-714-952 0.78 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)CCC2
MolPort-023-275-925 0.78 OC(=O)\C=C/C(O)=O.CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1
MolPort-046-594-139 0.78 [Cl-].C=CC=C.OC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
MolPort-002-598-308 0.78 O=C(OCCCN1CCCC1)C1(CCCC1)c1ccccc1
MolPort-002-092-608 0.78 Cl.CN1CCC(CC1)OC(=O)Cc1ccccc1
MolPort-000-778-027 0.78 [Cl-].C[NH+]1CCC(CC1)OC(=O)Cc1ccccc1
MolPort-000-816-484 0.78 Cl.OC(C(=O)OC[C@@H]1CCCN2CCCC[C@H]12)(c1ccccc1)c1ccccc1
MCULE-8019800165 0.77 CC1C(C(C2C3C(C3)CCC2)=O)=COC=1
MCULE-7668201605 0.77 CC1C(C(C2CC3(CCC3)C2)=O)=COC=1
MCULE-2823118780 0.77 CC1C(C(C2CC3C(C3)CC2)=O)=COC=1
MCULE-7573530136 0.77 CC1C(C(C2C3(CC3)C2)=O)=COC=1
MCULE-9944547747 0.77 [C@]12(C)CCC[C@](C)(C(O)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1
MCULE-8674522377 0.77 CC1C(C(C23CCCC2C3)=O)=COC=1
MCULE-9073797944 0.77 CC1C(C(C2C(C(C)(C)C)C2)=O)=COC=1
MCULE-8125694694 0.77 CC1C(C(C23CCCCC2C3)=O)=COC=1
MCULE-1751049156 0.77 C12(C)CCCC(C)(C(O)=O)C1CCC(=C)C2CCC1C=COC=1
MCULE-3400752042 0.77 [C@]12(C)CCC[C@](C)(C(N)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1
MCULE-5506761773 0.77 CC1C(C(C2C(C3CC3)C2)=O)=COC=1
MCULE-2397284753 0.77 CC(C(C1C(C)=COC=1)=O)C1CCC1
MCULE-5480596584 0.77 CC1C(C([C@H]2C[C@@H]3[C@@H](C3)C2)=O)=COC=1
MCULE-3896342809 0.77 [C@]12(C)CCC[C@](C)(C(O)=O)[C@]1([H])[C@H](O)C[C@@H](C)[C@]2(O)CCC1C=COC=1
MolPort-046-419-065 0.77 [Br-].C[N+]1(CCF)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolPort-046-419-065 0.77 [Br-].C[N+]1(CCF)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MCULE-2199760514 0.76 N[C@H]1[C@@H](C(CC2=COC=C2)=O)CCC1
MCULE-4988072774 0.75 NC1CC(C(CC2=COC=C2)=O)C1
MCULE-5936918643 0.75 CC(C1(C(C2=COC=C2)=O)CC1)C
MolPort-028-800-023 0.75 COC(=O)C12CCCC1CN(CCCOCCc1ccccc1)C2
MolPort-002-572-945 0.75 CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)N(C)CC1C
MolPort-044-754-025 0.75 CN1C2CCC1CC(C2)OC(=O)[C@H](O)Cc1ccccc1
MolPort-046-764-785 0.75 CN1(=O)[C@@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-604-697 0.75 CN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-044-754-025 0.75 CN1C2CCC1CC(C2)OC(=O)[C@H](O)Cc1ccccc1
MolPort-046-764-785 0.75 CN1(=O)[C@@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-028-800-023 0.75 COC(=O)C12CCCC1CN(CCCOCCc1ccccc1)C2
MCULE-2369077542 0.74 CC1(C(C2=COC=C2)=O)C(N)CCCC1
MCULE-1188329786 0.74 CC1CC(C(C2C(C)=COC=2)=O)C1
MCULE-5876703674 0.74 FC1(C2C1CC(C(C1=COC=C1)=O)C2)F
MolPort-046-702-017 0.74 Br.C[N]1([O])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-764-788 0.74 Cl.CN1C2CCC1CC(C2)OC(=O)[C@H](O)Cc1ccccc1
MolPort-046-418-600 0.74 Br.C[N]1(O)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-337-900 0.74 Br.C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-124-058 0.74 Cl.CN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-045-967-884 0.74 [Cl-].CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)[NH+](C)CC1C
MolPort-006-393-075 0.74 [Br-].CCCCOc1ccc(C[N+]2(C)C3CCC2CC(C3)OC(=O)[C@H](CO)c2ccccc2)cc1
MolPort-046-702-017 0.74 Br.C[N]1([O])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-337-900 0.74 Br.C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-600 0.74 Br.C[N]1(O)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-764-788 0.74 Cl.CN1C2CCC1CC(C2)OC(=O)[C@H](O)Cc1ccccc1
MolPort-045-967-884 0.74 [Cl-].CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)[NH+](C)CC1C
MolPort-009-767-083 0.74 Cl.CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)N(C)CC1C
MolPort-009-076-471 0.74 CCOC(=O)C1CCN(CCCOCCc2ccccc2)CC1
MolPort-000-771-762 0.74 [Cl-].C[NH+]1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-003-940-940 0.74 [I-].C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-002-513-489 0.74 C[N+]12CCCC[C@@H]1[C@H](COC(=O)C1(CCCC1)c1ccc(Cl)cc1)CCC2
MolPort-002-512-598 0.74 Clc1ccc(cc1)C1(CCCC1)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-001-962-281 0.74 COC(=O)C(c1ccccc1)C1(O)CC(C)N(C)CC1C
MCULE-3288836986 0.73 NC1C(CC(C2=COC=C2)=O)CCC1
MCULE-3812883191 0.73 N[C@H]1[C@H](CC(C2=COC=C2)=O)CCC1
MolPort-023-292-496 0.73 C[N+]1(Cc2ccccc2)C2CCC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolPort-023-292-496 0.73 C[N+]1(Cc2ccccc2)C2CCC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolPort-000-699-627 0.73 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C1(CCCC1)c1ccc(Cl)cc1)CCC2
MolPort-044-344-028 0.73 COC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MolPort-044-322-774 0.73 CCOC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MolPort-002-512-968 0.73 O=C(CCc1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-512-917 0.73 CC(CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1
MolPort-044-344-028 0.73 COC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MolPort-044-322-774 0.73 CCOC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MCULE-3372965129 0.72 CC1=C(C(CC2CC3C(C3)C2)=O)C=CO1
MCULE-8111145982 0.72 CC1CC(C(CC2=COC=C2)N)C1
MolPort-046-688-569 0.72 CN1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
MolPort-046-418-981 0.72 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(Cc1ccc(OC(C)=O)cc1)c1ccccc1
MolPort-006-392-363 0.72 CN1C2CC(CC1C1OC21)OC(=O)C(=C)c1ccccc1
MolPort-002-565-320 0.72 CCN(CC)CCCOC(=O)C1(CCCC1)c1ccccc1
MolPort-002-567-614 0.72 CC[N+](CC)(CC)CCCOC(=O)C1(CCCC1)c1ccccc1
MolPort-002-567-826 0.72 CC[N+](C)(CC)CCCOC(=O)C1(CCCC1)c1ccccc1
MolPort-002-512-784 0.72 CC(CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12)Cc1cccc(C)c1
MolPort-046-688-569 0.72 CN1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
MolPort-046-418-981 0.72 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(Cc1ccc(OC(C)=O)cc1)c1ccccc1
MolPort-046-598-019 0.71 CC[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C1CCC(C(=O)OC2C[C@@H]3CC[C@H](C2)[N+]3(C)CC)(c2ccccc2)c2ccccc12
MolPort-046-423-347 0.71 [Cl-].[Cl-].CC[N+]1(C)C2CCC1CC(C2)OC(=O)C1CCC(C(=O)OC2CC3CCC(C2)[N+]3(C)CC)(c2ccccc2)c2ccccc12
MolPort-046-153-870 0.71 CC(C)C(=O)OC1CC2CCC(C1)N2C
MolPort-002-519-981 0.71 COc1ccc(CC(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1Br
MolPort-002-513-403 0.71 COc1ccc(CC(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1Br
MolPort-039-064-230 0.71 Cl.OC(=O)CCN1CCC(CC1)OCCc1ccccc1
MolPort-000-696-727 0.71 [I-].CC[N+](C)(CC)CCCOC(=O)C1(CCCC1)c1ccccc1
MolPort-000-732-808 0.71 [I-].CC[N+](CC)(CC)CCCOC(=O)C1(CCCC1)c1ccccc1
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MolPort-002-705-030 0.71 CN1C2CCC1CC(C2)OC(=O)C1CCC(C(=O)OC2CC3CCC(C2)N3C)(c2ccccc2)c2ccccc12
MolPort-009-765-765 0.71 Cl.OC(C1CCCCC1)(C(=O)OCCCN1CCCC1)c1ccccc1
MolPort-046-764-844 0.71 [Br-].CCCC[N@@]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
MolPort-006-392-364 0.71 Cl.CN1C2CC(CC1C1OC21)OC(=O)C(=C)c1ccccc1
MolPort-046-598-019 0.71 CC[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C1CCC(C(=O)OC2C[C@@H]3CC[C@H](C2)[N+]3(C)CC)(c2ccccc2)c2ccccc12
MolPort-044-533-957 0.71 CC(C)(C)OC(=O)C(CN1CCC(C)(O)CC1)c1ccccc1
MolPort-039-064-230 0.71 Cl.OC(=O)CCN1CCC(CC1)OCCc1ccccc1
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MolPort-046-423-347 0.71 [Cl-].[Cl-].CC[N+]1(C)C2CCC1CC(C2)OC(=O)C1CCC(C(=O)OC2CC3CCC(C2)[N+]3(C)CC)(c2ccccc2)c2ccccc12
MolPort-009-758-366 0.71 [Cl-].[Cl-].CC[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H]1CC[C@@](C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)CC)(c2ccccc2)c2ccccc12
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MCULE-2543744138 0.71 [C@@]1(C)(CCC2C=COC=2)[C@@H](CC[C@@]2(C)C(=CCC[C@@]21[H])C)C(O)=O
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MCULE-2071553510 0.71 CC1(C(C2=COC=C2)CCCC1)O
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MCULE-9821693920 0.71 NC(C12CCCC1C2)CC1=COC=C1
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MCULE-4655244934 0.69 BrC1OC=C(CC(C23CCCC2C3)=O)C=1
MCULE-8566482277 0.69 CC1CC(C(CC2=COC=C2)O)C1
MCULE-4890727108 0.69 CC(C1(C(C2C(C)=COC=2)=O)CC1)C
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MCULE-1140818410 0.69 OC(C12CCCC1C2)CC1=COC=C1
MCULE-8403216697 0.69 [C@]12(C)CCC[C@](C)(CO)C1CCC(=C)[C@@H]2CCC1C=COC=1
MCULE-4862658387 0.69 ClCC1(CC2(CCC2)C1)CC1=COC=C1
MCULE-4966768280 0.69 BrCC1(CC2(CCC2)C1)CC1=COC=C1
MCULE-3480879718 0.69 BrC1OC=C(CC([C@H]2C[C@@H]3[C@@H](C3)C2)=O)C=1
MCULE-8725634794 0.69 BrC1=C(C(CC2CC3C(C3)C2)=O)C=CO1
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MolPort-000-740-429 0.63 [I-].CC(=O)OC1C2CCC1C(CC2)[N+]1(C)CCCC1
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MolPort-000-718-204 0.63 [Cl-].CC(=O)OC1C2CCC1C(CC2)[NH+]1CCCC1
MolPort-005-020-526 0.63 CCOC(=O)C1(CCc2ccccc2)CCN(CC1)C1CCOCC1
MolPort-046-546-882 0.63 [Na+].CC(C)(CNC1CCOC2(CC(C2)C([O-])=O)C1)c1ccccc1
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MolPort-039-111-111 0.63 O[C@@]12CCOC[C@@H]1CN(CCCC(=O)c1ccc(F)cc1)[C@H]1CCOC[C@@H]21
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MolPort-028-296-822 0.62 CC1(C)C(NC(=O)Cc2cccc(O)c2)C2CCCOC12
MolPort-007-569-696 0.62 C[N+]1(CCOC(=O)C2(CCCC2)c2ccccc2)CCCCC1
MolPort-011-086-260 0.62 OC(=O)C(CNC(=O)C1CCCOC1)c1ccccc1
MolPort-000-702-257 0.62 O=C(OCCN1CCCCC1)C1(CCCC1)c1ccccc1
MolPort-038-412-597 0.62 O=C(Cc1ccccc1)N1CCC(CC1)C(=O)N[C@H]1C[C@@H]2OCC[C@H]12
MolPort-038-415-248 0.62 Cc1cccc(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1
MolPort-001-970-723 0.62 CCOC(=O)C1CCCN(CCCc2ccccc2)C1
MolPort-035-786-246 0.62 Cl.CC(C)(C)[C@H](N)C(=O)N1CCC(CC1)OCCc1ccccc1
MolPort-044-646-203 0.62 O=C(C1CCN(CC1)C(=O)C1(CC1)c1ccccc1)N1CCC2(CCCCO2)CC1
MolPort-035-394-701 0.62 Fc1ccc(CC2CCOC3(CCNCC3)C2)cc1
MolPort-023-257-060 0.62 C(Cc1ccccc1)N1CCN(CC1)C1CCOC2(CCOCC2)C1
MolPort-029-922-642 0.62 COC(=O)C1(CCN(CCC2OCCO2)CC1)c1ccccc1
MolPort-009-339-428 0.62 O=C(CCCOCCc1ccccc1)NC1CC2CC1C1CCCC21
MolPort-046-145-354 0.62 CC(C)(C#N)C(=O)N1CCC(CC1)OCCc1ccccc1
MolPort-044-318-587 0.62 COCCC(=O)N1CCC2(CC1)CC(Cc1cccc(F)c1)CCO2
MolPort-046-622-374 0.62 Cc1ccc(CC(=O)N2CCC3(CC2)CC(CCO3)OCCOCc2ccccc2)cc1
MolPort-046-622-528 0.62 Cc1ccc(CC(=O)N2CCC3(CC2)CC(CCO3)OCC(=O)N2CCCC2)cc1
MolPort-044-858-046 0.62 Cc1ccccc1C(C)(C)C(=O)N1CCC2(C1)CCCOC2
MolPort-039-184-511 0.62 CC1OCCCC1C(=O)N1CCC(O)(Cc2cccc(C)c2)CC1
MolPort-046-692-805 0.62 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)OC
MolPort-038-979-853 0.62 CCOC(=O)C1(COC)CCCN(C1)C(=O)C(C)(C)c1ccc(F)cc1
MolPort-046-114-798 0.62 CCC(CNC(=O)C1CCCOC1C)(C(O)=O)c1ccccc1