SANC00377 Glaziovine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-5338203904 0.99 C12(C=CC(C=C1)=O)CC1C3C(=CC(OC)=C(OC)C=32)CCN1C
MolPort-001-942-727 0.99 COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[N+](C)(C)CCC3=C1
MolPort-001-942-728 0.99 COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(C)CCC3=C1
MCULE-3654166896 0.98 C12(CC3NCCC4=CC(OC)=C(OC)C1=C34)C=CC(=O)C=C2
MCULE-7642427371 0.98 C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2
MolPort-001-943-939 0.98 COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)NCCC3=C1
MCULE-4538645287 0.94 C12(CC3C4=C(CC[NH2+]3)C=C(OC)C(OC)=C14)C=CC(=O)C=C2.S(O)(=O)(=O)[O-]
MCULE-8022675444 0.94 C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2.S(O)(O)(=O)=O
MolPort-000-696-136 0.94 OS([O-])(=O)=O.COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[NH2+]CCC3=C1
MolPort-009-758-386 0.94 OS(O)(=O)=O.COC1=C(OC)C2=C3[C@@H](CC22C=CC(=O)C=C2)NCCC3=C1
MCULE-8022847521 0.93 C12(C=CC(C=C1)=O)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
MolPort-001-918-385 0.93 COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(C)=O
MCULE-3291070908 0.90 N1(CCC2C3=C(C4(C=CC(C=C4)=O)CC31)C(=C(OC)C=2)OC)C(C1C=CC=CC=1)=O
MolPort-001-990-942 0.90 COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(=O)C1=CC=CC=C1
MCULE-8307307639 0.87 C12(C=CC(C=C1)=O)CC1C3C(=CC(OC)=C(OC)C=32)CCN1C(CCC(O)=O)=O
MolPort-001-990-941 0.87 COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(=O)CCC(O)=O
MolPort-001-942-721 0.76 COC1=C(OC)C2=C3C(CC22C=CC(C=C2)=NNC(N)=O)N(CCC3=C1)C(C)=O
MCULE-2160778529 0.76 C12(C=CC(C=C1)=NNC(N)=O)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
MolPort-002-325-566 0.74 COC1=C(OC)C2=C3C(CC22C=CC(C=C2)=NNC(N)=S)N(CCC3=C1)C(C)=O
MCULE-2440351955 0.74 C12(C=CC(C=C1)=NNC(N)=S)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
MCULE-5347240072 0.72 S(=O)(=O)(C1=CC=C(C=C1)C)N1CCC2C3=C(C4(C=CC(C=C4)=O)CC13)C(=C(OC)C=2)OC
MolPort-002-243-504 0.72 COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)S(=O)(=O)C1=CC=C(C)C=C1
MCULE-1514692384 0.71 C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
MCULE-6259345237 0.70 [I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
MCULE-3536652377 0.69 C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
MolPort-002-713-281 0.69 CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCC=CC1
MolPort-002-513-326 0.68 COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-270 0.68 COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-743-261 0.68 [I-].COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-5542313374 0.68 [H]Cl.C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
MolPort-002-513-112 0.67 COC1=C2C(CC(=O)C(\C)=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-276 0.67 COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
MCULE-5486251596 0.67 C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
MCULE-7677232966 0.67 Cl.C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
MolPort-000-824-435 0.67 Cl.COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
MCULE-3926491748 0.66 N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
MCULE-6666860128 0.66 Cl.N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
MolPort-002-513-336 0.66 COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-172 0.66 COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-181 0.65 COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-699-726 0.65 [I-].COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-311 0.65 COC1=C2C(CC(=O)C=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-003-733-569 0.65 COC1=C(OC)C=C2C(CCC3=CC=CC=C3)NCCC2=C1
MolPort-000-742-857 0.65 [I-].COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MCULE-1844335967 0.65 C12=C(CCN(C)C1CC(=O)/C=C(\C)/C)C=C1C(OCO1)=C2OC
MCULE-1520472800 0.65 C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC
MCULE-5858172771 0.65 C12C(CCC3C=CC=CC=3)NCCC=1C=C(C(OC)=C2)OC
MCULE-3953892889 0.65 C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC.[I-]
MCULE-5221048285 0.65 C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
MCULE-4497568477 0.65 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
MCULE-6360277783 0.65 [C@@]123CCN([C@@H](CC4=CC=C(O)C(OC)=C14)C2=CC(=O)C(OC)=C3)C
MCULE-5371671745 0.65 N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCC=CC1
MolPort-002-513-340 0.65 COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-517-348 0.65 COC1=C[C@@]23CCN(C)[C@@H](CC4=C2C(OC)=C(O)C=C4)C3=CC1=O
MolPort-039-009-201 0.65 COC1=CC2=C(C=C1OC)C1CC(CCN1CC2)C1=CC=CC=C1
MolPort-002-149-219 0.65 COC1=C(OC)C=C2CN(CC3CCC=CC3)CCC2=C1
MolPort-035-705-636 0.64 COC1=C[C@@]23CCN(C)[C@@H](CC4=C2C(O)=C(OC)C=C4)C3=CC1=O
MolPort-009-758-102 0.64 Cl.COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-045-991-505 0.64 COCCCN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
MolPort-000-711-733 0.64 [I-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-704-354 0.64 [Cl-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[NH+](C)CCC2=CC2=C1OCO2
MolPort-023-276-304 0.64 Cl.COC1=CC2=C(C=C1O)C(CCC1=CC=C(Cl)C=C1)N(C)CC2
MolPort-002-513-098 0.64 COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MCULE-9811830415 0.64 C1(OC)C=CC2C[C@@H]3N(CC[C@]4(C=C(OC)C(=O)C=C43)C=2C=1O)C
MCULE-3598814286 0.64 [Cl-].C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
MCULE-6725886454 0.64 [I-].C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
MCULE-9251664006 0.64 COCCCN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1
MCULE-5420536073 0.64 C1(OC)=C(O)C=C2C(CCN(C)C2CC(C)C)=C1
MCULE-1316279878 0.64 C12N(CCC3C=C(OC)C(OC)=CC1=3)C(=O)C1CC=CCC21
MCULE-1468712024 0.64 C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H]
MCULE-8407052594 0.64 [C@]12(C)CCC3C(CC[C@@]4([H])CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
MCULE-8835467700 0.64 COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2(COC2)C)=C1
MCULE-5665361372 0.64 COC1=C(OC)C=C2C(CCN(C(/C=C3\CCC\3)=O)C2C2CC2)=C1
MCULE-4071678887 0.64 C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H].[I-]
MolPort-046-122-150 0.64 COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)C=C1CCC1
MolPort-009-758-113 0.64 [I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-721-313 0.64 [I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CCC6(C)[C@H]5CCC34C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-147 0.63 COC1=C2C(CC(=O)C(=C)C\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-046-600-619 0.63 COC1=C(OC)C=C2C(CC(C3=CC=CC=C3)C3=CC=CC=C3)NCCC2=C1
MolPort-002-514-854 0.63 COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-039-002-866 0.63 COC1=CC=C2C(CCC2=C1OC)NCCN1CCC2=CC=CC=C2C1
MCULE-1426657592 0.63 C12=C(CCN(C)C1CC(=O)C(=C)CC=C(C)CC/C=C(\C)/C)C=C1C(OCO1)=C2OC
MCULE-6205003288 0.63 C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
MCULE-6323143737 0.63 C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC
MCULE-8716977248 0.63 COC1C=CC2C(NCCN3CC4C=CC=CC=4CC3)CCC=2C=1OC
MCULE-9998216031 0.63 [NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
MCULE-4703348677 0.63 C12=CC(OCC)=C(OC)C=C1CCN(C)C2CC(C)C
MCULE-5349811674 0.63 C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(OC)C=1O
MCULE-6067588070 0.63 C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
MCULE-9792486342 0.63 C12=C(CCN(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
MCULE-7524574681 0.63 [I-].C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
MCULE-1938191314 0.63 N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CC2CC1C=C2
MCULE-9661243315 0.63 C12CCNC(C1=CC(=C(C=2)OC)OC)CCCO
MCULE-5124333350 0.63 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
MCULE-8073345152 0.63 C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC.Cl
MCULE-1681980695 0.63 COC1C(OC)=CC2=C(CCNC2C2CC2)C=1
MolPort-000-707-236 0.63 [I-].COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-212 0.63 COC1=C(OC)C=C2C3CCC4=C(CC(C)(C)CC4=O)N3CCC2=C1
MolPort-002-515-769 0.63 COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-317 0.63 COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-027-717-717 0.63 COC1=C2C(CC(=O)C=CC=C(C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-115-199 0.63 COC1=C(OC)C=C2CN(CC3CC4CC3C=C4)CCC2=C1
MolPort-002-516-591 0.63 COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
MolPort-003-733-563 0.63 COC1=C(OC)C=C2C(NCCC2=C1)C1CC1
MolPort-008-440-376 0.63 Cl.COC1=C(OC)C=C2C(CC(C)C)NCCC2=C1
MolPort-000-697-389 0.63 [I-].COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-009-757-552 0.63 Cl.COC1=CC2=C(C=C1OC)C(CCCO)NC(C)(C)C2
MolPort-000-739-266 0.63 [Cl-].COC1=C(OC)C=C2C(CCCO)[NH2+]C(C)(C)CC2=C1
MolPort-045-902-304 0.62 COC1=CC2=C(C=C1OC)C1(CCCCC1)CNC2CCC1=CC=CC=C1
MolPort-044-722-162 0.62 COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=C(O)C=C1
MolPort-002-150-422 0.62 COC1=CC=C(CCC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
MolPort-044-722-227 0.62 COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=CC=C1
MolPort-002-054-185 0.62 COC1=C(OC)C=C2[C@@H](C[C@@H](O)C3=CC=CC=C3)NCCC2=C1
MolPort-044-605-144 0.62 Cl.COC1=CC2=C(C=C1OC)C1(CCC1)NCC2
MolPort-046-121-242 0.62 COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(C)=O
MolPort-023-279-310 0.62 COC1=C(OC)C=C2[C@H](CCC3=CC=C(C=C3)C(F)(F)F)NCCC2=C1
MolPort-002-513-225 0.62 COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-859-392 0.62 COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)N(C)CCC2=CC2=C1OCO2
MCULE-2232276996 0.62 [Cl-].[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
MCULE-1592007325 0.62 C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC.[I-]
MCULE-9841539432 0.62 C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
MCULE-8850292099 0.62 C12C3(CCCCC3)CNC(CCC3=CC=CC=C3)C=1C=C(OC)C(OC)=C2
MCULE-9608406063 0.62 N1(C(C)CCC2=CC=C(C=C2)OC)CCC2=C(C=C(C(OC)=C2)OC)C1
MCULE-8027458524 0.62 N1(C(C)CCC2C=CC=CC=2)CCC2=C(C=C(C(OC)=C2)OC)C1
MCULE-1596792802 0.62 N1(C(C)CCC2=CC=C(C=C2)O)CCC2=C(C=C(C(OC)=C2)OC)C1
MCULE-6816023217 0.62 COC1=C(OC)C=C2C(CCN(C(C)=O)C2C2CC2)=C1
MCULE-3458399117 0.62 C12=C(CCNC1([H])CC(O)C1C=CC=CC=1)C=C(C(OC)=C2)OC
MCULE-8233858649 0.62 C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O.C(O)(=O)C(O)=O
MCULE-3253767593 0.62 C(O)(=O)C(O)=O.C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(C(OC)=CC2CCN(C)C(CC(C)C)C1=2)OC1C(O)=C(OC)C=C2CCN(C)C(CC(C)C)C=12
MCULE-1942001997 0.62 COC1=C(OC)C=C2CN(CC3=C(O)C=C4CCCC4=C3)CCC2=C1
MCULE-7012499883 0.62 C12=C(CCN(C)C1CC(=O)C1C=C(C)C=CC=1O)C=C1C(OCO1)=C2OC
MCULE-8419124340 0.62 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC=CC=1)C=C1C(OCO1)=C2OC
MCULE-5084101050 0.62 C12=C(CCN(C)C1CC(=O)C=CC1=CC=CC=C1)C=C1C(OCO1)=C2OC
MCULE-2190839823 0.62 [Cl-].C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
MCULE-2040765671 0.62 C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC
MCULE-7751160260 0.62 N1(C2CC=CC(=O)C2)CCC2C(=CC(=C(OC)C=2)O)C1
MCULE-4694584761 0.62 C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(O)C=1OC
MCULE-8092338781 0.62 C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O
MCULE-4404393518 0.62 N1(C)CCC2C(C1CC(C)C)=C(C(=C(OC)C=2)OC1C2C(CC(C)C)N(C)CCC=2C=C(OC)C=1O)OC1C(OC)=CC2CCN(C)C(CC(C)C)C=2C=1
MCULE-3783274106 0.62 C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(OC2C(O)=C(OC)C=C3C=2C(CC(C)C)N(CC3)C)C(OC)=CC2=C1C(CC(C)C)N(CC2)C
MCULE-4361313761 0.62 CCC(N1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
MCULE-9296787161 0.62 C1(C2C=C(OC)C(=CC=2CCN1C(C)=O)OC)C1C(CCCC=1O)=O
MCULE-1147558865 0.62 N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C=C2C
MCULE-1872782088 0.62 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
MCULE-3993706568 0.62 C1(=C(C=C2C(CCN3CC(CC)C(CC23)CC2C3C=C(OC)C(OC)=CC=3CCN2)=C1)OC)OC
MCULE-3329567447 0.62 C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
MCULE-9876526208 0.62 C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC
MCULE-1879064847 0.62 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC=CC=1)C=C1C(OCO1)=C2OC.[I-]
MCULE-5506248577 0.62 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
MCULE-1183853671 0.62 O=C1C[C@@]2([H])[C@]3(C4C(=CC=C(C=4O2)OC)CN(C)CC3)C=C1
MCULE-8183680162 0.62 C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
MCULE-5941065349 0.62 C12C(CC(C)C)NCCC1=CC(OC)=C(OCC)C=2
MCULE-2468125249 0.62 C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
MolPort-002-513-187 0.62 COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-178 0.62 COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-704-377 0.62 [Cl-].COC1=CC=C(CCC2[NH2+]CC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
MolPort-009-757-663 0.62 Cl.COC1=CC=C(CCC2NCC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
MolPort-045-991-286 0.62 CCC(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
MolPort-002-730-738 0.62 COC1=CC2=C(C=C1OC)C(N(CC2)C(C)=O)C1=C(O)CCCC1=O
MolPort-002-513-296 0.62 COC1=C(OC)C=C2C3CC(=O)C=C(C)N3CCC2=C1
MolPort-002-513-869 0.62 COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-002-514-170 0.62 COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-005-945-897 0.62 CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
MolPort-000-741-298 0.62 [I-].COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-001-742-665 0.62 CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
MolPort-002-512-839 0.62 CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
MolPort-002-514-426 0.62 COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
MolPort-003-847-558 0.62 COC1=C2O[C@H]3CC(=O)C=C[C@]33CCN(C)CC(C=C1)=C23
MolPort-046-793-174 0.62 COC1=C2OC3CC(=O)C=CC33CCN(C)CC(C=C1)=C23
MolPort-000-741-838 0.62 [I-].COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-606 0.62 COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-715-078 0.62 CCOC1=C(OCC)C=C2C(NCCC2=C1)C(CC)CC
MolPort-002-715-079 0.62 CCOC1=C(OCC)C=C2C(NCCC2=C1)C(C)CC
MolPort-016-584-259 0.61 Cl.Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCN)C2C
MolPort-002-517-339 0.61 CCOC1=CC=C(\C=C\C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
MolPort-000-720-053 0.61 [I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-045-993-684 0.61 COC1=CC2=C(C=C1OC)C(C1CC1)N(CC(N)=O)CC2
MolPort-045-991-287 0.61 COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)CC(C)C
MolPort-035-705-715 0.61 COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1O
MolPort-004-964-890 0.61 Cl.CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
MolPort-003-928-002 0.61 O.Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
MolPort-000-731-722 0.61 O.[Cl-].[Cl-].CC[C@H]1C[NH+]2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCC2=CC(OC)=C(OC)C=C12
MolPort-039-140-629 0.61 Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
MolPort-000-699-363 0.61 [I-].COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
MolPort-027-835-921 0.61 Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
MolPort-001-740-784 0.61 COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-001-728-168 0.61 COC1=CC2=C(C=C1OC)C1C(C)C3=CC=C(OC)C(OC)=C3CN1CC2
MolPort-001-728-103 0.61 COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-001-728-102 0.61 COC1=C(OC)C=C2C3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-000-882-010 0.61 COC1=C(O)C=C2CCN3CC4=C(C[C@@H]3C2=C1)C=CC(OC)=C4OC
MolPort-000-881-202 0.61 COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
MolPort-000-752-501 0.61 [I-].CCOC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
MolPort-000-487-312 0.61 COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-019-996-257 0.61 COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
MolPort-044-649-467 0.61 COC1=CC2=C(CCN3CC4=C(CC23)C=CC(OC)=C4OC)C=C1O
MolPort-039-052-634 0.61 COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC(OC)=C4OC
MolPort-046-790-508 0.61 COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
MolPort-039-052-373 0.61 COC1=C(OC)C=C2[C@H]3C(C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-027-717-774 0.61 [I-].CCOC1=CC=C(C=CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
MolPort-023-332-930 0.61 COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(O)C=C34)CC2=C1OC
MolPort-002-875-875 0.61 COC1=C(OC)C=C2C3CC(=O)C4=C(CCCC4)N3CCC2=C1
MolPort-002-514-624 0.61 COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-769 0.61 COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-046-196-623 0.61 COC1=C(OC)C=C2C(CC(=CC3CCN(CC4=CC=CC=C4)CC3)C2=O)=C1
MolPort-000-881-566 0.61 COC1=C(OC)C=C2C(C\C(=C/C3CCN(CC4=CC=CC=C4)CC3)C2=O)=C1
MCULE-6840023402 0.61 C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC.Cl.Cl
MCULE-6140829853 0.61 C12C(CCN(C)C1CC(=O)C=CC1C=CC(=CC=1)OCC)=CC1=C(OCO1)C=2OC
MCULE-1663357430 0.61 C123CCN(C)C(CC4C=CC(OC)=C(O)C1=4)C2=CCC(OC)=C3
MCULE-1601984791 0.61 COC1=C(OC)C=C2C(CCN(C(CC(C)C)=O)C2C2CC2)=C1
MCULE-4060727120 0.61 COC1=C(OC)C=C2C(CCN(C2C2CC2)CC(N)=O)=C1
MCULE-7092618745 0.61 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[I-]
MCULE-6495665471 0.61 N12CC(CC)C(CC3NCCC4=CC(OC)=C(OC)C=C34)CC1C1C=C(OC)C(OC)=CC=1CC2.Br
MCULE-6176661820 0.61 C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl
MCULE-9674501627 0.61 Cl.C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
MCULE-1754478820 0.61 C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC.Cl[H].Cl[H]
MCULE-3232466040 0.61 C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl.Cl
MCULE-9330327410 0.61 [H]Cl.[H]Cl.COC1C(OC)=CC2CCN[C@H](C[C@H]3C[C@]4([H])N(CCC5C4=CC(OC)=C(OC)C=5)C[C@@H]3CC)C=2C=1
MCULE-8048783243 0.61 N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C1CCCCC2=1
MCULE-9943627177 0.61 C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
MCULE-6042650831 0.61 C1(C=C2CCN3[C@@]([H])(C2=CC=1OC)[C@@H](C)C1C=CC(OC)=C(OC)C=1C3)OC
MCULE-3987199342 0.61 C12C([C@]3([H])CC4=CC=C(OC)C(OC)=C4CN3CC1)=CC(O)=C(OC)C=2
MCULE-1935763935 0.61 COC1C(O)=CC2=C(C3N(CC2)CC2C(=CC=C(C=2OC)OC)C3)C=1
MCULE-9155587841 0.61 N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=CC(OC)=C(OC)C=1C2
MCULE-9342278607 0.61 [H]Cl.C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
MCULE-2722992989 0.61 [H]Cl.C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
MCULE-9823434055 0.61 N12CCC3C(=CC(=C(OC)C=3)OC)[C@]1([H])CC1=CC=C(OC)C(OC)=C1C2
MCULE-8349247867 0.61 [N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
MCULE-6675093805 0.61 N12CCC3C=C(OC)C(OC)=CC=3C1C(C)C1C=CC(OC)=C(OC)C=1C2
MCULE-2739186472 0.61 C1(OC)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1O
MCULE-9945463658 0.61 C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@]3([H])C2=CC=1OC
MCULE-9590328189 0.61 N12CCC3C(=CC(=C(OC)C=3)OC)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
MCULE-5343199995 0.61 N12CCC3C(=CC(=C(OC)C=3)OC)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
MCULE-5827277495 0.61 C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1OC
MCULE-1328768112 0.61 N12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
MCULE-8781608015 0.61 C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
MCULE-6347733673 0.61 C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
MCULE-3384787041 0.61 O=C1C2C=C(C(=CC=2C/C/1=C\C1CCN(CC2C=CC=CC=2)CC1)OC)OC
MCULE-9164576534 0.61 C1(=CC2CCN(CC2)CC2=CC=CC=C2)CC2=C(C=C(C(OC)=C2)OC)C1=O
MCULE-1397624299 0.61 COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2N(C)N=CC=2)=C1
MCULE-4040643278 0.61 C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
MCULE-7011532507 0.61 C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
MCULE-3935956997 0.61 C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
MCULE-3623977626 0.61 C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
MCULE-9415024151 0.61 CC(=O)NC(C1N(CC)CCC2C1=CC(OC)=C(OC)C=2)C(C)C
MCULE-8261947680 0.61 C1(OC)C(OC)=CC2C[C@@H]3N(C)CC[C@]4(C=C(OC)C(=O)C=C43)C=2C=1
MCULE-9182503057 0.61 C12CN(CCCC3C=CC=CC=3)CCC=1C=C(OC)C(OC)=C2
MCULE-4239205032 0.61 C12CN(CCC=1C=C(OC)C(OC)=C2)CCC(C)C1=CC=CC=C1
MCULE-6345887730 0.61 [N+]1(C)(CCCC[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC2=CC=C(OC)C=C2)CCC2=C(C=C(C(OC)=C2)OC)C1CC1C=CC(OC)=CC=1
MCULE-5347617329 0.61 OC1C(OC)=CC2CCN3CC4C(=C(C=CC=4C[C@@]3([H])C=2C=1)O)OC
MCULE-1663051633 0.61 [C@@]12([H])CC3=C(C(O)=C(OC)C=C3)CN1CCC1C=C(OC)C(O)=CC2=1
MCULE-6361134516 0.61 C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1O
MCULE-3257801266 0.61 C12C=C(C(=CC=1C(C(C)C2(C)C)(C)C)C)C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2
MCULE-8730131893 0.61 C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
MCULE-1105978207 0.61 C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
MCULE-2879546752 0.61 C12=C(CCN(C)C1CC(=O)C1C=CC(=C(C)C=1)C)C=C1C(OCO1)=C2OC
MCULE-9495472668 0.61 [I-].[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
MCULE-7006385138 0.61 Cl.C12C=C(OC)C(OC)=CC=1C1CC3C=CC(OC)=C(OC)C=3CN1CC2
MCULE-7464134414 0.61 [NH+]12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2.[Cl-]
MCULE-4457029529 0.61 C12C(CC=C)NC3(CCCC3)CC=1C=C(OC)C(OC)=C2
MCULE-2634672186 0.61 C123CCC=CC1=CC(=O)N2CCC1=CC=C(OC)C=C31
MCULE-3431736027 0.61 COC1=C(OC)C=C2C(CCN(C([C@@H](C(C)C)O)=O)C2C2CC2)=C1
MCULE-1774160203 0.61 COC1=C(OC)C=C2C(CCN(C(C3CC=CCC3)=O)C2CC(O)=O)=C1
MCULE-3515784495 0.61 C12=C(CCN(C)C1CC(=O)C1C=CC=CC=1O)C=C1C(OCO1)=C2OC
MCULE-5876741895 0.61 [I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
MCULE-7082684567 0.61 COC1C=CC(CC(NC2C3C=CC=CC=3CC2)C)=CC=1OC
MCULE-1435751933 0.61 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1=CC=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
MCULE-7401691939 0.61 Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
MCULE-9954073702 0.61 Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
MCULE-7105415085 0.61 C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
MCULE-6498289847 0.61 C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
MCULE-9667743097 0.61 [C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
MCULE-1446120151 0.61 [C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
MCULE-7105035945 0.61 [C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
MolPort-045-993-686 0.61 COC1=CC2=C(C=C1OC)C(C1CC1)N(CC1=CC=NN1C)CC2
MolPort-002-514-947 0.61 COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-514-662 0.61 COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-020 0.61 COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-287 0.61 COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-045-902-503 0.61 COC1=CC2=C(CN(CCC(C)C3=CC=CC=C3)CC2)C=C1OC
MolPort-039-338-440 0.61 COC1=CC2=C(C=C1OC)[C@@]13CCN(C)[C@@H](C2)C1=CC(=O)C(OC)=C3
MolPort-037-543-694 0.61 COC1=CC2=C(CN(CCCC3=CC=CC=C3)CC2)C=C1OC
MolPort-046-153-752 0.61 COC1=C(O)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(O)=C(OC)C=C4
MolPort-003-850-289 0.61 COC1=C(O)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
MolPort-020-005-719 0.61 COC1=CC2=C(C=C1O)[C@@H]1CC3=CC=C(O)C(OC)=C3CN1CC2
MolPort-002-513-306 0.61 COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-312 0.61 COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-217 0.61 COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-373 0.61 COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
MolPort-002-321-247 0.61 Cl.COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-009-653-440 0.61 Cl.COC1=C(OC)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-009-758-012 0.61 Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-949 0.61 COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-000-734-784 0.61 [Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
MolPort-000-720-730 0.61 [I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-697-827 0.61 [Cl-].COC1=C(OC)C=C2[C@H]3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-009-757-742 0.61 Cl.COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
MolPort-044-804-761 0.61 COC1=CC2=C(CCN3C(=O)C=C4C=CCC[C@@]234)C=C1
MolPort-002-510-674 0.61 COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
MolPort-046-122-148 0.61 COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)[C@H](O)C(C)C
MolPort-039-336-408 0.61 COC1=CC2=C(CCN3C(=O)C=C4C=CCCC234)C=C1
MolPort-000-743-610 0.61 [I-].COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-009-757-955 0.61 I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-039-230-141 0.61 COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)C1CCC=CC1
MolPort-000-827-286 0.61 [I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-514-454 0.61 COC1=C2C(CC(=O)C3=C(O)C=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-729-408 0.61 [I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-240 0.61 COC1=C2C(CC(=O)C3=C(O)C=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-006-393-733 0.61 COC1=C(OC)C=C2[C@@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
MolPort-006-393-731 0.61 COC1=C(OC)C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1
MolPort-020-180-692 0.61 Cl.COC1=CC=C(CCCN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
MolPort-020-180-693 0.61 Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(CCCC1=CC=CC=C1)C2
MolPort-002-513-314 0.61 COC1=CC=C(\C=C\C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1OC
MolPort-046-418-253 0.61 COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
MolPort-002-513-198 0.61 COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
MolPort-028-744-724 0.61 COC1=C(OC)C=C2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCC2=C1
MolPort-000-706-807 0.60 [I-].COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-323 0.60 COC1=C2C(CC(=O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-002-513-291 0.60 COC1=C2C(CC(=O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-000-756-471 0.60 [I-].[I-].COC1=CC=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC=C(OC)C=C2)C=C1
MolPort-005-592-775 0.60 COC1=CC(CC=C)=C(O)C(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C1
MolPort-000-516-075 0.60 COC1=C2C(CC(=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-514-872 0.60 COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-731-251 0.60 [I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-268 0.60 COC1=CC=CC(OC)=C1C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-000-516-083 0.60 COC1=C(C=CC=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-513-153 0.60 COC1=CC(O)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-002-513-104 0.60 COC1=CC=CC(OC)=C1C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-508-854 0.60 COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
MolPort-000-712-320 0.60 [Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCC3)CC2=C1
MolPort-002-515-970 0.60 COC1=C(C=CC=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-002-514-448 0.60 COC1=CC(O)=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-003-181-932 0.60 Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
MolPort-000-741-599 0.60 [I-].COC1=C2C(CC(=O)C3=C(O)C=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-001-925-312 0.60 CN1CCC2=CC3=C(OCO3)C3=C2C1CC31CCC(CC1)=NO
MolPort-002-515-208 0.60 COC1=C2C(CC(=O)C3=CC4=C(CCCC4)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-000-726-697 0.60 [I-].COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
MolPort-044-722-220 0.60 COC1=C(OC)C=C2CN(CCC2=C1)C1CC2=CC=CC=C2C1
MolPort-002-508-696 0.60 COC1=CC2=C(C=C1OC)[C@H]1[C@@H](C)C(=O)C3=C(CC(C)(C)CC3=O)N1CC2
MolPort-045-991-503 0.60 COC1=CC2=C(C=C1OC)C(C1CC1)N(CC1=NN(C)N=C1)CC2
MolPort-002-509-463 0.60 COC1=CC2=C(C=C1OC)[C@@H]1CC(=O)C3=C(CC(C)(C)CC3=O)N1CC2
MolPort-045-993-687 0.60 CNC(=O)CN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
MolPort-000-746-179 0.60 [I-].COC1=C2C(CC(=O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-514-419 0.60 COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-002-515-048 0.60 COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-001-974-917 0.60 COC1=CC2=C(C=C1OC)C1(CCCC1)CNC2C
MolPort-002-513-295 0.60 COC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
MolPort-042-646-660 0.60 COC1=C2C(CC(=O)C3=CC=C(O)C=C3)N(C)CCC2=CC2=C1OCO2
MolPort-039-194-622 0.60 COC1=CC=C2C=C(C=CC2=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-002-513-111 0.60 COC1=C2C(CC(C)=O)[N+](C)(C)CCC2=CC2=C1OCO2
MolPort-002-513-338 0.60 COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
MolPort-020-103-855 0.60 COC1=CC2=C(CN(CC2)C(=O)C2CCC=CC2)C=C1OC
MolPort-000-516-078 0.60 COC1=CC=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
MolPort-000-824-393 0.60 COC1=C2C(CC(C)=O)N(C)CCC2=CC2=C1OCO2
MCULE-4721308744 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
MCULE-3770420601 0.60 C12C=C(C(=CC=1C(C(C)C2(C)C)(C)C)C)C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2.[I-]
MCULE-7839551618 0.60 [N+]1(C)(CCCC[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC2=CC=C(OC)C=C2)CCC2=C(C=C(C(OC)=C2)OC)C1CC1C=CC(OC)=CC=1.[I-].[I-]
MCULE-2284601813 0.60 COC1=CC(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)=C(O)C(CC=C)=C1
MCULE-2156282825 0.60 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
MCULE-6386950507 0.60 C12=C(CCN(C)C1CC(C1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
MCULE-1404654898 0.60 C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
MCULE-5574153733 0.60 C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
MCULE-8629115386 0.60 C12=CC(OCC)=C(OCC3=CC=CC=C3)C=C1CCN(C)C2CC(C)C
MCULE-5543469571 0.60 [NH2+]1C2(CCCC2)CC2=C(C=C(C(OC)=C2)OC)C1CC=C.[Cl-]
MCULE-4818309974 0.60 C1(OC)C=C2CCN(C(CC(C)C)C2=CC=1OCC1C=CC=CC=1)C
MCULE-1332611476 0.60 C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
MCULE-3698018759 0.60 [N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
MCULE-9993170991 0.60 COC1C=C2C(C(N(C(C3CC=CC3)=O)CC2)CC(=O)O)=CC=1OC
MCULE-7465716499 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
MCULE-1778111412 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC
MCULE-8515575426 0.60 C12=C(CCN(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
MCULE-4068202259 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
MCULE-1513524652 0.60 C12C3CCN(C)C1CC1(CCC(CC1)=NO)C=2C1=C(OCO1)C=3
MCULE-5453763516 0.60 C12=C(CCN(C)C1CC(=O)C1=C(C=CC=C1OC)OC)C=C1C(OCO1)=C2OC
MCULE-2359448863 0.60 C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
MCULE-4851406858 0.60 C12C(CCN(C)C1CC(=O)C1C=CC3=C(CCCC3)C=1)=CC1=C(OCO1)C=2OC
MCULE-3514048268 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1=CC=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC.[I-]
MCULE-7892787421 0.60 N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CC2=C(C=CC=C2)C1
MCULE-5647998057 0.60 CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
MCULE-9018722707 0.60 CNC(CN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
MCULE-5523358635 0.60 COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2=NN(C)N=C2)=C1
MCULE-4575788062 0.60 C123CC=CC=C1C(CC1=CC=C(OC)C(O)=C21)N(CC3)C
MCULE-1372189946 0.60 C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
MCULE-6708622406 0.60 C12C(=O)CC(CC=1N1[C@@]([H])(C3C=C(OC)C(=CC=3CC1)OC)[C@@H](C)C2=O)(C)C
MCULE-5390549135 0.60 C12C(=O)CC(C)(C)CC=1N1CCC3C=C(OC)C(OC)=CC=3C1CC2=O
MCULE-7332159014 0.60 [I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
MCULE-5148542802 0.60 C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
MCULE-5636922150 0.60 COC1=C(OC)C=C2C(CCN(C(C3CC=CCC3)=O)C2)=C1
MCULE-1999345931 0.60 C12C(CCN(C)C1CC(=O)C1=CC=C(C=C1)O)=CC1=C(OCO1)C=2OC
MCULE-6720292628 0.60 C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
MCULE-4130170190 0.60 C12C(CCN(C)C1CC(=O)C1C=CC3=C(C=CC(OC)=C3)C=1)=CC1=C(OCO1)C=2OC
MCULE-6459753628 0.60 C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1)OC)C=C1C(OCO1)=C2OC
MCULE-3230121031 0.60 C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
MCULE-3854036223 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(OC)C=C1)C=C1C(OCO1)=C2OC
MCULE-2001165445 0.60 C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2
MCULE-4172303877 0.60 C12C(CCN(C)C1CC(C)=O)=CC1=C(OCO1)C=2OC
MCULE-5951452418 0.60 [I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
MCULE-8207424392 0.60 C1C2=C(C(=C3OCOC3=C2)OC)C(N(C1)C)CC(=O)C1C(OC)=CC(OC)=CC=1
MCULE-4063929606 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC
MCULE-4904268622 0.60 [I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
MCULE-6910387877 0.60 C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)OCC)=CC1=C(OCO1)C=2OC
MCULE-7655435466 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC.[I-]
MCULE-5303145029 0.60 C12C(CCN(C)C1CC(=O)C1=CC(O)=CC=C1O)=CC1=C(OCO1)C=2OC
MCULE-5136907017 0.60 Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
MCULE-3261394749 0.60 [I-].[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
MCULE-1012773985 0.60 [Cl-].C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
MCULE-5022763601 0.60 Cl.C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
MCULE-2672501952 0.60 C1C=C2C(CNCC2=C(O)C=1OC)CC1C=CC(OC)=C(O)C=1
MCULE-5732311573 0.60 C12C(CC)N(C)CCC1=CC(OC)=C(O)C=2
MCULE-1759699073 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)=CC(=C(C)C=1C)OC)C=C1C(OCO1)=C2OC
MCULE-8419304157 0.60 C12=C(CCN(C)C1CC(=O)C=CC1C(C)=CC(=C(C)C=1C)OC)C=C1C(OCO1)=C2OC
MCULE-2700319425 0.60 N12CCC3=C(C=C(C(OC)=C3)OC)[C@H]1CC(=O)[C@H](CC(C)C)C2
MCULE-5822627411 0.60 N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C(CC(C)C)C2
MCULE-6472043806 0.60 N12CCC3=C(C=C(C(OC)=C3)OC)[C@@H]1CC(=O)[C@@H](CC(C)C)C2
MCULE-8705177202 0.60 [I-].CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
MCULE-4667092841 0.60 COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2COCCC2)=C1
MCULE-5458437044 0.60 C12=CC(OC)=C(OC)C=C1CCN1[C@@]2([H])CC(=O)[C@@H](CC(C)C)C1
MCULE-6743435165 0.60 C12=CC(OC)=C(OC)C=C1CCN1[C@]2([H])CC(=O)[C@H](CC(C)C)C1
MCULE-6302151901 0.60 C12=CC(OC)=C(C=C1CN(CCC(C)=O)CC12CCCC1)OC
MCULE-1154490579 0.60 N1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CC1(CCCC1)C1=CC=CC=C1
MCULE-1210210850 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
MCULE-4428957472 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC
MCULE-6777406519 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(OC)C=C1)C=C1C(OCO1)=C2OC.[I-]
MCULE-6057697028 0.60 C12=C(CCN(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC
MCULE-7540454870 0.60 [I-].C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
MCULE-5473096762 0.60 Cl.C12=C(CCN(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
MCULE-9099290556 0.60 C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
MCULE-9033959851 0.60 Cl.C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
MCULE-1818050283 0.60 [NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
MCULE-5750570919 0.60 [Cl-].C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
MCULE-6081058328 0.60 C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2.Cl
MCULE-7542405721 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1C(C)=CC3=C(C(C)(C)CC(C)C3(C)C)C=1)C=C1C(OCO1)=C2OC
MCULE-1070712624 0.60 C12=C(CCN(C)C1CC(CC/C=C(\C)/C)=O)C=C1C(OCO1)=C2OC
MCULE-2144214276 0.60 C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
MCULE-6113831221 0.60 C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC.[I-]