| MCULE-3462144969 |
0.91 |
C1=CC2C3C=CC4C=C5OCOC5=CC=4C=3N=CC=2C(OC)=C1O
|
|
| MolPort-035-705-713 |
0.91 |
COC1=C(O)C=CC2=C1C=NC1=C2C=CC2=C1C=C1OCOC1=C2
|
|
| MolPort-044-754-150 |
0.89 |
COC1=C(OC)C2=C(C=C1)C1=C(N=C2)C2=C(C=C1)C=C1OCOC1=C2
|
|
| MolPort-039-338-524 |
0.89 |
C1OC2=CC3=C(C=C2O1)C1=C(C=C3)C2=C(C=N1)C1=C(OCO1)C=C2
|
|
| MCULE-7774769907 |
0.89 |
[N+]1(C)C=CC2C(=CC3=C(C=2)OCO3)C=1
|
|
| MCULE-1262223230 |
0.89 |
C1C=C2C3C=CC4C=C5OCOC5=CC=4C=3N=CC2=C2OCOC=12
|
|
| MCULE-9350792883 |
0.89 |
C1=CC2C3C=CC4C=C5OCOC5=CC=4C=3N=CC=2C(OC)=C1OC
|
|
| MCULE-6332676783 |
0.88 |
[I-].[N+]1(C)C=CC2C(=CC3=C(C=2)OCO3)C=1
|
|
| MCULE-6685051637 |
0.88 |
C1(OC)=CC2C3C=CC4C=C5OCOC5=CC=4C=3[N+](C)=CC=2C=C1OC
|
|
| MolPort-016-638-420 |
0.86 |
[Cl-].COC1=CC2=C(C=C1OC)C1=CC=C3C=C4OCOC4=CC3=C1[N+](C)=C2
|
|
| MCULE-4102196999 |
0.86 |
C1(OC)=CC2C3C=CC4C=C5OCOC5=CC=4C=3[N+](C)=CC=2C=C1OC.[Cl-]
|
|
| MCULE-6859092745 |
0.86 |
C12C=CNC=1C=CC1OCOC2=1
|
|
| MCULE-5323303435 |
0.86 |
C12NC=CC1=CC1=C(OCO1)C=2
|
|
| MolPort-000-742-996 |
0.86 |
O.C1OC2=C(O1)C=C1C=CNC1=C2
|
|
| MolPort-001-782-234 |
0.86 |
C1OC2=C(O1)C=C1C=CNC1=C2
|
|
| MCULE-4727720694 |
0.81 |
C[N+]1C=C2C(C=CC3OCOC=32)=C2C=1C1C(C=C2)=CC2OCOC=2C=1
|
|
| MCULE-5013851536 |
0.81 |
[N+]1(C)=CC2=C(C=CC(OC)=C2OC)C2C=CC3C=C4C(OCO4)=CC=3C1=2
|
|
| MCULE-8038859082 |
0.81 |
C12C=NC=CC1=CC1OCOC=1C=2OC
|
|
| MCULE-2250564733 |
0.81 |
[Cl-].C[N+]1C=C2C(C=CC3OCOC=32)=C2C=1C1C(C=C2)=CC2OCOC=2C=1
|
|
| MolPort-046-761-310 |
0.81 |
[Cl-].[2H][13C]([2H])([2H])[N+]1=CC2=C(C=CC3=C2OCO3)C2=C1C1=C(C=C2)C=C2OCOC2=C1
|
|
| MolPort-006-106-669 |
0.81 |
COC1=C(OC)C2=C(C=C1)C1=C(C3=C(C=C1)C=C1OCOC1=C3)[N+](C)=C2
|
|
| MolPort-003-939-254 |
0.81 |
[Cl-].C[N+]1=CC2=C(C=CC3=C2OCO3)C2=C1C1=C(C=C2)C=C2OCOC2=C1
|
|
| MolPort-002-526-863 |
0.81 |
C[N+]1=CC2=C(C=CC3=C2OCO3)C2=C1C1=C(C=C2)C=C2OCOC2=C1
|
|
| MolPort-003-983-741 |
0.79 |
[Cl-].COC1=C(OC)C2=C(C=C1)C1=C(C3=C(C=C1)C=C1OCOC1=C3)[N+](C)=C2
|
|
| MCULE-5669434984 |
0.79 |
[Cl-].C[N+]1C2C3C(C=CC=2C2C(=C(C(=CC=2)OC)OC)C=1)=CC1OCOC=1C=3
|
|
| MCULE-4060873234 |
0.79 |
C12C=NC=CC1=CC1OCOC=1C=2OC.Br
|
|
| MolPort-001-757-475 |
0.78 |
COC1=CC2=CC=NC=C2C=C1OC
|
|
| MCULE-6882343029 |
0.78 |
N1C=CC2C=C(OC)C(OC)=CC=2C=1
|
|
| MCULE-5643627086 |
0.78 |
C1(O)C=C2C=NC=CC2=CC=1OC
|
|
| MolPort-003-661-403 |
0.78 |
COC1=CC2=CC=NC=C2C=C1O
|
|
| MCULE-9303504128 |
0.77 |
C12C=[N+](C)C=CC1=CC1OCOC=1C=2O
|
|
| MCULE-9578828221 |
0.77 |
C12C=C3OCOC3=CC=1NC=C2N
|
|
| MCULE-4943277581 |
0.76 |
FC1=C2C(C=C3C(=C2)OCO3)=CC=N1
|
|
| MCULE-1518434965 |
0.76 |
ClC1C2C(=CC3=C(C=2)OCO3)N=CC=1
|
|
| MCULE-4568612086 |
0.76 |
[Cl-].C12C=[N+](C)C=CC1=CC1OCOC=1C=2O
|
|
| MCULE-1592214653 |
0.75 |
C12C(=O)C=CNC=1C=C1OCOC1=C2
|
|
| MCULE-2476088210 |
0.75 |
[N+]1(C)=CC2=C(C=CC(OC)=C2OC)C2C=CC3C=C4C(OCO4)=CC=3C1=2.S(O)(=O)(=O)[O-]
|
|
| MolPort-003-800-089 |
0.75 |
OS([O-])(=O)=O.COC1=C(OC)C2=C(C=C1)C1=C(C3=C(C=C1)C=C1OCOC1=C3)[N+](C)=C2
|
|
| MolPort-001-770-457 |
0.74 |
COC1=CC2=CN=CC=C2C=C1
|
|
| MolPort-001-789-384 |
0.74 |
COC1=CC2=CC=CN=C2C=C1
|
|
| MolPort-009-684-599 |
0.74 |
COC1=CC=CC2=CN=CC=C12
|
|
| MCULE-4318623716 |
0.74 |
N1C=CC=C2C=C(OC)C=CC2=1
|
|
| MCULE-3426872242 |
0.74 |
COC1=CC2=C(C=CN=C2)C=C1
|
|
| MCULE-5649533868 |
0.74 |
C12C=CN=CC1=CC=CC=2OC
|
|
| MCULE-4731211304 |
0.74 |
C12C=[N+](C)C=CC1=CC1OCOC=1C=2OC
|
|
| MolPort-001-835-659 |
0.73 |
COC1=CC=CC2=C1C=C1NC(=O)C3=CC4=C(OCO4)C2=C13
|
|
| MCULE-4262403627 |
0.73 |
C12OCOC=1C1C3C=CC=C(OC)C=3C=C3NC(=O)C(=C2)C=13
|
|
| MCULE-8538279494 |
0.73 |
C12C=C(C=CC=1NC1C=CC(OC)=CC2=1)OC
|
|
| MCULE-5809392169 |
0.73 |
C12C=C(OC)C=CC=1NC=C2
|
|
| MCULE-6351844442 |
0.73 |
COC1=CC2=C(C=CN=C2)C=C1.Cl
|
|
| MCULE-4690691562 |
0.73 |
N1C2=CC=CC=C2C2C=C(OC)C=CC=21
|
|
| MCULE-8457687546 |
0.73 |
Cl.C1C2=C(C(OC)=CC=C2)C=CN=1
|
|
| MolPort-004-955-822 |
0.73 |
COC1=CC2=C(NC3=C2C=C(OC)C=C3)C=C1
|
|
| MolPort-002-685-241 |
0.73 |
COC1=CC2=C(NC3=C2C=CC=C3)C=C1
|
|
| MolPort-016-634-498 |
0.73 |
Cl.COC1=CC2=CN=CC=C2C=C1
|
|
| MolPort-027-950-397 |
0.73 |
Cl.COC1=CC=CC2=CN=CC=C12
|
|
| MolPort-000-139-469 |
0.73 |
COC1=CC=C2NC=CC2=C1
|
|
| MolPort-027-946-344 |
0.72 |
COC1=CC=C2NC=CC2=C1O
|
|
| MCULE-3495525187 |
0.72 |
C12C=[N+](C)C=CC1=CC1OCOC=1C=2OC.[Br-]
|
|
| MCULE-8544129434 |
0.72 |
C12C=[N+](C)C=CC1=CC(OC)=C1OCOC1=2
|
|
| MCULE-8061948048 |
0.72 |
O(C)C1=CC=C2C(C=CN2)=C1O
|
|
| MolPort-022-133-317 |
0.71 |
COC1=CC2=CC=CN=C2C=C1OC
|
|
| MolPort-029-117-372 |
0.71 |
COC1=C(OC)C2=CN=CC=C2C=C1
|
|
| MCULE-4361955486 |
0.71 |
C12C=[N+](C)C=CC1=CC(OC)=C1OCOC1=2.[Br-]
|
|
| MCULE-5913721591 |
0.71 |
COC1C=C2C(N=CC=C2)=CC=1OC
|
|
| MolPort-002-842-494 |
0.70 |
COC1=NC2=CC3=C(OCO3)C=C2C(OC)=C1
|
|
| MolPort-001-770-456 |
0.70 |
COC1=CC2=CC=NC=C2C=C1
|
|
| MCULE-3261222699 |
0.70 |
C12C=C3OCOC3=CC1=NC=C(Cl)C=2O
|
|
| MCULE-9852199623 |
0.70 |
C12=CC3OCOC=3C=C1C(=CC(OC)=N2)OC
|
|
| MCULE-4708516668 |
0.70 |
[N+]1(C)C=CC2C(=CC(=C(OC)C=2)OC)C=1
|
|
| MCULE-6429878777 |
0.70 |
C12C(C=CN=C1)=CC(OC)=CC=2
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|
| MCULE-6828609689 |
0.70 |
C1NC2C(=C(OC)C(O)=CC=2)C=1
|
|
| MolPort-037-973-598 |
0.69 |
COC1=CC=C2N=C(O)C=CC2=C1
|
|
| MCULE-1730970813 |
0.69 |
C(COC1=CC2=C(N=CC=C2)C=C1)COC1=CC2=C(OCO2)C=C1
|
|
| MCULE-2755842570 |
0.69 |
[I-].[N+]1(C)C=CC2C(=CC(=C(OC)C=2)OC)C=1
|
|
| MCULE-9363483133 |
0.69 |
Cl.COC1C=CC2C=NC=CC=2C=1
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|
| MCULE-4613027768 |
0.69 |
C12C=CC=NC=1C=CC(OCC)=C2
|
|
| MolPort-020-068-361 |
0.69 |
C(COC1=CC2=CC=CN=C2C=C1)COC1=CC=C2OCOC2=C1
|
|
| MolPort-006-716-864 |
0.69 |
Cl.COC1=CC2=CC=NC=C2C=C1
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|
| MolPort-022-120-012 |
0.69 |
COC1=CC2=CN=CC=C2C(OC)=C1
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|
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0.68 |
COC1=CC=C2NC=CC2=C1OC
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|
| MolPort-000-154-624 |
0.68 |
COC1=C(OC)C=C2C=CNC2=C1
|
|
| MCULE-5388206948 |
0.68 |
C12=CC3OCOC=3C=C1N=CC(Cl)=C2Cl
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|
| MCULE-5379927188 |
0.68 |
N1C2=C(C=C3OCOC3=C2)C(O)=CC1=O
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|
| MCULE-9203212898 |
0.68 |
C12NC=CC=1C=C(OC)C(OC)=C2
|
|
| MCULE-9748537313 |
0.68 |
[N+]1(C)=CC=CC2C=C(OC)C=CC1=2
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|
| MCULE-2024751024 |
0.68 |
C12=CC3OCOC=3C=C1N=CC(I)=C2O
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|
| MolPort-002-321-200 |
0.68 |
COC1=CC2=CC=C[N+]([O-])=C2C=C1
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|
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0.68 |
COC1=C(O)C=C2C=CNC2=C1
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0.68 |
COC1=CC2=CC=C[N+](C)=C2C=C1
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0.68 |
COC1=CC=C2C=C[N+]([O-])=CC2=C1
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0.68 |
COC1=CC2=NC=CC(O)=C2C=C1OC
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0.67 |
COC1=CC=C2N=CC(O)=CC2=C1
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0.67 |
N1C=CC2=CC(OC3=CC=CC=C3)=CC=C12
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0.67 |
CCOC1=CC=C2NC=CC2=C1
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0.67 |
COC1=CC2=C(O)C=CN=C2C=C1
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|
| MolPort-034-248-802 |
0.67 |
COC1=CC=C2N(C=CC2=C1)C(F)F
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|
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0.67 |
C12C(O)=CC=NC1=CC=C(OC)C=2
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|
| MCULE-7075077822 |
0.67 |
C12=CC(OCC)=CC=C1NC=C2
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|
| MCULE-7748979806 |
0.67 |
C12C=C(C=CC=1NC=C2)OC1C=CC=CC=1
|
|
| MCULE-5969719518 |
0.67 |
Cl.C12C=CC=NC=1C=CC(OCC)=C2
|
|
| MCULE-1183604178 |
0.67 |
N1=CC(O)=CC2C=C(OC)C=CC=21
|
|
| MCULE-6663796720 |
0.67 |
C12=CC3OCOC=3C=C1C(=CC(Cl)=N2)Cl
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|
| MCULE-6924882694 |
0.67 |
[N+]1(C)=CC=CC2C=C(OC)C=CC1=2.[I-]
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|
| MCULE-9793179089 |
0.67 |
C12C=CN=CC=1C(OC)=CC=C2OC
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|
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0.67 |
[N+]1(CC)=CC=CC2C=C(OC)C=CC1=2
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|
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0.67 |
COC1=CC=C(OC)C2=CN=CC=C12
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|
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0.67 |
[I-].COC1=CC2=CC=C[N+](C)=C2C=C1
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0.66 |
COC1=CC=C2N=C3C=CC=CC3=C(N)C2=C1
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0.66 |
COC1=CC=C2N=CC=C(N)C2=C1
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|
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0.66 |
COC1=C2C=CNC2=CC=C1
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|
| MCULE-2745371291 |
0.66 |
O(CC)C1=CC=C2C(C=CN2)=C1O
|
|
| MCULE-2935950117 |
0.66 |
C12=CC(OC)=CC=C1N=CC=C2N
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|
| MCULE-6459185191 |
0.66 |
C12C(=CC=CC=1NC=C2)OC
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|
| MCULE-3586216850 |
0.66 |
C12C=C(C=CC=1N=C1C(C=CC=C1)=C2N)OC
|
|
| MCULE-9711850310 |
0.66 |
CC(OC1C=CC2NC=CC=2C=1)C
|
|
| MCULE-5846559762 |
0.66 |
C12=CC3OCOC=3C=C1N=CC(Br)=C2Cl
|
|
| MCULE-8930163356 |
0.66 |
N1C2C(C=C(C)C=1S)=CC1OCOC=1C=2
|
|
| MCULE-7116148622 |
0.66 |
NC1C2C(=CC(=C(C=2)OC)OC)N=CC=1
|
|
| MCULE-9255459983 |
0.66 |
[N+]1(CCC)=CC=CC2C=C(OC)C=CC1=2
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|
| MCULE-6980239253 |
0.66 |
[N+]1(CC)=CC=CC2C=C(OC)C=CC1=2.[I-]
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|
| MolPort-001-639-733 |
0.66 |
[I-].CC[N+]1=C2C=CC(OC)=CC2=CC=C1
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|
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0.65 |
CCOC(C)OC1=CC2=CC=C(Cl)N=C2C=C1
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|
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0.65 |
ClC1C=CC2C(=CC=C(C=2)OC(C)OCC)N=1
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|
| MCULE-1628258533 |
0.65 |
C12C=CNC1=CC(=C(OC)C=2OC)OC
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0.65 |
N1C2=C(C=C(Br)C=1Cl)C=C1C(OCO1)=C2
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|
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0.65 |
N1C=C2C=CC=CC2=C(OC)C=1
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|
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0.65 |
C12C=CC=NC1=CC=C(OC)C=2N
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0.65 |
N1=CC(N)=CC2=CC(OC)=CC=C21
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|
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0.65 |
COC1=C2C(C=NC=C2)=C(N)C=C1
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|
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0.65 |
C1(N)C=C(OC)C=C2C=CC=NC=12
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|
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0.65 |
C12C=CC(N)=NC=1C=CC(OC)=C2
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|
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0.65 |
N1=CC(OC)=CC2=CC=CC=C21
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|
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0.65 |
N1(C)C=CC2C=C(OC)C=CC1=2
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0.65 |
COC1C=C2C(N=CC3C4C=CC=CC=4NC=32)=CC=1
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|
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0.65 |
N1(C)C2C=CC=CC=2C2=CC(OC)=CC=C21
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0.65 |
C12C(N)=CC=CC=1C=C1C(OCO1)=C2
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0.65 |
N1C=CC2C(OC)=C(OC)C(OC)=CC=2C=1O
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|
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0.65 |
N1C2=CC=CC=C2C=C(OC)C=1O
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|
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0.65 |
COC1C=C2C=C(N)C=NC2=CC=1OC
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0.65 |
COC1=C(OC)C(OC)=C2C=CNC2=C1
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COC1=CC2=CC=CN=C2C(N)=C1
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COC1=C(N)C2=CC=CN=C2C=C1
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0.65 |
COC1=CC2=CC=CC=C2N=C1
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|
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0.65 |
COC1=CC2=CC(N)=CN=C2C=C1
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COC1=CC=C2N(C)C=CC2=C1
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COC1=C2C=CC=CC2=CN=C1
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COC1=CC=C(N)C2=CN=CC=C12
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0.65 |
COC1=CC2=C(C=C1)N(C)C1=C2C=CC=C1
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|
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0.65 |
O.Br.OC1=CC2=CC=NC=C2C=C1O
|
|
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0.65 |
COC1=CC2=CC(N)=CN=C2C=C1OC
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|
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0.64 |
COC1=CC=C2C=C(O)N=C(O)C2=C1
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|
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0.64 |
[I-].CCC[N+]1=C2C=CC(OC)=CC2=CC=C1
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|
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0.64 |
CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C2C1=CC1=C3C=CC=C1
|
|
| MolPort-005-621-359 |
0.64 |
ClC1=CC2=NC=CC(OC3=CC=C4OCOC4=C3)=C2C=C1
|
|
| MCULE-8019828658 |
0.64 |
[N+]1(CCC)=CC=CC2C=C(OC)C=CC1=2.[I-]
|
|
| MCULE-9251704085 |
0.64 |
O=C(OC1C2C=CNC=2C=CC=1)OC(C)(C)C
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0.64 |
C12C=NC=CC1=C(Br)C(OC)=C1OCOC1=2
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N1(C)C(=O)C(=O)C2C=C3OCOC3=C3C4C=CC=CC=4C=C1C3=2
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C12=CC3OCOC=3C=C1NC=C(Br)C2=O
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ClC1=CC2=C(C(=CC=N2)OC2=CC3=C(OCO3)C=C2)C=C1
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N1=CC(N)=CC2=CC(OC)=CC=C21.Cl
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COC1=CC2=C(N=CC(N)=C2)C=C1.[H]Cl.[H]Cl
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NC1C(OC)=CC2C=CNC=2C=1
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FC(OC1C=C2C(N=CC=C2)=CC=1)(F)F
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[H]Cl.C1(N)=CC(OC)=CC2C=CC=NC1=2
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C12C=NC=CC1=CC=CC=2OC
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C12=C(C=CC=N1)C=CC(OC)=C2
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COC1=C2C(N=CC=C2)=CC=C1
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Cl.Cl.COC1=CC=C2N=CC(N)=CC2=C1
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COC1=CC2=[N+]3C=CC=CC3=CC=C2C=C1
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COC1=CC2=CC=C(N)N=C2C=C1OC
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COC1=C(OC)C2=C(C=C1)C1=C(N(C)C2=O)C2=C(C=C1)C=C1OCOC1=C2
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C12C3C=CN=CC=3NC=1C=CC(OC)=C2
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C12=CC=CC(OC)=C1C=CN=C2S
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C12C=NC=CC1=C(Br)C1OCOC=1C=2OC
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C1=CC2C3C=CC4C=C5OCOC5=CC=4C=3N(C)C(=O)C=2C(OC)=C1OC
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NC1C2NC=CC=2C=C(OC)C=1
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OCCOC1=CC2=C(NC=C2)C=C1
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FC(OC1=CC2=C(NC=C2)C=C1)F
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COC1=CC2=CN=CC=C2C=C1I
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C(F)(F)(F)OC1C=CC2=C(C=CN2)C=1
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C1(O)=C(OC)C=CC2=CC=CN=C12
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N1(CCC)C2C=CC=CC=2C2=CC(OC)=CC=C21
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C12NC=CC1=C(OC)C=C(OC)C=2
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C12=CC(OCC)=CC=C1N=CC=C2O
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CCOC1=CC2=C(O)C=CN=C2C=C1
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COC1=CC(N)=C2NC=CC2=C1
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CN1C(=O)C2=C(C=CC3=C2OCO3)C2=C1C1=C(C=C2)C=C2OCOC2=C1
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COC1=CC2=CC=NC=C2C=C1OCCOC1=CC=CC=C1
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COC1=C(O)C=C2N=CC=C(Cl)C2=C1
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N1(C=CC=C1)C1=CC=C2C(OCO2)=C1 |
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COC1=CC=C2NC3=CC=C(OC)C=C3C(=S)C2=C1
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OC1=CC=C2N=CC=CC2=C1
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OC1=CC=CC2=CN=CC=C12
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OC1=CC2=CN=CC=C2C=C1
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C1C=C2C(N=CC=C2O)=CC=1OC
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Cl.N1C2C(=CC=C(OC)C=2)C=CC=1
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C12C(=CC=NC1=CC(OC)=C(OC)C=2)OC1=CC=C(C=C1)N
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|
| MCULE-2808796177 |
0.62 |
C12C(Cl)=CC=NC1=CC(O)=C(OC)C=2
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|
| MCULE-2477011520 |
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N1C2=CC3OCOC=3C=C2C=C(Br)C1=O
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0.62 |
COC1=C(OCCOC2=CC=CC=C2)C=C2C(C=CN=C2)=C1
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|
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0.62 |
C1C=C2C3C=CC4C=C5OCOC5=CC=4C=3N(C)C(=O)C2=C2OCOC=12
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|
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0.62 |
C1(=S)C2C=C(OC)C=CC=2NC2C=CC(OC)=CC1=2
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|
| MCULE-2154467487 |
0.62 |
OC1=C(O)C2=C(N=CC=C2)C=C1
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OC1=CC2=C(C=CN=C2)C=C1
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C12C=CN=CC1=CC=CC=2O
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OC1=CC2=C(N=CC=C2)C=C1
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N1C=C2C=C3C=CC=CC3=C(O)C2=C2C=CC=CC=12
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COC1C=C2C(N(C=C2)C)=CC=1OC
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N1=C2C=CC=CC2=C(C2C=CC=CC=21)OC
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N1C2C(=CC=CC=2)C(OC)=CC=1
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|
| MCULE-4270839169 |
0.62 |
C12=CC3OCOC=3C=C1C(=CC(C)=N2)Cl
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|
| MCULE-1843365235 |
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C12C=C3OCOC3=CC=1C(O)=CC(=O)N2CC
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|
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Cl.Cl.C1NC2C(=CC(OC)=CC=2N)C=1
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|
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C12=CC(OC)=CC=C1N=CC=C2Cl
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CCCOC1=CC2=C(NC=C2)C=C1
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C12C=C(OC)C=CC1=NC1=C(C=CC=C1)C=2Cl
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|
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C12=CC(OCC)=CC=C1N=CC=C2N
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|
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COC1=C(N)C2=C(NC=C2)C=C1
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NC1=C2C(C=CC(=C2)OC2=CC=CC=C2)=NC=C1
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N1C2C(=C(C=CC=2)OC2C=CC=CC=2)C=C1
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|
| MCULE-4552310688 |
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C1(=O)C2=CC=CC=C2NC2C=CC(OC)=CC1=2
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Cl.Cl.NC1C=CC(OC2=CC=NC3C2=CC(OC)=C(OC)C=3)=CC=1
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|
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C12C(C=CN=C1Cl)=CC(=C(OC)C=2)OC
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COC1=C2C=CC=CC2=NC2=CC=CC=C12
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COC1=C2C=CC=CC2=NC=C1
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CCN1C(=O)C=C(O)C2=CC3=C(OCO3)C=C12
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CC1=CC(Cl)=C2C=C3OCOC3=CC2=N1
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COC1=CC=C2N=CC=C(Cl)C2=C1
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COC1=CC2=C(Cl)C3=CC=CC=C3N=C2C=C1
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Cl.COC1=CC=C2NC(N)=CC2=C1
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COC1=CC2=CN=CC=C2C=C1F
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COC1=CC=C2NC3=CC=CC=C3C(=O)C2=C1
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CC(C)COC1=CC=C2NC=CC2=C1
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CCOC1=CC2=C(N)C=CN=C2C=C1
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CCCOC1=CC=C2NC=CC2=C1
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COC1=CC=C2NC=CC(=O)C2=C1
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NC1=CC=NC2=CC=C(OC3=CC=CC=C3)C=C12
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N1C=CC2=C(OC3=CC=CC=C3)C=CC=C12
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COC1=CC=C2NC=CC2=C1N
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COC1=CC2=CC=NC(Cl)=C2C=C1OC
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COC1=CC=C2N=C(O)C=C(O)C2=C1
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COC1=CC2=C(OC3=CC=C4OCOC4=C3)C=C(C)N=C2C=C1
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Cl.OC1=C(O)C2=CC=CN=C2C=C1
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COC1=C2N=CC(O)=CC2=CC=C1
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COC1C=CC=C2C=1C(=CC=N2)O
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|
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COC1C=C2C(O)=CC=CC2=NC=1
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|
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COC1=CC2=C(N=C(C=C2OC2=CC3=C(OCO3)C=C2)C)C=C1
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|
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0.61 |
Cl.OC1=C(O)C2=C(N=CC=C2)C=C1
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|
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COC1=C2C(C=C(C=N2)O)=CC=C1
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|
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C1(N)=C(Cl)C2=CC3OCOC=3C=C2N=C1Cl
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|
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C12C(C)=NC=CC1=CC(OC)=C(O)C=2
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C12C=C(O)C=CC=1NC=C2
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|
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COC1C=C2NC3C=C(OC)C=CC=3C2=CC=1
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|
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0.61 |
COC1=CC=C2C(NC3=C2C=CC=C3)=C1
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|
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C12C(=CC=C(OC)C=1)C=CN2
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|
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CC(OC1C=CC2N=CC=CC=2C=1)=O
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|
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CCOC1=C2C(NC=C2)=CC=C1
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COC1=CC2=C(N=CC=C2)C(OC)=C1
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|
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C12C(C)=CC=NC=1C=CC(OC)=C2
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|
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N1=C(Cl)C=CC2C=C(OC)C=CC1=2
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|
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C12N=CC=C(OC)C1=CC=C1C(=CC=NC=21)OC
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|
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COCCOC1=CC2=C(NC=C2)C=C1
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|
| MCULE-5190623015 |
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COC1C=CC2C=C(N=CC=2C=1)Cl
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|
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C=CCOC1C=CC2NC=CC=2C=1
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|
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N1=CC(Br)=CC2=CC(OC)=CC=C21
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|
| MCULE-8130038555 |
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N1=CC(OC)=CC2C=C(N)C=CC=21
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|
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N1C2C(=CC(OC)=C(OC)C=2)C=C(Br)C=1
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|
| MCULE-2252574649 |
0.61 |
C12C(C)=NC=CC=1C=C(OC)C(OC)=C2
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|
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[N+]12=CC=C3C(C=C(C(OC)=C3)OC)=C1C=C1C=C(OC)C(OC)=CC1=C2C
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|
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C1(C=C2C(N=CC=C2O)=CC=1OCC)OCC
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|
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0.61 |
O=C1NC=CC2C=C(OC)C(OC)=CC=21
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|
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0.61 |
[Cl-].[NH+]1=C2C=CC=CC2=C(C2=CC=CC=C21)NC1=CC=C2C(OCO2)=C1
|
|
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0.61 |
C1(NC2=CC=C3C(OCO3)=C2)C2C=CC=CC=2N=C2C=CC=CC=12
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|
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OC1=CC=C2NC=CC2=C1
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Br.OC1=CC2=CN=CC=C2C=C1
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COC1=CC=C2C=CNC2=C1
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COC1=CC2=C(C=C1)C1=C(N2)C=C(OC)C=C1
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COC1=CC2=C(C=C1)C1=C(N2)C=CC=C1
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COCCOC1=CC=C2NC=CC2=C1
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COC1=C2C=C(O)C=NC2=CC=C1
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CCOC1=C2C=CNC2=CC=C1
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COC1=CC=NC2=C1C=CC1=C2N=CC=C1OC
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C=CCOC1=CC=C2NC=CC2=C1
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COC1=CC2=CC=CN=C2C(OC)=C1
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COC1=CC=C2N=CC(Br)=CC2=C1
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COC1=CC=C2N=C(Cl)C=CC2=C1
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COC1=CC2=C(C)C=CN=C2C=C1
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COC1=CC2=CC3=[N+](C=CC4=C3C=C(OC)C(OC)=C4)C(C)=C2C=C1OC
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COC1=C(OC)C=C2C(=O)NC=CC2=C1
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COC1=CC2=CC(Br)=CN=C2C=C1OC
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[Cl-].C1OC2=CC=C(NC3=C4C=CC=CC4=[NH+]C4=CC=CC=C34)C=C2O1
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C1OC2=CC=C(NC3=C4C=CC=CC4=NC4=CC=CC=C34)C=C2O1
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Cl.C1OC2=CC=C(NC3=C4C=CC=CC4=NC4=CC=CC=C34)C=C2O1
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COC1=CC2=CC=NC(N)=C2C=C1
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COC1=CC(C)=C2NC=CC2=C1
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OC1=NC2=CC=C(OC(F)(F)F)C=C2C=C1
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COC1=C(O)C=C2C(=O)NC3=CC4=C(C=CC=C4)C1=C23
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|
| MolPort-028-765-449 |
0.60 |
C1OC2=CC3=CNN=C3C=C2O1
|
|
| MolPort-001-769-585 |
0.60 |
OC1=CC2=CC=NC=C2C=C1
|
|
| MolPort-028-949-372 |
0.60 |
C1OC2=C(O1)C=C1C=NNC1=C2
|
|
| MCULE-7913801429 |
0.60 |
C12=CC=C(C=C1C=CN=C2N)OC
|
|
| MCULE-2206939709 |
0.60 |
C1C2=C(C=C(OC)C=C2)C=C(N)N=1
|
|
| MCULE-6102062671 |
0.60 |
OC1=NC2=C(C=C(C=C2)OC(F)(F)F)C=C1
|
|
| MCULE-3890072705 |
0.60 |
COC1C=C(C)C2NC=CC=2C=1
|
|
| MCULE-7039210597 |
0.60 |
C12C(=S)C=CNC1=CC(OC)=C(OC)C=2
|
|
| MCULE-1550735877 |
0.60 |
N1=C(Cl)C=NC2=CC3=C(OCO3)C=C12
|
|
| MCULE-8274249120 |
0.60 |
OC1C=C2C(C=NC=C2)=CC=1
|
|
| MCULE-3875872113 |
0.60 |
O1COC2=CC3C=CC=CC=3C=C12
|
|
| MCULE-6511307846 |
0.60 |
C1(O)C=C2C(=O)NC3C2=C(C2C=CC=CC=2C=3)C=1OC
|
|
| MCULE-5646687348 |
0.60 |
C1OC2=C3C(=CC=C2O1)NN=C3
|
|
| MCULE-7172181516 |
0.60 |
N1C2=C(C=C3OCOC3=C2)C=NC1=O
|
|
| MCULE-6791422619 |
0.60 |
C1OC2C(=CC3C(C=2)=NNC=3)O1
|
|
| MCULE-7642330630 |
0.60 |
N1C(Cl)=CC2C(=CC(=C(OC)C=2)OC)C=1Cl
|
|
| MCULE-9967846569 |
0.60 |
COC1C(OC)=CC2C(=NC=CC=2Cl)C=1
|
|
| MCULE-3646057945 |
0.60 |
C12C(=CC=NC1=CC(OC)=C(OC)C=2)OC1C=CC=C(N)C=1
|
|
| MCULE-7640456712 |
0.60 |
COC1=C(OC)C=C2C(NC=CC2=O)=C1
|
|
| MCULE-2504366239 |
0.60 |
COC1=C(OC)C=C2C(C=CN=C2F)=C1
|
|
| MCULE-7044903772 |
0.60 |
C(C1OCCO1)OC1=CC2=C(NC=C2)C=C1
|
|
| MCULE-4271694490 |
0.60 |
[Cl-].[N+]12C=CC3=C(C=C(C(OC)=C3)OC)C1=CC1C=C(OC)C(OC)=CC=1C=2C
|
|
| MCULE-3650559886 |
0.60 |
C12N=CC=CC1=CC(OC)=CC=2Br
|
|
| MCULE-5340411185 |
0.60 |
COC1=C(C)C=C2C(C=CC=N2)=C1
|
|
| MCULE-4058004655 |
0.60 |
N1C(C)=CC=C2C=C(OC)C=CC=12
|
|
| MCULE-4995976057 |
0.60 |
C12C=C(OCC)C=CC1=NC1=C(C=CC(N)=C1)C=2N
|
|
| MCULE-5552922732 |
0.60 |
C12C=CNC1=CC=C(OC(=O)C)C=2
|
|
| MCULE-1959754182 |
0.60 |
CCOC1=CC=C(OCCOC2=CC3=C(N=CC=C3)C=C2)C=C1
|
|
| MCULE-7428686609 |
0.60 |
C12C=C(OC)C=CC1=NC1C(=CC=C(Cl)C=1)C=2Cl
|
|
| MCULE-2963299477 |
0.60 |
COC1=CC2=C(NC=C2)C(OC)=C1
|
|
| MCULE-8929936318 |
0.60 |
FCCOC1=CC2=C(NC=C2)C=C1
|
|
| MCULE-9407461792 |
0.60 |
COC1C=C2C(N=CC=C2)=C(Cl)C=1
|
|
| MCULE-1235013716 |
0.60 |
N1(CCCN)C=CC2=CC(=CC=C12)OC
|
|
| MCULE-2767201221 |
0.60 |
N1=CC2C=CC(OC)=CC=2C=C1Cl
|
|
| MCULE-8115623013 |
0.60 |
C1(Cl)C2=C(C=C(OC)C=C2)C=CN=1
|
|
| MCULE-4455027627 |
0.60 |
Cl.C12C(C)=CC=NC=1C=CC(OC)=C2
|
|
| MCULE-6740455692 |
0.60 |
C1(OC)C2C(=O)C3C=CC=CC=3C3=CNC(C3=2)=CC=1
|
|
| MCULE-3107492264 |
0.60 |
N1C2C(=CC(OC)=CC=2)C(Br)=CC=1
|
|
| MCULE-1699000838 |
0.60 |
N1C2=CC=C(C=C2C=CC1=O)OC
|
|
| MCULE-9882581991 |
0.60 |
N1=CC(N)=CC2C=C(OC(C)C)C=CC=21
|
|
| MCULE-3000218211 |
0.60 |
C12C3=CC=CC=C3C3C(=CC=CC=3)C1=NC1=CC=C(OC)C=C1N=2
|
|
| MCULE-5785260048 |
0.60 |
C12=CC(OC)=CC=C1N=CC=C2OC1C=CC(=CC=1)N
|
|
| MCULE-2006702493 |
0.60 |
COC1=C(Cl)C=C2C(C=CN2)=C1
|
|
| MCULE-1223308660 |
0.60 |
C12C(=CC=CC=1N(C=C2)C)OC
|
|
| MCULE-5122434386 |
0.60 |
N1(CCN)C=CC2C=C(OC)C=CC1=2
|
|
| MCULE-8502906933 |
0.60 |
C1C=CC2=CN=C3C(OC)=CC=CC3=C2C=1
|
|
| MCULE-6105207847 |
0.60 |
C1C=CC2=NC3=C(OC)C=CC=C3C=C2C=1
|
|
| MCULE-9285159400 |
0.60 |
COC1=C2C(C=CC=N2)=CC=C1
|
|
| MCULE-4838589183 |
0.60 |
C12OCOC=1C=CC(N)=C2
|
|
