SMILES
stringlengths 4
93
| ZINC_ID
stringlengths 16
16
|
|---|---|
CN(C)Cc1ccnc(NC(=O)NCCO)c1
|
ZINCh8000000ai2V
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CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2CCC[C@@H]21
|
ZINCh8000000ai3E
|
CN(C)S(=O)(=O)Cc1noc(C(C)(C)C#N)n1
|
ZINCh8000000ai5s
|
CN(C)[C@](C)(CC(=O)N1CCC(=O)N1)C(F)F
|
ZINCh8000000aie9
|
CN(C)c1ccnc(N2CCO[C@H](C#N)C2)n1
|
ZINCh8000000aiiM
|
CN(C)c1cncc(C(=O)N[C@H]2CCNC2)c1
|
ZINCh8000000aijz
|
CN(C1(CO)CC1)S(=O)(=O)c1ncn(C)c1Cl
|
ZINCh8000000ain8
|
CN(C1CC1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)O
|
ZINCh8000000ainL
|
CN(C1CC1)S(=O)(=O)N1CCC[C@H]1CC(=O)O
|
ZINCh8000000ainM
|
CN(C1CCC1)S(=O)(=O)NCCc1cc[nH]n1
|
ZINCh8000000aioW
|
CN(CC(=O)N1CC2CCC1CC2)S(C)(=O)=O
|
ZINCh8000000airL
|
CN(CC(=O)NC1CC1)[C@@H]1CC(C)(C)OC1=O
|
ZINCh8000000aiu6
|
CN(CC(=O)NCC(F)(F)F)C[C@H]1CCNC1
|
ZINCh8000000aiup
|
CN(CC(=O)NCC1(F)CCCC1)S(C)(=O)=O
|
ZINCh8000000aiut
|
CN(CC(=O)NCCn1ncc(Br)n1)C1CC1
|
ZINCh8000000aiuZ
|
CN(CC(C)(C)CN)C(=O)C(=O)NCC=CCl
|
ZINCh8000000aiy7
|
CN(CC(C)(C)CO)C(=O)N=c1ncn(C)[nH]1
|
ZINCh8000000aiyG
|
CN(CC(F)(F)CO)C(=O)C1=C(F)CNCC1
|
ZINCh8000000aiAK
|
CN(CC(N)=O)C(=O)[C@H](O)c1ccccc1I
|
ZINCh8000000aiDn
|
CN(CC(N)=O)C(=O)c1conc1C(F)(F)F
|
ZINCh8000000aiDS
|
CN(CC(N)=O)C[C@H]1COc2ccccc2O1
|
ZINCh8000000aiE4
|
CN(CC1(O)CCCC1)C(=O)NCCCON
|
ZINCh8000000aiGd
|
CN(CCC(=O)O)S(=O)(=O)CC[C@@H]1CCCO1
|
ZINCh8000000aiMZ
|
CN(CCC(N)=O)C(=O)CC[C@@H]1CCCCN1
|
ZINCh8000000aiNA
|
CN(CCCCS(N)(=O)=O)[C@H]1CCC[C@@H](N)C1
|
ZINCh8000000aiSt
|
CN(CCCS(C)(=O)=O)c1nccc(C#N)n1
|
ZINCh8000000aiWg
|
CN(CCN)C(=O)CCNC(=O)c1ccsc1
|
ZINCh8000000aiY1
|
CN(CCN1C(=O)CNC1=O)CC1CC(F)C1
|
ZINCh8000000aiZy
|
CN(CCNC(=O)[C@]1(F)CCCNC1)C1CC1
|
ZINCh8000000aj3b
|
CN(CCO)C(=O)C(=O)Nc1cccnc1Br
|
ZINCh8000000aj4C
|
CN(CCO)C(=O)N[C@H]1C[C@H]2CCCCN2C1
|
ZINCh8000000aj5u
|
CN(CCO)C(=O)Nc1ccc([S@](C)=O)cn1
|
ZINCh8000000aj5x
|
CN(CCO)C(=O)[C@H]1CCCc2c1ncn2C
|
ZINCh8000000aj5I
|
CN(CC[C@@H]1CCCC(=O)O1)[C@@H]1CCNC1=O
|
ZINCh8000000ajcy
|
CN(CCc1cnc[nH]1)C(=O)c1ns[nH]c1=O
|
ZINCh8000000ajef
|
CN(CCc1cnccn1)C(=O)[C@@H](O)C1CC1
|
ZINCh8000000ajel
|
CN(CCc1ncccn1)C(=O)C1=NOCC1
|
ZINCh8000000ajeQ
|
CN(CCn1ccnc1)C(=O)c1c[nH]c(=N)o1
|
ZINCh8000000ajgY
|
CN(C[C@@H](O)C1CC1)S(=O)(=O)Cc1ccon1
|
ZINCh8000000ajit
|
CN(C[C@@H]1CCC(=O)N1)C(=O)[C@H]1CCCCO1
|
ZINCh8000000ajkY
|
CN(C[C@@H]1COCCN1)C(=O)[C@H]1CSCCS1
|
ZINCh8000000ajoC
|
CN(C[C@@]1(C)CCCO1)C(=O)[C@H]1CCS1(=O)=O
|
ZINCh8000000ajqa
|
CN(C[C@H](O)[C@@H]1CCOC1)C1CCS(=O)CC1
|
ZINCh8000000aju6
|
CN(C[C@H](O)c1ccccn1)[C@H]1[C@@H]2CNC[C@@H]21
|
ZINCh8000000ajuj
|
CN(C[C@H]1CCCO1)C(=O)CC(=O)NC1CC1
|
ZINCh8000000ajvt
|
CN(Cc1ccccn1)C(=O)[C@H]1CCS1(=O)=O
|
ZINCh8000000ajBq
|
CN(Cc1cn(C)nn1)C(=O)[C@H]1CCCOC1
|
ZINCh8000000ajEo
|
CN(Cc1cnc[nH]1)C(=O)Nc1cn(C)nn1
|
ZINCh8000000ajFj
|
CN(Cc1cnn(C)c1)C[C@H](O)[C@@H]1CCOC1
|
ZINCh8000000ajGX
|
CN(Cc1nc(C2CC2)no1)[C@@H]1CCNC1=O
|
ZINCh8000000ajI1
|
CN(Cc1nc[nH]n1)C(=O)Cn1cc(I)cn1
|
ZINCh8000000ajIR
|
CN(Cc1nc[nH]n1)C(=O)[C@H]1CCC[C@@H](N)C1
|
ZINCh8000000ajJd
|
CN(Cc1nc[nH]n1)S(=O)(=O)N(C)C(C)(C)C
|
ZINCh8000000ajJs
|
CN(NC(=O)c1ccnc2c1CCC2)C(N)=O
|
ZINCh8000000ajQa
|
CN(O)C(=O)CNC[C@H](O)c1cccc(F)c1
|
ZINCh8000000ajRA
|
CN([C@]1(C)CCOC1)S(=O)(=O)c1cnn(C)c1
|
ZINCh8000000ajTF
|
CN(c1nccn(C)c1=O)[C@@H](CCO)C(F)F
|
ZINCh8000000ajUJ
|
CN1C(=O)CCC[C@@H]1C(=O)OCCC[N+](=O)[O-]
|
ZINCh8000000ajVA
|
CN1C(=O)CN=C1NC(=O)[C@H]1C(C)(C)C1(F)F
|
ZINCh8000000ak0n
|
CN1C(=O)CN=C1NC(=O)[C@H]1C[C@@]1(C)C(F)F
|
ZINCh8000000ak0o
|
CN1C(=O)C[C@@H](NC(=O)c2c[nH]cc2Br)C1=O
|
ZINCh8000000ak1a
|
CN1C(=O)NCC12CN(Cc1ccn(C)c1)C2
|
ZINCh8000000ak2g
|
CN1C(N[C@H]2C[C@H](S(C)(=O)=O)C2)=NCC1(C)C
|
ZINCh8000000ak5v
|
CN1CC(=O)N[C@@H]1c1ncc(C2OCCO2)s1
|
ZINCh8000000ak66
|
CN1CCCCN=C1N1C[C@@H]2OC(=O)O[C@@H]2C1
|
ZINCh8000000akdi
|
CN1CCCC[C@H]1CNC(=O)[C@]1(F)CCNC1
|
ZINCh8000000akfF
|
CN1CCCN(C[C@@H](O)CC2(O)CCC2)CC1
|
ZINCh8000000akh7
|
CN1CCC[C@@H](CNS(=O)(=O)N2CCCC2)C1
|
ZINCh8000000akji
|
CN1CCC[C@@H](NC(=O)N2CCC[C@H]2CN)C1
|
ZINCh8000000akk3
|
CN1CCC[C@H](NC(=O)CCCCCO)C1=O
|
ZINCh8000000akpx
|
CN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H](N)[C@H]2C1
|
ZINCh8000000akqZ
|
CN1CCN(C(=O)C2(C)CC(C#N)C2)CC1=O
|
ZINCh8000000aktt
|
CN1CCN(C(=O)[C@H](N)CC(C)(F)F)[C@H]2C[C@@H]21
|
ZINCh8000000akAy
|
CN1CCN(C(=O)c2cnc3n2CCC3)CC1
|
ZINCh8000000akC9
|
CN1CCN(C(=O)c2coc(CN)c2)[C@@H]2C[C@@H]21
|
ZINCh8000000akCf
|
CN1CCN(C)C1=NCC[C@](C)(O)C(F)(F)F
|
ZINCh8000000akCy
|
CN1CCN(C)CC(N=c2cnc(F)c[nH]2)C1
|
ZINCh8000000akCT
|
CN1CCN(CCNC(=O)C2(F)CCC2)CC1
|
ZINCh8000000akEU
|
CN1CCN(Cc2nc(C(=O)O)co2)[C@@H]2C[C@@H]21
|
ZINCh8000000akHf
|
CN1CCN(c2ncnc3[nH]ccc23)CC1=O
|
ZINCh8000000akJ4
|
CN1CCNC[C@H]1C(=O)N1CCC[C@@](C)(F)C1
|
ZINCh8000000akKB
|
CN1CCO[C@@H](CNCc2ccc(O)nc2)C1
|
ZINCh8000000akOd
|
CN1CCO[C@H](CNCc2ncccc2O)C1
|
ZINCh8000000akPk
|
CN1CC[C@@H](CC(=O)N2CSC[C@H]2C#N)C1=O
|
ZINCh8000000akQZ
|
CN1CC[C@@H](Cn2ccnc2CCCO)C1=O
|
ZINCh8000000akSF
|
CN1CC[C@@H]1CNC(=O)N1CC2(CCCO2)C1
|
ZINCh8000000akVF
|
CN1CC[C@H](CC(=O)NCC2(C#N)CC2)C1=O
|
ZINCh8000000al0R
|
CN1CC[C@H](CC(=O)Nc2nccn2C)C1=O
|
ZINCh8000000al1k
|
CN1CC[C@](O)(CNC(=O)C#CC(C)(C)C)C1
|
ZINCh8000000al8G
|
CN1C[C@@H](CN(C)C2CCS(=O)CC2)OC1=O
|
ZINCh8000000aldv
|
CN1C[C@@H](O)C[C@H]1CNC(=O)C1CC(F)(F)C1
|
ZINCh8000000alhI
|
CN1C[C@@H](c2nc(C[S@](C)=O)no2)CCC1=O
|
ZINCh8000000alix
|
CN1C[C@H](O)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1
|
ZINCh8000000alq6
|
CN1[C@@H](CNC(=O)C2=CCCC2)CCS1(=O)=O
|
ZINCh8000000alt6
|
CN1[C@H](CNC(=O)OC2CCC2)CCS1(=O)=O
|
ZINCh8000000altu
|
CN=c1[nH]c(C(=O)NCc2cn(C)nn2)cs1
|
ZINCh8000000alv6
|
CN=c1cc[nH]c(C(=O)N[C@H]2COC[C@@H]2C)n1
|
ZINCh8000000alxp
|
CNC(=O)C(=O)N1CCC(OC2CCC2)CC1
|
ZINCh8000000alyQ
|
CNC(=O)C(C)(C)CNC(=O)CSCCOC
|
ZINCh8000000alAr
|
CNC(=O)C(C)(C)CNC(=O)C[C@H](O)C(C)C
|
ZINCh8000000alAv
|