SELFIE
stringlengths 3
558
| SMILES
stringlengths 1
101
|
|---|---|
[N][=C][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][#Branch1][Ring1][#Branch2]
|
N=C1N(CCCCc2ccccc2)CC2Cc3ccccc3CN12
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#C]
|
CC(=O)N1CCN(CC(C)NC(=O)c2cc(-c3nccs3)cc(-c3ccc(C)cc3F)c2)CC1
|
[C][O][C][C][C][O][C][=C][C][Branch2][Branch1][=N][C][C][Branch2][Branch1][Ring1][C][C][Branch1][C][N][C][Branch1][C][O][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring2][Branch2][O][C]
|
COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)CNC(=O)c2ccc(OC)cc2)C(C)C)C(C)C)ccc1OC
|
[N][=C][Branch1][C][N][N][C][C][C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
N=C(N)NCCCC(CN1CCCCC1)NC(=O)C(N)Cc1ccc(F)cc1
|
[C][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O][C][C][O][C][=C][Ring2][Ring1][#Branch2]
|
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2OCCO)cc1
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
|
[C][C][C][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][C][Ring1][S][O][N][=Ring2][Ring1][=Branch1]
|
Cc1cc(CN2CCN(C(=O)C3(C#N)CCCCC3)CC2)on1
|
[C][C][=N][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=N][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Ring1][=C]
|
Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12
|
[C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][O]
|
CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cccs2)cc1
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][S][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][C][=Ring1][=C][C][Ring2][Ring1][O][=O]
|
CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C)c2c1=O
|
[C][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=C][N][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2]
|
CCC(CO)Nc1nc(Cc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][O][C][C][O][C][=C][Ring1][N][F]
|
O=c1[nH]c(=O)n(COCCO)cc1F
|
[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][=C][O][C][=Ring1][=Branch1][C][Branch1][C][O][C][Ring1][N][C][Ring1][P]
|
CC=C(C)C(=O)OC1CC(C)C2(C)Cc3c(C)coc3C(O)C2C1
|
[C][O][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
COc1ncc(C(=O)NC(CC(=O)O)c2ccccc2C)cc1-c1ccccc1F
|
[C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
|
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
|
[C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][Branch1][C][O][=C][Ring1][S]
|
CCCCCCC(C)(C)c1ccc(-c2cccc(C(=O)O)c2)c(O)c1
|
[O][=C][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][Ring2][Ring1][Ring2]
|
O=C1CCCc2nc3ccccc3c(-c3ccccc3)c21
|
[C][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][=C][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C]
|
CCCCCC=CCC=CCC=CC=CC1CCCC(=O)N1C
|
[C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=Ring1][O]
|
CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
|
[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S][NH1][N][=Ring2][Ring1][Branch1]
|
CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH]n1
|
[O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1]
|
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccs1
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C]
|
CC(C)Oc1cc2c(cc1NC(=O)c1ccncc1)n(C)c(=O)n2C
|
[C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][C][C][Ring1][=Branch1][=O]
|
Cc1nc2ccc(Br)cc2c2c1C(=O)CC2=O
|
[O][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
O=c1cc(N2CCNCC2)oc2ccccc12
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
Cc1n[nH]cc1Nc1ccccc1C(C)C
|
[N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][P]
|
N=C(N)c1cccc(NC(=O)c2ccc3c(c2)CN(CCc2ccccc2)C(=O)C(CC(=O)O)N3)c1
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2]
|
COc1cc2c(cc1NC(=O)COC(=O)C=Cc1ccccc1)oc1ccccc12
|
[O][=C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]
|
O=C(COC(=O)c1ccc(F)cc1F)Nc1cccnc1Cl
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][=Branch1][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch2][=O]
|
COC(=O)C=Cc1cc(OC)c2c(c1OC)C(=O)C=CC2=O
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C]
|
CCN(CC)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
|
[C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][N][C][C][C][N]
|
CCCCCC(=O)NCCCNCCCCNCCCN
|
[C][O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch2][C][#C][C][C][C][Ring1][Ring1][C][=C][Ring1][O][C][Ring1][S][N][=C][Branch1][C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring1][N]
|
COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)c2ccc(C#N)cc21
|
[N][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][O]
|
Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cn1
|
[C][N][C][C][C][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][O][Ring1][#Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1]
|
CN1CCC2CC(O)C3OC(=O)c4c(cc5c(c4O)OCO5)C3C21
|
[C][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][N]
|
Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c(C)c1
|
[N][C][S][C][=C][Branch2][Ring1][#C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][S][C][=Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
Nc1scc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1
|
[C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][=C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][=N][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
|
CC(=O)NCCNC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1]
|
COc1ccc(-c2cc3ccc(OCc4ccccc4)cc3o2)cc1
|
[C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][=N][N][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
Cc1cc(NC(=O)c2cc(-c3ccco3)on2)nn1Cc1ccc(Cl)cc1
|
[N][#C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Branch2][N]
|
N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1N
|
[O][=C][Branch1][C][O][C][C][C][C][C][Branch2][Branch1][#Branch1][C][C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][=N][Ring2][Ring1][=Branch2][N][S][Ring2][Ring1][P][=Branch1][C][=O][=O]
|
O=C(O)CC1CC2C(CCC3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c4c(F)ccc(F)c4OCC23)NS1(=O)=O
|
[Cl][C][=C][C][=C][Branch2][Ring1][N][N][C][C][N][Branch1][P][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1
|
[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][Ring1][=N][=C][Ring1][P][=C][Ring2][Ring1][=C]
|
CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2ccc3cc(C(F)(F)P(=O)(O)O)ccc3c2)c1
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][Ring1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring2][C]
|
COc1ccc(CC(=O)C2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)C2C2CCCCC2)cc1
|
[C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][S][=N][O][Ring2][Ring1][Branch2]
|
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)no1
|
[C][C][Branch1][C][C][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=C]
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CC1(C)CC(NC(=O)c2cccc(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC(C)(C)N1
|
[C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
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Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2
|
[C][C][C][=N][C][=N][C][Branch2][Ring2][=Branch1][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2][C][#C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1]
|
CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(CC3)COC4)c(F)c2)c1C#Cc1ccc(N)nc1
|
[C][C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O]
|
CC(C)C(NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O
|
[C][C][C][=N][NH1][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][Ring1]
|
CCc1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][S][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
COc1ccccc1N=C(S)N(Cc1ccc(C)cc1)Cc1ccccn1
|
[O][=C][Branch2][Ring1][=N][C][C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][P][N][C][C][C][C][O][Ring1][=Branch1]
|
O=C(C1CCC2C(CCN2Cc2cccc(F)c2)O1)N1CCCCO1
|
[N][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
NCCCCOc1ccc(S(N)(=O)=O)cc1
|
[C][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][S][S][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][S+1][Branch1][C][C][O-1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][#C][O]
|
CCC(C)C1NC(=O)C2CSSCCC=CC(CC(=O)NC(CC[S+](C)[O-])C(=O)N2)OC(=O)CC1O
|
[C][N][C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Ring1][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=O]
|
CN1Cc2c(C(=O)OCC3CC3)ncn2-c2ccc(Cl)cc2C1=O
|
[O][=C][Branch2][Ring2][=Branch1][N][C][C][C][C][Branch2][Ring1][=Branch2][C][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][=Branch1][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=Ring2][Ring1][Ring2]
|
O=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2Cl)n1
|
[C][C][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O]
|
Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1ccc(C)c(S(C)(=O)=O)c1
|
[C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][N][Ring1][=Branch1][C][=C][N][Ring1][#C][C][=C][N][Ring2][Ring1][Branch2][C]
|
CNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cn1C
|
[C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][O][C][=Branch2][Ring1][=C][=C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1]
|
CCC(OCc1ccccc1)C(=O)OCOC(=C1C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C]
|
COc1ccc(C(O)Cc2ccc3ccccc3n2)cc1OC
|
[C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][Branch2]
|
CCOC(=O)Cn1cnc([N+](=O)[O-])n1
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Branch1][C][O-1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
Cc1ccc(C2=Nc3ccccc3[S+]([O-])C(c3ccc4c(c3)OCO4)C2)cc1
|
[O][=C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1]
|
O=C(NCC1CCOCC1)c1cnc(Nc2cccc(OC(F)(F)F)c2)cc1C1CC1
|
[C][=C][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][Ring1][=C][C][C][=Branch1][C][=O][C][Ring2][Ring1][O][Ring2][Ring1][Branch1][C]
|
C=C1C(=O)OC2C1CCC(C)C1(O)C(n3cc(COc4ccc(C)cc4)nn3)CC(=O)C21C
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
COC(=O)c1ccc2[nH]c(C(=O)NC3Cc4ccccc4N(C)C3=O)cc2c1
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
COc1ccc(C2=Nc3cc(C)c(C)cc3NC(c3ccccc3)C2)cc1
|
[C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch2][Ring1][S][=C][Ring1][=Branch1][C][=Branch2][Ring1][Branch1][=C][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring2][Ring1][=Branch1][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch2]
|
COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1oc(C)cc1C(=O)N(C)C)O2)C(C)=CC(C)(C)N3
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][S][C][N][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2]
|
COc1cccc(-c2ccc(O)c(CNCCc3cccc(F)c3)c2)n1
|
[C][C][Branch1][C][C][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Branch2][Ring1][C][C][#C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][O]
|
CC1(C)CC=C(c2cccs2)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21
|
[C][O][C][=C][C][=Branch2][Ring1][P][=C][C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=Ring1][O][C][Ring2][Ring1][Ring2][=Ring1][S][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2]
|
COc1c2c(cc3oc(=O)c4c5cc(O)c(O)cc5oc4c13)OC(C)(C)C=C2
|
[O][=C][NH1][C][=C][C][=C][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
|
O=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3ccc(N4CCOCC4)cc3)c12
|
[C][C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][=Branch1][C][#N]
|
CCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2OC)c1C#N
|
[N][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][O]
|
N#CCNC(=O)c1ccc2cccnc2c1O
|
[C][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][O][=O]
|
CC(CSc1ccc(Br)cc1)CN1CCC(C(C)(C)C)CCC1=O
|
[C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][Branch2][=C][S][C][=Branch1][C][=S][N][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O][C][Ring1][=C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Branch1]
|
COc1ccc(OC)c(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1
|
[C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][=C][C][C][Ring1][Ring1][Branch1][Ring1][C][O][C][O]
|
CCCNc1nc(N)nc2c1ncn2C=C1CC1(CO)CO
|
[C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Ring2][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2]
|
CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(F)cc2)CC1
|
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1]
|
CCCN(CC1CC1)c1ccc(S(=O)(=O)NCC2CCOCC2)c(C(F)(F)F)c1
|
[C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring2][N+1][=Branch1][C][=O][O-1]
|
Cc1cc(N2CCN(C(=O)c3cccs3)CC2)c(F)cc1[N+](=O)[O-]
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=C][C][C][C][C][=Branch1][C][=O][N][C][C][C][O][C][=N][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1]
|
CCOc1ccc(-c2cc(CCCC(=O)NCCCOC)no2)cc1
|
[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
|
O=C(C=Cc1ccccc1)c1cc2ccccc2o1
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CCN(CC)C(=O)c1[nH]cnc1C(=O)OC(C)c1ccccc1
|
[C][C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]
|
CCCc1nc2c(C)cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1]
|
Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1]
|
CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)OCc2ccc(Cl)cc2)cc1
|
[C][O][C][=C][C][Branch1][=C][C][=N+1][Branch1][C][O-1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
COc1cc(C=[N+]([O-])C(C)(C)C)ccc1OCc1ccccc1
|
[C][C][Branch1][C][O][C][=C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CC(O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CN1C(=O)CN=C(c2ccccc2Cl)c2ccccc21
|
[O][=C][Branch1][C][O][N][C][C][N][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][C][=N][C][=C][C][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Ring1][S][C][=C][Ring2][Ring1][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring2][Branch1]
|
O=C(O)N1CCN(c2ccc(Nc3ccnc4ccc(-c5cnc6ccccc6c5)cc34)cc2C(F)(F)F)CC1
|
[N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C]
|
N=C(N)c1cccc(Cn2c(C(=O)NCc3ccc4ccccc4c3)cc3c(O)cccc32)c1
|
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1]
|
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)o2)cc1
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][N][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=N][S][Ring2][Ring1][=Branch1]
|
CCOC(=O)C(Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2cccnc2)O3)s1
|
[O][=C][Branch2][Ring1][Branch2][O][C][C][C][C][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][=C][Ring1][Branch2][O][Ring1][N][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]
|
O=C(OCCC1CCn2cc([N+](=O)[O-])nc2O1)OCc1cccc(OC(F)(F)F)c1
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C][C][C][C][C][Ring1][Ring2]
|
COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCC1CCC1
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][C][=Branch1][S][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][S+1][Branch1][C][O][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]
|
COc1ccc(-n2nc3c(c2NC(=O)C2CCCC2)C[S+](O)C3)cc1
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][C][C][Ring1][N]
|
CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N][O][C]
|
CCOc1ccc(C=C(C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(F)cc2)cc1OC
|
[C][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][C][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch1][C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N]
|
Cc1ccc(CNC(=O)CC2(CC3=NS(=O)(=O)c4ccccc4N3)CCCC2)cc1
|
[C][S][C][=N][C][Branch1][C][N][=C][N][=C][N][Branch2][Ring1][P][C][O][C][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][O][C][Ring1][S][O][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O]
|
CSc1nc(N)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)c2n1
|
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