SELFIE
stringlengths 3
558
| SMILES
stringlengths 1
101
|
|---|---|
[O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][C][N][C][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C]
|
O=S(=O)(c1ccc2cc[nH]c2c1)N1CCCC1CCN1CCC(Oc2ccc(Cl)cc2)CC1
|
[C][C][C][N][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)C(=O)Cc1ccccc1
|
[C][C][=C][C][=C][O][C][=C][Branch1][=N][C][=C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
Cc1ccc2occ(C=C3SC(=O)NC3=O)c(=O)c2c1
|
[N][#C][C][=C][C][=C][Branch2][Ring1][N][C][=C][N][=C][C][=C][C][Branch1][N][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
N#Cc1ccc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc1
|
[C][C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=C][Branch1][C][C][N][Branch1][C][C][C][=Ring2][Ring1][Branch2][C]
|
CCOC(=O)c1c(S(=O)(=O)NCC(=O)Nc2ccc(C(C)=O)cc2)c(C)n(C)c1C
|
[C][N][C][=N][C][Branch1][C][C][=N][C][Branch2][Ring1][N][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch2]
|
CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC)CC2)n1
|
[O][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][N][C][C][C][=Branch1][C][=S][N][C][C][C][C][Ring1][Branch1]
|
O=c1ccc(-c2ccccc2)nn1CCC(=S)N1CCCC1
|
[C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][N][O][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring1][#C][=C][Ring2][Ring1][Branch2][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][P][Ring2][Ring2][Ring2]
|
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c(OC)cc21
|
[C][=C][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Ring1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]
|
C=CCSc1nc2cc(Cl)c(Cl)cc2n1C1OC(CO)C(O)C1O
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][N][C][C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CNCC(O)C(Cc1ccc(CCC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C
|
[C][C][C][C][C][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][S][C][=Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2]
|
CC1CCc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2C1
|
[C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=N]
|
c1cc(-c2cccc3cccnc23)nc(N2CCN(CCN3CCCC3)CC2)c1
|
[C][C][Branch2][Ring1][O][N][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
|
CC(N=c1c(O)c(O)c1=Nc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1
|
[C][C][O][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=N][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][C]
|
CCOc1cc(CC(=O)O)ccc1-c1ccc(F)c2c1CN(C(=O)OCc1ncc(C)cc1F)CC2
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][=C][C][=C][Ring1][O][O]
|
O=C(O)c1cc(-c2cnco2)ccc1O
|
[C][C][=N][O][C][Branch2][Branch1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][C][=C][Ring1][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][Ring2][C]
|
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(C)(C)C)c1C
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C][=C][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1]
|
CCOC(=O)C(CNC(C)=O)c1cn(C(=O)OCC)c2ccccc12
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][Ring2][Ring1][=Branch1][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][F]
|
Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(C(N)=O)ccc1F
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
COC(=O)c1ccccc1OC(=O)c1ccccc1
|
[C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][S][Ring1][Branch2][=C][Ring2][Ring1][#Branch1]
|
Cc1cccc(Nc2c(-c3cccs3)nc3nc(C)cc(C)n23)c1
|
[C][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][O][=O][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O]
|
CN1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1
|
[N][#C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1
|
[O][=C][C][=C][Branch2][=Branch1][C][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring2][P][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=C][Ring2][Ring1][Branch2][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring2][Branch2]
|
O=c1c2c(oc(O)c1C(c1cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C(F)(F)F)c3)c1)C1CC1)CCCCCC2
|
[C][O][C][C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][C][Branch1][Ring1][O][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][=C][C][Ring2][Ring1][O][C]
|
COC1COC(=O)CC=CC(C)C(OC)COC(=O)C(C)COC(=O)CC=CC1C
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][=C][N][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccc(Cl)cc3)c2c1
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
O=C(NCc1nnc(SCC(=O)N2CCCCC2)o1)c1ccc(F)cc1
|
[C][O][C][=C][C][Branch2][Branch1][Branch1][C][=C][C][=C][N][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=N][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N][=C][C][Branch1][C][Cl][=C][Ring2][Ring2][Ring2][O]
|
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCN(C)CC5)nc4)c3c2)cc(Cl)c1O
|
[C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][N][=O]
|
COc1ccc2c3c(cccc13)C(=O)N(O)C2=O
|
[C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][S+1][Branch1][C][O-1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2]
|
C[S+]([O-])c1ccc(NC(=O)c2cccc([S+]([O-])Cc3ccc(Cl)cc3)c2)cc1
|
[C][C][C][Branch1][Ring1][C][C][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2][N][=N][Ring1][#C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=N]
|
CCC(CC)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)nn3)nc21
|
[C][=C][C][=C][N][=C][C][Branch2][Ring1][=Branch2][C][=N][NH1][C][=C][C][=N][C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][Ring1][=N][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
c1ccc2ncc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc2c1
|
[C][C][C][C][C][C][O][C][Branch1][Branch2][C][Branch1][C][C][=N][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Ring1][#C][Branch1][C][C][O]
|
CCCCCC1OC(C(C)=NOC)=C(C(=O)O)C(O)C1(C)O
|
[C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C]
|
Cc1ccc(OCC(=O)NCCCNC(=O)c2ccncc2)cc1C
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CCC1C(=O)Nc2cc(C(F)(F)F)ccc2N1S(=O)(=O)c1cccc2cccnc12
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2]
|
COc1ccc(S(=O)(=O)N(Cc2ccncc2)C(C(=O)NO)C(C)C)cc1
|
[C][N][C][=N][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1]
|
Cn1cnc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1][=N][Ring1][P]
|
CCN(CC)c1nc(C)cc(C(=O)Nc2cnn(CC)c2)n1
|
[C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]
|
CN(C)CCNC(=O)c1cccc2c1Oc1ccccc1O2
|
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][S][C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CC(C)=CCCC(C)=CCCC(C)=CCSCC(NS(=O)(=O)c1ccc(Br)s1)C(=O)O
|
[F][C][=C][C][Branch1][P][N][C][=N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][=Branch2][=C][C][=C][Ring1][S][C][C][N][C][C][O][Ring1][=Branch1]
|
Fc1cc(Nc2ncc(C3CC3)cn2)ccc1C1CNCCO1
|
[C][C][N][C][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CCn1cc(SCC(=O)N2CCCC(O)(CO)C2)c2ccccc21
|
[C][C][O][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][C][=Ring1][=N][C][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2][C]
|
Cc1oc(-c2cc(F)ccc2F)nc1CN1CCN(C)C(=O)C1C
|
[O][=C][Branch2][Ring1][O][O][C][C][N+1][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C][C][C][Ring1][#C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
O=C(OC1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1
|
[C][C][C][=C][C][=Branch2][Ring1][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][Ring1][O][Branch1][C][O][C][C]
|
CCc1c2c(nc3ccc(B(O)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC
|
[O][C][=C][C][=C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][#C]
|
Oc1ccc2ncn(-c3ccccc3)c2c1
|
[C][C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][N][N][N][=N][Ring1][Branch2]
|
CCc1nccn1-c1ccc(NN)nn1
|
[O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=N][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Ring2][F]
|
O=S(=O)(Nc1ncns1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1F
|
[O][=C][Branch2][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][S][Ring1][Branch1]
|
O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P]
|
NS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][S][C][=N][N][=C][Branch1][C][S][N][C][C][C][C][C][Ring1][Branch1][S][Ring1][S]
|
O=[N+]([O-])c1ccc(C=NN=C(S)NC2CCCC2)s1
|
[C][O][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][N][N][=C][C][=Branch1][=Branch2][=C][Ring1][Branch1][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch2][Ring1][C][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][C][Ring2][Ring1][=Branch2][=O]
|
COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][C][C][C]
|
COC(=O)C(NC(=O)NCc1cccc(OC)c1)C(C)C
|
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][C][Branch1][Branch2][N][C][C][=C][C][Ring1][Branch1][C][C][Ring1][O]
|
O=C(c1cccc(Br)c1)N1CCC(N2CC=CC2)CC1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring2][=Branch2]
|
CC(=O)Nc1ccc(CC(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][Branch1][C][O][C][=N][C][=C][O][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=N][Ring1][=C][C][Ring2][Ring2][Ring2][Ring2][Ring1][S]
|
CC1OC(=O)C2(C(O)c3ncco3)CC(F)(F)C(C)C(C=Cc3ccc(-c4ccccc4C#N)cn3)C12
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring2]
|
COc1ccc(C=NOC(=O)Nc2ccccc2OC)cc1
|
[C][C][N][C][=C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][=Branch2][C][=N][NH1][C][=C][C][=N][C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][Ring1][=N][=C][C][=N][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][O]
|
CCn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1
|
[C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][N][=C][Ring2][Ring1][Ring2][N][=Ring2][Ring1][=Branch2]
|
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C)nc2n1
|
[C][C][C][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S][=Ring1][N][C][=C][Ring2][Ring1][O]
|
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1
|
[C][C][=C][C][=C][Branch2][=Branch1][N][C][O][C][C][Branch2][Ring2][Ring1][C][C][O][C][O][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][Branch1][C][Ring1][#C][C][C][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C][C][C][O][C][O][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][Branch1][C][Ring1][#C][C][C][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C][C][=C][Ring2][Branch1][C]
|
Cc1ccc(COCC(CC2OC3OC4(C)CCC5C(C)CCC(C2C)C35OO4)CC2OC3OC4(C)CCC5C(C)CCC(C2C)C35OO4)cc1
|
[C][C][O][C][=C][C][=C][C][=C][Branch2][Ring1][O][C][=N][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][N][=C][Ring1][=N][C][Branch1][C][N][=O][C][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CCOc1ccc2cc(-c3nn(C4CCCCCC4)c(N)c3C(N)=O)cnc2c1
|
[C][C][O][N][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][=C][F]
|
CCON=C1C=C(C#Cc2ccccn2)CCC1F
|
[C][N+1][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch1][O][C][=N][C][Branch1][C][N][=N][O][Ring1][=Branch1][C][Ring1][=C]
|
C[N+]12CCC(CC1)C(c1nc(N)no1)C2
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][#Branch2]
|
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1
|
[C][C][Branch1][C][C][C][Branch2][Ring2][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][Ring1][#C][C][=Branch1][C][=O][O]
|
CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1ccc(-n3cncn3)cc12)C(=O)O
|
[C][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1]
|
CC(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc[n+]1[O-]
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring1][=C][N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O][C][Branch1][C][C][=C][Ring2][Ring1][#C]
|
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNN3CCCCC3c3cccnc3)C2=O)c(C)c1
|
[C][O][C][=C][C][=C][Branch2][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][N][=O][C][=C][Ring2][Ring2][=Branch2]
|
COc1ccc(S(=O)(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCC[N+](C)(C)C)C(=O)NC(CO)C(N)=O)cc1
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][C][O][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
O=[N+]([O-])c1ccc(N(CC2CO2)S(=O)(=O)c2ccccc2)cc1
|
[O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][O]
|
O=C(c1cccc(Cc2ccccc2)c1)c1ccc2cccnc2c1O
|
[C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O]
|
CC(N)C(=O)NC(C1CCCCC1)P(=O)(O)O
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=N][C][Branch2][Ring1][S][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][O][Ring1][P][=C][S][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
|
CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)c4ccc(C)c(C)c4)o3)cs2)cc1
|
[C][N][C][=Branch1][C][=O][O][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C]
|
CNC(=O)ON(C(C)=O)C(=O)NC
|
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CC(C)CNC(=O)C(CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)Cc1ccccc1
|
[C][C][N][=C][S][C][=Ring1][Branch1][C][C][N]
|
Cc1ncsc1CCN
|
[C][C][C][C][=N][C][Branch1][Ring1][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CCCc1nc(SC)c(C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1
|
[C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][S][=C][Ring2][Ring2][Branch1]
|
COc1cc(O)c2c(=O)c(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)oc2c1
|
[C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][C][O][=N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=C][N][Ring1][P][C][C][O][C][Ring1][=Branch1]
|
CC1CCCN1C(=O)c1cc(C(O)=NCc2c(F)cccc2Cl)c2n1CCOC2
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][N][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
COc1ccc(C2CC(c3cccc([N+](=O)[O-])c3)=NN2)cc1
|
[C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][Ring2][Ring1][Branch2]
|
CC(N)C(=O)NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1
|
[C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][S]
|
COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(S(C)(=O)=O)C1
|
[C][N][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
CNC(Cc1ccc2c(c1)OCO2)C(C)(C)C
|
[C][C][O][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][Ring1][O][N][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]
|
CCOc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][=Branch2][Br]
|
O=C(O)C=Cc1cc(Br)c(Br)c(Br)c1Br
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]
|
Cc1noc(C)c1C(=O)NCC1COc2ccccc2O1
|
[C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
|
C=CC(=O)NC(=O)C=Cc1cc(OC)c(OC)c(OC)c1
|
[C][C][=N][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=C][=N][Ring2][Ring1][=C]
|
Cc1nc(NCCN2CCOCC2)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1
|
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1]
|
O=C(NC1CCCCC1)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1]
|
COc1ccccc1C(=O)NCCC(=O)N1CCCCC1
|
[C][N][Branch2][Ring1][Ring1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2]
|
CN(CCOc1ccc(C(=N)N)cc1)CCOc1ccc(C(=N)N)cc1
|
[C][N][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
Cn1c2c(c3ccccc3c1=O)C(O)c1ccccc1-2
|
[O][C][C][O][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][NH1][Ring1][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring1][O]
|
OCC1OC(c2nc(-c3ccccn3)n[nH]2)C(O)C(O)C1O
|
[C][O][C][=Branch1][C][=O][C][=C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O][C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][Branch1][C][O][C][Ring1][P][O]
|
COC(=O)C=CCCCOP(=O)(O)CP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O
|
[N][C][=Branch1][C][=O][N][N][=C][Branch1][Ring1][C][S][C][S]
|
NC(=O)NN=C(CS)CS
|
[C][C][C][C][C][S][C][=C][Branch1][#Branch1][C][=Ring1][Branch1][C][Ring1][=Branch2][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=N][Ring1][N]
|
CC1CCc2sc3c(c2C1)CN1CC(=O)NC1=N3
|
[C][C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][P]
|
CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
|
[N][#C][C][N][C][C][#N]
|
N#CCNCC#N
|
[C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][=C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][O][C][Ring2][Ring1][=C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring2][O][=C][Ring2][Ring2][#C]
|
COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3ccccc3)nc2c1
|
[C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=N][Ring1][=N][=C][Ring2][Ring1][#Branch1]
|
Cc1ccc(O)c(NC(=O)c2cn(Cc3ccccc3F)nn2)c1
|
[C][C][N][=C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][#C][C][C][C][C][Ring2][Ring1][#Branch2]
|
Cc1nc2n(c(=O)c1CCN1CCN(C(=O)c3nn(C)cc3Br)CC1)CCCC2
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.