molecule_smiles
stringlengths 1
110
| SELFIES
stringlengths 3
590
|
|---|---|
COC(=O)C1=C(c2ccccc2)c2ccncc2C1=O
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#C][=O]
|
C=C(C)CN1Cc2cccc3[nH]c(=O)n(c23)C(C)C1
|
[C][=C][Branch1][C][C][C][N][C][C][=C][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Branch1][C][C][C][Ring1][#C]
|
CC(=O)NCC1CCC(CNC(C)=O)CC1
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C][C][Ring1][O]
|
C=CCc1ccc(Oc2cc(CC=C)c3c(c2O)OC2(C)CCC(C(C)C)C3C2)cc1
|
[C][=C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch2][O][O][C][Branch1][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][N]
|
Clc1cccc(COC(CCn2ccnc2)c2cccs2)c1
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][#Branch2][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Branch1]
|
CCCCn1c(=O)c2cn(S(=O)(=O)CCCCl)nc2n(CCCC)c1=O
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Cl][N][=C][Ring1][N][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1][=O]
|
C=C(C#N)C(O)c1ccccn1
|
[C][=C][Branch1][Ring1][C][#N][C][Branch1][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
Cc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1
|
[C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][S][C][C][=C][Ring2][Ring1][=Branch2]
|
CCC(C)C(NC(=O)C(N)Cc1ccc(N)cc1)C(=O)NCC(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(N)=O
|
[C][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][N][=O]
|
COc1ccc(Cl)cc1C1=C(Br)C(=O)OC1=Cc1ccc(C(F)(F)F)cc1
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][Br][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
COc1ccc(C=Cc2cc(C(C)(C)C)c(OCC(O)CNC(C)C)c(C(C)(C)C)c2)cc1Br
|
[C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C][Br]
|
Cc1cc(C2CNCCO2)ccc1Nc1ncc(C2CC2)cn1
|
[C][C][=C][C][Branch1][=Branch2][C][C][N][C][C][O][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][=Branch2]
|
Cc1cc(NN)nc(NS(=O)(=O)c2ccccc2Cl)n1
|
[C][C][=C][C][Branch1][Ring1][N][N][=N][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Ring1]
|
CCc1nn(Cc2ccc(Cl)cc2)c(=O)c2cc3cc(C)ccc3n12
|
[C][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][#Branch1][Ring1][#Branch2]
|
COc1cc(C(=O)O)c(O)c2ccc3c(c12)C=CC(C)(CCC=C(C)C)O3
|
[C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=C][Ring1][=Branch1][C][=C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][O][Ring1][=C]
|
O=c1cc(-c2ccccc2)c(NCc2ccccc2)n[nH]1
|
[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring2][Ring1][Ring2]
|
NC(=S)N=Cc1c(O)c2ccccc2oc1=O
|
[N][C][=Branch1][C][=S][N][=C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O]
|
Cc1cc(C)cc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)c1
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][P][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Ring1][=N][=C][Ring1][P][C][=C][Ring2][Ring1][O]
|
COc1ccc(C(=O)NC(CC(=O)O)c2ccc(C)cc2)nc1-c1cc(F)cc(F)c1
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
|
CCCC(=NOC1CCCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F
|
[C][C][C][C][=Branch1][O][=N][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CCOc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][N][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1]
|
O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1
|
[O][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][N][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C]
|
Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][P][=N][Ring2][Ring1][=Branch1]
|
CCCCCCCCCS(=O)(=O)C(C)C(O)(Cn1cncn1)c1ccc(F)cc1F
|
[C][C][C][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CCCCCCCCCCC1(C(=O)Nc2c(OC)cc(OC)cc2OC)CCCC1
|
[C][C][C][C][C][C][C][C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][C][C][C][C][Ring2][Ring1][Ring2]
|
CC(=O)N1CCOc2ccc(S(=O)(=O)N3C(C)CCCC3C)cc21
|
[C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][Ring1][P][Ring2][Ring1][Branch1]
|
O=C(Cn1c(O)c2c(c1O)CCCC2)OCc1nnc(-c2ccccc2)o1
|
[O][=C][Branch2][Ring1][Branch1][C][N][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][O][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
|
O=S(=O)(NCc1cccs1)c1cccc2cccnc12
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]
|
Cc1cc(C)cc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)c1
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][=N][C][=C][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][#C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#C]
|
CC(C)=CCCC(C)=CCC1CC2(CC=C(C)C)C(=O)C(C(=O)c3cccc(O)c3)C(=O)C(CC=C(C)C)(C2=O)C1(C)CCC=C(C)C
|
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Ring2][Ring1][O][=O][C][Ring2][Ring1][#C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C]
|
Clc1ccc2c(N3CCNCC3)ccnc2c1
|
[Cl][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=N][C][Ring1][N][=C][Ring1][S]
|
O=C(C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCOCC1
|
[O][=C][Branch2][Ring1][#C][C][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][P][N][C][C][O][C][C][Ring1][=Branch1]
|
CCc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
|
[C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CNC(C)C(=O)NC1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)C1C
|
[C][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring2][Ring1][P][C]
|
CCCn1sc(=O)n(CC)c1=O
|
[C][C][C][N][S][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][Branch2][=O]
|
CN(C)c1nccc(NC(=O)c2ccncc2)n1
|
[C][N][Branch1][C][C][C][=N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][#C]
|
COCC(NC(=O)Nc1cc2[nH]nc(NCC3CCC3)c2cn1)c1ccccc1
|
[C][O][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][=C][C][NH1][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Ring2][C][=Ring1][O][C][=N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CN1CCN(C(=O)c2cnc(C(=O)CCCCCCc3ccccc3)o2)CC1
|
[C][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][O]
|
CCOc1ccccc1C=NNC(=O)CCCCC(=O)NN=Cc1ccccc1OCC
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C]
|
O=C1NCC(c2ccc3c(c2)OC(F)(F)O3)N1c1ccc2[nH]cnc2c1
|
[O][=C][N][C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][O][Ring1][Branch2][N][Ring1][S][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
COc1ccc(Cl)cc1NC(=O)Nc1ccccc1Cl
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
COc1ccc(Cn2cnc3c(-c4ccco4)nc(C#N)nc32)cc1
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=N][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Branch1][Ring1][C][#N][N][=C][Ring1][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
|
COc1cc(C=NNc2nc(Cl)nc3c2cnn3-c2ccccc2)ccc1O
|
[C][O][C][=C][C][Branch2][Ring1][N][C][=N][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch2][O]
|
CCn1c(-c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)n[nH]c1=S
|
[C][C][N][C][Branch2][Ring1][S][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][=N][NH1][C][Ring2][Ring1][#Branch1][=S]
|
Nc1nc(C(=NO)C(=O)NC2C(=O)N3C(C(=O)O)=C(C=C4CN(c5ccccc5)C4=O)CSC23)cs1
|
[N][C][=N][C][Branch2][Branch1][Branch2][C][=Branch1][Ring1][=N][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][Ring1][C][=C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][S][C][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][=C][S][Ring2][Ring2][Ring1]
|
Cc1cncnc1N1CCc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2CC1
|
[C][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring1][P][C][C][Ring2][Ring1][=Branch1]
|
COc1ccc(C(=O)CSc2n[nH]c(-c3ccco3)n2)cc1
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][NH1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
|
COC(=O)C(=NNC(N)=O)C(C#N)c1ccccc1
|
[C][O][C][=Branch1][C][=O][C][=Branch1][Branch2][=N][N][C][Branch1][C][N][=O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
COc1cccc(C=NN(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1]
|
COc1cc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)ccc1-n1cccn1
|
[C][O][C][=C][C][Branch2][Ring2][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][=C][Ring1][P][C][#N][=C][C][=C][Ring2][Ring1][#Branch2][N][C][=C][C][=N][Ring1][Branch1]
|
Nc1cccc(SCc2ccc(OCCCCCCCCc3ccccc3)c(C=CC(=O)O)n2)c1
|
[N][C][=C][C][=C][C][Branch2][Ring2][=Branch2][S][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][C]
|
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)SC(C)C2
|
[C][C][N][C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][Ring2][Ring1][Branch1][=O][S][C][Branch1][C][C][C][Ring1][Branch2]
|
Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1
|
[N][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC5CNC(=O)O5)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
|
[C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][N][C][C][C][N][C][=Branch1][C][=O][O][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][=N][F][=C][C][=N][C][Ring2][Ring2][Branch1][=C][Ring2][Ring2][=Branch2]
|
CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(CC)CC3)c3ccccc3n2)cc1
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
|
CCCS(=O)(=O)N1CCC(n2c(C(F)(F)F)nc3cccnc32)CC1
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=N][C][C][Ring2][Ring1][Ring1]
|
CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN1CCS(=O)(=O)CC1)c1ccccc1
|
[C][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][=N][Branch2][Ring1][C][C][C][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CN(Cc1ccc(Cl)cc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1
|
[C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][C][N][Branch1][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][=N]
|
CN(C)CC(=O)ON=C(N)c1ccc(-c2cccc(-c3ccc(C(=N)NOC(=O)CN(C)C)cn3)c2)nc1
|
[C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=N][N][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=N][Ring1][S][=C][Ring2][Ring1][=Branch1][N][=C][Ring2][Ring1][N]
|
O=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2ccccc2Br)o1
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][Ring1][N]
|
O=C(Nc1cccc(-c2cnc3c(NC(=O)c4cccc(C(F)(F)F)c4)nccn23)c1)c1ccc(Cl)c(C(F)(F)F)c1
|
[O][=C][Branch2][Branch1][#Branch1][N][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][=C][N][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][=C][N][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]
|
COc1cc(C2C(C#N)=C(SC)N=C3CCCC(=O)C32)ccc1O
|
[C][O][C][=C][C][Branch2][Ring1][#Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][S][C][N][=C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][O]
|
c1ccc(OCCCCOc2ccc(C3CCNCC3OCc3ccc4ccccc4c3)cc2)cc1
|
[C][=C][C][=C][Branch2][Ring2][O][O][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][Ring2]
|
CC(C)c1nc(CCC(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1
|
[C][C][Branch1][C][C][C][=N][C][Branch2][=Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][S][Ring2][Ring2][#C]
|
CCOC(=O)N1CCN(C(=O)C(CC(C)C)NC(=O)C2CCCCC2)CC1
|
[C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]
|
Clc1ccc(-c2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)c(Cl)c1
|
[Cl][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][N][C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=N][N][=C][Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][=N]
|
O=C(NCC(F)(F)F)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
|
[O][=C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][C][Ring1][P][=N][Ring2][Ring1][Branch1]
|
CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NCc3ccccc3)cc2)C1=O
|
[C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][Ring2][Ring1][#C][=O]
|
COc1ccc(C=Nc2cc(C(C)(C)C)c(O)cc2C)cc1OC
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][O][C][C][=C][Ring2][Ring1][Ring2][O][C]
|
O=C1OC(CNC(=O)C(F)(F)F)CN1c1ccc(N2CCS(=O)(=O)CC2)c(F)c1
|
[O][=C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][=N][C][=C][C][=C][Branch1][#C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][#C]
|
CCCCCc1ccc(-c2cn(-c3n[nH]c(C(=O)OC)n3)nn2)cc1
|
[C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][S][C][=N][NH1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][N][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
O=C(O)C1CC2CC(c3ccc(-c4nn[nH]n4)cc3)CCC2CN1
|
[O][=C][Branch1][C][O][C][C][C][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][C][C][Ring1][P][C][N][Ring2][Ring1][Branch1]
|
Cc1ccc(-n2nccn2)c(C(=O)N2C(C)CCOC2Cn2cc(-c3ccc(F)cn3)cn2)c1
|
[C][C][=C][C][=C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][O][C][Ring1][#Branch1][C][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][=N][Ring1][N][=C][Ring2][Ring1][P]
|
c1ccc2c(c1)-c1ccccc1C2N1CC2CCC(CC2)C1
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][=Branch2]
|
CCCSc1nc(=O)n2cc(C)ccc2n1
|
[C][C][C][S][C][=N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=N][Ring1][N]
|
Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3C(C)C)nc2n1
|
[C][C][C][=C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch2][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][Branch1][C][C][C][N][=C][Ring2][Ring1][Branch1][N][=Ring2][Ring1][#Branch2]
|
COc1ccc(C2=[N+](C)CCn3cccc32)c(OC)c1
|
[C][O][C][=C][C][=C][Branch1][P][C][=N+1][Branch1][C][C][C][C][N][C][=C][C][=C][Ring1][Branch1][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C]
|
Cc1ccc(C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
|
[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1]
|
COc1cccc(CNCC(O)C(Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][N][C][C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][P]
|
COc1ccc(-c2n[nH]c(=S)n2CC(C)C)cc1
|
[C][O][C][=C][C][=C][Branch1][P][C][=N][NH1][C][=Branch1][C][=S][N][Ring1][=Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S]
|
O=S(=O)(NCC1CCCO1)c1ccc(Oc2ccccc2)cc1
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
|
O=C(C1CCN(c2ccc(Cl)cn2)CC1)N(CC1CC1)c1ccc(Cl)cc1
|
[O][=C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring1][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
COc1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)cc(OC)c1
|
[C][O][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][N][C][=C][C][=C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N]
|
O=C1C(Cl)=C(N2CCN(CCO)CC2)C(=O)c2c(O)ccc(O)c21
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring2][Ring1][#Branch1]
|
CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O
|
[C][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch2][Ring1][Branch2][C][C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][Branch1][Branch1][C][C][Ring1][O][C][C][Ring1][=N][=N][C][=Ring2][Ring1][C][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][#Branch2][=O]
|
CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cnccn3)cc2)n1
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][NH1][C][Branch2][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring1]
|
COCCNC(=O)OC1c2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C2C(=O)OCC12)OCO3
|
[C][O][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch2]
|
Cc1cc2c(c(C)c1O)c1ccncc1n2C
|
[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][=N][C]
|
CCN(CC)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccc(C)cc1
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
Cc1n[nH]c(C)c1CCC(=O)N1CCC(O)(CN2CCN(C)CC2)C1
|
[C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][=C]
|
COc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][S][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]
|
CN(C)Cc1cc(O)c2c3c(c(=O)[nH]c2c1)CCCN3
|
[C][N][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][N][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=C][Ring1][N][C][C][C][N][Ring1][O]
|
CCCC(=O)C1=CCCCC1S(=O)(=O)Cc1ccc(F)cc1Cl
|
[C][C][C][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl]
|
CCOC(=O)C1(C)OC2OC3(C)CCC4C(C)CCC1C24OO3
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][O][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][Ring1][#C][C][Ring1][=N][Ring1][#Branch1][O][O][Ring1][=N]
|
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1OC(=O)c1ccc(-c2ccccc2)cc1
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
|
O=C(C=Cc1cnn(Cc2ccccc2)c(=O)c1)Oc1ccccc1
|
[O][=C][Branch2][Ring1][=Branch2][C][=C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
ON=Cc1cc(Br)cs1
|
[O][N][=C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1]
|
CSC1=C(C#N)C2(CCCCC2)C(C(=O)Nc2ccccc2)C(C)=N1
|
[C][S][C][=C][Branch1][Ring1][C][#N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1]
|
NCCN1C(=O)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O
|
[N][C][C][N][C][=Branch1][C][=O][S][C][=Branch1][P][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Ring1][S][=O]
|
CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O
|
[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][O][=O]
|
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