SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
Cn1c(S)nnc1[C@@H]1CCC[C@@H]1C(=O)NCCC1(NC(=O)C2=CC(C)(C)C2)CC1
|
CncS)nnc5[C@@H]CCC[C@@H]5C=O)NCCCNC=O)C=CCC)C)C4))))))CC3
|
[C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
|
C4(=O)C1=CC(C)(C)C1.Cn1c9nnc1S.[C@@H]19CCC[C@@H]17.C168CC1.C37=O.C5C8.N35.N46
|
CCCCCCCCC(=O)N1CCO[C@@H](C)[C@@H]1C(=O)NC[C@H]1CCCCS1
|
CCCCCCCCC=O)NCCO[C@@H]C)[C@@H]6C=O)NC[C@H]CCCCS6
|
[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][S][Ring1][=Branch1]
|
CCCCCCCCC2=O.N12CCO[C@@H](C)[C@@H]15.[C@H]16CCCCS1.C35=O.N34.C46
|
CCCOCC(=O)NC[C@@H](C)n1cc(CCN2CCOC(C)(C)C2)nn1
|
CCCOCC=O)NC[C@@H]C)nccCCNCCOCC)C)C6))))))))nn5
|
[C][C][C][O][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][=C][Branch1][P][C][C][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][N][=N][Ring1][#C]
|
N17CCOC(C)(C)C1.n18cc9nn1.C5C3=O.C6[C@H]8C.CCC4.C9C7.O45.N36
|
C[C@H]1O[C@H]2CC[C@@]1(C(=O)N1CCC(F)(c3cn(C[C@H](O)C(F)(F)F)nn3)CC1)C2
|
C[C@H]O[C@H]CC[C@@]6C=O)NCCCF)ccnC[C@H]O)CF)F)F))))nn5)))))CC6)))))))C5
|
[C][C@H1][O][C@H1][C][C][C@@][Ring1][=Branch1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch2][Ring1][#Branch1][C][=C][N][Branch1][=C][C][C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][N][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
|
C[C@H]1O[C@H]2CC[C@@]15C2.N14CCC7(F)CC1.C6[C@H](O)C(F)(F)F.c17cn6nn1.C45=O
|
CC(C)(C)OC(=O)N1CC([C@H](O)C(=O)N2CC[C@@H](P(C)(C)=O)C2(C)C)C1
|
CCC)C)OC=O)NCC[C@H]O)C=O)NCC[C@@H]PC)C)=O))C5C)C))))))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch2][P][Branch1][C][C][Branch1][C][C][=O][C][Ring1][=Branch2][Branch1][C][C][C][C][Ring2][Ring1][Ring1]
|
N15CC[C@@H](P(C)(C)=O)C1(C)C.N14CC7C1.[C@@H]7(O)C5=O.CC6(C)C.C34=O.O36
|
Cc1nc2n(n1)CCC[C@H]2N=c1cccc(S(=O)(=O)NCCC#N)[nH]1
|
Ccncnn5)CCC[C@H]6N=cccccS=O)=O)NCCC#N))))))[nH]6
|
[C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C@H1][Ring1][#Branch1][N][=C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][#N][NH1][Ring1][=C]
|
Cc1nc2n(n1)CCC[C@H]2N=c1cccc(S4(=O)=O)[nH]1.C3CC#N.N34
|
COc1cc(C)c(C(=O)N2CC(CNC(=O)c3ccc(N)c(N)c3)C2)cn1
|
COcccC)cC=O)NCCCNC=O)ccccN)cN)c6)))))))))C4)))))cn6
|
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][S][C][=N][Ring2][Ring1][=Branch2]
|
c16cc(C)c8cn1.c19ccc(N)c(N)c1.N14CC%10C1.C48=O.C59=O.CO6.C7%10.N57
|
O=C(CC(C1CC1)C1CC1)N[C@@H](CNC(=O)c1cccc(Cl)c1C(F)F)C1CC1
|
O=CCCCCC3)))CCC3)))))N[C@@H]CNC=O)cccccCl)c6CF)F)))))))))))CCC3
|
[O][=C][Branch1][#C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][N][C@@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][F][F][C][C][C][Ring1][Ring1]
|
c16cccc(Cl)c1%10.O=C2CC78.[C@@H]49C5.C17CC1.C18CC1.C36=O.C%10(F)F.C19CC1.N24.N35
|
CC[C@H](C)CC(=O)N[C@H]1CCO[C@H](CNC(=O)C=Cc2ccc(O)c(OC)c2)C1
|
CC[C@H]C)CC=O)N[C@H]CCO[C@H]CNC=O)C=CccccO)cOC))c6)))))))))))C6
|
[C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch1]
|
C=8c1ccc(O)c5c1.CC[C@H](C)CC3=O.[C@H]17CCO[C@H]9C1.C4(=O)C=8.N37.C69.N46.O5C
|
N#CC1(CC(=O)N2CCS(=O)(=O)N3CCCCC[C@H]23)CCOCC1
|
N#CCCC=O)NCCS=O)=O)NCCCCC[C@H]%117)))))))))))))CCOCC6
|
[N][#C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C@H1][Ring1][=N][Ring1][#Branch1][C][C][O][C][C][Ring2][Ring1][=Branch1]
|
N14CCS(=O)(=O)N2CCCCC[C@H]12.N#CC15CCOCC1.C5C4=O
|
CC(C)(F)CCC(=O)NCC(C)(C)OCC(=O)NCCN1CCNC1=O
|
CCC)F)CCC=O)NCCC)C)OCC=O)NCCNCCNC5=O
|
[C][C][Branch1][C][C][Branch1][C][F][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O]
|
CC(C)(F)CCC2=O.N18CCNC1=O.C6C4(C)C.C5C3=O.C7C8.N26.O45.N37
|
Cc1ccc2[nH]nc(C(=O)N3CC[C@](O)(CCNC(=O)CCC(F)F)C3)c2c1
|
Ccccc[nH]ncC=O)NCC[C@]O)CCNC=O)CCCF)F))))))))C5))))))c5c9
|
[C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][F][C][Ring1][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
Cc1ccc2[nH]nc7c2c1.N14CC[C@@]8(O)C1.C5(=O)CCC(F)F.C47=O.C8C6.N56
|
O=C([C@H](F)CC1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](CCO)C1
|
O=C[C@H]F)CCCCCC5)))))))NCCNcncc[N+]=O)[O-]))cc6F)))))))[C@H]CCO)))C6
|
[O][=C][Branch1][=N][C@H1][Branch1][C][F][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][P][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][C@H1][Branch1][Ring2][C][C][O][C][Ring2][Ring1][Ring1]
|
c14ncc([N+](=O)[O-])cc1F.N13CCN4[C@H]5C1.O=C3[C@H](F)C6.C16CCCC1.C5CO
|
Cc1nc(C(=O)N(C)[C@@H](C)CNC(=O)c2c[nH]cc2C2CC2)cs1
|
CcncC=O)NC)[C@@H]C)CNC=O)cc[nH]cc5CCC3))))))))))))))cs5
|
[C][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][Ring1][Branch1][C][C][C][Ring1][Ring1][=C][S][Ring2][Ring1][#Branch1]
|
Cc1nc7cs1.c18c[nH]cc19.[C@H]5(C)C6.C37=O.N35C.C48=O.C19CC1.N46
|
CN(Cc1cn(CCCN2CCCC2)nn1)C(=O)[C@@]12CCCC[C@@H]1CC(F)(F)C2
|
CNCccnCCCNCCCC5))))))))nn5))))))C=O)[C@@]CCCC[C@@H]6CCF)F)C9
|
[C][N][Branch2][Ring1][Branch1][C][C][=C][N][Branch1][O][C][C][C][N][C][C][C][C][Ring1][Branch1][N][=N][Ring1][=N][C][=Branch1][C][=O][C@@][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][O]
|
[C@@]126CCCC[C@@H]1CC(F)(F)C2.c18cn7nn1.N15CCCC1.C7CC5.CN34.C36=O.C48
|
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(-c2cccs2)c(F)c1
|
CC[C@@H]CNC)cccccc6CN%11C=O)Ncccc-ccccs5)))))cF)c6
|
[C][C][C@@H1][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N]
|
[C@@H]16CN(C)c2ccccc2CN13.c15ccc7c(F)c1.c17cccs1.C34=O.CC6.N45
|
COCC[C@@H](CNC(=O)CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)NC(=O)C(F)F
|
COCC[C@@H]CNC=O)CCC[C@H]C[C@@H]CCF)C6)C8)))C6))))))))))NC=O)CF)F
|
[C][O][C][C][C@@H1][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][C][C][C@H1][C][C@@H1][Branch1][=C][C][C][Branch1][C][F][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][C][F][F]
|
C129C[C@H]3C[C@H](C1)CC(F)(C3)C2.C6C[C@H]7C8.C5(=O)C(F)F.C4(=O)C9.CO6.N48.N57
|
CCOC(=O)CC(=O)N[C@@]12CC[C@@](CNC(=O)[C@@H]3CCN3CC)(C1)OC2
|
CCOC=O)CC=O)N[C@@]CC[C@@]CNC=O)[C@@H]CCN4CC)))))))))C5)OC6
|
[C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@@][C][C][C@@][Branch1][#C][C][N][C][=Branch1][C][=O][C@@H1][C][C][N][Ring1][Ring2][C][C][Branch1][Ring2][C][Ring1][#C][O][C][Ring1][P]
|
[C@@]12%10CC[C@@]%12(C1)OC2.C4(=O)CC5=O.[C@@H]1%11CCN19.C6%11=O.CC7.O47.N5%10.C8%12.N68.C9C
|
CON=CC(=O)NC12CC(NC(=O)c3ccc(C=CC(=O)OC)o3)(C1)C2
|
CON=CC=O)NCCCNC=O)ccccC=CC=O)OC)))))o5)))))))C4)C4
|
[C][O][N][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=Branch1][C][=O][O][C][O][Ring1][O][Branch1][Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][Ring1]
|
c19ccc(C=%10)o1.CON=CC5=O.C127CC8(C1)C2.C=%10C4=O.C69=O.N57.N68.O4C
|
CCC[C@@H]1CCC[C@@H]1C(=O)NC(C)(C)CNC(=O)c1cccc2c(C)cccc12
|
CCC[C@@H]CCC[C@@H]5C=O)NCC)C)CNC=O)ccccccC)cccc%106
|
[C][C][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][O][Ring1][#Branch1]
|
c18cccc2c(C)cccc12.[C@@H]19CCC[C@@H]17.C5(C)(C)C6.CCC9.C37=O.C48=O.N35.N46
|
CN1CC(C(=O)NCc2cccc(NC(=O)c3ccn4cncc4c3)c2)C1
|
CNCCC=O)NCcccccNC=O)cccncncc5c9)))))))))))c6)))))))))C4
|
[C][N][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2]
|
c1%10ccn2cncc2c1.c1%11cccc8c1.CN1CC9C1.C59=O.C6%10=O.N57.C7%11.N68
|
COCCSCC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2
|
COCCSCC=O)N[C@@H]C[C@@H]C[C@H]5CNC=O)[C@@H]CCC=O)NC6)))))))C6
|
[C][O][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][Ring1][#C]
|
[C@@H]18C[C@@H]2C[C@H]1CN4C2.[C@@H]19CCC(=O)NC1.C7C3=O.C5C6.C49=O.CO5.S67.N38
|
CCc1nccnc1C(=O)NC[C@@H]1C[C@@H](NC(=O)CCCCCC#N)C12CCC2
|
CCcnccnc6C=O)NC[C@@H]C[C@@H]NC=O)CCCCCC#N)))))))))C4CCC4
|
[C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][C][#N][C][Ring1][=C][C][C][C][Ring1][Ring2]
|
C4(=O)CCCCCC#N.[C@@H]19C[C@@H]6C12CCC2.c18nccnc17.C37=O.CC8.N35.C59.N46
|
O=C(CO)NCCc1ccc(CNC(=O)c2ccc(N3CCCC3)c(F)c2)cc1
|
O=CCO))NCCccccCNC=O)ccccNCCCC5)))))cF)c6)))))))))cc6
|
[O][=C][Branch1][Ring1][C][O][N][C][C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1]
|
c19ccc8c(F)c1.c1%10ccc%11cc1.N18CCCC1.O=C4CO.C6C%10.C59=O.N46.C7%11.N57
|
Cn1ccnc1C(=O)N[C@@H]1CN(C(=O)c2cc3scnc3[nH]2)[C@]2(CCCOC2)C1
|
Cnccnc5C=O)N[C@@H]CNC=O)cccscnc5[nH]8)))))))))[C@]CCCOC6)))))C5
|
[C][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][S][C][=N][C][=Ring1][Branch1][NH1][Ring1][Branch2][C@][Branch1][Branch2][C][C][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
[C@@H]16CN5[C@]2(CCCOC2)C1.c18cc2scnc2[nH]1.Cn1ccnc17.C47=O.C58=O.N46
|
CCC[C@@H](C)CC(=O)N1CC(n2cc(CNC(=O)C[C@H]3CCC(=O)N3C)nn2)C1
|
CCC[C@@H]C)CC=O)NCCnccCNC=O)C[C@H]CCC=O)N5C))))))))))nn5)))))C4
|
[C][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][N][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][N][=N][Ring1][P][C][Ring2][Ring1][Branch1]
|
CCC[C@@H](C)CC4=O.[C@H]17CCC(=O)N1C.n19cc8nn1.N14CC9C1.C5(=O)C7.C68.N56
|
CC[C@H](C)C[C@H](CO)NC(=O)C1(NC(=O)c2cc(C(C)C)no2)CC(F)(F)C1
|
CC[C@H]C)C[C@H]CO))NC=O)CNC=O)cccCC)C))no5)))))))CCF)F)C4
|
[C][C][C@H1][Branch1][C][C][C][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][P]
|
CC[C@H](C)C[C@@H]5CO.C168CC(F)(F)C1.c17cc9no1.C38=O.C47=O.C9(C)C.N35.N46
|
CN1CCC[C@H](C(=O)NCC(C)(C)C2CCN(C(=O)c3cnc(Cl)s3)CC2)C1
|
CNCCC[C@H]C=O)NCCC)C)CCCNC=O)ccncCl)s5))))))CC6))))))))))C6
|
[C][N][C][C][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][O]
|
CN1CCC[C@H]8C1.C19CCN5CC1.c17cnc(Cl)s1.C6C9(C)C.C48=O.C57=O.N46
|
C=CC[C@@]1(NC(=O)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)CCN(C(=O)C2CC(F)(F)C2)C1
|
C=CC[C@@]NC=O)[C@@H]CC[C@@H]C5[C@@H]3C6)))))))))CCNC=O)CCCF)F)C4)))))C5
|
[C][=C][C][C@@][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][C][Ring1][Branch1][C@@H1][Ring1][Ring1][C][Ring1][=Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1]
|
[C@@]17%10CCN6C1.[C@@H]18C2C[C@@H]3C1[C@@H]3C2.C19CC(F)(F)C1.C=CC%10.C58=O.C69=O.N57
|
C#CC#CC(C)(C)NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H]1CC(C)=NO1
|
C#CC#CCC)C)NC=O)[C@H]CCC)C)))NC)C=O)C[C@H]CCC)=NO5
|
[C][#C][C][#C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][C][Branch1][C][C][=N][O][Ring1][=Branch1]
|
C2(=O)[C@@H]5CC(C)C.C#CC#CC4(C)C.[C@H]16CC(C)=NO1.C3(=O)C6.N35C.N24
|
CC[C@H](C(=O)NC1CC(CNC(=O)c2cc(O)n(CC)n2)C1)c1ccc(F)cc1
|
CC[C@H]C=O)NCCCCNC=O)cccO)nCC))n5))))))))C4))))))ccccF)cc6
|
[C][C][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][O][N][Branch1][Ring1][C][C][N][=Ring1][Branch2][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
c17cc(O)n8n1.c1%10ccc(F)cc1.CC[C@@H]%10C3=O.C16CC9C1.C47=O.N36.C59.N45.C8C
|
CC(C)(C(=O)NCCOC1CN(C(=O)c2c(F)cc(Br)cc2F)C1)C1CC1
|
CCC)C=O)NCCOCCNC=O)ccF)ccBr)cc6F))))))))C4)))))))))CCC3
|
[C][C][Branch1][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F][C][Ring1][#C][C][C][C][Ring1][Ring1]
|
c18c(F)cc(Br)cc1F.CC9(C)C3=O.C16CN4C1.C7C5.C48=O.C19CC1.N37.O56
|
C=C=C[C@@H](C)C(=O)N1CCN([C@@H](C)CNC(=O)CCCCC(N)=O)CC1
|
C=C=C[C@@H]C)C=O)NCCN[C@@H]C)CNC=O)CCCCCN)=O))))))))))CC6
|
[C][=C][=C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][N][=O][C][C][Ring2][Ring1][Ring1]
|
C3(=O)CCCCC(N)=O.C=C=C[C@@H](C)C2=O.N12CCN4CC1.[C@H]4(C)C5.N35
|
COc1cnnc(C(=O)N2CCN([C@H]3CCN(C(=O)C[C@H](C)C(F)F)C3)CC2)c1
|
COccnncC=O)NCCN[C@H]CCNC=O)C[C@H]C)CF)F)))))C5)))))CC6)))))))c6
|
[C][O][C][=C][N][=N][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][F][F][C][Ring1][=N][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O]
|
C5(=O)C[C@H](C)C(F)F.c16cnnc8c1.N14CCN7CC1.[C@H]17CCN5C1.C48=O.CO6
|
COCC[C@@H](CNC(=O)CO[C@H]1CCCOC1)NC(=O)c1ccc(O)nc1Cl
|
COCC[C@@H]CNC=O)CO[C@H]CCCOC6)))))))))))NC=O)ccccO)nc6Cl
|
[C][O][C][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C@H1][C][C][C][O][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][Cl]
|
c19ccc(O)nc1Cl.C4C[C@H]7C8.[C@H]16CCCOC1.C2(=O)C5.C39=O.CO4.N28.O56.N37
|
C#CCN(CC(=O)N[C@H](C)C(=O)NCCC)C(=O)[C@H]1CC12CCCCC2
|
C#CCNCC=O)N[C@H]C)C=O)NCCC)))))))))C=O)[C@H]CC3CCCCC6
|
[C][#C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][C][C][C][Ring1][=Branch1]
|
[C@H]1%10CC12CCCCC2.[C@@H]8(C)C4=O.C7C3=O.C#CC6.N567.C9CC.C5%10=O.N38.N49
|
O=C(N[C@@H]1CC[C@@H](CCNC(=O)c2ccc(Cl)[nH]2)C1)c1cnc2ccccc2c1
|
O=CN[C@@H]CC[C@@H]CCNC=O)ccccCl)[nH]5)))))))))C5))))))ccncccccc6c%10
|
[O][=C][Branch2][Ring1][=N][N][C@@H1][C][C][C@@H1][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][NH1][Ring1][=Branch1][C][Ring1][S][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
c18cnc2ccccc2c1.[C@@H]16CC[C@@H]9C1.c17ccc(Cl)[nH]1.O=C38.C9C5.C47=O.N36.N45
|
Cc1cc(C(=O)N2C[C@@H]3CCOC[C@]3(NC(=O)Cc3nonc3C)C2)sn1
|
CcccC=O)NC[C@@H]CCOC[C@]6NC=O)Ccnonc5C)))))))))C9))))))))))sn5
|
[C][C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C][O][C][C@][Ring1][=Branch1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=N][O][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][Ring1][S][N][=Ring2][Ring1][#Branch2]
|
N14C[C@@H]2CCOC[C@]26C1.Cc1cc7sn1.c18nonc1C.C5(=O)C8.C47=O.N56
|
COC[C@@H](C)N1CCN([C@@H](C(=O)NCC(F)F)c2ccc3c[nH]nc3c2)CC1
|
COC[C@@H]C)NCCN[C@@H]C=O)NCCF)F)))))ccccc[nH]nc5c9))))))))))CC6
|
[C][O][C][C@@H1][Branch1][C][C][N][C][C][N][Branch2][Ring1][N][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][F][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1]
|
c19ccc2c[nH]nc2c1.N16CCN7CC1.[C@@H]79C4=O.C5[C@H]6C.C8C(F)F.CO5.N48
|
CS(=O)(=O)c1ncc(C(=O)N2CCN(C(=O)C3CC4(C3)CC3(CC3)C4)[C@H]3C[C@H]32)s1
|
CS=O)=O)cnccC=O)NCCNC=O)CCCC4)CCCC3))C4)))))))[C@H]C[C@H]37))))))))s5
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][Ring2][Ring1][C][S][Ring2][Ring1][=Branch2]
|
CS(=O)(=O)c1ncc7s1.C18CC2(C1)CC1(CC1)C2.N15CCN6[C@H]2C[C@H]21.C57=O.C68=O
|
CO[C@@]1(C(=O)NC[C@@](C)(NC(=O)Cc2scnc2C)C(C)C)CCOC1
|
CO[C@@]C=O)NC[C@@]C)NC=O)Ccscnc5C)))))))))CC)C))))))CCOC5
|
[C][O][C@@][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][S][C][=N][C][=Ring1][Branch1][C][C][Branch1][C][C][C][C][C][O][C][Ring2][Ring1][Branch2]
|
C6[C@]7(C)C(C)C.[C@]158CCOC1.c19scnc1C.C4(=O)C9.C38=O.CO5.N36.N47
|
CCOC1(OCC)CC(C)(C(=O)NC[C@@H]2CCN2C(=O)C(F)(F)CC(C)C)C1
|
CCOCOCC)))CCC)C=O)NC[C@@H]CCN4C=O)CF)F)CCC)C))))))))))))C4
|
[C][C][O][C][Branch1][Ring2][O][C][C][C][C][Branch1][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2]
|
C4(=O)C(F)(F)CC(C)C.C178CC%10(C)C1.[C@@H]1%11CCN14.C3%10=O.CC5.O57.O68.C6C.N39.C9%11
|
COC1(CNC(=O)c2ccoc2C)CCN(C(=O)[C@H](C)OC2CCCCC2)CC1
|
COCCNC=O)cccoc5C)))))))))CCNC=O)[C@H]C)OCCCCCC6)))))))))CC6
|
[C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][O]
|
C15%10CCN4CC1.c19ccoc1C.C17CCCCC1.C4(=O)[C@@H]6C.C39=O.CO5.C8%10.N38.O67
|
C=C(C)CCCC(=O)N[C@H](C)[C@@H](CO)NC(=O)c1cccc(Cl)c1N
|
C=CC)CCCC=O)N[C@H]C)[C@@H]CO))NC=O)cccccCl)c6N
|
[C][=C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N]
|
C=C(C)CCCC2=O.c16cccc(Cl)c1N.[C@@H]4(C)[C@H]5CO.C36=O.N24.N35
|
Cc1ncc(CC(=O)NC[C@@]2(C)CCCN2C(=O)C(=O)NCC(F)F)o1
|
CcnccCC=O)NC[C@@]C)CCCN5C=O)C=O)NCCF)F)))))))))))))))o5
|
[C][C][=N][C][=C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][F][F][O][Ring2][Ring1][=Branch2]
|
[C@]18(C)CCCN14.Cc1ncc9o1.C4(=O)C5=O.C9C3=O.C7C(F)F.N36.C68.N57
|
O=C(c1c[nH]c2cc(C(F)(F)F)ccc2c1=O)N1CCCC[C@@H]1CCO
|
O=Ccc[nH]cccCF)F)F))ccc6c%10=O)))))))))))NCCCC[C@@H]6CCO
|
[O][=C][Branch2][Ring1][#Branch2][C][=C][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][O]
|
c14c[nH]c2cc6ccc2c1=O.N13CCCC[C@@H]15.C6(F)(F)F.O=C34.C5CO
|
Cc1csnc1C(=O)N[C@H](CCC(C)C)C(=O)N1CCC(C)(C)CC1
|
Cccsnc5C=O)N[C@H]CCCC)C))))C=O)NCCCC)C)CC6
|
[C][C][=C][S][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2]
|
[C@@H]4(CCC(C)C)C3=O.N13CCC(C)(C)CC1.Cc1csnc15.C25=O.N24
|
O=C(C[C@@]12CCC[C@@H]1C2)N1CCN(C(=O)c2cccn2C2CC2)C2(CCC2)C1
|
O=CC[C@@]CCC[C@@H]5C6)))))))NCCNC=O)ccccn5CCC3)))))))))CCCC4)))C6
|
[O][=C][Branch1][N][C][C@@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Ring1]
|
N13CCN4C2(CCC2)C1.[C@@]126CCC[C@@H]1C2.c15cccn17.O=C3C6.C45=O.C17CC1
|
Cc1ccc(F)c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)Cc2ccc(F)c(Cl)c2F)n1
|
CccccF)cC=O)N[C@@H]CC[C@H]4CNC=O)CccccF)cCl)c6F)))))))))))))))))n6
|
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][=N][Ring2][Ring1][N]
|
c19ccc(F)c(Cl)c1F.Cc1ccc(F)c7n1.[C@@H]16CC[C@H]18.C4(=O)C9.C37=O.N36.C58.N45
|
CCOC1([C@@H](NC[C@H]2OCC[C@H]2C)c2nnnn2CCCSCC)CCOCC1
|
CCOC[C@@H]NC[C@H]OCC[C@H]5C))))))))cnnnn5CCCSCC))))))))))))CCOCC6
|
[C][C][O][C][Branch2][Ring1][O][C@@H1][Branch1][O][N][C][C@H1][O][C][C][C@H1][Ring1][Branch1][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][S][C][C][C][C][O][C][C][Ring2][Ring1][#Branch2]
|
C154CCOCC1.[C@H]1%11OCC[C@H]1C.c1%12nnnn1%10.C%10CC8.[C@H]6%124.CC3.O35.N67.C7%11.S89.C9C
|
CCCCC1CCC(C(=O)NCC(F)=C2CN(C(=O)[C@H]3CCC(=O)O3)C2)CC1
|
CCCCCCCCC=O)NCCF)=CCNC=O)[C@H]CCC=O)O5))))))C4))))))))CC6
|
[C][C][C][C][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][F][=C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C][Ring1][N][C][C][Ring2][Ring1][Branch2]
|
C1%10CCC8CC1.[C@H]17CCC(=O)O1.C1=9CN5C1.CCCC%10.C6C=9F.C48=O.C57=O.N46
|
CCC[C@H]1C[C@H](C(=O)NCCOC2CN(C(=O)c3sccc3C(C)=O)C2)CCO1
|
CCC[C@H]C[C@H]C=O)NCCOCCNC=O)csccc5CC)=O))))))))C4)))))))))CCO6
|
[C][C][C][C@H1][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][Branch1][C][C][=O][C][Ring1][=C][C][C][O][Ring2][Ring1][#Branch2]
|
[C@H]1%12C[C@H]%10CCO1.c19sccc1%11.C17CN5C1.CCC%12.C4%10=O.C8C6.C59=O.C%11(C)=O.N48.O67
|
CO[C@@H](C)C(=O)NCC12CC(CNC(=O)CN3C(=O)CCCC3=O)(CO1)C2
|
CO[C@@H]C)C=O)NCCCCCNC=O)CNC=O)CCCC6=O)))))))))))CO5))C4
|
[C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][=O][Branch1][=Branch1][C][O][Ring2][Ring1][C][C][Ring2][Ring1][Ring1]
|
N19C(=O)CCCC1=O.C12%10CC%11(CO1)C2.[C@H]6(C)C4=O.C5(=O)C9.CO6.N47.C7%10.C8%11.N58
|
CC1(C)[C@H]2CC[C@@]1(C(=O)NCC[C@@]1(O)CCN(C(=O)CCCCC#N)C1)C2
|
CCC)[C@H]CC[C@@]5C=O)NCC[C@@]O)CCNC=O)CCCCC#N)))))))C5)))))))))C5
|
[C][C][Branch1][C][C][C@H1][C][C][C@@][Ring1][=Branch1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][#N][C][Ring1][=C][C][Ring2][Ring1][Branch2]
|
CC1(C)[C@H]2CC[C@@]16C2.C4(=O)CCCCC#N.[C@]17(O)CCN4C1.C36=O.C5C7.N35
|
C[C@@H]1CCN(C(=O)[C@H]2CCCN2C2CC2)C[C@@H]1CNC(=O)C1(N(C)C)CC1
|
C[C@@H]CCNC=O)[C@H]CCCN5CCC3)))))))))C[C@@H]6CNC=O)CNC)C))CC3
|
[C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C@@H1][Ring1][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch1]
|
C[C@@H]1CCN3C[C@@H]1%10.[C@H]18CCCN17.C169CC1.C38=O.C17CC1.C49=O.N6(C)C.C5%10.N45
|
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC1CC(C(=O)N[C@@H]2CCCC3(CCC3)C2)C1
|
C=CC)[C@H]OCC[C@H]5C=O)NCCCCCC=O)N[C@@H]CCCCCCC4)))C6))))))))C4
|
[C][=C][Branch1][C][C][C@H1][O][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][C][Ring1][S]
|
[C@@H]17CCCC2(CCC2)C1.C=C(C)[C@H]1OCC[C@H]18.C1%10CC9C1.C48=O.C6C%10.C59=O.N46.N57
|
CCCNC(=O)NC(C)(C)C(=O)NCCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2=O
|
CCCNC=O)NCC)C)C=O)NCCCCNC=O)[C@@H]C[C@H]CC[C@H]6NC6=O
|
[C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][C][Ring1][=Branch1][=O]
|
[C@@H]1%11C[C@H]2CC[C@H]1NC2=O.C8(C)(C)C5=O.C9CCC%10.CCC7.C34=O.C6%11=O.N37.N48.N59.N6%10
|
CCC[C@H](C(=O)NC[C@]1(F)C[C@@H](NC(=O)C2=C(CC)OCCC2)C1)C(C)C
|
CCC[C@H]C=O)NC[C@]F)C[C@@H]NC=O)C=CCC))OCCC6))))))))C4)))))))CC)C
|
[C][C][C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][C][O][C][C][C][Ring1][Branch2][C][Ring1][S][C][Branch1][C][C][C]
|
C4(=O)C1=C(CC)OCCC1.CCC[C@H](C3=O)C(C)C.[C@]17(F)C[C@H]6C1.N35.C57.N46
|
C#CC1(C(=O)N2C[C@H](NC(=O)[C@@H]3CCCc4n[nH]cc43)CC(C)(C)C2)CC1
|
C#CCC=O)NC[C@H]NC=O)[C@@H]CCCcn[nH]cc59)))))))))))CCC)C)C6)))))))CC3
|
[C][#C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][Ring1][=Branch2][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2]
|
C6(=O)[C@@H]1CCCc2n[nH]cc21.N15C[C@H]7CC(C)(C)C1.C#CC18CC1.C58=O.N67
|
O=C(CSC(F)F)N1CC2=C(C1)CN(C(=O)c1cncc(OCC(F)F)c1)C2
|
O=CCSCF)F))))NCC=CC5)CNC=O)ccnccOCCF)F))))c6)))))))C5
|
[O][=C][Branch1][Branch2][C][S][C][Branch1][C][F][F][N][C][C][=C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=C][Ring1][O][C][Ring2][Ring1][Ring1]
|
N13CC2=C(C1)CN4C2.c18cncc6c1.O=C3C7.S7C(F)F.C5C(F)F.C48=O.O56
|
COCCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)C(=O)N(C)C
|
COCCOCC=O)NCC[C@H]CC[C@@H]C7)N5CC=O)N[C@@H]C)C=O)NC)C
|
[C][O][C][C][O][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
C1%11C[C@H]2CC[C@@H](C1)N29.[C@H]%10(C)C5=O.C8C3=O.C9C4=O.C6C7.N5(C)C.CO6.O78.N3%11.N4%10
|
C[C@@H]1CCn2cc(C(=O)N3C[C@H](NC(=O)C[C@](C)(O)C(F)(F)F)C[C@H]3C)nc2C1
|
C[C@@H]CCnccC=O)NC[C@H]NC=O)C[C@]C)O)CF)F)F))))))C[C@H]5C)))))))nc5C9
|
[C][C@@H1][C][C][N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][S][C][N][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][N]
|
C[C@@H]1CCn2cc7nc2C1.C5(=O)C[C@](C)(O)C(F)(F)F.N14C[C@H]6C[C@H]1C.C47=O.N56
|
Cc1ccc(C(=O)NC[C@]2(F)CCN(C(=O)CCCCN=[N+]=[N-])C2)s1
|
CccccC=O)NC[C@]F)CCNC=O)CCCCN=[N+]=[N-]))))))))C5))))))))s5
|
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][=N+1][=N-1][C][Ring1][#C][S][Ring2][Ring1][Branch2]
|
C4(=O)CCCCN=[N+]=[N-].[C@@]17(F)CCN4C1.Cc1ccc6s1.C36=O.N35.C57
|
CC(=CC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NC(=O)Cc1sccc1Br)C1CC1
|
CC=CC=O)NC[C@@H]C[C@H]C[C@H]5[C@@H]8[C@H]5NC=O)Ccsccc5Br))))))))))))))))))))CCC3
|
[C][C][=Branch2][Ring2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C@@H1][Ring1][Branch2][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=Ring1][Branch1][Br][C][C][C][Ring1][Ring1]
|
N14C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]36.c18sccc1Br.CC=7C1CC1.C=7C4=O.C5(=O)C8.N56
|
O=C(NC[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CCCCC1)C2)c1ncc[nH]c1=O
|
O=CNC[C@@H]C[C@H]C[C@@H]C6)NC=O)C#CCCCCCC6)))))))))C5)))))))))cncc[nH]c6=O
|
[O][=C][Branch2][Ring1][P][N][C][C@@H1][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][#C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][=N][C][=C][NH1][C][Ring1][=Branch1][=O]
|
C4(=O)C#CC1CCCCC1.[C@@H]17C[C@H]2C[C@@H](C1)N4C2.c16ncc[nH]c1=O.O=C36.N35.C57
|
CC[C@H](C)CC(=O)C(=O)N1CCC(CCC(=O)NC2(C3CCOCC3)CC2)CC1
|
CC[C@H]C)CC=O)C=O)NCCCCCC=O)NCCCCOCC6))))))CC3)))))))CC6
|
[C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring2]
|
CC[C@H](C)CC(=O)C4=O.C16(C2CCOCC2)CC1.N14CCC7CC1.C7CC5=O.N56
|
CC(=O)NCC(=O)NC[C@@]12CCC[C@@H](CN1C(=O)C[C@@H](C)n1cccn1)C2
|
CC=O)NCC=O)NC[C@@]CCC[C@@H]CN7C=O)C[C@@H]C)ncccn5))))))))))C6
|
[C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@@][C][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C][=C][C][=N][Ring1][Branch1][C][Ring2][Ring1][C]
|
[C@@]129CCC[C@@H](CN15)C2.C5(=O)C[C@H]8C.n18cccn1.C6C4=O.CC3=O.N36.N47.C79
|
CN(C(=O)c1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(C(=O)C2CCC(=C(F)F)CC2)C1
|
CNC=O)cccCl)ccCl)c6O))))))))[C@@H]CCNC=O)CCCC=CF)F))CC6)))))))C5
|
[C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][=Branch1][=Branch1][=C][Branch1][C][F][F][C][C][Ring1][=Branch2][C][Ring1][S]
|
c17cc(Cl)cc(Cl)c1O.C16CCC(=C(F)F)CC1.[C@@H]15CCN4C1.CN35.C37=O.C46=O
|
COC1(C(=O)NCc2ccsc2C(=O)N2CC(CN(C)C)C2)CCOCC1
|
COCC=O)NCcccsc5C=O)NCCCNC)C)))C4)))))))))))))CCOCC6
|
[C][O][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][C][O][C][C][Ring2][Ring1][=Branch2]
|
C159CCOCC1.c1%11ccsc18.N14CC%10C1.C39=O.C48=O.N7(C)C.CO5.N36.C6%11.C7%10
|
Cc1c(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3c3cccs3)CC2)ccc2c1CCC2
|
CccC=O)NCCNC=O)[C@H]C[C@@H]3ccccs5))))))))))CC3))))))cccc6CCC5
|
[C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C][C][=C][C][=C][Ring2][Ring1][Branch2][C][C][C][Ring1][Branch1]
|
Cc1c9ccc2c1CCC2.c1%11cccs1.C17%10CC1.[C@H]18C[C@@H]1%11.C49=O.C58=O.N46.C6%10.N57
|
C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@]2(CCN(C(=O)C(=O)N(C)C)C2)O1
|
C[C@@H]CNC=O)C[C@@H]NC=O)NC5=O))))))))C[C@]CCNC=O)C=O)NC)C))))C5))))O6
|
[C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][C@][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][N][O][Ring2][Ring1][O]
|
C[C@@H]1CN3C[C@]2(CCN4C2)O1.[C@@H]16NC(=O)NC1=O.C4(=O)C5=O.C3(=O)C6.N5(C)C
|
O=C1CN(C(=O)[C@@H]2CN(C(=O)[C@]34CSC[C@H]3C4)CC23CC3)C2(CC2)CN1
|
O=CCNC=O)[C@@H]CNC=O)[C@]CSC[C@H]5C6)))))))CC5CC3))))))))CCC3))CN6
|
[O][=C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C@][C][S][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring1][Ring1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][N][Ring2][Ring1][=Branch2]
|
O=C1CN5C2(CC2)CN1.[C@@H]17CN6CC12CC2.[C@]128CSC[C@H]1C2.C57=O.C68=O
|
C[C@H](NC(=O)CSc1cccs1)[C@H]1CCCN(C(=O)C2=C(Cl)CC2)C1
|
C[C@H]NC=O)CSccccs5)))))))))[C@H]CCCNC=O)C=CCl)CC4)))))C6
|
[C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][S][Ring1][Branch1][C@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][Ring1][Branch1][C][Ring1][=N]
|
[C@H]17CCCN4C1.C4(=O)C1=C(Cl)CC1.c18cccs1.C3(=O)C6.C[C@H]57.N35.S68
|
CCOc1cc(Cl)ccc1C(=O)NCC[C@@H]1CCN(C(=O)CCc2ccoc2)C1
|
CCOcccCl)ccc6C=O)NCC[C@@H]CCNC=O)CCcccoc5))))))))C5
|
[C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][=C]
|
c16cc(Cl)ccc18.[C@@H]19CCN4C1.C4(=O)CC%10.c1%10ccoc1.C38=O.C7C9.CC5.O56.N37
|
CC1(C)CN(C(=O)[C@H]2CCCCN2Cc2ncccc2F)C[C@@H](CO)O1
|
CCC)CNC=O)[C@H]CCCCN6Ccncccc6F)))))))))))))))C[C@@H]CO))O6
|
[C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C@@H1][Branch1][Ring1][C][O][O][Ring2][Ring1][=Branch2]
|
CC1(C)CN3C[C@@H]6O1.[C@H]15CCCCN14.c17ncccc1F.C35=O.C47.C6O
|
C[C@H]1CN(C(=O)C=Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[C@@H](N=[N+]=[N-])C1
|
C[C@H]CNC=O)C=CccccC#N))cc6)))))))))C[C@H]5NC=O)[C@@H]CC[C@@H]N=[N+]=[N-])))C5
|
[C][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C@H1][Ring1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Branch1][Ring2][N][=N+1][=N-1][C][Ring1][Branch2]
|
C=7c1ccc(C#N)cc1.[C@@H]16CC[C@@H](N=[N+]=[N-])C1.C[C@H]1CN3C[C@H]15.C3(=O)C=7.C46=O.N45
|
CC[C@@H](C)C1CN(C(=O)[C@H]2CN(C(=O)C=CCN(C)CC)C[C@@H]2C(C)C)C1
|
CC[C@@H]C)CCNC=O)[C@H]CNC=O)C=CCNC)CC)))))))C[C@@H]5CC)C))))))))C4
|
[C][C][C@@H1][Branch1][C][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][N][Branch1][C][C][C][C][C][C@@H1][Ring1][=C][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1]
|
[C@H]17CN4C[C@@H]1%10.C19CN3C1.CC[C@H]9C.C4(=O)C=8.C37=O.C=8C5.N56C.C%10(C)C.C6C
|
C/C(=C\C(=O)N1CC(F)(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1)C(F)(F)F
|
C/C=C\C=O)NCCF)CNC=O)ccccC)c[N+]=O)[O-]))c6)))))))))C4))))))CF)F)F
|
[C][/C][=Branch2][Ring2][O][=C][\C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
|
c16ccc(C)c([N+](=O)[O-])c1.CC=7C(F)(F)F.N13CC8(F)C1.C=7C3=O.C46=O.C58.N45
|
Cc1ncc(CC(=O)N[C@H](C(=O)NCCCn2ccnn2)[C@H]2CC=CCC2)s1
|
CcnccCC=O)N[C@H]C=O)NCCCnccnn5))))))))))[C@H]CC=CCC6))))))))))s5
|
[C][C][=N][C][=C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=N][Ring1][Branch1][C@H1][C][C][=C][C][C][Ring1][=Branch1][S][Ring2][Ring1][O]
|
Cc1ncc8s1.[C@H]19CC=CCC1.[C@H]59C4=O.n17ccnn1.C8C3=O.C6CC7.N35.N46
|
CCC1(C(=O)N2C3CCC2(CNC(=O)C#CC2CC2)CC3)CC1
|
CCCC=O)NCCCC5CNC=O)C#CCCC3))))))))CC6))))))))CC3
|
[C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][Branch1][=C][C][N][C][=Branch1][C][=O][C][#C][C][C][C][Ring1][Ring1][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1]
|
N14C2CCC18CC2.C5(=O)C#CC1CC1.C179CC1.C47=O.CC9.C68.N56
|
O=C(CSc1ccncc1)N[C@@H]1CN(C(=O)CC2C[C@H]3C[C@@H]3C2)C[C@H]1C(F)(F)F
|
O=CCScccncc6))))))))N[C@@H]CNC=O)CCC[C@H]C[C@@H]3C6))))))))C[C@H]5CF)F)F
|
[O][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][Ring1][=Branch1][C][C@H1][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]
|
[C@@H]17CN5C[C@H]19.c1%10ccncc1.C18C[C@H]2C[C@@H]2C1.O=C4C6.C5(=O)C8.C9(F)(F)F.S6%10.N47
|
CCN(C(=O)C[C@@H]1[C@H]2CN(C(=O)c3cnc(O)c(F)c3)C[C@@H]12)c1ccc(O)cc1
|
CCNC=O)C[C@@H][C@H]CNC=O)ccncO)cF)c6)))))))C[C@@H]65))))))))ccccO)cc6
|
[C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][C@@H1][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][C][C@@H1][Ring1][S][Ring1][#C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
c18cnc(O)c(F)c1.[C@@H]19[C@H]2CN5C[C@@H]12.c17ccc(O)cc1.C4(=O)C9.N467.C58=O.CC6
|
CCn1c(C(=O)NC(C)(C)CNC(=O)c2ccc(F)cc2Br)cnc1O
|
CCncC=O)NCC)C)CNC=O)ccccF)cc6Br)))))))))))))cnc5O
|
[C][C][N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][=C][N][=C][Ring2][Ring1][#Branch1][O]
|
c18ccc(F)cc1Br.n19c7cnc1O.C5(C)(C)C6.C37=O.C48=O.CC9.N35.N46
|
C[C@@]1(C(=O)N2CCC[C@]3(CCCN3C(=O)c3nnc(O)nc3O)C2)CCCO1
|
C[C@@]C=O)NCCC[C@]CCCN5C=O)cnncO)nc6O))))))))))))C6)))))))CCCO5
|
[C][C@@][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@][Branch2][Ring1][#Branch1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][Ring2][Ring1][Ring2][C][C][C][O][Ring2][Ring1][O]
|
N14CCC[C@]2(CCCN25)C1.c17nnc(O)nc1O.C[C@@]16CCCO1.C46=O.C57=O
|
CCOC(=O)C(C)(C)C(=O)NCCCCCCN(C)C(=O)CC[C@H](C)CC
|
CCOC=O)CC)C)C=O)NCCCCCCNC)C=O)CC[C@H]C)CC
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][C][C]
|
C1(=O)C(C)(C)C2=O.C3(=O)CC[C@H](C)CC.C5CCCCC6.N36C.CC4.O14.N25
|
CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(CNC(=O)[C@H](C)CO)cn1
|
CCC)[C@@H]CNC)CCN6C=O)ccccCNC=O)[C@H]C)CO))))))cn6
|
[C][C][Branch1][C][C][C@@H1][C][N][Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][O][C][=N][Ring1][=C]
|
[C@@H]16CN(C)CCN12.c15ccc7cn1.C3(=O)[C@H](C)CO.CC6C.C25=O.C47.N34
|
CCN(CCNC(=O)C1(C(F)F)CCCC1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1
|
CCNCCNC=O)CCF)F))CCCC5)))))))))[C@H]C)C=O)NCCC[C@H]CN)=O))C6
|
[C][C][N][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][C][C][Ring1][Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2]
|
N13CCC[C@H]9C1.C18%10CCCC1.[C@@H]7(C)C3=O.N457.C5C6.C28=O.C%10(F)F.C9(N)=O.CC4.N26
|
C[C@]1(C(=O)NC[C@H]2CCN(C(=O)Cc3cnccc3C(F)(F)F)C2)COCCO1
|
C[C@]C=O)NC[C@H]CCNC=O)Cccnccc6CF)F)F))))))))))C5))))))))COCCO6
|
[C][C@][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][C][C][O][C][C][O][Ring2][Ring1][N]
|
C[C@]17COCCO1.c19cnccc1%10.[C@H]18CCN5C1.C5(=O)C9.C%10(F)(F)F.C47=O.N46.C68
|
C=CCCC[C@@H](NC(=O)C12CCC(CC1)N(C(=O)CCc1ccc[nH]1)C2)C1CC1
|
C=CCCC[C@@H]NC=O)CCCCCC6))NC=O)CCcccc[nH]5))))))))C6))))))))CCC3
|
[C][=C][C][C][C][C@@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][P][C][C][C][Ring1][Ring1]
|
C126CCC(CC1)N4C2.C=CCCC[C@@H]58.C4(=O)CC7.c17ccc[nH]1.C36=O.C18CC1.N35
|
C[C@@H](NC(=O)c1noc2c1CCCC2)[C@@H](CO)NC(=O)[C@@]1(C)CCN(C)C1=O
|
C[C@@H]NC=O)cnocc5CCCC6)))))))))))[C@@H]CO))NC=O)[C@@]C)CCNC)C5=O
|
[C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]
|
c17noc2c1CCCC2.[C@]18(C)CCN(C)C1=O.C[C@@H]5[C@H]6CO.C37=O.C48=O.N35.N46
|
CN(C(=O)CN1CC(C)(C)C1)C1CC(NC(=O)C[C@H]2CC3(CCCC3)CO2)C1
|
CNC=O)CNCCC)C)C4))))))CCCNC=O)C[C@H]CCCCCC5))))CO5))))))))C4
|
[C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][O][Ring1][=Branch2][C][Ring1][P]
|
[C@H]19CC2(CCCC2)CO1.N16CC(C)(C)C1.C17CC8C1.C4(=O)C6.C5(=O)C9.CN47.N58
|
O=C(C[C@H]1CC[C@H](NC(=O)c2ccc(I)cc2O)CC1)Nc1cc(F)cc(Cl)c1
|
O=CC[C@H]CC[C@H]NC=O)ccccI)cc6O)))))))))CC6)))))))NcccF)ccCl)c6
|
[O][=C][Branch2][Ring1][=C][C][C@H1][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][O][C][C][Ring1][P][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
c17ccc(I)cc1O.c15cc(F)cc(Cl)c1.[C@H]18CC[C@H]6CC1.O=C3C8.C47=O.N46.N35
|
C#C[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CN2C(=O)C=CC)CCN1C
|
C#C[C@@H]CNC=O)C[C@H]CCC)C)CN5C=O)C=CC)))))))))))CCN6C
|
[C][#C][C@@H1][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C@H1][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][C][C][N][Ring2][Ring1][Branch1][C]
|
C#C[C@@H]1CN3CCN1C.[C@H]16CC(C)(C)CN14.C3(=O)C6.C4(=O)C=5.C=5C
|
Nc1c(F)cc(F)cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](F)OC(F)(F)F)C1
|
NccF)ccF)cc6C=O)N[C@H]C[C@H]NC=O)[C@@H]F)OCF)F)F))))))C4
|
[N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][O][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C]
|
Nc1c7cc(F)cc1F.[C@H]15C[C@H]6C1.C3(=O)[C@H]4F.O4C(F)(F)F.C27=O.N25.N36
|
COc1cc(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CC2(OC)CCCCC2)n(C)n1
|
COcccC=O)N[C@H]CCOC[C@H]6NC=O)CCOC))CCCCC6)))))))))))))))))nC)n5
|
[C][O][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][O][C][C][C][C][C][C][Ring1][Branch2][N][Branch1][C][C][N][=Ring2][Ring1][O]
|
c16cc9n(C)n1.[C@H]17CCOC[C@H]18.C15%10CCCCC1.C4(=O)C%10.C39=O.CO6.N37.N48.O5C
|
CNC(=O)[C@H]([C@@H](OC)C1CCC1)N1CCC(c2cncc(C)c2)CC1
|
CNC=O)[C@H][C@@H]OC))CCCC4)))))NCCCccnccC)c6))))))CC6
|
[C][N][C][=Branch1][C][=O][C@H1][Branch1][N][C@@H1][Branch1][Ring1][O][C][C][C][C][C][Ring1][Ring2][N][C][C][C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=N]
|
C3(=O)[C@@H]5[C@@H]46.N15CCC7CC1.c17cncc(C)c1.C16CCC1.CN3.O4C
|
Cc1nc2c(s1)CCN(c1nc(=NC[C@H]3CC3(C)C)nc(N3CCOCC3)[nH]1)C2
|
Ccnccs5)CCNcnc=NC[C@H]CC3C)C))))))ncNCCOCC6))))))[nH]6))))))C6
|
[C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch2][Ring1][P][C][=N][C][=Branch1][N][=N][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][NH1][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
|
Cc1nc2c(s1)CCN4C2.c14nc(=NC6)nc5[nH]1.N15CCOCC1.[C@H]16CC1(C)C
|
Cc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3c[nH]nc3C(C)(C)C)C2)c1
|
CcccccC=O)NC)[C@H]CCCNC=O)cc[nH]nc5CC)C)C))))))))C6))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][=C][Ring2][Ring1][O]
|
Cc1cccc7c1.[C@H]16CCCN5C1.c18c[nH]nc19.C9(C)(C)C.C47=O.N46C.C58=O
|
C#C[C@H](NC(=O)[C@@H]([C@@H](C)CC)N(C)C(=O)C1CN(C(C)=O)C1)C1CCC1
|
C#C[C@H]NC=O)[C@@H][C@@H]C)CC)))NC)C=O)CCNCC)=O))C4)))))))))CCCC4
|
[C][#C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#Branch1][C][C][C][C][Ring1][Ring2]
|
C2(=O)[C@H]6[C@@H](C)CC.C17CN4C1.C#C[C@H]58.C18CCC1.N36C.C37=O.C4(C)=O.N25
|
CC(=O)Nc1cccc(C(=O)N2C[C@H]3[C@@H](NC(=O)[C@@]45CC[C@@H]4C5)CO[C@H]3C2)c1
|
CC=O)NcccccC=O)NC[C@H][C@@H]NC=O)[C@@]CC[C@@H]4C5)))))))CO[C@H]5C8)))))))))c6
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@][C][C][C@@H1][Ring1][Ring2][C][Ring1][Branch1][C][O][C@H1][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Branch2]
|
N17C[C@@H]2[C@H](C1)OC[C@@H]2%10.c19cccc%12c1.[C@@]12%11CC[C@@H]1C2.CC6=O.C7%12=O.C8%11=O.N69.N8%10
|
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