SMILES
stringlengths 6
120
| Deep SMILES
stringlengths 6
124
| SELFIES
stringlengths 18
409
| SAFE
stringlengths 9
126
|
|---|---|---|---|
COc1cscc1C(=O)NCC1CN(C(=O)[C@H]2CCCc3cccnc32)C1
|
COccscc5C=O)NCCCNC=O)[C@H]CCCccccnc6%10)))))))))))C4
|
[C][O][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][S]
|
C5(=O)C1CCCc2cccnc21.c16cscc18.C19CN5C1.C48=O.CO6.N47.C79
|
Nc1cc(O)cc(C(=O)N2CC[C@@H](NC(=O)c3csc(C4CC4)n3)C2)c1
|
NcccO)ccC=O)NCC[C@@H]NC=O)ccscCCC3)))n5)))))))C5))))))c6
|
[N][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][Ring1][S][=C][Ring2][Ring1][=Branch2]
|
Nc1cc9cc(O)c1.N15CCC7C1.c18csc%10n1.C59=O.C68=O.C1%10CC1.N67
|
CCOC[C@@H](C(=O)NCCc1ccncn1)n1cc(CCC(=O)N(C)C)nn1
|
CCOC[C@@H]C=O)NCCcccncn6))))))))))nccCCC=O)NC)C)))))nn5
|
[C][C][O][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=N][Ring1][=Branch1][N][C][=C][Branch1][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=N][Ring1][N]
|
C5C7C2=O.c18ccncn1.n17cc9nn1.C9CC3=O.C6C8.N3(C)C.CC4.O45.N26
|
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CCOC1)C2)[C@H]1COc2ccc(Br)cc21
|
O=CN[C@]CC[C@H]4CNC=O)C=CCOC5))))))C7))))))))[C@H]COccccBr)cc69
|
[O][=C][Branch2][Ring1][#Branch2][N][C@][C][C][C@H1][Ring1][Ring2][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][O][C][Ring1][Branch1][C][Ring1][=C][C@H1][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][#Branch2]
|
O=C3C1COc2ccc(Br)cc21.C125CCC1CN4C2.C4(=O)C1=CCOC1.N35
|
CC1=NOC(=O)[C@@H]1CC(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)nc(N(C)C)c2)C1
|
CC=NOC=O)[C@@H]5CC=O)N[C@@H]CCNC=O)cccCl)ncNC)C))c6)))))))C5
|
[C][C][=N][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][#Branch2][C][Ring1][P]
|
c17cc5nc(Cl)c1.CC1=NOC(=O)C18.C16CCN4C1.C8C3=O.C47=O.N5(C)C.N36
|
CN(CCc1cccc(F)c1)c1ccccc1S(=O)(=O)C(F)F
|
CNCCcccccF)c6))))))))cccccc6S=O)=O)CF)F
|
[C][N][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F]
|
c13ccccc1S(=O)(=O)C(F)F.c14cccc(F)c1.CN23.C2C4
|
CC(C)[C@@H]1CN(C(=O)[C@@H]2CCOCC23CCC3)CCN1C(=O)C#CC(C)(C)C
|
CCC)[C@@H]CNC=O)[C@@H]CCOCC6CCC4))))))))))CCN6C=O)C#CCC)C)C
|
[C][C][Branch1][C][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][C][C][N][Ring1][P][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][Branch1][C][C][C]
|
C16CCOCC12CCC2.C17CN4CCN15.C5(=O)C#CC(C)(C)C.CC7C.C46=O
|
CCOC1(CNC(=O)[C@H](O)CCC(C)C)CN(C(=O)c2onc3ccccc23)C1
|
CCOCCNC=O)[C@H]O)CCCC)C))))))))CNC=O)concccccc96))))))))))C4
|
[C][C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][N][=C][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2]
|
C4(=O)C(O)CCC(C)C.c19onc2ccccc12.C17%10CN5C1.C59=O.CC6.O67.C8%10.N48
|
O=C(NC[C@@]1(O)CCN(C(=O)c2ccc(Br)o2)C1)c1csc(S)n1
|
O=CNC[C@@]O)CCNC=O)ccccBr)o5))))))C5)))))))ccscS)n5
|
[O][=C][Branch2][Ring1][=N][N][C][C@@][Branch1][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][C][Ring1][=C][C][=C][S][C][Branch1][C][S][=N][Ring1][=Branch1]
|
C18(O)CCN4C1.c17ccc(Br)o1.c16csc(S)n1.O=C36.C47=O.N35.C58
|
CSCC(=O)NC[C@@H]1CN(C(=O)c2c(Cl)cc(Cl)cc2C(F)F)CCO1
|
CSCC=O)NC[C@@H]CNC=O)ccCl)ccCl)cc6CF)F)))))))))CCO6
|
[C][S][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Branch1][C][F][F][C][C][O][Ring2][Ring1][Ring1]
|
c17c9cc(Cl)cc1Cl.C18CN4CCO1.C6C3=O.C47=O.C9(F)F.CS6.N35.C58
|
O=S(=O)(CC1(CCl)CCC1)N1CCC[C@H]1Cn1cccn1
|
O=S=O)CCCCl))CCC4)))))NCCC[C@H]5Cncccn5
|
[O][=S][=Branch1][C][=O][Branch1][N][C][C][Branch1][Ring1][C][Cl][C][C][C][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=C][C][=N][Ring1][Branch1]
|
N12CCCC14.O=S2(=O)C5.C156CCC1.n13cccn1.C6Cl.C34
|
CCCSCC(=O)N1CC(O)(CN(C)C(=O)[C@@H]2C[C@H](C)O[C@H](C)C2)C1
|
CCCSCC=O)NCCO)CNC)C=O)[C@@H]C[C@H]C)O[C@H]C)C6)))))))))C4
|
[C][C][C][S][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
C18CC(C)OC(C)C1.N13CC9(O)C1.C7C3=O.CCC6.N45C.C48=O.S67.C59
|
COC1(C(=O)N2CCN(C(=O)[C@@H]3CSCCS3)[C@H](C3CC3)C2)CCCC1
|
COCC=O)NCCNC=O)[C@@H]CSCCS6)))))))[C@H]CCC3)))C6)))))))CCCC5
|
[C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][S][C][C][S][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][P][C][C][C][C][Ring2][Ring1][Branch2]
|
N14CCN5C9C1.C168CCCC1.C17CSCCS1.C48=O.C57=O.C19CC1.CO6
|
N=c1nnn(CC(=O)NCC2(CNC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CCC2)[nH]1
|
N=cnnnCC=O)NCCCNC=O)[C@@H]CCCNSN)=O)=O))C6)))))))))CCC4))))))))[nH]5
|
[N][=C][N][=N][N][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][C][Ring2][Ring1][C][NH1][Ring2][Ring1][N]
|
C18CCCN(S(N)(=O)=O)C1.N=c1nnn9[nH]1.C1%10%11CCC1.C9C4=O.C58=O.N46.C6%10.C7%11.N57
|
CCN(CC(=O)NC1CC2(CCCO2)C1)C(=O)CCc1nccs1
|
CCNCC=O)NCCCCCCO5))))C4)))))))C=O)CCcnccs5
|
[C][C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][=N][C][=C][S][Ring1][Branch1]
|
C17CC2(CCCO2)C1.C4(=O)CC8.c18nccs1.C6C3=O.N456.CC5.N37
|
CCOCCCCNc1cccc(C[S@@](=O)C(C)(C)C)c1
|
CCOCCCCNcccccC[S@@]=O)CC)C)C))))c6
|
[C][C][O][C][C][C][C][N][C][=C][C][=C][C][Branch1][=C][C][S@@][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N]
|
c15cccc6c1.C6S(=O)C(C)(C)C.C3CCC4.CC2.O23.N45
|
CCC[C@](C)(O)C(=O)NC[C@@H]1C[C@H]1CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1
|
CCC[C@]C)O)C=O)NC[C@@H]C[C@H]3CNC=O)CNS=O)=O)ccnC)cC)n5
|
[C][C][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][Branch1][C][C][=N][Ring1][#Branch1]
|
S7(=O)(=O)c1cn(C)c(C)n1.CCCC(C)(O)C2=O.C18CC19.C3(=O)C6.N24.C48.C59.N35.N67
|
O=C(NC[C@@H]1CN(C(=O)Cn2cccnc2=O)[C@H]2C[C@H]21)c1c(F)ccc(F)c1Cl
|
O=CNC[C@@H]CNC=O)Cncccnc6=O)))))))))[C@H]C[C@H]36))))))))ccF)cccF)c6Cl
|
[O][=C][Branch2][Ring1][=N][N][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][C@H1][C][C@H1][Ring1][Ring1][Ring1][S][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl]
|
c16c(F)ccc(F)c1Cl.C18CN4C2CC12.n17cccnc1=O.C4(=O)C7.O=C36.N35.C58
|
CCC1=NO[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)c2cccc(C#N)c2C)CC3)C1
|
CCC=NO[C@H]C=O)N[C@@H]CC3CCNC=O)cccccC#N))c6C))))))))CC6))))))))))C5
|
[C][C][C][=N][O][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][Ring1][Ring1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][C][Ring1][P][C][Ring2][Ring1][O]
|
C16CC12CCN5CC2.c18cccc(C#N)c1C.CCC1=NOC7C1.C47=O.C58=O.N46
|
CC[C@H]1CN([C@@H](C(=O)NCCOC)c2ccc3c(c2)CCCC3)CCCO1
|
CC[C@H]CN[C@@H]C=O)NCCOC))))))cccccc6)CCCC6))))))))))CCCO7
|
[C][C][C@H1][C][N][Branch2][Ring1][=N][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][O][Ring2][Ring1][=Branch2]
|
c19ccc2c(c1)CCCC2.C18CN6CCCO1.C69C4=O.C7C5.CC8.N47.O5C
|
Cc1cc(C)c(C(=O)NC[C@H]2CCN(C(=O)COCCCF)CCC2(F)F)s1
|
CcccC)cC=O)NC[C@H]CCNC=O)COCCCF)))))))CCC7F)F)))))))))))s5
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][O][C][C][C][F][C][C][C][Ring1][#C][Branch1][C][F][F][S][Ring2][Ring1][O]
|
C19CCN4CCC1(F)F.Cc1cc(C)c8s1.C4(=O)C5.C6CCF.C38=O.N37.C79.O56
|
CC(=O)NCCC(=O)N1C[C@@H](CNC(=O)c2cccc3c2OCCCO3)C[C@H]1C
|
CC=O)NCCC=O)NC[C@@H]CNC=O)cccccc6OCCCO7))))))))))))))C[C@H]5C
|
[C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][#Branch1][C][C@H1][Ring2][Ring1][Ring2][C]
|
c19cccc2c1OCCCO2.N15CC%10CC1C.C7CC5=O.CC4=O.C69=O.N47.C8%10.N68
|
C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cnc(C)nc2O)CC[C@H]1C(F)(F)F
|
C=C[C@]C)O)CC=O)N[C@@H]CNC=O)ccncC)nc6O))))))))CC[C@H]6CF)F)F
|
[C][=C][C@][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][C][C@H1][Ring1][S][C][Branch1][C][F][Branch1][C][F][F]
|
C=CC(C)(O)CC3=O.C15CN4CCC17.c16cnc(C)nc1O.C7(F)(F)F.C46=O.N35
|
CCCSCCC(=O)N1CCN(C(=O)C=C(C)C)[C@H](CCC)C1
|
CCCSCCC=O)NCCNC=O)C=CC)C))))[C@H]CCC)))C6
|
[C][C][C][S][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C@H1][Branch1][Ring2][C][C][C][C][Ring1][#C]
|
N12CCN3C7C1.C5CC2=O.C3(=O)C=6.CCC4.C=6(C)C.C7CC.S45
|
COCCCCCCNC(=O)C[C@@H](NC(=O)[C@@]1(C)C[C@H]2C=C[C@H]1C2)C1CC1
|
COCCCCCCNC=O)C[C@@H]NC=O)[C@@]C)C[C@H]C=C[C@H]6C5)))))))))CCC3
|
[C][O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C@H1][C][=C][C@H1][Ring1][#Branch1][C][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
C18(C)CC2C=CC1C2.C5CCCCC6.C3(=O)CC79.C48=O.C19CC1.CO5.N36.N47
|
CCC(C)(C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1-n1cnnn1
|
CCCC)C)C=O)NC[C@@H]CC[C@H]C7)N5C=O)csccc5-ncnnn5
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=N][N][=N][Ring1][Branch1]
|
N13CC2CCC(C1)N24.CCC(C)(C)C3=O.c15sccc16.n16cnnn1.C45=O
|
COc1ccnc(C(=O)N[C@H]2CCN(C(=O)c3ccnn3C(C)C)[C@H](C)C2)c1O
|
COcccncC=O)N[C@H]CCNC=O)cccnn5CC)C))))))))[C@H]C)C6))))))))c6O
|
[C][O][C][=C][C][=N][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
|
c16ccnc8c1O.C17CCN5C(C)C1.c19ccnn1%10.C48=O.C59=O.C%10(C)C.CO6.N47
|
C[C@@H](CN=c1ccnc(N2CCC3(CCc4ccccc43)CC2)[nH]1)N(C)C
|
C[C@@H]CN=cccncNCCCCCcccccc69))))))))CC6))))))[nH]6))))))))NC)C
|
[C][C@@H1][Branch2][Ring2][Branch1][C][N][=C][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][=C][NH1][Ring2][Ring1][Ring2][N][Branch1][C][C][C]
|
N16CCC2(CCc3ccccc32)CC1.CC5CN=c1ccnc6[nH]1.N5(C)C
|
C=C(C)CNC(=O)[C@H](c1cnc(C)[nH]1)N1CC[C@H]2[C@H](COC)[C@H]2C1
|
C=CC)CNC=O)[C@H]ccncC)[nH]5)))))NCC[C@H][C@H]COC)))[C@H]3C7
|
[C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][=C][N][=C][Branch1][C][C][NH1][Ring1][=Branch1][N][C][C][C@H1][C@H1][Branch1][Ring2][C][O][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2]
|
N16CCC2C8C2C1.c17cnc(C)[nH]1.C3(=O)C67.C=C(C)C5.N35.C48.O4C
|
C[C@@H](CC(C)(C)C)[C@H](F)C(=O)N1C[C@H]2C[C@@H](C1)[C@H]2C(=O)O
|
C[C@@H]CCC)C)C)))[C@H]F)C=O)NC[C@H]C[C@@H]C6)[C@H]4C=O)O
|
[C][C@@H1][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CC(CC(C)(C)C)C(F)C3=O.N13CC2CC(C1)C24.C4(=O)O
|
CC(C)(C)n1nnnc1[C@](C)(CC[C@H]1CC1(Cl)Cl)NCc1cc(C(F)(F)F)cs1
|
CCC)C)nnnnc5[C@]C)CC[C@H]CC3Cl)Cl))))))NCcccCF)F)F))cs5
|
[C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C@][Branch1][C][C][Branch1][N][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2]
|
n14nnnc15.C25(C)CC7.c16cc8cs1.C17CC1(Cl)Cl.CC4(C)C.C8(F)(F)F.N23.C36
|
O=S(=O)(Nc1cccc(-c2nnsc2Cl)c1)c1ccccc1Cn1cncn1
|
O=S=O)Nccccc-cnnsc5Cl))))))c6)))))))cccccc6Cncncn5
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][=N][S][C][=Ring1][Branch1][Cl][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][Ring1][Branch1]
|
O=S3(=O)c1ccccc16.c14cccc7c1.c17nnsc1Cl.n15cncn1.N34.C56
|
Cc1cccc(O[C@H](C)C(=O)NC[C@@H]2C[C@@H](O)CN2C(=O)CN=S(C)(C)=O)c1C
|
CcccccO[C@H]C)C=O)NC[C@@H]C[C@@H]O)CN5C=O)CN=SC)C)=O)))))))))))))))c6C
|
[C][C][=C][C][=C][C][Branch2][Ring2][Ring2][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][=S][Branch1][C][C][Branch1][C][C][=O][=C][Ring2][Ring1][O][C]
|
Cc1cccc6c1C.C4(=O)CN=S(C)(C)=O.C18CC(O)CN14.C5(C)C3=O.O56.N37.C78
|
CCn1nnnc1[C@H](NCCc1cccc(C)c1)c1c(OC)ccc(C)c1OC
|
CCnnnnc5[C@H]NCCcccccC)c6)))))))))ccOC))cccC)c6OC
|
[C][C][N][N][=N][N][=C][Ring1][Branch1][C@H1][Branch1][#C][N][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C]
|
c18c2ccc(C)c13.c19cccc(C)c1.n16nnnc17.C478.C5C9.CC6.N45.O2C.O3C
|
CC[C@@H](F)C(=O)NCc1ccc(CNC(=O)CCOC2CCCC2)cc1F
|
CC[C@@H]F)C=O)NCccccCNC=O)CCOCCCCC5)))))))))))cc6F
|
[C][C][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C][F]
|
c19ccc%10cc1F.CCC(F)C3=O.C4(=O)CC5.C16CCCC1.N37.C79.C8%10.N48.O56
|
CSCCCn1nnnc1[C@H](N[C@H](C)c1ccns1)c1nc(Br)sc1C
|
CSCCCnnnnc5[C@H]N[C@H]C)cccns5)))))))cncBr)sc5C
|
[C][S][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C@H1][Branch1][=N][N][C@H1][Branch1][C][C][C][=C][C][=N][S][Ring1][Branch1][C][N][=C][Branch1][C][Br][S][C][=Ring1][=Branch1][C]
|
c17nc(Br)sc1C.n15nnnc16.c18ccns1.C4CC5.C267.C38C.CS4.N23
|
CC=CC(=O)N1CCC[C@](CC)(C(=O)N(C)CC(=O)NC2CC2)C1
|
CC=CC=O)NCCC[C@]CC))C=O)NC)CC=O)NCCC3))))))))C6
|
[C][C][=C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][Ring1][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring1]
|
N13CCCC8%10C1.C=9C3=O.C6C5=O.C48=O.N46C.C17CC1.CC=9.C%10C.N57
|
Cc1c(C(=O)N2CC[C@H](NC(=O)C[C@H](C)C(F)F)[C@@H]2C)ccn1CCO
|
CccC=O)NCC[C@H]NC=O)C[C@H]C)CF)F))))))[C@@H]5C)))))))ccn5CCO
|
[C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][F][F][C@@H1][Ring1][=C][C][C][=C][N][Ring2][Ring1][=Branch1][C][C][O]
|
C4(=O)CC(C)C(F)F.Cc1c6ccn17.N13CCC5C1C.C36=O.C7CO.N45
|
O=C(N[C@@H]1CC[C@H]1NC(=O)c1cc(Cl)c(F)cc1O)c1cnc2ncccc2c1
|
O=CN[C@@H]CC[C@H]4NC=O)cccCl)cF)cc6O))))))))))))))ccncncccc6c%10
|
[O][=C][Branch2][Ring1][N][N][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][O][C][=C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
c17cnc2ncccc2c1.c18cc(Cl)c(F)cc1O.C15CCC16.O=C37.C48=O.N35.N46
|
O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)c1ccc(OC(F)(F)Cl)cc1
|
O=Ccccccc6)OCO5))))))))[C@@H]CCCN5C=O)ccccOCF)F)Cl)))cc6
|
[O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][Cl][C][=C][Ring1][O]
|
c16ccc2c(c1)OCO2.c17ccc4cc1.C15CCCN13.O4C(F)(F)Cl.O=C56.C37=O
|
CO[C@@H](C(=O)N1CCC[C@H]1c1ncc[nH]1)C1CN(C(=O)CC2(C)CCOCC2)C1
|
CO[C@@H]C=O)NCCC[C@H]5cncc[nH]5)))))))))))CCNC=O)CCC)CCOCC6))))))))C4
|
[C][O][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][NH1][Ring1][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][O][C][C][Ring1][#Branch1][C][Ring1][=C]
|
C17(C)CCOCC1.N13CCCC18.C56C3=O.c18ncc[nH]1.C16CN4C1.C4(=O)C7.CO5
|
COc1cc(OC)c(N)c(C(=O)N[C@@H]2CC[C@H]3CCN(C(=O)CCC(N)=O)[C@H]32)c1
|
COcccOC))cN)cC=O)N[C@@H]CC[C@H]CCNC=O)CCCN)=O)))))[C@H]58))))))))))c6
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][N][=O][C@H1][Ring1][N][Ring1][#C][=C][Ring2][Ring1][O]
|
c16cc7c(N)c9c1.C18CCC2CCN5C12.C5(=O)CCC(N)=O.C49=O.CO6.O7C.N48
|
CCC[C@H](C#N)C(=O)N1CC=C[C@@H](C(=O)NC[C@@](C)(CC)COC)C1
|
CCC[C@H]C#N))C=O)NCC=C[C@@H]C=O)NC[C@@]C)CC))COC)))))))C6
|
[C][C][C][C@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][=C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][Ring1][C][C][C][O][C][C][Ring1][P]
|
CCCC(C#N)C2=O.N12CC=CC6C1.C5C(C)(C4)CC.C36=O.N35.O4C
|
CC=CCCC(=O)N1CC[C@@H](NC(=O)CCc2nccs2)C(F)(F)CC1
|
CC=CCCC=O)NCC[C@@H]NC=O)CCcnccs5)))))))))CF)F)CC7
|
[C][C][=C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][C][C][Ring2][Ring1][Ring1]
|
N13CCC5C(F)(F)CC1.C=6CCC3=O.C4(=O)CC7.c17nccs1.CC=6.N45
|
CC1(C)CO[C@](C)(C(=O)O[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CO1
|
CCC)CO[C@]C)C=O)O[C@@H]CCNccccCl)cCl)c6))))))C5=O))))))))CO6
|
[C][C][Branch1][C][C][C][O][C@][Branch1][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C@@H1][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=N][=O][C][O][Ring2][Ring1][=Branch2]
|
CC1(C)COC6(C)CO1.c17ccc(Cl)c(Cl)c1.C15CCN7C1=O.C46=O.O45
|
O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2CCCN(C(=O)CC3CC=CC3)[C@@H]2C1
|
O=CccF)cccO)c6O)))))))NC[C@@H]CCCNC=O)CCCC=CC5)))))))[C@@H]6C9
|
[O][=C][Branch1][S][C][=C][Branch1][C][F][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][O][N][C][C@@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][=C][C][Ring1][Branch1][C@@H1][Ring1][=C][C][Ring1][P]
|
N14CC2CCCN5C2C1.c16c(F)ccc(O)c1O.C17CC=CC1.C5(=O)C7.O=C46
|
CCCN(C(=O)CCCCC(F)(F)F)C1CCN(C(=O)C[C@@H]2CSCCO2)CC1
|
CCCNC=O)CCCCCF)F)F)))))))CCCNC=O)C[C@@H]CSCCO6))))))))CC6
|
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@@H1][C][S][C][C][O][Ring1][=Branch1][C][C][Ring1][#C]
|
C3(=O)CCCCC(F)(F)F.C16CCN4CC1.C17CSCCO1.C4(=O)C7.CCC5.N356
|
NS(=O)(=O)CCCCN=c1[nH]c(N2CCCC(F)(F)C2)nc2ccsc12
|
NS=O)=O)CCCCN=c[nH]cNCCCCF)F)C6))))))ncccsc95
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][N][=C][NH1][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][=N][C][C][=C][S][C][Ring1][P][=Ring1][Branch1]
|
NS(=O)(=O)CCCCN=c1[nH]c3nc2ccsc12.N13CCCC(F)(F)C1
|
CC(C)n1cnnc1SCC(=O)NC[C@@H]1CN(C(=O)c2cc(O)ncn2)[C@@H]2C[C@@H]12
|
CCC)ncnnc5SCC=O)NC[C@@H]CNC=O)cccO)ncn6)))))))[C@@H]C[C@@H]63
|
[C][C][Branch1][C][C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][=N][Ring1][#Branch1][C@@H1][C][C@@H1][Ring1][#C][Ring1][Ring1]
|
C19CN4C2CC12.c17cc(O)ncn1.n18cnnc1%10.C6C3=O.CC8C.C47=O.S6%10.N35.C59
|
CCC[C@H](NC(=O)CN1C(=O)CNC1=O)[C@H](O)C(=O)N[C@H]1CCC[C@@H]1C#N
|
CCC[C@H]NC=O)CNC=O)CNC5=O)))))))))[C@H]O)C=O)N[C@H]CCC[C@@H]5C#N
|
[C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][#N]
|
CCCC4C(O)C3=O.N16C(=O)CNC1=O.C15CCCC1C#N.C2(=O)C6.N24.N35
|
Cc1ccc(CC(=O)NC2CCC(C)(NC(=O)[C@@]34C[C@H]3COC4(C)C)CC2)s1
|
CccccCC=O)NCCCCC)NC=O)[C@@]C[C@H]3COC6C)C)))))))))CC6)))))))))s5
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@][C][C@H1][Ring1][Ring1][C][O][C][Ring1][=Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][C][S][Ring2][Ring1][O]
|
C18CCC7(C)CC1.C129CC1COC2(C)C.Cc1ccc%10s1.C%10C5=O.C69=O.N58.N67
|
C=CCCCC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)[C@H]2CCCCN2C(C)=O)C1
|
C=CCCCC=O)NC[C@@H]CCO[C@]5CNC=O)[C@H]CCCCN6CC)=O)))))))))))C8
|
[C][=C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][O][C@][Ring1][Branch1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O][C][Ring2][Ring1][Branch1]
|
N13CC2CCOC28C1.C=CCCCC3=O.C17CCCCN15.C47=O.C5(C)=O.C68.N46
|
O=C(CCc1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)nnc2O)[C@H](CO)C1
|
O=CCCcccccc6Cl)))))))))NCCNC=O)cccCl)nnc6O))))))))[C@H]CO))C6
|
[O][=C][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][O][C@H1][Branch1][Ring1][C][O][C][Ring2][Ring1][C]
|
N13CCN4C6C1.c15cc(Cl)nnc1O.c17ccccc1Cl.O=C3CC7.C45=O.C6O
|
O=C(N=c1cc(C2CC2)[nH][nH]1)c1ccc2[nH]nc(-c3ccc(O)cc3)c2c1
|
O=CN=cccCCC3)))[nH][nH]5))))))cccc[nH]nc-ccccO)cc6))))))c5c9
|
[O][=C][Branch1][S][N][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][NH1][Ring1][Branch2][C][=C][C][=C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][N][=C][Ring1][S]
|
c14ccc2[nH]nc6c2c1.O=C4N=c1cc5[nH][nH]1.c16ccc(O)cc1.C15CC1
|
CC[C@@H](C)C(=O)NCC(=O)NC[C@H]1C=CCN1C(=O)c1cc2c(cn1)OCCC2
|
CC[C@@H]C)C=O)NCC=O)NC[C@H]C=CCN5C=O)cccccn6))OCCC6
|
[C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@H1][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][O][C][C][C][Ring1][Branch2]
|
c18cc2c(cn1)OCCC2.CCC(C)C3=O.C19C=CCN15.C6C4=O.C58=O.N36.N47.C79
|
Cc1nc2ccc(C(=O)N3C[C@H](C)N(C(=O)[C@@H](C)O)[C@H](C)C3)cc2[nH]1
|
CcnccccC=O)NC[C@H]C)NC=O)[C@@H]C)O)))[C@H]C)C6)))))))cc6[nH]9
|
[C][C][=N][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2]
|
Cc1nc2ccc6cc2[nH]1.N14CC(C)N5C(C)C1.C5(=O)C(C)O.C46=O
|
COc1cc(Cl)cc(C(=O)N[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]2O)c1
|
COcccCl)ccC=O)N[C@H]CCNC=O)CSC)=O)=O))))C[C@@H]6O)))))))))c6
|
[C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C@@H1][Ring1][=N][O][=C][Ring2][Ring1][Branch2]
|
c15cc7cc(Cl)c1.C16CCN4CC1O.C4(=O)CS(C)(=O)=O.C37=O.CO5.N36
|
C=C[C@@H](C)CC(=O)N[C@H]1C[C@H](CNC(=O)Cn2nnc(=O)[nH]2)C1
|
C=C[C@@H]C)CC=O)N[C@H]C[C@H]CNC=O)Cnnnc=O)[nH]5)))))))))C4
|
[C][=C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][Ring1][#C]
|
C=CC(C)CC3=O.n17nnc(=O)[nH]1.C16CC8C1.C4(=O)C7.N36.C58.N45
|
CCC[C@H](CNC(=O)Cc1nc(C)c(C)[nH]1)NC(=O)COCc1ccccn1
|
CCC[C@H]CNC=O)CcncC)cC)[nH]5)))))))))NC=O)COCcccccn6
|
[C][C][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][NH1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
c18nc(C)c(C)[nH]1.CCCC6C7.c19ccccn1.C2(=O)C8.C3(=O)C4.N27.N36.O45.C59
|
Cc1nsc(N)c1C(=O)N1CC(CNC(=O)c2cnc3c(c2)nnn3C)C1
|
CcnscN)c5C=O)NCCCNC=O)ccnccc6)nnn5C))))))))))))C4
|
[C][C][=N][S][C][Branch1][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
c18cnc2c(c1)nnn2C.Cc1nsc(N)c17.N14CC9C1.C47=O.C58=O.C69.N56
|
C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)C(C)(C)NC(=O)c1ccc(F)cc1N
|
C[C@H]NC=O)ccc-cccco5)))))[nH]n5)))))))CC)C)NC=O)ccccF)cc6N
|
[C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][N][=Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N]
|
c18ccc(F)cc1N.CC5C6(C)C.c17cc9[nH]n1.c19ccco1.C37=O.C48=O.N35.N46
|
O=C(c1cc(F)c(F)c(F)c1)N1CC[C@H](c2cn(-c3cncc(Br)c3)nn2)C1
|
O=CcccF)cF)cF)c6))))))NCC[C@H]ccn-ccnccBr)c6))))))nn5)))))C5
|
[O][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][N][C][C][C@H1][Branch2][Ring1][Branch1][C][=C][N][Branch1][N][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=N][Ring1][N][C][Ring1][P]
|
c15cc(F)c(F)c(F)c1.c16cncc(Br)c1.N14CCC7C1.c17cn6nn1.O=C45
|
CC[C@H](C)C(=O)NCC(=O)N[C@H](CC)CC(=O)NCC(C)(C)C
|
CC[C@H]C)C=O)NCC=O)N[C@H]CC))CC=O)NCCC)C)C
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C]
|
C5(CC)CC3=O.CCC(C)C1=O.C6C(C)(C)C.C4C2=O.N14.N25.N36
|
CSCCCC(=O)N1C[C@@H](C)N(C(=O)c2ccc3cccc(Cl)c3n2)C[C@@H]1C
|
CSCCCC=O)NC[C@@H]C)NC=O)ccccccccCl)c6n%10)))))))))))C[C@@H]6C
|
[C][S][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring1][O][C][C@@H1][Ring2][Ring1][Ring2][C]
|
c17ccc2cccc(Cl)c2n1.N14CC(C)N5CC1C.C6CCC4=O.C57=O.CS6
|
CCOC(=O)CS(=O)(=O)N1CCC(F)(C(=O)Nc2ccc3c(c2)C(=O)OC3)CC1
|
CCOC=O)CS=O)=O)NCCCF)C=O)Ncccccc6)C=O)OC5))))))))))CC6
|
[C][C][O][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2]
|
c18ccc2c(c1)C(=O)OC2.N17CCC9(F)CC1.C4(=O)CS7(=O)=O.C59=O.CC6.O46.N58
|
CSc1cc(C)c(C(=O)N(C)CCCN(C)C(=O)[C@]2(Cl)CC23CCC3)o1
|
CScccC)cC=O)NC)CCCNC)C=O)[C@]Cl)CC3CCC4)))))))))))))o5
|
[C][S][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C][Cl][C][C][Ring1][Ring2][C][C][C][Ring1][Ring2][O][Ring2][Ring1][Branch2]
|
c1%10cc(C)c8o1.C19(Cl)CC12CCC2.C6CC7.C48=O.N46C.N57C.C59=O.CS%10
|
C=C(CCNC(=O)c1c(C)noc1C(C)C)CNC(=O)C[C@H]1CCO[C@@H](CC)C1
|
C=CCCNC=O)ccC)noc5CC)C)))))))))))CNC=O)C[C@H]CCO[C@@H]CC))C6
|
[C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][O][C@@H1][Branch1][Ring1][C][C][C][Ring1][Branch2]
|
c16c(C)noc18.C19CCOC7C1.C=C(C5)CC4.C3(=O)C9.C26=O.C8(C)C.N24.N35.C7C
|
CC=C[C@H](O)C(=O)N1CC[C@H](CNC(=O)C(=O)C2CCOCC2)[C@@H](C)C1
|
CC=C[C@H]O)C=O)NCC[C@H]CNC=O)C=O)CCCOCC6))))))))))[C@@H]C)C6
|
[C][C][=C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13CCC8C(C)C1.C=7C(O)C3=O.C16CCOCC1.C4(=O)C6=O.CC=7.C58.N45
|
CCOC(=O)c1cc(Br)ncc1N[C@@H]1COC2(COC2)C1
|
CCOC=O)cccBr)ncc6N[C@@H]COCCOC4)))C5
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][C][=C][Ring1][#Branch1][N][C@@H1][C][O][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][Branch2]
|
c17cc(Br)ncc15.C16COC2(COC2)C1.C37=O.CC4.O34.N56
|
CCC=CC(=O)NCCNC(=O)C1(COC)CC1
|
CCC=CC=O)NCCNC=O)CCOC)))CC3
|
[C][C][C][=C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][O][C][C][C][Ring1][=Branch1]
|
C=8C2=O.C179CC1.CCC=8.C5C6.C37=O.N25.N36.C49.O4C
|
O=C1C[C@H](C(=O)NC2([C@@H]3CCCN(C(=O)C=Cc4ccco4)C3)CC2)CN1
|
O=CC[C@H]C=O)NC[C@@H]CCCNC=O)C=Ccccco5))))))))C6))))))CC3)))))CN5
|
[O][=C][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch2][C@@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C][C][C][Ring2][Ring1][C][C][N][Ring2][Ring1][#Branch2]
|
C17(C2CCCN6C2)CC1.O=C1CC8CN1.C=9c1ccco1.C6(=O)C=9.C58=O.N57
|
CCCN(CCN=c1[nH]c(=NCc2nc(Br)n[nH]2)[nH]c2c1COC2)C(C)C
|
CCCNCCN=c[nH]c=NCcncBr)n[nH]5)))))))[nH]cc6COC5))))))))))))CC)C
|
[C][C][C][N][Branch2][Ring1][#C][C][C][N][=C][NH1][C][=Branch1][=N][=N][C][C][=N][C][Branch1][C][Br][=N][NH1][Ring1][=Branch1][NH1][C][=C][Ring1][=C][C][O][C][Ring1][Branch1][C][Branch1][C][C][C]
|
C4CN=c1[nH]c(=NC6)[nH]c2c1COC2.c16nc(Br)n[nH]1.CCC3.N345.C5(C)C
|
C[C@H](CC(=O)N[C@H]1C[C@@H](CCC(=O)Nc2ccc3c[nH]nc3c2)C1)CN(C)C
|
C[C@H]CC=O)N[C@H]C[C@@H]CCC=O)Nccccc[nH]nc5c9)))))))))))))C4)))))))CNC)C
|
[C][C@H1][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][Ring2][Ring1][C][C][N][Branch1][C][C][C]
|
c17ccc2c[nH]nc2c1.CC(C6)CC4=O.C18CC9C1.C9CC5=O.N6(C)C.N48.N57
|
Cc1ccn(C)c1C(=O)N[C@@H]1C=C[C@H](CNC(=O)C(C)(C)[C@@H]2CCCN(C)C2)C1
|
CcccnC)c5C=O)N[C@@H]C=C[C@H]CNC=O)CC)C)[C@@H]CCCNC)C6))))))))))C5
|
[C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][=C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][Ring1]
|
Cc1ccn(C)c17.C19CCCN(C)C1.C16C=CC8C1.C4(=O)C9(C)C.C37=O.N36.C58.N45
|
CCCCSCCC(=O)Nc1ccc(NC(=O)CCOC2CCCCC2)cc1C
|
CCCCSCCC=O)NccccNC=O)CCOCCCCCC6)))))))))))cc6C
|
[C][C][C][C][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C]
|
c19ccc%10cc1C.C16CCCCC1.C8CC3=O.C4(=O)CC5.CCCC7.S78.N39.N4%10.O56
|
CCCC[C@@H](C(=O)N1CC2(CC[C@H]2NC(=O)COc2ccc(Cl)cc2)C1)N(C)C
|
CCCC[C@@H]C=O)NCCCC[C@H]4NC=O)COccccCl)cc6)))))))))))))C4)))))NC)C
|
[C][C][C][C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][N][Branch1][C][C][C]
|
CCCCC7C3=O.N13CC2(CCC28)C1.c16ccc(Cl)cc1.C4(=O)C5.N7(C)C.N48.O56
|
CCCCCCC[C@H](O)CCC(=O)N[C@H](COCC)C(=O)O
|
CCCCCCC[C@H]O)CCC=O)N[C@H]COCC))))C=O)O
|
[C][C][C][C][C][C][C][C@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Branch1][C][O][C][C][C][=Branch1][C][=O][O]
|
CCCCCCCC(O)CCC1=O.C4(C2)C(=O)O.N14.O23.C3C
|
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)c2cc(F)cc(N)c2F)[C@@H]1C
|
C[C@@H][C@H]C=O)NCC[C@H][C@@H]C6)NC=O)CN6C=O)cccF)ccN)c6F))))))))))))))))))[C@@H]3C
|
[C][C@@H1][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][N][=C][Ring1][Branch2][F][C@@H1][Ring2][Ring1][O][C]
|
N14CCC2C(C1)NC(=O)CN25.c17cc(F)cc(N)c1F.CC1C6C1C.C46=O.C57=O
|
CN(C[C@@H]1CCCN(C(=O)Cc2ccc(F)cn2)C1)C(=O)C#CC(C)(C)C
|
CNC[C@@H]CCCNC=O)CccccF)cn6))))))))C6)))))))C=O)C#CCC)C)C
|
[C][N][Branch2][Ring1][N][C][C@@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][Ring1][S][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][Branch1][C][C][C]
|
C4(=O)C#CC(C)(C)C.C17CCCN3C1.c16ccc(F)cn1.C3(=O)C6.CN45.C57
|
CCCCCc1cc(C(=O)N2C[C@@H](NC(=O)[C@H](C)CCC)CC2(C)C)n[nH]1
|
CCCCCcccC=O)NC[C@@H]NC=O)[C@H]C)CCC))))))CC5C)C)))))))n[nH]5
|
[C][C][C][C][C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][C][C][Ring1][=N][Branch1][C][C][C][=N][NH1][Ring2][Ring1][=Branch1]
|
N13CC5CC1(C)C.C4(=O)C(C)CCC.c17cc6n[nH]1.CCCCC7.C36=O.N45
|
COc1cccc(CC(=O)N(C)[C@@H]2CCC[C@H](NC(=O)C(F)F)C2)c1F
|
COcccccCC=O)NC)[C@@H]CCC[C@H]NC=O)CF)F))))C6)))))))))c6F
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][C][C@H1][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][F][F][C][Ring1][N][=C][Ring2][Ring1][#Branch1][F]
|
c15cccc8c1F.C16CCCC7C1.C4(=O)C(F)F.C8C3=O.N36C.CO5.N47
|
Cc1cc(C(=O)NC[C@@]2(NC(=O)C[C@H](O)CC(C)C)CCOC2)cn(C)c1=O
|
CcccC=O)NC[C@@]NC=O)C[C@H]O)CCC)C)))))))CCOC5))))))))cnC)c6=O
|
[C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@][Branch1][P][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][C][Branch1][C][C][C][C][C][O][C][Ring1][#C][=C][N][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O]
|
Cc1cc7cn(C)c1=O.C4(=O)CC(O)CC(C)C.C168CCOC1.C37=O.N35.C58.N46
|
CC(=CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)c1ccc(N3CCC3)nc1)C2)C(C)(C)C
|
CC=CC=O)N[C@@H]C[C@@H]C[C@H]5NC=O)ccccNCCC4))))nc6)))))))C5))))))))))CC)C)C
|
[C][C][=Branch2][Ring2][=Branch2][=C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][C][C@H1][Ring1][Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][N][=C][Ring1][#Branch2][C][Ring1][P][C][Branch1][C][C][Branch1][C][C][C]
|
C17CC2CC1N5C2.c18ccc6nc1.CC=9C(C)(C)C.C=9C4=O.N16CCC1.C58=O.N47
|
COCC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H](F)n1ccnc1
|
COCC=O)NC)CC=O)N[C@@H]CCCC[C@@H]6NC=O)[C@H]F)nccnc5
|
[C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][F][N][C][=C][N][=C][Ring1][Branch1]
|
C17CCCCC18.C4(=O)C9F.n19ccnc1.C5C2=O.C6C3=O.N26C.CO5.N37.N48
|
CO[C@H](C)C(=O)N1CCCN(C(=O)c2cncc3c2CCNC3=O)C[C@@H]1C(C)C
|
CO[C@H]C)C=O)NCCCNC=O)ccnccc6CCNC6=O))))))))))))C[C@@H]7CC)C
|
[C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][=O][C][C@@H1][Ring2][Ring1][Ring2][C][Branch1][C][C][C]
|
c17cncc2c1CCNC2=O.N14CCCN5CC18.C6(C)C4=O.C57=O.C8(C)C.CO6
|
CC(C)N(CCNC(=O)[C@H](C)CNC(=O)C=Cc1cocn1)C(C)C
|
CCC)NCCNC=O)[C@H]C)CNC=O)C=Cccocn5)))))))))))))))CC)C
|
[C][C][Branch1][C][C][N][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][C][=N][Ring1][Branch1][C][Branch1][C][C][C]
|
C2(=O)C(C)C7.C=9c1cocn1.C3(=O)C=9.CC4C.N458.C5C6.C8(C)C.N26.N37
|
C#C[C@H]1CC[C@H](C(=O)N2C[C@H](NC(=O)CN(C)[C@@H]3CCSC3)C(C)(C)C2)CC1
|
C#C[C@H]CC[C@H]C=O)NC[C@H]NC=O)CNC)[C@@H]CCSC5)))))))))CC)C)C5))))))CC6
|
[C][#C][C@H1][C][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C@@H1][C][C][S][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2]
|
C#CC1CCC9CC1.N14CC7C(C)(C)C1.C18CCSC1.C5(=O)C6.C49=O.N68C.N57
|
C#CCn1cccc1C(=O)N[C@H](C(=O)NC[C@@H]1CCCCN(C)C1)C1CC1
|
C#CCncccc5C=O)N[C@H]C=O)NC[C@@H]CCCCNC)C7))))))))))CCC3
|
[C][#C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][N][Branch1][C][C][C][Ring1][Branch2][C][C][C][Ring1][Ring1]
|
C19CCCCN(C)C1.n17cccc16.C48C3=O.C#CC7.C26=O.C18CC1.N24.N35.C59
|
Cc1cc(C(=O)N2CC[C@@](CF)(NC(=O)c3ccn4nccc4n3)C2)[nH]c1C
|
CcccC=O)NCC[C@@]CF))NC=O)cccnnccc5n9)))))))))))C5))))))[nH]c5C
|
[C][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring1][C][F][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][N][=C][C][=C][Ring1][Branch1][N][=Ring1][=Branch2][C][Ring2][Ring1][Ring1][NH1][C][=Ring2][Ring1][#Branch2][C]
|
c19ccn2nccc2n1.Cc1cc8[nH]c1C.N15CCC7%10C1.C58=O.C69=O.C%10F.N67
|
NC(=O)CSCC(=O)NC1(C2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1
|
NC=O)CSCC=O)NCCCNC=O)COcccc[N+]=O)[O-]))cc6)))))))))C4))))CC3
|
[N][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][P][C][C][Ring2][Ring1][Ring2]
|
c17ccc([N+](=O)[O-])cc1.C18(C2CN5C2)CC1.NC(=O)C9.C%10C4=O.C5(=O)C6.S9%10.N48.O67
|
Cc1nc2n(n1)C[C@H](C(=O)NCC[C@@H](NC(=O)c1ccc(=N)[nH]n1)C(C)C)CC2
|
Ccncnn5)C[C@H]C=O)NCC[C@@H]NC=O)cccc=N)[nH]n6))))))))CC)C)))))))CC6
|
[C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=N][NH1][N][=Ring1][#Branch1][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch2]
|
Cc1nc2n(n1)CC8CC2.C5CC6C(C)C.c17ccc(=N)[nH]n1.C38=O.C47=O.N35.N46
|
CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1)C(=O)CCC#Cc1ccccc1
|
CNC[C@@H]CCCNC=O)[C@@H]CC3CC3))))))C6)))))))C=O)CCC#Ccccccc6
|
[C][N][Branch2][Ring1][=Branch2][C][C@@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][Ring1][Ring1][C][Ring1][=N][C][=Branch1][C][=O][C][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C5(=O)CCC#Cc1ccccc1.C18CCCN4C1.C17CC12CC2.CN56.C47=O.C68
|
CCOC=CC(=O)N[C@@]12CCN(C(=O)C3(N4CCOCC4)CC3)C[C@H]1C2
|
CCOC=CC=O)N[C@@]CCNC=O)CNCCOCC6))))))CC3))))C[C@H]6C7
|
[C][C][O][C][=C][C][=Branch1][C][=O][N][C@@][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][C@H1][Ring1][P][C][Ring2][Ring1][C]
|
C129CCN6CC1C2.O7C=CC5=O.N18CCOCC1.C18%10CC1.C6%10=O.CC7.N59
|
Cc1nc(CN[C@H]2CCN(C(=O)c3ccc4c(c3)nc(O)n4C)C[C@H]2C)c(C)s1
|
CcncCN[C@H]CCNC=O)cccccc6)ncO)n5C))))))))))C[C@H]6C)))))))))cC)s5
|
[C][C][=N][C][Branch2][Ring2][#Branch1][C][N][C@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][O][N][Ring1][#Branch1][C][C][C@H1][Ring2][Ring1][Ring1][C][=C][Branch1][C][C][S][Ring2][Ring1][N]
|
c18ccc2c(c1)nc(O)n2C.C17CCN5CC1C.Cc1nc9c(C)s1.C58=O.C69.N67
|
CCCN(CC(F)(F)F)[C@H](C(=O)NCCCSC)c1cnc(C)cc1OC
|
CCCNCCF)F)F)))[C@H]C=O)NCCCSC)))))))ccncC)cc6OC
|
[C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C@H1][Branch1][O][C][=Branch1][C][=O][N][C][C][C][S][C][C][=C][N][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C]
|
c19cnc(C)cc13.C5C(F)(F)F.C69C2=O.C7CC8.CCC4.N456.N27.S8C.O3C
|
CCc1cnoc1C(=O)N1CC[C@H](CNC(=O)CCOC)C[C@H]1C
|
CCccnoc5C=O)NCC[C@H]CNC=O)CCOC)))))))C[C@H]6C
|
[C][C][C][C][=N][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][O][C][N][C][=Branch1][C][=O][C][C][O][C][C][C@H1][Ring1][=C][C]
|
N12CCC7CC1C.c18cnoc16.C3(=O)CC4.C26=O.CC8.C57.N35.O4C
|
CSc1ccc2cc(C(=O)N(C)[C@@H]3CCN(C(=O)C=C[S@@](C)=O)C3)[nH]c2c1
|
CSccccccC=O)NC)[C@@H]CCNC=O)C=C[S@@]C)=O)))))C5)))))))[nH]c5c9
|
[C][S][C][=C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S@@][Branch1][C][C][=O][C][Ring1][N][NH1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
c18ccc2cc7[nH]c2c1.C5(=O)C=CS(C)=O.C16CCN5C1.C47=O.N46C.CS8
|
O=C(NCCCc1nc[nH]n1)[C@H]1CC2(CCC2)CN1C(=O)C[C@@H]1CCCSC1
|
O=CNCCCcnc[nH]n5)))))))))[C@H]CCCCC4)))CN5C=O)C[C@@H]CCCSC6
|
[O][=C][Branch1][N][N][C][C][C][C][N][=C][NH1][N][=Ring1][Branch1][C@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][C@@H1][C][C][C][S][C][Ring1][=Branch1]
|
C16CC2(CCC2)CN14.C18CCCSC1.c17nc[nH]n1.C5CC7.C4(=O)C8.O=C36.N35
|
CC(=CC(=O)N1CC2CCC1CN2C(=O)C(C)OCC1=CC=CC(C)=C1)C1CC1
|
CC=CC=O)NCCCCC6CN6C=O)CC)OCC=CC=CCC)=C6))))))))))))))))))))CCC3
|
[C][C][=Branch2][Ring2][#Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
N13CC2CCC1CN24.c18cccc(C)c1.CC=7C1CC1.C4(=O)C5C.C=7C3=O.O56.C68
|
CCCC[C@@H](C)C(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2c1ncnc2c(Cl)cc(Cl)cc12
|
CCCC[C@@H]C)C=O)NC[C@@H]C[C@H]CC[C@H]6N5cncnccCl)ccCl)cc%106
|
[C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][Branch2]
|
c15ncnc2c(Cl)cc(Cl)cc12.CCCCC(C)C3=O.C16CC2CCC1N25.N34.C46
|