SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
COCCOCCC(=O)N[C@@H]1C[C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)C[C@@H]21
|
COCCOCCC=O)N[C@@H]C[C@@H]CNC=O)cccncCCC3)))c6)))))))C[C@@H]57
|
[C][O][C][C][O][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=Branch2][C][C@@H1][Ring1][S][Ring2][Ring1][C]
|
[C@@H]1%10C[C@@H]2CN6C[C@@H]21.c1%11ccnc%12c1.C9CC5=O.C7C8.C6%11=O.C1%12CC1.CO7.O89.N5%10
|
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1[C@H]2CCNC[C@H]1CC2
|
O=CNCCNS=O)=O)cccc[N+]=O)[O-]))cc6)))))))))))N[C@H]CCNC[C@H]7CC8
|
[O][=C][Branch2][Ring1][O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C@H1][C][C][N][C][C@H1][Ring1][#Branch1][C][C][Ring1][Branch2]
|
S7(=O)(=O)c1ccc([N+](=O)[O-])cc1.N14[C@H]2CCNC[C@H]1CC2.O=C34.C5C6.N35.N67
|
CCSCC(=O)NCC1CC(NC(=O)c2ncnc(O)c2Br)C1
|
CCSCC=O)NCCCCNC=O)cncncO)c6Br)))))))))C4
|
[C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][Br][C][Ring1][#C]
|
c19ncnc(O)c1Br.C1%10CC8C1.C7C3=O.C49=O.CC6.S67.N35.C5%10.N48
|
CC1=C(C(=O)N2CC[C@@H]2C(=O)N(C)C[C@@H]2OCCC2(C)C)CCCO1
|
CC=CC=O)NCC[C@@H]4C=O)NC)C[C@@H]OCCC5C)C))))))))))))))CCCO6
|
[C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][O][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][C][C][O][Ring2][Ring1][Branch2]
|
CC1=C(C3=O)CCCO1.[C@@H]17OCCC1(C)C.N13CC[C@@H]16.C46=O.N45C.C57
|
CON=CC(=O)N[C@@H]1C[C@H]1CNC(=O)c1[nH][nH]c(=N)c1-c1ccccc1
|
CON=CC=O)N[C@@H]C[C@H]3CNC=O)c[nH][nH]c=N)c5-cccccc6
|
[C][O][N][=C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][NH1][NH1][C][=Branch1][C][=N][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c16[nH][nH]c(=N)c18.CON=CC2=O.c18ccccc1.[C@@H]15C[C@H]17.C36=O.N25.C47.N34
|
C[C@H](C(=O)N1CC([C@H]2CCCN(C(=O)C3(CF)CC3)C2)C1)n1ccc(Br)n1
|
C[C@H]C=O)NCC[C@H]CCCNC=O)CCF))CC3))))C6))))))C4)))))ncccBr)n5
|
[C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][Ring1][C][F][C][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][P][N][C][=C][C][Branch1][C][Br][=N][Ring1][=Branch1]
|
N14CC([C@H]2CCCN5C2)C1.n17ccc(Br)n1.C[C@@H]7C4=O.C168CC1.C56=O.C8F
|
C[C@@H](O)CN(CCNC(=O)C1=CCOCC1)C(=O)c1ccc(C(C)(F)F)nc1
|
C[C@@H]O)CNCCNC=O)C=CCOCC6))))))))))C=O)ccccCC)F)F))nc6
|
[C][C@@H1][Branch1][C][O][C][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][N][=C][Ring1][#Branch2]
|
C2(=O)C1=CCOCC1.c17ccc8nc1.C[C@@H](O)C4.C8(C)(F)F.N345.C5C6.C37=O.N26
|
CC(C)COCCC(=O)N(CCF)[C@@H]1CCCN(C(=O)[C@H](C)n2ccnc2)C1
|
CCC)COCCC=O)NCCF)))[C@@H]CCCNC=O)[C@H]C)nccnc5)))))))C6
|
[C][C][Branch1][C][C][C][O][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][F][C@@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][#C]
|
[C@@H]18CCCN4C1.C6CC3=O.C4(=O)[C@@H]9C.n19ccnc1.CC(C)C5.N378.C7CF.O56
|
CCC[C@@H](C(=O)N1CC(CO)(NC(=O)c2coc3c(Cl)cccc23)C1)C(C)C
|
CCC[C@@H]C=O)NCCCO))NC=O)ccoccCl)cccc96)))))))))))C4)))))CC)C
|
[C][C][C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][Branch1][C][C][C]
|
c17coc2c(Cl)cccc12.CCC[C@@H](C4=O)C(C)C.N14CC68C1.C57=O.C8O.N56
|
COC[C@]1(C)CCCN1C(=O)C[C@H]1C[C@H]1CNC(=O)Cc1ccc(C#N)cc1
|
COC[C@]C)CCCN5C=O)C[C@H]C[C@H]3CNC=O)CccccC#N))cc6
|
[C][O][C][C@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
c19ccc(C#N)cc1.[C@@]16(C)CCCN12.C2(=O)C7.[C@H]17C[C@H]18.C3(=O)C9.CO4.C46.C58.N35
|
CCOc1nc(C(=O)NC[C@@H](C)N(CC)C(=O)C(=O)Nc2ccccc2)co1
|
CCOcncC=O)NC[C@@H]C)NCC))C=O)C=O)Ncccccc6))))))))))))))co5
|
[C][C][O][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][Ring2][Ring1][=Branch2]
|
c18nc4co1.c1%12ccccc1.C5(=O)C6=O.C9[C@H]%10C.C34=O.N5%10%11.CC7.O78.N39.C%11C.N6%12
|
C#CC[C@H](CC(F)F)C(=O)N1C[C@H](C(=O)NC2(C)CC(F)C2)[C@@H](C(C)C)C1
|
C#CC[C@H]CCF)F)))C=O)NC[C@H]C=O)NCC)CCF)C4))))))[C@@H]CC)C))C5
|
[C][#C][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][F][C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][P]
|
C#CC[C@H](CC(F)F)C3=O.N13C[C@H]6[C@@H]7C1.C15(C)CC(F)C1.C46=O.C7(C)C.N45
|
CCOC1CCC(CN2C[C@H]3COC[C@@H](C2)O3)CC1
|
CCOCCCCCNC[C@H]COC[C@@H]C8)O6)))))))))CC6
|
[C][C][O][C][C][C][C][Branch1][P][C][N][C][C@H1][C][O][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][O][Ring1][#Branch1][C][C][Ring1][S]
|
N16C[C@H]2COC[C@@H](C1)O2.C15CCC7CC1.CC4.O45.C67
|
CSc1nc(N2CC3(CN(C(=O)C=CC4CCCC4)C3)C2)ncc1C
|
CScncNCCCNC=O)C=CCCCCC5))))))))C4)))C4))))ncc6C
|
[C][S][C][=N][C][Branch2][Ring1][=C][N][C][C][Branch2][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][C][C][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][S][=N][C][=C][Ring2][Ring1][=Branch1][C]
|
c18nc6ncc1C.N16CC2(CN5C2)C1.C=7C1CCCC1.C5(=O)C=7.CS8
|
CCC(C)(C)N[C@H](C)C(=O)N1CC[C@@H](C)[C@H]1CNC(=O)CCC1CCOCC1
|
CCCC)C)N[C@H]C)C=O)NCC[C@@H]C)[C@H]5CNC=O)CCCCCOCC6
|
[C][C][C][Branch1][C][C][Branch1][C][C][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][O][C][C][Ring1][=Branch1]
|
N12CC[C@@H](C)[C@H]17.C18CCOCC1.CCC4(C)C.[C@@H]5(C)C2=O.C3(=O)CC8.N45.C67.N36
|
CS[C@@H](C)[C@@H](O)C(=O)N1CC(C2(NC(=O)CCc3cnn(C)c3C)CC2)C1
|
CS[C@@H]C)[C@@H]O)C=O)NCCCNC=O)CCccnnC)c5C))))))))))CC3)))C4
|
[C][S][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][Ring1][#C][C][Ring2][Ring1][Ring1]
|
N14CC(C26CC2)C1.[C@H]7(C)[C@@H](O)C4=O.c18cnn(C)c1C.C5(=O)CC8.CS7.N56
|
CNC(=O)CCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O
|
CNC=O)CCC=O)NC[C@H]C)NC)C=O)[C@H]CCNccccC)cc6))))))C5=O
|
[C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][N][=O]
|
C3(=O)CCC4=O.[C@H]18CCN9C1=O.c19ccc(C)cc1.C6[C@@H]7C.N57C.C58=O.CN3.N46
|
CCC(=O)N1CCCO[C@@H](CNC(=O)C23COC(CSC)(C2)C3)C1
|
CCC=O)NCCCO[C@@H]CNC=O)CCOCCSC)))C5)C5))))))))C7
|
[C][C][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][O][C][Branch1][Ring2][C][S][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][=Branch2][C][Ring2][Ring1][Ring2]
|
N14CCCO[C@@H]9C1.C128COC%10(C1)C2.CCC4=O.C58=O.C69.N56.C7%10.S7C
|
CC(C)(C)C#CC(=O)N1CC[C@@H](NC(=O)CCCC2CC2)C[C@@H]1C1CC1
|
CCC)C)C#CC=O)NCC[C@@H]NC=O)CCCCCC3))))))))C[C@@H]6CCC3
|
[C][C][Branch1][C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][C][C@@H1][Ring1][#C][C][C][C][Ring1][Ring1]
|
CC(C)(C)C#CC3=O.N13CC[C@@H]5C[C@@H]17.C4(=O)CCC6.C16CC1.C17CC1.N45
|
CCC(C)(CC)CN[C@@H](c1nnnn1Cc1nnn(C)n1)[C@H]1CCSC1
|
CCCC)CC))CN[C@@H]cnnnn5CcnnnC)n5)))))))))))[C@H]CCSC5
|
[C][C][C][Branch1][C][C][Branch1][Ring1][C][C][C][N][C@@H1][Branch2][Ring1][Ring1][C][=N][N][=N][N][Ring1][Branch1][C][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C@H1][C][C][S][C][Ring1][Branch1]
|
CCC(C)(C2)CC.c15nnnn14.c16nnn(C)n1.[C@H]17CCSC1.[C@H]357.N23.C46
|
C=C1CC2(C1)CC(C(=O)N1CC3(CN(C(=O)c4ccc(OC(C)C)nc4)C3)C1)C2
|
C=CCCC4)CCC=O)NCCCNC=O)ccccOCC)C)))nc6)))))))C4)))C4)))))C4
|
[C][=C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][C][Ring1][S][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
|
C=C1CC2(C1)CC9C2.N15CC2(C1)CN6C2.c1%10ccc8nc1.C59=O.C6%10=O.C7(C)C.O78
|
C=CCC1(NC(=O)c2n[nH]cc2OC)CN(C(=O)C(C)(C)c2ccccc2)C1
|
C=CCCNC=O)cn[nH]cc5OC)))))))))CNC=O)CC)C)cccccc6))))))))C4
|
[C][=C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
C168CN4C1.c17n[nH]cc15.C4(=O)C9(C)C.c19ccccc1.C=CC8.C37=O.N36.O5C
|
Cn1nc(C(F)(F)F)cc1-c1cc(NC(=O)c2cc(F)c(F)cc2O)ccn1
|
CnncCF)F)F))cc5-cccNC=O)cccF)cF)cc6O)))))))))ccn6
|
[C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][O][=C][C][=N][Ring2][Ring1][C]
|
c15cc(F)c(F)cc1O.Cn1nc6cc17.c17cc4ccn1.C6(F)(F)F.C35=O.N34
|
O=C(/C=C(/F)c1ccccc1)N1CC[C@H]2CN(C(=O)c3cscc3Cl)CC[C@H]2C1
|
O=C/C=C/F)cccccc6))))))))NCC[C@H]CNC=O)ccscc5Cl)))))))CC[C@H]6C%10
|
[O][=C][Branch1][=C][/C][=C][Branch1][C][/F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][Cl][C][C][C@H1][Ring1][=C][C][Ring2][Ring1][C]
|
N14CC[C@H]2CN5CC[C@H]2C1.C=7(F)c1ccccc1.c16cscc1Cl.O=C4C=7.C56=O
|
CCN(Cc1ccccc1C(F)(F)F)C(=O)NCc1c(Cl)ccnc1Br
|
CCNCcccccc6CF)F)F)))))))))C=O)NCccCl)ccnc6Br
|
[C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][#Branch1][Br]
|
c19c(Cl)ccnc1Br.c17ccccc18.C8(F)(F)F.N245.C23=O.CC4.C57.N36.C69
|
CC[C@H](CC(=O)NCC1(CNC(=O)c2cc3c(F)ccc(F)c3[nH]2)CCC1)OC
|
CC[C@H]CC=O)NCCCNC=O)ccccF)cccF)c6[nH]9))))))))))))CCC4))))))))OC
|
[C][C][C@H1][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][NH1][Ring1][O][C][C][C][Ring2][Ring1][Ring1][O][C]
|
c19cc2c(F)ccc(F)c2[nH]1.CC[C@@H]6CC4=O.C1%10%11CCC1.C59=O.N47.C7%10.C8%11.N58.O6C
|
Cc1ccc(C(=O)N(C)[C@H]2CC[C@@H](NC(=O)C[C@H](C)NC(N)=O)CC2)c(N)c1
|
CccccC=O)NC)[C@H]CC[C@@H]NC=O)C[C@H]C)NCN)=O)))))))CC6))))))))cN)c6
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][Branch1][C][N][=O][C][C][Ring1][S][C][Branch1][C][N][=C][Ring2][Ring1][O]
|
Cc1ccc9c(N)c1.[C@H]17CC[C@@H]8CC1.C4(=O)C[C@@H]6C.C39=O.N37C.C5(N)=O.N48.N56
|
C=C[C@@H]1CCN(C(=O)C2(n3cccn3)CCN(C(=O)[C@@H](C)NC=O)CC2)C1
|
C=C[C@@H]CCNC=O)Cncccn5)))))CCNC=O)[C@@H]C)NC=O)))))CC6)))))))C5
|
[C][=C][C@@H1][C][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=O][C][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
C178CCN5CC1.C=C[C@@H]1CCN4C1.n18cccn1.C5(=O)[C@H]6C.C47=O.N6C=O
|
CCC[C@@H](NC(=O)c1ccoc1)C(=O)N1CC(=O)N2CCC[C@@H]2C1
|
CCC[C@@H]NC=O)cccoc5)))))))C=O)NCC=O)NCCC[C@@H]5C9
|
[C][C][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][#Branch2]
|
N14CC(=O)N2CCC[C@@H]2C1.CCC[C@@H]5C4=O.c16ccoc1.C36=O.N35
|
C/C=C/[C@H]1CN(C(=O)CC/C=C/C(C)C)C[C@@H]1C(=O)NC1(CC)CCC1
|
C/C=C/[C@H]CNC=O)CC/C=C/CC)C)))))))C[C@@H]5C=O)NCCC))CCC4
|
[C][/C][=C][/C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][/C][=C][/C][Branch1][C][C][C][C][C@@H1][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][C][C][Ring1][=Branch1]
|
C=6[C@H]1CN2C[C@@H]15.C2(=O)CCC=7.C148CCC1.C=7C(C)C.C35=O.CC=6.N34.C8C
|
CC(C)N1CC[C@H](CNC(=O)CCNC(=O)[C@H](C)C#N)C1
|
CCC)NCC[C@H]CNC=O)CCNC=O)[C@H]C)C#N))))))))))C5
|
[C][C][Branch1][C][C][N][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][#N][C][Ring2][Ring1][C]
|
N14CC[C@H]7C1.C3(=O)[C@H](C)C#N.C2(=O)CC6.CC4C.C57.N25.N36
|
C[S@+]([O-])C1(CNC(=O)c2coc3c2CN(C(=O)CCc2cnoc2)C3)CC1
|
C[S@+][O-])CCNC=O)ccocc5CNC=O)CCccnoc5))))))))C5)))))))))))CC3
|
[C][S@+1][Branch1][C][O-1][C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=N][O][C][=Ring1][Branch1][C][Ring1][=C][C][C][Ring2][Ring1][Branch2]
|
c17coc2c1CN5C2.C[S@+]([O-])C18CC1.C5(=O)CC9.c19cnoc1.C47=O.C68.N46
|
CCCN(CCNC(=O)[C@]1(Cl)CC1(C)C)C(=O)CCC(=O)NC1CCCC1
|
CCCNCCNC=O)[C@]Cl)CC3C)C))))))))C=O)CCC=O)NCCCCC5
|
[C][C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][Cl][C][C][Ring1][Ring2][Branch1][C][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1]
|
C3(=O)CCC4=O.[C@@]19(Cl)CC1(C)C.C18CCCC1.CCC5.N356.C6C7.C29=O.N27.N48
|
CC(C)(C)Cc1nc2cc(N[C@@](C)(CCCl)c3nnnn3CC(F)F)ccc2o1
|
CCC)C)CcncccN[C@@]C)CCCl)))cnnnn5CCF)F))))))))))ccc6o9
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][C][Branch2][Ring1][Branch2][N][C@@][Branch1][C][C][Branch1][Ring2][C][C][Cl][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][Branch2]
|
c17nc2cc5ccc2o1.[C@@]48(C)CCCl.c18nnnn16.CC(C)(C)C7.C6C(F)F.N45
|
CC(C)C(C(=O)N[C@H]1C[C@]2(NC(=O)c3cc4cn[nH]c4cn3)CO[C@H]1C2)C(C)C
|
CCC)CC=O)N[C@H]C[C@]NC=O)ccccn[nH]c5cn9)))))))))))CO[C@H]6C5)))))))))CC)C
|
[C][C][Branch1][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C@][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][C][=N][NH1][C][=Ring1][Branch1][C][=N][Ring1][=Branch2][C][O][C@H1][Ring2][Ring1][C][C][Ring1][P][C][Branch1][C][C][C]
|
CC(C)C(C5=O)C(C)C.c19cc2cn[nH]c2cn1.[C@H]17C[C@]28CO[C@H]1C2.C69=O.N57.N68
|
Cc1cc(C(=O)N2CCO[C@@H](CCNC(=O)C34CC(C(C)C)(C3)C4)C2)no1
|
CcccC=O)NCCO[C@@H]CCNC=O)CCCCC)C))C4)C4))))))))C6)))))))no5
|
[C][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Branch2][C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][#Branch2]
|
N15CCO[C@@H]%10C1.Cc1cc8no1.C129CC%11(C1)C2.C58=O.C%10C7.C69=O.C%11(C)C.N67
|
C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1NC(=O)CCOc1ccccc1O
|
C[C@@H]CNC=O)[C@H]CCS=O)=O)N5))))))C[C@H]5NC=O)CCOcccccc6O
|
[C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][#Branch1][C][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
C[C@@H]1CN3C[C@H]17.[C@H]18CCS(=O)(=O)N1.c16ccccc1O.C4(=O)CC5.C38=O.N47.O56
|
CCN(C(=O)C1(F)CCN(C(=O)Cc2ccnc(O)c2)CC1)[C@@H](C)C1CC1
|
CCNC=O)CF)CCNC=O)CcccncO)c6))))))))CC6)))))))[C@@H]C)CCC3
|
[C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][Branch1][C][F][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][P][C@@H1][Branch1][C][C][C][C][C][Ring1][Ring1]
|
C17(F)CCN4CC1.c19ccnc(O)c1.C4(=O)C9.N356.C37=O.[C@@H]68C.C18CC1.CC5
|
COCc1ccoc1C(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(=O)oc2)CC1
|
COCcccoc5C=O)N[C@@H]C)CCCNC=O)cccc=O)oc6)))))))CC6
|
[C][O][C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][C][Ring1][#C]
|
C19CCN4CC1.c18ccc(=O)oc1.c1%10ccoc17.C37=O.[C@@H]69C.C48=O.CO5.C5%10.N36
|
Cc1nc(C(=O)N2CC(CNC(=O)[C@H](C)NC(=O)C3CCC3)C2)cn1C
|
CcncC=O)NCCCNC=O)[C@H]C)NC=O)CCCC4))))))))))C4)))))cn5C
|
[C][C][=N][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring1][P][=C][N][Ring2][Ring1][Branch2][C]
|
Cc1nc9cn1C.N14CC%11C1.C5(=O)[C@@H]8C.C1%10CCC1.C49=O.C6%10=O.C7%11.N57.N68
|
Cc1csc(CCNC(=O)Nc2nc(-c3ccc(Br)cn3)cs2)n1
|
CccscCCNC=O)Ncnc-ccccBr)cn6))))))cs5))))))))))n5
|
[C][C][=C][S][C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][S][Ring1][N][=N][Ring2][Ring1][#Branch1]
|
c19ccc(Br)cn1.Cc1csc8n1.c17nc9cs1.C8C6.C45=O.N46.N57
|
COC(=O)[C@H]1COCCN(Cc2cccnc2-c2cncc(C(F)(F)F)c2)C1
|
COC=O)[C@H]COCCNCccccnc6-ccnccCF)F)F))c6)))))))))))))C7
|
[C][O][C][=Branch1][C][=O][C@H1][C][O][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch2]
|
[C@H]15COCCN4C1.c16cccnc18.c18cncc7c1.C7(F)(F)F.C35=O.CO3.C46
|
C#CCC(=O)N1CCO[C@@H](CNC(=O)c2cccc(F)c2F)C1
|
C#CCC=O)NCCO[C@@H]CNC=O)cccccF)c6F))))))))))C6
|
[C][#C][C][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C]
|
c16cccc(F)c1F.N13CCO[C@@H]7C1.C#CCC3=O.C46=O.C57.N45
|
Cc1ncc(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)[C@H]3C[C@@](C)(O)C3)C2)s1
|
CcnccC=O)NCC[C@@H]CO))[C@H]NC=O)[C@H]C[C@@]C)O)C4))))))C6)))))))s5
|
[C][C][=N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][Ring1][C][O][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C][Ring1][=Branch1][C][Ring1][P][S][Ring2][Ring1][Branch2]
|
N14CC[C@@H]9[C@H]6C1.Cc1ncc7s1.[C@H]18C[C@@](C)(O)C1.C47=O.C58=O.C9O.N56
|
CCOC1(C)CN(C(=O)[C@@H]2CC23CCN(C(=O)[C@@H](N=[N+]=[N-])C(C)C)CC3)C1
|
CCOCC)CNC=O)[C@@H]CC3CCNC=O)[C@@H]N=[N+]=[N-])))CC)C))))CC6)))))))))C4
|
[C][C][O][C][Branch1][C][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][N][=N+1][=N-1][C][Branch1][C][C][C][C][C][Ring1][#C][C][Ring2][Ring1][Branch2]
|
[C@@H]18CC12CCN5CC2.C5(=O)[C@@H](N=[N+]=[N-])C(C)C.C17(C)CN4C1.C48=O.CC6.O67
|
C#CC[C@H](C)C(=O)N[C@H]1CN(C(=O)c2c(C(F)(F)F)ncn2O)C[C@H]1C
|
C#CC[C@H]C)C=O)N[C@H]CNC=O)ccCF)F)F))ncn5O)))))))C[C@H]5C
|
[C][#C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][N][Ring1][=Branch2][O][C][C@H1][Ring1][P][C]
|
C#CC[C@H](C)C3=O.[C@H]15CN4C[C@H]1C.c16c7ncn1O.C7(F)(F)F.C46=O.N35
|
CCC1(NC(=O)[C@@H]2CSCCN2C(=O)C(C)(C)O)COC1
|
CCCNC=O)[C@@H]CSCCN6C=O)CC)C)O)))))))))))COC4
|
[C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][S][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][O][C][Ring2][Ring1][Ring1]
|
[C@@H]16CSCCN14.C4(=O)C(C)(C)O.C157COC1.C36=O.CC7.N35
|
O=C(NCc1nn[nH]n1)[C@H]1C[C@H]1Nc1nccc(-c2cccnc2)n1
|
O=CNCcnn[nH]n5)))))))[C@H]C[C@H]3Ncnccc-ccccnc6))))))n6
|
[O][=C][Branch1][#Branch2][N][C][C][N][=N][NH1][N][=Ring1][Branch1][C@H1][C][C@H1][Ring1][Ring1][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N]
|
c15nccc9n1.c19cccnc1.c18nn[nH]n1.[C@H]17C[C@H]16.O=C37.N34.C48.N56
|
CC1(C)C[C@@H](C(=O)N[C@H]2CCCC[C@H]2N=c2[nH]nc(C3CC3)s2)CO1
|
CCC)C[C@@H]C=O)N[C@H]CCCC[C@H]6N=c[nH]ncCCC3)))s5))))))))))))))CO5
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][=C][NH1][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][O][Ring2][Ring1][Branch2]
|
[C@H]15CCCC[C@H]1N=c1[nH]nc7s1.CC1(C)C[C@@H]6CO1.C46=O.C17CC1.N45
|
CC(C)NC(=O)[C@H](c1cscc1Cl)N1C[C@@H](CO)[C@@H](CCO)C1
|
CCC)NC=O)[C@H]ccscc5Cl))))))NC[C@@H]CO))[C@@H]CCO)))C5
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][=C][S][C][=C][Ring1][Branch1][Cl][N][C][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][Ring2][C][C][O][C][Ring1][#Branch2]
|
N14C[C@@H]5[C@@H]6C1.c17cscc1Cl.C2(=O)[C@@H]47.CC3C.C6CO.N23.C5O
|
CC[C@@H](C)CCC(=O)N[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1coc(C(C)C)n1)C2
|
CC[C@@H]C)CCC=O)N[C@@H]CCS=O)=O)C5CNC=O)ccocCC)C))n5))))))C4
|
[C][C][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][Ring1][=C]
|
[C@@H]15CCS(=O)(=O)C12CN4C2.CC[C@@H](C)CCC3=O.c16coc7n1.C46=O.C7(C)C.N35
|
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC/C=C/CNC(=O)[C@@H]2C=CCC2)c1
|
CccccCC)C))cO[C@@H]C)C=O)NC/C=C/CNC=O)[C@@H]C=CCC5)))))))))))))))c6
|
[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][/C][=C][/C][N][C][=Branch1][C][=O][C@@H1][C][=C][C][C][Ring1][Branch1][=C][Ring2][Ring1][O]
|
Cc1ccc%11c6c1.[C@H]5(C)C3=O.[C@@H]19C=CCC1.C%11(C)C.C7C=%10.C=%10C8.C49=O.O56.N37.N48
|
Cc1ccc(Br)cc1CC(=O)NC[C@H](C)CNC(=O)C=Cc1cccn1C
|
CccccBr)cc6CC=O)NC[C@H]C)CNC=O)C=Cccccn5C
|
[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][Branch1][C]
|
Cc1ccc(Br)cc17.C=6c1cccn1C.C4[C@H](C)C5.C7C2=O.C3(=O)C=6.N24.N35
|
C[C@@H](CN1CCN(C(=O)c2cc(=O)n(C)o2)CC1)NC(=O)c1nnn(C)n1
|
C[C@@H]CNCCNC=O)ccc=O)nC)o5))))))CC6)))))))NC=O)cnnnC)n5
|
[C][C@@H1][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][O][Ring1][#Branch1][C][C][Ring1][#C][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1]
|
N16CCN3CC1.c17cc(=O)n(C)o1.c18nnn(C)n1.C[C@H]5C6.C37=O.C48=O.N45
|
Cc1occc1CC(=O)NCCC1(O)CN(C(=O)C2=COCC2)C1
|
Ccoccc5CC=O)NCCCO)CNC=O)C=COCC5))))))C4
|
[C][C][O][C][=C][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][O][C][C][Ring1][Branch1][C][Ring1][N]
|
C4(=O)C1=COCC1.Cc1occc17.C16(O)CN4C1.C7C3=O.C5C6.N35
|
C#C[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C(C)(C)O)cs1)C(C)(C)C
|
C#C[C@H]NC=O)cccCNC=O)CC)C)CC)C)O))))))cs5)))))))CC)C)C
|
[C][#C][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][=C][S][Ring1][S][C][Branch1][C][C][Branch1][C][C][C]
|
C3(=O)C(C)(C)C(C)(C)O.C#C[C@H]4C(C)(C)C.c16cc7cs1.C26=O.N24.C57.N35
|
C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2cn(CCCF)nn2)[C@H]2C[C@@H]21
|
C=CC)CCC=O)NC[C@H]CNC=O)ccnCCCF))))nn5))))))))[C@H]C[C@@H]36
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][Branch1][C][C][C][F][N][=N][Ring1][=Branch2][C@H1][C][C@@H1][Ring1][Ring1][Ring2][Ring1][Ring1]
|
C=C(C)CCC3=O.N13C[C@H]8[C@H]2C[C@@H]21.c16cn7nn1.C7CCF.C46=O.C58.N45
|
Cc1cc(C)nc(C(=O)N[C@@H]2CCC23CN(C(=O)[C@@]2(Cl)CC2(F)F)C3)c1
|
CcccC)ncC=O)N[C@@H]CCC4CNC=O)[C@@]Cl)CC3F)F)))))C4)))))))))c6
|
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C][Ring1][Ring2][C][N][Branch1][P][C][=Branch1][C][=O][C@@][Branch1][C][Cl][C][C][Ring1][Ring2][Branch1][C][F][F][C][Ring1][N][=C][Ring2][Ring1][=Branch2]
|
Cc1cc7nc(C)c1.[C@@H]16CCC12CN5C2.[C@]18(Cl)CC1(F)F.C47=O.C58=O.N46
|
C[C@@H]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CCCN(C(=O)c2csc(=NC3CC3)[nH]2)C1
|
C[C@@H]CCC[C@@H]5CC=O)NC)C[C@H]CCCNC=O)ccsc=NCCC3))))[nH]5))))))C6
|
[C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][S][C][=Branch1][#Branch1][=N][C][C][C][Ring1][Ring1][NH1][Ring1][=Branch2][C][Ring1][P]
|
c17csc(=NC2CC2)[nH]1.[C@H]19CCCN5C1.C[C@@H]1CCC[C@@H]18.C8C4=O.N46C.C57=O.C69
|
O=C(N[C@@H]1CN(C(=O)CCCc2cc[nH]n2)CC12CC2)c1cc(Cl)ccn1
|
O=CN[C@@H]CNC=O)CCCccc[nH]n5)))))))))CC5CC3))))))))cccCl)ccn6
|
[O][=C][Branch2][Ring1][=N][N][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][C][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][#C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1]
|
[C@@H]15CN4CC12CC2.c16cc(Cl)ccn1.C4(=O)CCC7.c17cc[nH]n1.O=C36.N35
|
C#CC[C@H](CC)NC(=O)[C@@]1(NC(=O)C[C@@H](C)n2cccn2)CCC(C)(C)C1
|
C#CC[C@H]CC))NC=O)[C@@]NC=O)C[C@@H]C)ncccn5)))))))))CCCC)C)C5
|
[C][#C][C][C@H1][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C@@][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
|
[C@@]167CCC(C)(C)C1.C#CC[C@@H]5CC.C4(=O)C[C@H]8C.n18cccn1.C37=O.N35.N46
|
O=C(c1cnc(Cl)s1)N1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn(CC3CCCC3)c1)C2
|
O=CccncCl)s5)))))NC[C@H]C[C@@H]C6)NC=O)ccnnCCCCCC5))))))c5))))))C5
|
[O][=C][Branch1][O][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Ring1][O][C][Ring2][Ring1][Ring1]
|
N14C[C@H]2C[C@@H](C1)N5C2.c16cnc(Cl)s1.c17cnn8c1.C19CCCC1.O=C46.C57=O.C89
|
CCOCc1nc(-c2cnc(CC3CC3)nc2O)n([C@H](C)C(C)(C)C)n1
|
CCOCcnc-ccncCCCC3))))nc6O)))))))n[C@H]C)CC)C)C)))n5
|
[C][C][O][C][C][N][=C][Branch2][Ring1][C][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][=C][Ring1][#Branch2][O][N][Branch1][=N][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][=Branch1]
|
c1%10cnc8nc1O.c17nc%10n6n1.[C@@H]6(C)C(C)(C)C.C19CC1.CC4.O45.C57.C89
|
CCn1nccc1[C@@H](C)NC(=O)CCN(C(=O)Cn1cnc(C#N)n1)C1CC1
|
CCnnccc5[C@@H]C)NC=O)CCNC=O)CncncC#N))n5)))))))CCC3
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][Ring1][C][#N][=N][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
n18cnc(C#N)n1.n17nccc19.C2(=O)CC5.C3(=O)C8.[C@H]49C.N356.C16CC1.CC7.N24
|
COc1cncnc1C(=O)N[C@@H](CNC(=O)c1cc(C)sc1C)C1CCCC1
|
COccncnc6C=O)N[C@@H]CNC=O)cccC)sc5C)))))))))CCCCC5
|
[C][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][C][C][C][C][Ring1][Branch1]
|
c14cncnc17.c18cc(C)sc1C.C19CCCC1.[C@@H]59C6.C27=O.C38=O.CO4.N25.N36
|
C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)c1ccn2c1CCC2
|
C[C@H]C[C@@H]C=O)O))CCN6C=O)cccnc5CCC5
|
[C][C@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][N][C][=Ring1][Branch1][C][C][C][Ring1][Branch1]
|
C[C@H]1C[C@@H]4CCN13.c15ccn2c1CCC2.C4(=O)O.C35=O
|
O=C(CC(=O)N[C@H]1CC[C@]2(CCN(C(=O)c3ccncc3F)C2)C1)NC1CC1
|
O=CCC=O)N[C@H]CC[C@]CCNC=O)cccncc6F))))))))C5))))C5))))))))NCCC3
|
[O][=C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C@H1][C][C][C@][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][Ring1][=C][C][Ring2][Ring1][C][N][C][C][C][Ring1][Ring1]
|
[C@H]17CC[C@]2(CCN6C2)C1.c19ccncc1F.O=C4CC5=O.C69=O.C18CC1.N57.N48
|
CS(=O)(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)NC[C@]23CNC[C@H]2C3)c1
|
CS=O)=O)ccccOCCF)F))))cNC=O)C=O)NC[C@]CNC[C@H]5C6)))))))))))c6
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][F][F][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@][C][N][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2]
|
CS(=O)(=O)c1ccc7c9c1.[C@]12%10CNC[C@H]1C2.C4(=O)C5=O.C6C(F)F.O67.N49.N58.C8%10
|
CC[C@H]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]4C[C@@H]43)C2)CC1
|
CC[C@H]CC[C@H]C=O)NCCO)CNC=O)[C@@H]C[C@H]C[C@@H]35))))))C4)))))))CC6
|
[C][C][C@H1][C][C][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C@@H1][Ring1][Ring1][Ring1][Branch1][C][Ring1][N][C][C][Ring2][Ring1][=Branch1]
|
[C@H]1%10CC[C@H]8CC1.C1%11(O)CN6C1.[C@@H]19C[C@H]2C[C@@H]21.C58=O.C69=O.CC%10.N57.C7%11
|
CO[C@H]1C[C@@H](F)CN(C(=O)[C@@H]2CN(C(=O)c3ccncc3Cl)CCC2(C)C)C1
|
CO[C@H]C[C@@H]F)CNC=O)[C@@H]CNC=O)cccncc6Cl))))))))CCC6C)C))))))))C6
|
[C][O][C@H1][C][C@@H1][Branch1][C][F][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][C][C][Ring1][#C][Branch1][C][C][C][C][Ring2][Ring1][#Branch2]
|
[C@@H]17CN5CCC1(C)C.[C@H]16C[C@@H](F)CN4C1.c18ccncc1Cl.C47=O.C58=O.CO6
|
O=C(NC[C@@H]1CN(C(=O)c2cc(Cl)ccc2O)[C@H]2C[C@H]12)c1cc2cccnc2[nH]1
|
O=CNC[C@@H]CNC=O)cccCl)ccc6O))))))))[C@H]C[C@H]63))))))))ccccccnc6[nH]9
|
[O][=C][Branch2][Ring1][#C][N][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C@H1][C][C@H1][Ring1][S][Ring1][Ring1][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
c16cc2cccnc2[nH]1.c17cc(Cl)ccc1O.[C@@H]18CN4[C@H]2C[C@H]12.O=C36.C47=O.N35.C58
|
CCSc1ccc(C(=O)NCC[C@H](C)N(C)C(=O)c2cnc(OC)nc2)cn1
|
CCSccccC=O)NCC[C@H]C)NC)C=O)ccncOC))nc6)))))))))))))cn6
|
[C][C][S][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][=N][Ring2][Ring1][=Branch2]
|
c1%11ccc9cn1.c1%10cnc5nc1.C6C[C@@H]7C.C39=O.N47C.C4%10=O.CC8.S8%11.N36.O5C
|
O=[N+]([O-])c1cnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)nc1
|
O=[N+][O-])ccncNCCCS=O)=O)cccccc6)))))))CC6))))))nc6
|
[O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1]
|
N14CCC(S(=O)(=O)c2ccccc2)CC1.O=[N+]([O-])c1cnc4nc1
|
Cc1nccc(C(=O)N[C@@](C)(CNC(=O)c2ccc(N)cc2Cl)CC(C)C)n1
|
CcncccC=O)N[C@@]C)CNC=O)ccccN)cc6Cl))))))))))CCC)C))))))n6
|
[C][C][=N][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][C][Branch1][C][C][C][=N][Ring2][Ring1][O]
|
[C@@]5(C)(C6)CC(C)C.c18ccc(N)cc1Cl.Cc1nccc7n1.C37=O.C48=O.N35.N46
|
CO[C@@H](C(=O)NCC[C@@H](O)CNC(=O)C=CC(=O)N(C)C)c1ccccc1F
|
CO[C@@H]C=O)NCC[C@@H]O)CNC=O)C=CC=O)NC)C)))))))))))))cccccc6F
|
[C][O][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
c19ccccc1F.C6C[C@@H](O)C7.[C@@H]59C2=O.C3(=O)C=8.C=8C4=O.N4(C)C.CO5.N26.N37
|
COC(=O)CC(=O)N1C[C@H](N(C)C(=O)C2=C[C@H](O)CCC2)C2(CC2)C1
|
COC=O)CC=O)NC[C@H]NC)C=O)C=C[C@H]O)CCC6))))))))CCC3))C5
|
[C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C@H1][Branch1][C][O][C][C][C][Ring1][#Branch1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring2][Ring1][C]
|
C5(=O)C1=C[C@H](O)CCC1.N14C[C@H]6C2(CC2)C1.C3(=O)CC4=O.N56C.CO3
|
CO[C@H](C(=O)NCC1[C@@H]2CN(C(=O)c3cc(F)cnc3O)C[C@@H]12)c1cccnc1
|
CO[C@H]C=O)NCC[C@@H]CNC=O)cccF)cnc6O))))))))C[C@@H]65)))))))))ccccnc6
|
[C][O][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][#Branch1][O][C][C@@H1][Ring1][S][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
c18cc(F)cnc1O.C19[C@@H]2CN5C[C@@H]12.c1%10cccnc1.[C@H]6%10C4=O.C58=O.CO6.N47.C79
|
C[C@@H](O)C(F)(F)C(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)[C@@H]1CCCC1(C)C)C2
|
C[C@@H]O)CF)F)C=O)N[C@H]CCC[C@H]6CCNC=O)[C@@H]CCCC5C)C))))))))C8
|
[C][C@@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][=Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring2][Ring1][C]
|
N13[C@H]2CCC[C@H]1CC5C2.C[C@@H](O)C(F)(F)C3=O.[C@@H]16CCCC1(C)C.C46=O.N45
|
CC1=NNC(=O)[C@@H]1CC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)CCOC1CC1
|
CC=NNC=O)[C@@H]5CC=O)NC[C@@H]O)[C@@H]O)[C@@H]5CNC=O)CCOCCC3
|
[C][C][=N][N][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][C][C][Ring1][Ring1]
|
N12C[C@@H](O)[C@@H](O)[C@@H]17.CC1=NNC(=O)[C@@H]18.C3(=O)CC4.C8C2=O.C15CC1.C67.N36.O45
|
CCc1ccc(C(=O)NC[C@H](C)N(C)C(=O)CN2[C@H](C)CC[C@@H]2C)cc1
|
CCccccC=O)NC[C@H]C)NC)C=O)CN[C@H]C)CC[C@@H]5C)))))))))))))cc6
|
[C][C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch2]
|
c19ccc8cc1.N17[C@H](C)CC[C@@H]1C.C5[C@@H]6C.C4(=O)C7.C38=O.N46C.CC9.N35
|
Cc1coc(C)c1C(=O)N[C@H]1CCN(C(=O)c2nc(Cl)cs2)C[C@@H]1C
|
CccocC)c5C=O)N[C@H]CCNC=O)cncCl)cs5))))))C[C@@H]6C
|
[C][C][=C][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][S][Ring1][=Branch1][C][C@@H1][Ring1][=C][C]
|
[C@H]15CCN4C[C@@H]1C.Cc1coc(C)c17.c16nc(Cl)cs1.C37=O.C46=O.N35
|
CCn1ncc(C(=O)N[C@@H](C)CCCNC(=O)c2ccnc(Cl)c2N)n1
|
CCnnccC=O)N[C@@H]C)CCCNC=O)cccncCl)c6N)))))))))))))))n5
|
[C][C][N][N][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][Branch2]
|
c18ccnc(Cl)c1N.n19ncc7n1.[C@H]5(C)CCC6.C37=O.C48=O.CC9.N35.N46
|
C#CC[C@@H](NC(=O)c1nccc(C)c1F)C(=O)N[C@@H](CCO)C(F)(F)F
|
C#CC[C@@H]NC=O)cncccC)c6F)))))))))C=O)N[C@@H]CCO)))CF)F)F
|
[C][#C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
c16nccc(C)c1F.[C@H]5(CCO)C(F)(F)F.C#CC[C@@H]4C3=O.C26=O.N24.N35
|
CC(C)(C)OC(=O)NCCC(=O)NCCCNC(=O)C#CC1CC1
|
CCC)C)OC=O)NCCC=O)NCCCNC=O)C#CCCC3
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][#C][C][C][C][Ring1][Ring1]
|
C5(=O)C#CC1CC1.C7CC4=O.CC6(C)C.C8CC9.C23=O.O26.N37.N48.N59
|
CC(C)n1ncc(C(=O)N2CC[C@H](O)[C@@H]2C(=O)NC[C@H]2CCCCS2)n1
|
CCC)nnccC=O)NCC[C@H]O)[C@@H]5C=O)NC[C@H]CCCCS6)))))))))))))))n5
|
[C][C][Branch1][C][C][N][N][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][S][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1]
|
N13CC[C@H](O)[C@@H]16.n18ncc7n1.[C@H]19CCCCS1.CC8C.C37=O.C46=O.N45.C59
|
CO[C@@H]1CCC[C@H](C(=O)N[C@@H](CNC(=O)c2cccc(O)c2C)C2CC2)C1
|
CO[C@@H]CCC[C@H]C=O)N[C@@H]CNC=O)cccccO)c6C))))))))))CCC3))))))C6
|
[C][O][C@@H1][C][C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2]
|
c19cccc(O)c1C.[C@@H]15CCC[C@H]8C1.[C@@H]6%10C7.C38=O.C49=O.C1%10CC1.CO5.N36.N47
|
Cc1cnc(NC(=O)[C@H]2C[C@H](F)CN2Cc2cc(Br)c(O)cc2O)nc1Cl
|
CccncNC=O)[C@H]C[C@H]F)CN5CcccBr)cO)cc6O)))))))))))))))nc6Cl
|
[C][C][=C][N][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][N][=C][Ring2][Ring1][=Branch2][Cl]
|
c17cc(Br)c(O)cc1O.Cc1cnc5nc1Cl.[C@H]16C[C@H](F)CN14.C36=O.N35.C47
|
CC[C@@H]1C(=O)NCCN1[C@H](C(=O)NCCC1(C)CC1)[C@H]1CCC(C)=C[C@H]1C
|
CC[C@@H]C=O)NCCN6[C@H]C=O)NCCCC)CC3)))))))[C@H]CCCC)=C[C@H]6C
|
[C][C][C@@H1][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][Ring2][C@H1][C][C][C][Branch1][C][C][=C][C@H1][Ring1][#Branch1][C]
|
[C@@H]15C(=O)NCCN13.[C@H]16CCC(C)=C[C@H]1C.[C@H]36C2=O.C17(C)CC1.C4C7.CC5.N24
|
CCCSCCC(=O)N[C@H]1CN(C(=O)CCn2nc(C)cc2C)CC[C@H]1C
|
CCCSCCC=O)N[C@H]CNC=O)CCnncC)cc5C)))))))))CC[C@H]6C
|
[C][C][C][S][C][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][P][C]
|
[C@H]17CN4CC[C@H]1C.n18nc(C)cc1C.C6CC3=O.C4(=O)CC8.CCC5.S56.N37
|
C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@H]2C[C@H]2NC(=O)c2cccc3c[nH]nc23)C1
|
C[C@H]C[C@@H]3C=O)NCCC[C@H][C@H]C[C@H]3NC=O)cccccc[nH]nc95))))))))))))))C6
|
[C][C@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Branch2][C@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Ring2][Ring1][Branch1]
|
N14CCC[C@H]([C@H]2C[C@H]26)C1.c18cccc2c[nH]nc12.C[C@H]1C[C@@H]17.C47=O.C58=O.N56
|
CC1=CCN(S(=O)(=O)c2cnc(N[C@H](C)c3ccsc3)cc2C)CC1
|
CC=CCNS=O)=O)ccncN[C@H]C)cccsc5)))))))cc6C))))))))CC6
|
[C][C][=C][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=N][N][C@H1][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][=C][C][C][C][Ring2][Ring1][Branch2]
|
S5(=O)(=O)c1cnc6cc1C.CC1=CCN5CC1.c17ccsc1.[C@H]47C.N46
|
C[C@H]1CN(C(=O)[C@H](CCC(N)=O)n2cc(CCC3CCC3)nn2)CCCO1
|
C[C@H]CNC=O)[C@H]CCCN)=O))))nccCCCCCC4))))))nn5)))))))CCCO7
|
[C][C@H1][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Ring2][N][=N][Ring1][O][C][C][C][O][Ring2][Ring1][#Branch2]
|
C4(=O)[C@@H]5CCC(N)=O.C[C@H]1CN4CCCO1.n15cc6nn1.C17CCC1.C6C7
|
N#CC1CC2(C1)CC(C(=O)NC[C@H](O)CNC(=O)[C@@]13C[C@H]4C[C@H](C(=O)N1)[C@H]3C4)C2
|
N#CCCCC4)CCC=O)NC[C@H]O)CNC=O)[C@@]C[C@H]C[C@H]C=O)N7))[C@H]6C5))))))))))))))C4
|
[N][#C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@][C][C@H1][C][C@H1][Branch1][Branch2][C][=Branch1][C][=O][N][Ring1][Branch2][C@H1][Ring1][=Branch2][C][Ring1][Branch2][C][Ring2][Ring1][=Branch2]
|
[C@@]129C[C@H]3C[C@H](C(=O)N1)[C@H]2C3.N#CC1CC2(CC%10C2)C1.C7[C@H](O)C8.C5%10=O.C69=O.N57.N68
|
CC(=O)N1CC[C@@H](C(=O)N(C)CCN(C)C(=O)c2csc(C(N)=O)n2)C1
|
CC=O)NCC[C@@H]C=O)NC)CCNC)C=O)ccscCN)=O))n5)))))))))))C5
|
[C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][Branch2][C][Ring2][Ring1][#Branch1]
|
N13CC[C@@H]%10C1.c18csc9n1.CC3=O.C4%10=O.N46C.C6C7.N57C.C58=O.C9(N)=O
|
Cc1cc(-n2cc([C@@H](CC(N)=O)NC(=O)C3(F)CC3)nn2)cnc1Br
|
Cccc-ncc[C@@H]CCN)=O)))NC=O)CF)CC3))))))nn5)))))cnc6Br
|
[C][C][=C][C][Branch2][Ring1][P][N][C][=C][Branch2][Ring1][#Branch1][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2][N][=N][Ring1][P][=C][N][=C][Ring2][Ring1][#Branch1][Br]
|
Cc1cc8cnc1Br.n18cc7nn1.[C@H]57CC(N)=O.C16(F)CC1.C46=O.N45
|
CC[C@@H](SC)C(=O)NCCOC1CN(C(=O)Cc2c(C)n[nH]c2C)C1
|
CC[C@@H]SC))C=O)NCCOCCNC=O)CccC)n[nH]c5C))))))))C4
|
[C][C][C@@H1][Branch1][Ring1][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][Ring1][=C]
|
c19c(C)n[nH]c1C.CC[C@@H]8C3=O.C16CN4C1.C4(=O)C9.C7C5.S8C.N37.O56
|
O=C(NCCN(C(=O)[C@@]1(C(F)F)CCCO1)C1CC1)[C@@H](CC(F)F)C1CCC1
|
O=CNCCNC=O)[C@@]CF)F))CCCO5))))))CCC3)))))))[C@@H]CCF)F)))CCCC4
|
[O][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@][Branch1][=Branch1][C][Branch1][C][F][F][C][C][C][O][Ring1][Branch2][C][C][C][Ring1][Ring1][C@@H1][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][C][C][Ring1][Ring2]
|
O=C2[C@H]9CC(F)F.[C@]178CCCO1.C19CCC1.C4C5.N356.C37=O.C8(F)F.C16CC1.N24
|
COCCNCCCN=c1[nH]c(N2CCSC[C@H](C)C2)nc2c(F)cc(F)cc12
|
COCCNCCCN=c[nH]cNCCSC[C@H]C)C7)))))))nccF)ccF)cc%106
|
[C][O][C][C][N][C][C][C][N][=C][NH1][C][Branch1][=N][N][C][C][S][C][C@H1][Branch1][C][C][C][Ring1][Branch2][=N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring2][Ring1][Branch2]
|
C5CCN=c1[nH]c6nc2c(F)cc(F)cc12.N16CCSC[C@H](C)C1.C3C4.CO3.N45
|
CC(=NO)[C@@H]1C[C@@H](C(=O)NCC2(CNC(=O)C#CC3(C)CC3)CCCC2)C1(C)C
|
CC=NO))[C@@H]C[C@@H]C=O)NCCCNC=O)C#CCC)CC3))))))))CCCC5))))))))C4C)C
|
[C][C][=Branch1][Ring1][=N][O][C@@H1][C][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][#C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
|
CC(=NO)[C@@H]1C[C@@H]8C1(C)C.C5(=O)C#CC1(C)CC1.C19%10CCCC1.C48=O.N46.C69.C7%10.N57
|
CC(C)=CCC[C@@H](C)NC(=NCCC(C)C)NC[C@@H](C)F
|
CCC)=CCC[C@@H]C)NC=NCCCC)C)))))NC[C@@H]C)F
|
[C][C][Branch1][C][C][=C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][=Branch2][=N][C][C][C][Branch1][C][C][C][N][C][C@@H1][Branch1][C][C][F]
|
N1C(=NCCC(C)C)N2.C=3CC[C@H]1C.C2[C@@H](C)F.CC=3C
|
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