SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
---|---|---|---|
CN(C)[S@@](C)(=O)=Nc1nc(C(=O)N2CC(C)(NC(=O)C[C@]3(C)CCCO3)C2)cs1
|
CNC)[S@@]C)=O)=NcncC=O)NCCC)NC=O)C[C@]C)CCCO5))))))))C4)))))cs5
|
[C][N][Branch1][C][C][S@@][Branch1][C][C][=Branch1][C][=O][=N][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C@][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][Ring1][#C][=C][S][Ring2][Ring1][=Branch1]
|
CN(C)[S@@](C)(=O)=Nc1nc7cs1.N14CC6(C)C1.[C@@]18(C)CCCO1.C5(=O)C8.C47=O.N56
|
C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC(O)(CNC(=O)CCc2cc[nH]n2)C1
|
C[C@@H]OC=O)N[C@H]5C=O)NCCO)CNC=O)CCccc[nH]n5))))))))))C4
|
[C][C@@H1][O][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][C][=C][NH1][N][=Ring1][Branch1][C][Ring1][S]
|
C[C@@H]1OC(=O)N[C@H]16.N13CC8(O)C1.C4(=O)CC7.c17cc[nH]n1.C36=O.C58.N45
|
COCCC[C@H](C)C(=O)N[C@]1(C(=O)N[C@@H]2CN(C)C[C@H]2C)C[C@H](O)C1
|
COCCC[C@H]C)C=O)N[C@]C=O)N[C@@H]CNC)C[C@H]5C))))))))C[C@H]O)C4
|
[C][O][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@][Branch1][P][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][C][C][C][C@H1][Ring1][=Branch1][C][C][C@H1][Branch1][C][O][C][Ring1][#C]
|
C5CC[C@H](C)C3=O.[C@@H]17CN(C)C[C@H]1C.[C@]168C[C@@H](O)C1.C48=O.CO5.N36.N47
|
Cc1ccn(C)c1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@]1(F)CCCOC1
|
CcccnC)c5C=O)N[C@H]COC[C@H]5NC=O)[C@@]F)CCCOC6
|
[C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@][Branch1][C][F][C][C][C][O][C][Ring1][#Branch1]
|
Cc1ccn(C)c16.[C@]17(F)CCCOC1.[C@H]14COC[C@H]15.C26=O.C37=O.N24.N35
|
CCC(CC)CCC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1cccc(N)c1
|
CCCCC))CCC=O)N[C@@H]CCC[C@@H]5NC=O)cccccN)c6
|
[C][C][C][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
|
CCC(CC)CCC2=O.c16cccc(N)c1.[C@@H]14CCC[C@@H]15.C36=O.N24.N35
|
CC[C@@H]1CCN(C(=O)c2cnn(CCNC(=O)C3(OC)CC(C)(C)C3)c2)C1
|
CC[C@@H]CCNC=O)ccnnCCNC=O)COC))CCC)C)C4))))))))c5))))))C5
|
[C][C][C@@H1][C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
C168CC(C)(C)C1.[C@@H]1%11CCN4C1.c19cnn%10c1.C49=O.C%10C7.C58=O.CC%11.N57.O6C
|
Cn1cc(CO)c(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@@]2(C)CCC[C@H]2O)CC3)n1
|
CnccCO))cCNC=O)[C@@H]CC3CCNC=O)[C@@]C)CCC[C@H]5O)))))))CC6)))))))))))n5
|
[C][N][C][=C][Branch1][Ring1][C][O][C][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][C@H1][Ring1][=Branch1][O][C][C][Ring1][#C][=N][Ring2][Ring1][N]
|
[C@@H]17CC12CCN5CC2.Cn1cc%10c9n1.[C@]18(C)CCC[C@H]1O.C47=O.C58=O.C%10O.C69.N46
|
Cc1ncc(CCC(=O)N2C[C@H]3CCC[C@@]3(CNC(=O)[C@@]3(C)CCOC3)C2)o1
|
CcnccCCC=O)NC[C@H]CCC[C@@]5CNC=O)[C@@]C)CCOC5))))))))C8)))))))))))o5
|
[C][C][=N][C][=C][Branch2][Ring2][=Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@@][Ring1][Branch1][Branch1][P][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][C][O][Ring2][Ring1][O]
|
N14C[C@H]2CCC[C@@]29C1.Cc1ncc8o1.[C@]17(C)CCOC1.C8CC4=O.C57=O.C69.N56
|
CCOC(=O)C(C)(C)C(=O)NC[C@H]1C[C@@H]1NC(=O)c1cnc2ccc(C)cc2c1
|
CCOC=O)CC)C)C=O)NC[C@H]C[C@@H]3NC=O)ccnccccC)cc6c%10
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O]
|
c19cnc2ccc(C)cc2c1.C3(=O)C(C)(C)C4=O.[C@H]1%10C[C@@H]18.C59=O.CC6.O36.N47.C7%10.N58
|
Cc1nc(N2CC[C@@]3(CN(C(=O)C=CC4CC4)C[C@H](C)O3)C2)cc2nncn12
|
CcncNCC[C@@]CNC=O)C=CCCC3))))))C[C@H]C)O6)))))C5)))))ccnncn95
|
[C][C][=N][C][Branch2][Ring2][Ring1][N][C][C][C@@][Branch2][Ring1][Branch2][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Ring1][C][C@H1][Branch1][C][C][O][Ring1][=C][C][Ring2][Ring1][C][=C][C][=N][N][=C][N][Ring2][Ring1][O][Ring1][Branch1]
|
N16CC[C@@]2(CN5C[C@H](C)O2)C1.Cc1nc6cc2nncn12.C5(=O)C=7.C=7C1CC1
|
C#CCOCCOCC(=O)NCC1(C)CCN(C(=O)C[C@@H]2CCC23CCC3)CC1
|
C#CCOCCOCC=O)NCCC)CCNC=O)C[C@@H]CCC4CCC4)))))))))CC6
|
[C][#C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][C][C][C][Ring1][Ring2][C][C][C][Ring1][Ring2][C][C][Ring1][P]
|
C1%11(C)CCN5CC1.[C@@H]1%12CCC12CCC2.C9C4=O.C5(=O)C%12.C#CC6.C7C8.O67.O89.N4%10.C%10%11
|
COc1ccc(OCC(=O)NCC[C@H](C)N(C)C(=O)C=CC(N)=O)cc1
|
COccccOCC=O)NCC[C@H]C)NC)C=O)C=CCN)=O)))))))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Branch2]
|
c15ccc6cc1.C7C[C@@H]8C.C4C2=O.C3(=O)C=9.C=9C(N)=O.N38C.CO5.O46.N27
|
O=C(CCCCO)NC[C@@H]1[C@H]2CCC[C@H]1N(C(=O)C1CC3(C1)CC3(F)F)C2
|
O=CCCCCO)))))NC[C@@H][C@H]CCC[C@H]6NC=O)CCCC4)CC3F)F)))))))C7
|
[O][=C][Branch1][=Branch1][C][C][C][C][O][N][C][C@@H1][C@H1][C][C][C][C@H1][Ring1][=Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F][C][Ring1][P]
|
[C@@H]18[C@H]2CCC[C@H]1N5C2.C17CC2(C1)CC2(F)F.O=C4CCCCO.C57=O.N46.C68
|
CC(=O)OCCC(=O)NC1(CNC(=O)[C@H]2CC[C@H]3C[C@H]32)CC(F)(F)C1
|
CC=O)OCCC=O)NCCNC=O)[C@H]CC[C@H]C[C@H]36)))))))))CCF)F)C4
|
[C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][C][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][C][C@H1][Ring1][Ring1][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][S]
|
C18%11CC(F)(F)C1.[C@H]1%10CC[C@H]2C[C@H]21.C7CC5=O.CC4=O.C6%10=O.O47.N58.C9%11.N69
|
Cn1cc(C(=O)N2CC(N3C[C@H](NC(=O)CCC(C)(F)F)CC3=O)C2)ccc1=O
|
CnccC=O)NCCNC[C@H]NC=O)CCCC)F)F))))))CC5=O))))))C4)))))ccc6=O
|
[C][N][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch2][N][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][F][F][C][C][Ring1][=C][=O][C][Ring2][Ring1][Ring1][C][=C][C][Ring2][Ring1][O][=O]
|
Cn1cc7ccc1=O.C5(=O)CCC(C)(F)F.N18C[C@H]6CC1=O.N14CC8C1.C47=O.N56
|
CC(C)CC(=O)N1CCCC[C@@H](NC(=O)Cn2ncnn2)C1
|
CCC)CC=O)NCCCC[C@@H]NC=O)Cnncnn5))))))))C7
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1][C][Ring1][S]
|
N13CCCC[C@@H]5C1.CC(C)CC3=O.n16ncnn1.C4(=O)C6.N45
|
CC1(C)[C@H](CNC(=O)C[C@H]2C[C@@H]2C2CC2)[C@@H]1C(=O)NOCCOCCO
|
CCC)[C@H]CNC=O)C[C@H]C[C@@H]3CCC3))))))))))[C@@H]3C=O)NOCCOCCO
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][Ring1][Ring1][C@@H1][Ring1][#C][C][=Branch1][C][=O][N][O][C][C][O][C][C][O]
|
CC1(C)[C@H]9[C@@H]18.[C@H]1%10C[C@@H]1C1CC1.C8(=O)NO4.C3(=O)C%10.C4C5.C6CO.C79.N37.O56
|
COc1cc(CN2CC=C(CNC(=O)CCCC(F)(F)F)CC2)on1
|
COcccCNCC=CCNC=O)CCCCF)F)F))))))))CC6)))))))on5
|
[C][O][C][C][=C][Branch2][Ring1][=C][C][N][C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][P][O][N][=Ring2][Ring1][#Branch1]
|
C3(=O)CCCC(F)(F)F.N15CC=C(C6)CC1.c14cc7on1.CO4.C57.N36
|
CC1(C)[C@@H](Nc2ncnc3[nH]ccc23)C[C@H]1NC(=O)c1nccnc1Cl
|
CCC)[C@@H]Ncncnc[nH]ccc95))))))))))C[C@H]4NC=O)cnccnc6Cl
|
[C][C][Branch1][C][C][C@@H1][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl]
|
c15ncnc2[nH]ccc12.CC1(C)[C@H]7C[C@@H]16.c18nccnc1Cl.C48=O.N56.N47
|
Nc1ncnc2c1ncn2CCC(=O)NCc1nc(Cl)ccc1F
|
Ncncncc6ncn5CCC=O)NCcncCl)ccc6F
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F]
|
Nc1ncnc2c1ncn25.c16nc(Cl)ccc1F.C5CC3=O.N34.C46
|
N#Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H](NC(=O)c4nccs4)CC[C@H]3C2)c(O)c1
|
N#CccccC=O)NCC[C@@H]C[C@@H]NC=O)cnccs5)))))))CC[C@H]6C%10)))))))))))cO)c6
|
[N][#C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=N][C][=C][S][Ring1][Branch1][C][C][C@H1][Ring1][=C][C][Ring2][Ring1][C][C][Branch1][C][O][=C][Ring2][Ring1][O]
|
N15CC[C@@H]2C[C@@H]7CC[C@H]2C1.N#Cc1ccc9c(O)c1.c18nccs1.C59=O.C68=O.N67
|
CCC[C@](C)(CC)C(=O)N1CC[C@](C)(CC(=O)N2Cc3ccc(C)nc3C2)C1
|
CCC[C@]C)CC))C=O)NCC[C@]C)CC=O)NCccccC)nc6C9)))))))))))C5
|
[C][C][C][C@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
N15Cc2ccc(C)nc2C1.CCC[C@](C)(CC)C4=O.N14CC[C@@]6(C)C1.C6C5=O
|
C=CCn1nnnc1[C@](C)(Nc1ccc(CN(C)C)cc1C)[C@@H](C)OC
|
C=CCnnnnc5[C@]C)NccccCNC)C)))cc6C))))))))[C@@H]C)OC
|
[C][=C][C][N][N][=N][N][=C][Ring1][Branch1][C@][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C@@H1][Branch1][C][C][O][C]
|
c15ccc8cc1C.n16nnnc17.[C@]37(C)[C@H]2C.C=CC6.N4(C)C.N35.C48.O2C
|
CCC1=NO[C@H](C(=O)NC[C@H]2C[C@H]2NC(=O)c2occ3c2CCCC3)C1
|
CCC=NO[C@H]C=O)NC[C@H]C[C@H]3NC=O)coccc5CCCC6)))))))))))))))))C5
|
[C][C][C][=N][O][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch2]
|
c19occ2c1CCCC2.CCC1=NO[C@H]8C1.[C@H]1%10C[C@H]17.C48=O.C59=O.N46.C6%10.N57
|
C[C@@H]1NC(=O)C2=C1N(C[C@H]1CCCO1)C(=O)N[C@@H]2c1cccc2sccc12
|
C[C@@H]NC=O)C=C5NC[C@H]CCCO5))))))C=O)N[C@@H]6cccccsccc95
|
[C][C@@H1][N][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Ring1][=N][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]
|
C[C@@H]1NC(=O)C2=C1N3C(=O)N[C@@H]25.c15cccc2sccc12.[C@H]14CCCO1.C34
|
CCC[C@H](O)CN(C)C(=O)[C@H](C)CNC(=O)CCCN=[N+]=[N-]
|
CCC[C@H]O)CNC)C=O)[C@H]C)CNC=O)CCCN=[N+]=[N-]
|
[C][C][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][=N+1][=N-1]
|
C2(=O)CCCN=[N+]=[N-].CCC[C@H](O)C3.C1(=O)[C@H](C)C4.N13C.N24
|
C[C@H](CC(=O)N1CCN(C(=O)[C@]2(F)C[C@H]2C)CC12CC2)c1ccccc1
|
C[C@H]CC=O)NCCNC=O)[C@]F)C[C@H]3C)))))CC6CC3))))))))))cccccc6
|
[C][C@H1][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@][Branch1][C][F][C][C@H1][Ring1][Ring2][C][C][C][Ring1][=N][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
N13CCN4CC12CC2.C[C@@H]6CC3=O.c16ccccc1.[C@@]15(F)C[C@H]1C.C45=O
|
COCCC1(NC(=O)c2[nH]nnc2C)CCN(C(=O)[C@H](C)Cn2ccnc2)CC1
|
COCCCNC=O)c[nH]nnc5C))))))))CCNC=O)[C@H]C)Cnccnc5))))))))CC6
|
[C][O][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][=Branch2]
|
C169CCN4CC1.c17[nH]nnc1C.C4(=O)[C@H](C)C8.n18ccnc1.C5C9.C37=O.CO5.N36
|
COCc1cncc(C(=O)N[C@]2(CF)CCN(c3nc4ccc(F)cc4o3)C2)c1
|
COCccnccC=O)N[C@]CF))CCNcnccccF)cc6o9)))))))))C5)))))))c6
|
[C][O][C][C][=C][N][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@][Branch1][Ring1][C][F][C][C][N][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][Ring1][P][=C][Ring2][Ring1][#Branch2]
|
c18nc2ccc(F)cc2o1.c1%11cncc9c1.[C@@]17%10CCN8C1.C59=O.CO6.C6%11.N57.C%10F
|
CC1(C)C[C@@]1(Cl)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)C1
|
CCC)C[C@@]3Cl)C=O)NC[C@H]CCNC=O)ccccF)ccF)cc6[nH]9))))))))))C5
|
[C][C][Branch1][C][C][C][C@@][Ring1][Ring2][Branch1][C][Cl][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O][C][Ring2][Ring1][C]
|
c17cc2c(F)cc(F)cc2[nH]1.CC1(C)C[C@]18Cl.[C@H]19CCN5C1.C48=O.C57=O.N46.C69
|
CCc1cc([C@H](C(=O)NC2CC(F)(F)C2)N2CCS[C@H]3CC[C@H]32)ccc1C
|
CCccc[C@H]C=O)NCCCF)F)C4))))))NCCS[C@H]CC[C@H]48)))))))))ccc6C
|
[C][C][C][=C][C][Branch2][Ring2][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][N][C][C][S][C@H1][C][C][C@H1][Ring1][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][Branch2][C]
|
c17cc8ccc1C.N15CCS[C@H]2CC[C@H]21.C16CC(F)(F)C1.[C@@H]58C4=O.CC7.N46
|
Cn1cc(SCC(=O)N2CCC3(CCCN3C(=O)[C@H](F)CC3CCC3)CC2)cn1
|
CnccSCC=O)NCCCCCCN5C=O)[C@H]F)CCCCC4)))))))))))CC6)))))))))cn5
|
[C][N][C][=C][Branch2][Ring2][Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][N]
|
N14CCC2(CCCN25)CC1.Cn1cc8cn1.C5(=O)[C@H](F)C7.C6C4=O.C17CCC1.S68
|
CC(C)(C)OC(=O)N1CCO[C@@H]2CN(N3CCO[C@@H](C(F)F)CC3)C[C@@H]21
|
CCC)C)OC=O)NCCO[C@@H]CNNCCO[C@@H]CF)F))CC7)))))))C[C@@H]59
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][O][C@@H1][C][N][Branch1][P][N][C][C][O][C@@H1][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][#Branch2][C][C@@H1][Ring1][#C][Ring2][Ring1][Ring1]
|
N15CCO[C@@H]2CN(N3CCO[C@@H]7CC3)C[C@@H]21.CC6(C)C.C45=O.C7(F)F.O46
|
CC(C)OC[C@H](O)CNC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1
|
CCC)OC[C@H]O)CNC=O)C[S@@+][O-])Ccccccc6))))))cccccc6
|
[C][C][Branch1][C][C][O][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][S@@+1][Branch1][C][O-1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C2(=O)C[S@@+]([O-])C67.c16ccccc1.c17ccccc1.C4[C@H](O)C5.CC3C.O34.N25
|
O=C(NCCC[C@H](O)C(=O)NCC1(O)CCOCC1)C1=COCCC1
|
O=CNCCC[C@H]O)C=O)NCCO)CCOCC6))))))))))))))C=COCCC6
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][C][=C][O][C][C][C][Ring1][=Branch1]
|
O=C2C1=COCCC1.C4CC[C@H](O)C3=O.C16(O)CCOCC1.N24.N35.C56
|
Cc1nn(C)cc1C(=O)N[C@](C)(CNC(=O)C1(C)CC(C)C1)C(C)C
|
CcnnC)cc5C=O)N[C@]C)CNC=O)CC)CCC)C4)))))))CC)C
|
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][C][C]
|
Cc1nn(C)cc17.[C@]4(C)(C5)C(C)C.C16(C)CC(C)C1.C27=O.C36=O.N24.N35
|
O=C(NCC1(O)CN(C(=O)[C@@]2(CO)CCCO2)C1)C1CC(N2CC(O)C2)C1
|
O=CNCCO)CNC=O)[C@@]CO))CCCO5))))))C4))))))CCCNCCO)C4))))C4
|
[O][=C][Branch2][Ring1][=N][N][C][C][Branch1][C][O][C][N][Branch1][S][C][=Branch1][C][=O][C@@][Branch1][Ring1][C][O][C][C][C][O][Ring1][#Branch1][C][Ring1][=C][C][C][C][Branch1][#Branch2][N][C][C][Branch1][C][O][C][Ring1][Branch1][C][Ring1][=Branch2]
|
C1%10(O)CN4C1.[C@]179CCCO1.C18CC6C1.N16CC(O)C1.O=C38.C47=O.N35.C5%10.C9O
|
C=C1C[C@@H]1C(=O)N1CC[C@]2(CCCN(C(=O)[C@@H]3CC[C@@H]4[C@@H](C3)C4(F)F)C2)C1
|
C=CC[C@@H]3C=O)NCC[C@]CCCNC=O)[C@@H]CC[C@@H][C@@H]C6)C3F)F))))))))C6)))))C5
|
[C][=C][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][S][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][Ring2][Branch1][C][F][F][C][Ring1][P][C][Ring2][Ring1][Branch1]
|
N15CC[C@]2(CCCN6C2)C1.[C@@H]18CC[C@@H]2[C@@H](C1)C2(F)F.C=C1C[C@@H]17.C57=O.C68=O
|
CCOC(=O)CCCC(=O)N1CC[C@](CO)(C(=O)N2CCCN(CC)C(=O)C2)C1
|
CCOC=O)CCCC=O)NCC[C@]CO))C=O)NCCCNCC))C=O)C7))))))))C5
|
[C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][Ring1][C][O][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
N15CCCN8C(=O)C1.C3(=O)CCCC4=O.N14CC[C@@]79C1.C57=O.CC6.O36.C9O.C8C
|
CCSc1ccccc1C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C2OCCO2)s1
|
CCScccccc6C=O)NCC[C@@H]4CNC=O)ccncCOCCO5)))))s5
|
[C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][S][Ring1][#Branch2]
|
c1%10ccccc18.c17cnc%11s1.N13CC[C@@H]19.C1%11OCCO1.C38=O.C47=O.CC6.S6%10.C59.N45
|
NC(=O)[C@@H]1CCN(C(=O)C[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2coc(CO)c2)C1
|
NC=O)[C@@H]CCNC=O)C[C@@H][C@H]CC[C@H]C5)N6C=O)ccocCO))c5))))))))))))))C5
|
[N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][C@@H1][C@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch2]
|
[C@@H]18[C@H]2CC[C@H](C2)N15.[C@@H]16CCN4C1.c17coc9c1.C4(=O)C8.NC6=O.C57=O.C9O
|
C[C@@H]1CCC[C@H](N[C@H](C)c2cc3sccc3s2)C1
|
C[C@@H]CCC[C@H]N[C@H]C)cccsccc5s8))))))))))C6
|
[C][C@@H1][C][C][C][C@H1][Branch2][Ring1][C][N][C@H1][Branch1][C][C][C][=C][C][S][C][=C][C][=Ring1][Branch1][S][Ring1][Branch2][C][Ring1][P]
|
c16cc2sccc2s1.C[C@@H]1CCC[C@H]5C1.[C@H]46C.N45
|
CCN1CCN(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)[C@@H](C)C1
|
CCNCCNC=O)N[C@@H]C[C@@H]O)C4CCOCC6)))))))))))[C@@H]C)C6
|
[C][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][C][O][C][C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring2]
|
[C@@H]17C[C@@H](O)C12CCOCC2.N16CCN4[C@@H](C)C1.C45=O.CC6.N57
|
C=CCC[C@H](NC(=O)Cc1ccc(O)nc1)C(=O)N1CCN(C(C)C)CC1
|
C=CCC[C@H]NC=O)CccccO)nc6)))))))))C=O)NCCNCC)C))CC6
|
[C][=C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2]
|
C=CCC[C@H]4C3=O.c16ccc(O)nc1.N13CCN5CC1.C2(=O)C6.C5(C)C.N24
|
CC(C)(C(N)=O)C(=O)NC/C=C/CNC(=O)c1cnc2n1CCOC2
|
CCC)CN)=O))C=O)NC/C=C/CNC=O)ccncn5CCOC6
|
[C][C][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][O][C][Ring1][=Branch1]
|
c17cnc2n1CCOC2.CC(C)(C3=O)C(N)=O.C5C=8.C=8C6.C47=O.N35.N46
|
CC(=O)c1ncc(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@H](C)c2ccsc2)s1
|
CC=O)cnccC=O)NCCC[C@@H]5CNC)C=O)[C@H]C)cccsc5)))))))))))))))s5
|
[C][C][=Branch1][C][=O][C][=N][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][S][Ring2][Ring1][Branch2]
|
c16ncc7s1.N13CCC[C@@H]18.C4(=O)[C@@H]9C.c19ccsc1.CC6=O.C37=O.N45C.C58
|
CC[C@H](O)c1cn([C@@H](CCC(N)=O)C(=O)N(C)C2(COC)CC2)nn1
|
CC[C@H]O)ccn[C@@H]CCCN)=O))))C=O)NC)CCOC)))CC3))))))nn5
|
[C][C][C@H1][Branch1][C][O][C][=C][N][Branch2][Ring1][=N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring2][C][O][C][C][C][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch1]
|
[C@H]6(CCC(N)=O)C3=O.c17cn6nn1.CC[C@@H]7O.C158CC1.N35C.C48.O4C
|
O=C(NC[C@@H]1CO[C@@H](CN=c2cc[nH]cc2[N+](=O)[O-])C1)[C@H]1CCCc2c[nH]nc21
|
O=CNC[C@@H]CO[C@@H]CN=ccc[nH]cc6[N+]=O)[O-]))))))))))C5)))))))[C@H]CCCcc[nH]nc59
|
[O][=C][Branch2][Ring1][O][N][C][C@@H1][C][O][C@@H1][Branch1][S][C][N][=C][C][=C][NH1][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring1][S][C@H1][C][C][C][C][=C][NH1][N][=C][Ring1][Branch1][Ring1][=Branch2]
|
O=C3[C@H]1CCCc2c[nH]nc21.C5N=c1cc[nH]cc1[N+](=O)[O-].[C@@H]16CO[C@@H]5C1.N34.C46
|
C=CCN=c1[nH]cc(C(=O)N[C@@H](CNC(=O)c2[nH]cnc2C)C2CC2)s1
|
C=CCN=c[nH]ccC=O)N[C@@H]CNC=O)c[nH]cnc5C)))))))))CCC3))))))s5
|
[C][=C][C][N][=C][NH1][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring1][S][Ring2][Ring1][=Branch1]
|
C=CCN=c1[nH]cc7s1.c18[nH]cnc1C.[C@@H]59C6.C37=O.C48=O.C19CC1.N35.N46
|
CN(C)C(=O)C(=O)N1CCN(C(=O)C[C@H]2CC=CCC2)[C@@H](C2CC2)C1
|
CNC)C=O)C=O)NCCNC=O)C[C@H]CC=CCC6))))))))[C@@H]CCC3)))C6
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@H1][C][C][=C][C][C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C]
|
N14CCN5[C@@H]7C1.[C@H]16CC=CCC1.C3(=O)C4=O.C5(=O)C6.CN3C.C17CC1
|
CCN(CC)c1ccnc(NNC(=O)NC[C@H]2NC(=O)OC2(C)C)n1
|
CCNCC))cccncNNC=O)NC[C@H]NC=O)OC5C)C)))))))))))n6
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=O][N][C][C@H1][N][C][=Branch1][C][=O][O][C][Ring1][=Branch1][Branch1][C][C][C][=N][Ring2][Ring1][Ring2]
|
c17ccnc(NNC3=O)n1.[C@H]18NC(=O)OC1(C)C.N457.CC4.C5C.N36.C68
|
N=c1[nH]c2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3NC(=O)[C@@]3(O)CCSC3)cc2[nH]1
|
N=c[nH]ccccC=O)NC[C@@H]CCCC[C@@H]6NC=O)[C@@]O)CCSC5))))))))))))))))cc6[nH]9
|
[N][=C][NH1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][S][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N]
|
N=c1[nH]c2ccc9cc2[nH]1.[C@@H]1%10CCCC[C@@H]17.[C@]18(O)CCSC1.C49=O.C58=O.N46.C6%10.N57
|
CN(CC1(NC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)CC1)C(=O)C(=O)NCC(F)(F)F
|
CNCCNC=O)[C@@H][C@H]CCC=O)[C@H]56))))))))CC3))))C=O)C=O)NCCF)F)F
|
[C][N][Branch2][Ring1][N][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C][=Branch1][C][=O][C@H1][Ring1][=Branch1][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F]
|
[C@@H]1%10[C@H]2CCC(=O)[C@@H]12.C5(=O)C6=O.C9C(F)(F)F.C18%11CC1.CN57.C4%10=O.C7%11.N48.N69
|
CO[C@H]1CN(Cc2ccc(C(=O)O)cc2)CC[C@H]1NC(=O)c1ccc(F)cc1I
|
CO[C@H]CNCccccC=O)O))cc6)))))))CC[C@H]6NC=O)ccccF)cc6I
|
[C][O][C@H1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][C@H1][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][I]
|
[C@H]14CN5CC[C@H]16.c18ccc(F)cc1I.c19ccc7cc1.C7(=O)O.C38=O.CO4.C59.N36
|
CC(C)C[C@H](C)NC(=O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@H]2NC(=O)C[C@H](C)n1cccc1
|
CCC)C[C@H]C)NC=O)[C@H][C@H]C[C@@H][C@H]5[C@@H]3[C@H]6NC=O)C[C@H]C)ncccc5
|
[C][C][Branch1][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C@H1][C][C@@H1][C@H1][Ring1][Branch1][C@@H1][Ring1][Ring1][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1]
|
[C@H]18[C@H]2C[C@H]3[C@@H]([C@H]27)[C@@H]13.CC(C)C[C@@H]6C.C5(=O)C[C@@H]9C.n19cccc1.C48=O.N46.N57
|
Cc1cn2nc(N3CC[C@H](C)[C@@H]3CNC(=O)CC[S@@+](C)[O-])sc2n1
|
CccnncNCC[C@H]C)[C@@H]5CNC=O)CC[S@@+]C)[O-]))))))))))))sc5n8
|
[C][C][=C][N][N][=C][Branch2][Ring1][Branch2][N][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][S@@+1][Branch1][C][C][O-1][S][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][#Branch1]
|
Cc1cn2nc6sc2n1.N16CC[C@H](C)[C@@H]17.C4(=O)CC[S@@+](C)[O-].C57.N45
|
CCc1ccccc1C(=O)NC1CC(N(C)C(=O)C[C@H]2COc3ccccc32)C1
|
CCcccccc6C=O)NCCCNC)C=O)C[C@H]COcccccc69))))))))))))C4
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring2][Ring1][C]
|
C5(=O)C[C@H]1COc2ccccc21.c19ccccc18.C16CC7C1.C48=O.N57C.CC9.N46
|
C[C@@H](NC(=O)CSc1nnc(S)s1)c1cnn(CC2CCC2)c1
|
C[C@@H]NC=O)CScnncS)s5)))))))))ccnnCCCCC4)))))c5
|
[C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][C][C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][=Ring1][#Branch2]
|
c19nnc(S)s1.c18cnn6c1.C3(=O)C5.C17CCC1.C[C@@H]48.N34.S59.C67
|
C[C@@H]1CC[C@H](CCC(=O)N[C@H](C)[C@@H]2CCN(C(=O)C3CCC(F)CC3)C2)O1
|
C[C@@H]CC[C@H]CCC=O)N[C@H]C)[C@@H]CCNC=O)CCCCF)CC6)))))))C5))))))))))O5
|
[C][C@@H1][C][C][C@H1][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][Ring1][=C][O][Ring2][Ring1][#Branch2]
|
C17CCC(F)CC1.C[C@@H]1CC[C@H]8O1.[C@@H]19CCN5C1.C8CC4=O.[C@H]69C.C57=O.N46
|
CSCC(=O)N[C@@H](CNC(=O)c1ccc2c(c1)N(C)CCO2)c1cccc(C)c1
|
CSCC=O)N[C@@H]CNC=O)cccccc6)NC)CCO6))))))))))))cccccC)c6
|
[C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][O][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
|
c18ccc2c(c1)N(C)CCO2.c19cccc(C)c1.C7C3=O.[C@@H]59C6.C48=O.CS7.N35.N46
|
C[C@@H]1CN(C(=O)CC2(CO)CC2)CC[C@H]1N(C)C(=O)Cc1cccc2sccc12
|
C[C@@H]CNC=O)CCCO))CC3)))))CC[C@H]6NC)C=O)Ccccccsccc95
|
[C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][C][C@H1][Ring1][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]
|
c18cccc2sccc12.C[C@@H]1CN3CC[C@H]15.C3(=O)C6.C167CC1.C4(=O)C8.N45C.C7O
|
C[C@H](CCN(C)C(=O)[C@](C)(O)CC(F)(F)F)NC(=O)/C(F)=C\c1ccccc1
|
C[C@H]CCNC)C=O)[C@]C)O)CCF)F)F))))))))NC=O)/CF)=C\cccccc6
|
[C][C@H1][Branch2][Ring1][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][/C][Branch1][C][F][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C2(=O)[C@](C)(O)CC(F)(F)F.C=6c1ccccc1.C[C@@H]4CC5.C3(=O)C=6F.N25C.N34
|
Cc1cnc(N2CCC(O)(C(=O)NCCN3CCC(CO)CC3)CC2)nc1
|
CccncNCCCO)C=O)NCCNCCCCO))CC6))))))))))CC6))))))nc6
|
[C][C][=C][N][=C][Branch2][Ring2][Ring1][N][C][C][C][Branch1][C][O][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][C][C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][#Branch2]
|
N17CCC8(O)CC1.Cc1cnc7nc1.N16CCC9CC1.C48=O.C5C6.N45.C9O
|
NC(=O)NC1(C(=O)N[C@]23C[C@H]2CN(C(=O)COC2CCC2)C3)CCCCC1
|
NC=O)NCC=O)N[C@]C[C@H]3CNC=O)COCCCC4)))))))C6))))))))CCCCC6
|
[N][C][=Branch1][C][=O][N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@][C][C@H1][Ring1][Ring1][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][C][C][C][C][Ring1][Ring2][C][Ring1][=C][C][C][C][C][C][Ring2][Ring1][#Branch1]
|
C19%11CCCCC1.[C@]12%10C[C@H]1CN6C2.C6(=O)C7.C18CCC1.NC4=O.C5%11=O.N49.N5%10.O78
|
COCc1cc(C(=O)NC2C(C)(C)C(NC(=O)CC3(CO)CC3)C2(C)C)n[nH]1
|
COCcccC=O)NCCC)C)CNC=O)CCCO))CC3))))))C4C)C)))))))n[nH]5
|
[C][O][C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][Ring1][#C][Branch1][C][C][C][=N][NH1][Ring2][Ring1][=Branch2]
|
C17C(C)(C)C8C1(C)C.c1%10cc9n[nH]1.C5(=O)C%11.C1%11%12CC1.C49=O.CO6.C6%10.N47.N58.C%12O
|
CCOC1(C)CN(C(=O)[C@@]2(NC(=O)[C@@H](CN(C)C)N(C)C)CCSC2)C1
|
CCOCC)CNC=O)[C@@]NC=O)[C@@H]CNC)C)))NC)C)))))CCSC5))))))C4
|
[C][C][O][C][Branch1][C][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][N][Branch1][C][C][C][C][C][S][C][Ring1][S][C][Ring2][Ring1][#Branch1]
|
C16(C)CN3C1.[C@@]17%10CCSC1.C4(=O)[C@H]8C9.C3%10=O.N9(C)C.N8(C)C.CC5.O56.N47
|
CCC1=NO[C@H](C(=O)N[C@H](C)C2CN(C(=O)CC3(CO)CCCCC3)C2)C1
|
CCC=NO[C@H]C=O)N[C@H]C)CCNC=O)CCCO))CCCCC6))))))))C4)))))))C5
|
[C][C][C][=N][O][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][C][C][C][C][C][Ring1][Branch2][C][Ring1][#C][C][Ring2][Ring1][=Branch2]
|
CCC1=NO[C@H]7C1.C19%10CCCCC1.C18CN5C1.C5(=O)C9.C47=O.[C@H]68C.N46.C%10O
|
O=C1OCc2cccc(CN3CC[C@@H]3c3ccc(F)c(F)c3)c21
|
O=COCcccccCNCC[C@@H]4ccccF)cF)c6)))))))))))c69
|
[O][=C][O][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][C@@H1][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1]
|
O=C1OCc2cccc5c21.c16ccc(F)c(F)c1.N14CC[C@@H]16.C45
|
COCc1cc[nH]c1C(=O)N1CC=C[C@@H](NC(=O)c2cnn(CCN(C)C)c2)C1
|
COCccc[nH]c5C=O)NCC=C[C@@H]NC=O)ccnnCCNC)C))))c5)))))))C6
|
[C][O][C][C][C][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
N13CC=C[C@@H]7C1.c1%11cc[nH]c18.c19cnn%10c1.C38=O.C49=O.C%10C6.N6(C)C.CO5.C5%11.N47
|
CSc1cc(C(=O)NC[C@H](C)NC(=O)Cc2c(C)cc(Br)cc2C)co1
|
CScccC=O)NC[C@H]C)NC=O)CccC)ccBr)cc6C))))))))))))))co5
|
[C][S][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=C][O][Ring2][Ring1][Branch2]
|
c18c(C)cc(Br)cc1C.c19cc7co1.C5[C@@H]6C.C4(=O)C8.C37=O.CS9.N35.N46
|
Cc1ccc(C(=O)N2CC[C@@H](C)N(C(=O)C[C@H](C)C(F)(F)F)CC2)c(F)c1C
|
CccccC=O)NCC[C@@H]C)NC=O)C[C@H]C)CF)F)F)))))CC7))))))))cF)c6C
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][P][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2][C]
|
Cc1ccc5c(F)c1C.N13CC[C@@H](C)N4CC1.C4(=O)C[C@H](C)C(F)(F)F.C35=O
|
Cc1ccoc1C(=O)N1CCCC[C@H](NC(=O)C(=O)c2cnn(C(C)(C)C)c2)C1
|
Ccccoc5C=O)NCCCC[C@H]NC=O)C=O)ccnnCC)C)C))c5))))))))C7
|
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][Ring2][Ring1][Branch1]
|
N13CCCC[C@H]5C1.Cc1ccoc16.c17cnn8c1.C4(=O)C7=O.C8(C)(C)C.C36=O.N45
|
CS(=O)(=O)N1CCC[C@H]1C(=O)NC12COC(CNC(=O)[C@H](O)CC(F)(F)F)(C1)C2
|
CS=O)=O)NCCC[C@H]5C=O)NCCOCCNC=O)[C@H]O)CCF)F)F)))))))C5)C5
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F][Branch1][Ring2][C][Ring1][S][C][Ring1][P]
|
C4(=O)[C@H](O)CC(F)(F)F.C127COC9(C1)C2.N16CCC[C@H]18.CS6(=O)=O.C38=O.N37.C59.N45
|
COC[C@H](CNC(=O)C[C@@H]1CCOC1(C)C)NC(=O)c1sccc1C#N
|
COC[C@H]CNC=O)C[C@@H]CCOC5C)C))))))))))NC=O)csccc5C#N
|
[C][O][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][O][C][Ring1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][#N]
|
[C@@H]18CCOC1(C)C.c17sccc1C#N.C4[C@@H]5C6.C2(=O)C8.C37=O.CO4.N26.N35
|
CC(=O)c1cccc(Sc2ncc(I)c3cc(Br)ccc23)c1
|
CC=O)cccccScnccI)cccBr)ccc%106)))))))))))c6
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][C][=N][C][=C][Branch1][C][I][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][N][Ring1][#Branch1][=C][Ring2][Ring1][Ring1]
|
c15ncc(I)c2cc(Br)ccc12.c14cccc6c1.CC4=O.S56
|
CN(CC(C)(C)NC(=O)/C=C/c1ccoc1)C(=O)c1cccc(C(N)=O)c1F
|
CNCCC)C)NC=O)/C=C/cccoc5)))))))))))C=O)cccccCN)=O))c6F
|
[C][N][Branch2][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][F]
|
c16cccc7c1F.C=8c1ccoc1.C4C5(C)C.C2(=O)C=8.CN34.C36=O.C7(N)=O.N25
|
C=C[C@](C)(O)CC(=O)N1CCN(C(=O)[C@@H]2CCCCN2CC)C[C@H](C)C1
|
C=C[C@]C)O)CC=O)NCCNC=O)[C@@H]CCCCN6CC)))))))))C[C@H]C)C7
|
[C][=C][C@][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring2][Ring1][C]
|
N13CCN4C[C@H](C)C1.C=C[C@](C)(O)CC3=O.[C@@H]16CCCCN15.C46=O.C5C
|
CC(C)c1cccc(C(=O)N2CC[C@@H](NC(=O)C[C@H]3OCCC3(C)C)C2(C)C)n1
|
CCC)cccccC=O)NCC[C@@H]NC=O)C[C@H]OCCC5C)C)))))))))C5C)C)))))))n6
|
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@H1][O][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][S][Branch1][C][C][C][=N][Ring2][Ring1][#Branch2]
|
N14CC[C@@H]6C1(C)C.c19cccc7n1.[C@H]18OCCC1(C)C.C5(=O)C8.CC9C.C47=O.N56
|
O=C(N[C@@H](CO)C(=O)N1CCC(O)(CO)CC1)[C@H]1CC(=O)C12CCC2
|
O=CN[C@@H]CO))C=O)NCCCO)CO))CC6)))))))))[C@H]CC=O)C4CCC4
|
[O][=C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][C][Ring1][=Branch2][C@H1][C][C][=Branch1][C][=O][C][Ring1][Branch1][C][C][C][Ring1][Ring2]
|
N14CCC7(O)CC1.[C@H]16CC(=O)C12CCC2.[C@H]5(CO)C4=O.O=C36.N35.C7O
|
COc1cccc(OCC(=O)N[C@H](C)CC2CN(C(=O)CCc3cnco3)C2)c1
|
COcccccOCC=O)N[C@H]C)CCCNC=O)CCccnco5))))))))C4))))))))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][C][O][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][N][=C][O][Ring1][Branch1][C][Ring1][=N][=C][Ring2][Ring1][O]
|
c17cccc8c1.C1%11CN5C1.C5(=O)CC%10.c1%10cnco1.C6C4=O.[C@@H]9(C)C%11.CO7.O68.N49
|
C=CC[C@@H](CNC(=O)c1c(Br)cnn1C)NC(=O)c1c(C)nc(CC)nc1C
|
C=CC[C@@H]CNC=O)ccBr)cnn5C)))))))))NC=O)ccC)ncCC))nc6C
|
[C][=C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][Ring1][C][C][N][=C][Ring1][=Branch2][C]
|
c17c(C)nc8nc1C.c16c(Br)cnn1C.C=CC[C@H]4C5.C26=O.C37=O.N25.N34.C8C
|
C[C@@H]1C[C@H](C(=O)NCCOC2CN(C(=O)CCCC(C)(C)C)C2)C[C@H](C)O1
|
C[C@@H]C[C@H]C=O)NCCOCCNC=O)CCCCC)C)C))))))C4)))))))))C[C@H]C)O6
|
[C][C@@H1][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][C][C@H1][Branch1][C][C][O][Ring2][Ring1][#Branch2]
|
C4(=O)CCCC(C)(C)C.C[C@@H]1C[C@H]8C[C@H](C)O1.C16CN4C1.C38=O.C7C5.N37.O56
|
COCCC1(C(=O)N2CCC[C@@](O)(CNC(=O)Cc3cnoc3)C2)CCC1
|
COCCCC=O)NCCC[C@@]O)CNC=O)Cccnoc5)))))))))C6)))))))CCC4
|
[C][O][C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][O][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][=N][O][C][=Ring1][Branch1][C][Ring1][P][C][C][C][Ring2][Ring1][#Branch1]
|
N14CCC[C@]%10(O)C1.C189CCC1.c1%11cnoc1.C5(=O)C%11.C6C9.C48=O.CO6.C7%10.N57
|
CSc1ccc(Cl)c(C(=O)N2CC=C[C@@H]2CNC(=O)Cc2ccc(Cl)cn2)c1
|
CSccccCl)cC=O)NCC=C[C@@H]5CNC=O)CccccCl)cn6))))))))))))))))c6
|
[C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2]
|
c19ccc(Cl)c6c1.c18ccc(Cl)cn1.N13CC=C[C@@H]17.C4(=O)C8.C36=O.CS9.C57.N45
|
CNS(=O)(=O)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCCC(F)(F)CO)C1
|
CNS=O)=O)CCC=O)N[C@H]C)[C@H]CCNC=O)CCCCF)F)CO)))))))C5
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][O][C][Ring1][#C]
|
C3(=O)CCCC(F)(F)CO.S5(=O)(=O)CCC2=O.[C@H]16CCN3C1.[C@H]46C.CN5.N24
|
Cc1cc(N)cnc1C(=O)N[C@@H](C)[C@@H](C)C(=O)NCCC1CC1
|
CcccN)cnc6C=O)N[C@@H]C)[C@@H]C)C=O)NCCCCC3
|
[C][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Ring1]
|
Cc1cc(N)cnc16.[C@H]4(C)[C@@H](C)C3=O.C26=O.C5C7.C17CC1.N24.N35
|
CN(C)C(=O)C1(C(=O)N[C@H]2C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc34)C2)CC1
|
CNC)C=O)CC=O)N[C@H]C[C@@H]O)[C@H]NC=O)cnccc[nH]ccc95)))))))))))C5)))))))CC3
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2]
|
c1%10nccc2[nH]ccc12.[C@@H]18C[C@@H]9[C@H](O)C1.C1%11%12CC1.CN5C.C5%11=O.C6%12=O.C7%10=O.N68.N79
|
CSCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc3cc(C)oc3c2)C1
|
CSCCC=O)N[C@H]C[C@H]C)NC=O)ccccccC)oc5c9))))))))))C5
|
[C][S][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][C]
|
c18ccc2cc(C)oc2c1.[C@H]17C[C@H](C)N5C1.C6CC4=O.C58=O.CS6.N47
|
CC1(C)[C@@H](C(=O)NC[C@H](NC(=O)c2ccc(F)s2)C2CCCC2)C1(F)F
|
CCC)[C@@H]C=O)NC[C@H]NC=O)ccccF)s5)))))))CCCCC5)))))))))C3F)F
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][S][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][#Branch1][Branch1][C][F][F]
|
CC1(C)[C@@H]8C1(F)F.c17ccc(F)s1.C19CCCC1.C5[C@H]69.C38=O.C47=O.N35.N46
|
CC[C@H]1CN(C(=O)c2cncc(N(C)C)c2)CCN1C(=O)c1coc(SC)c1
|
CC[C@H]CNC=O)ccnccNC)C))c6)))))))CCN6C=O)ccocSC))c5
|
[C][C][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][N][Ring1][P][C][=Branch1][C][=O][C][=C][O][C][Branch1][Ring1][S][C][=C][Ring1][#Branch1]
|
[C@H]18CN3CCN14.c16cncc5c1.c17coc9c1.C36=O.N5(C)C.C47=O.CC8.S9C
|
O=C(NCC1(C2CCC2)CCN(C(=O)C=CBr)CC1)c1ccc2n[nH]cc2n1
|
O=CNCCCCCC4))))CCNC=O)C=CBr))))CC6))))))))ccccn[nH]cc5n9
|
[O][=C][Branch2][Ring1][N][N][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][=C][Br][C][C][Ring1][#C][C][C][=C][C][=N][NH1][C][=C][Ring1][Branch1][N][=Ring1][=Branch2]
|
C17(C2CCC2)CCN4CC1.c16ccc2n[nH]cc2n1.C4(=O)C=CBr.O=C36.N35.C57
|
CC(C)N1C[C@H](NC(=O)CCCCCNC(=O)CN2CCCC2)[C@@H](C)C1
|
CCC)NC[C@H]NC=O)CCCCCNC=O)CNCCCC5)))))))))))))))[C@@H]C)C5
|
[C][C][Branch1][C][C][N][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C@@H1][Branch1][C][C][C][Ring2][Ring1][#Branch1]
|
C3(=O)CCCCC6.N15C[C@H]8[C@@H](C)C1.N17CCCC1.C4(=O)C7.CC5C.N38.N46
|
CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(N2CCC[C@@H](CC)CC2)CC1
|
CCOC=O)C[C@H]ccccF)cc6))))))CCCNNCCC[C@@H]CC))CC7)))))))CC6
|
[C][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=C][N][C][C][C][C@@H1][Branch1][Ring1][C][C][C][C][Ring1][=Branch2][C][C][Ring1][#C]
|
C15CCN(N2CCC[C@@H]6CC2)CC1.c17ccc(F)cc1.C3(=O)C[C@@H]57.CC4.O34.C6C
|
CCOCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc1ccncc1
|
CCOCC[C@H]NC=O)OCC)C)C)))))C=O)NCCCOcccncc6
|
[C][C][O][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
C7C[C@H]%11C5=O.c1%10ccncc1.C8(C)(C)C.C3CC9.C24=O.CC6.O67.N4%11.O28.N53.O9%10
|
O=C(CO)N=c1ccn(CC(=O)NC[C@H]2CC[C@H](F)C2)c(O)n1
|
O=CCO))N=cccnCC=O)NC[C@H]CC[C@H]F)C5)))))))))cO)n6
|
[O][=C][Branch1][Ring1][C][O][N][=C][C][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch1][C][F][C][Ring1][=Branch1][C][Branch1][C][O][=N][Ring2][Ring1][C]
|
O=C(CO)N=c1ccn5c(O)n1.[C@H]16CC[C@H](F)C1.C5C3=O.N34.C46
|
COc1ncc(Cl)c(=NCCCC[C@H](C)NC(=O)c2ncoc2[C@@H]2CCCO2)[nH]1
|
COcnccCl)c=NCCCC[C@H]C)NC=O)cncoc5[C@@H]CCCO5))))))))))))))))))[nH]6
|
[C][O][C][=N][C][=C][Branch1][C][Cl][C][=Branch2][Ring1][=N][=N][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C@@H1][C][C][C][O][Ring1][Branch1][NH1][Ring2][Ring1][O]
|
c14ncc(Cl)c(=NCCCC[C@@H]5C)[nH]1.c16ncoc17.[C@@H]17CCCO1.C36=O.CO4.N35
|
C=C[C@@H](C)CC(=O)NCCCCCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1
|
C=C[C@@H]C)CC=O)NCCCCCNC=O)cccccNC=O)[C@@H]C[C@H]3C))))))c6
|
[C][=C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][Ring1][=N]
|
C=C[C@@H](C)CC3=O.c1%10cccc8c1.C6CCCC7.[C@@H]19C[C@H]1C.C4%10=O.C59=O.N36.N47.N58
|
Cc1ccc(CCC(=O)N(C)[C@@H](C)CN(C)C(=O)c2ccc(F)cc2)c(C)c1
|
CccccCCC=O)NC)[C@@H]C)CNC)C=O)ccccF)cc6))))))))))))))cC)c6
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][O]
|
Cc1ccc8c(C)c1.c17ccc(F)cc1.C8CC3=O.[C@H]5(C)C6.N35C.N46C.C47=O
|
O=[N+]([O-])c1cnn2c1CN(c1nc3c(c(C(F)(F)F)n1)CCCC3)CC2
|
O=[N+][O-])ccnnc5CNcncccCF)F)F))n6))CCCC6))))))))CC6
|
[O][=N+1][Branch1][C][O-1][C][C][=N][N][C][=Ring1][Branch1][C][N][Branch2][Ring1][O][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][C][C][Ring1][N][C][C][Ring2][Ring1][Ring2]
|
O=[N+]([O-])c1cnn2c1CN4CC2.c14nc5c2c(n1)CCCC2.C5(F)(F)F
|
CO[C@H]1C[C@@H](CNC(=O)c2cc(CN(C)C)c[nH]2)N(C(=O)[C@@H]2C[C@H]2CC(C)C)C1
|
CO[C@H]C[C@@H]CNC=O)cccCNC)C)))c[nH]5))))))))NC=O)[C@@H]C[C@H]3CCC)C)))))))C5
|
[C][O][C@H1][C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][NH1][Ring1][=Branch2][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][Branch1][C][C][C][C][Ring2][Ring1][O]
|
[C@H]16C[C@@H]%11N5C1.c19cc4c[nH]1.[C@@H]1%10C[C@H]1%12.C%12C(C)C.C39=O.N8(C)C.C5%10=O.CO6.C7%11.N37.C84
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.