SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
Cc1ccc(OCC(=O)N2CC=C[C@H]2C(=O)N2CCN(C)C[C@H]2CO)c(C)c1
|
CccccOCC=O)NCC=C[C@H]5C=O)NCCNC)C[C@H]6CO)))))))))))))))))cC)c6
|
[C][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][=Branch1][C][=O][N][C][C][=C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][O][C][Branch1][C][C][=C][Ring2][Ring1][O]
|
Cc1ccc6c(C)c1.N14CCN(C)C[C@H]18.N13CC=C[C@H]17.C5C3=O.C47=O.O56.C8O
|
Cc1cc(C(F)F)n(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)n1
|
CcccCF)F))nCC=O)NNC=O)N[C@@]C)CCcccccc6))))))))C5=O)))))))))n5
|
[C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][N][=Ring2][Ring1][N]
|
C4C(=O)NN1C(=O)N[C@]5(C)C1=O.Cc1cc6n4n1.c17ccccc1.C6(F)F.C5C7
|
C[C@H](CC(=O)NC1(CNC(=O)c2ccnn2C2CC2)CCC1)n1cccc1
|
C[C@H]CC=O)NCCNC=O)cccnn5CCC3)))))))))))CCC4)))))))ncccc5
|
[C][C@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][S][N][C][=C][C][=C][Ring1][Branch1]
|
C[C@@H]8CC3=O.c17ccnn1%10.C159CCC1.n18cccc1.C47=O.C1%10CC1.N35.C69.N46
|
COC[C@@H]1CN(C(=O)C2(CS(C)(=O)=O)COC2)CCN1C(=O)c1nnsc1C
|
COC[C@@H]CNC=O)CCSC)=O)=O)))COC4)))))CCN6C=O)cnnsc5C
|
[C][O][C][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][Ring1][=Branch2][C][C][N][Ring1][P][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][C]
|
[C@@H]18CN3CCN14.c16nnsc1C.C179COC1.C9S(C)(=O)=O.C37=O.C46=O.CO5.C58
|
CC(C)C[C@H]1CCCCN1C(=O)CCN(CCCO)C(=O)C12CC(CO)(C1)C2
|
CCC)C[C@H]CCCCN6C=O)CCNCCCO))))C=O)CCCCO))C4)C4
|
[C][C][Branch1][C][C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][Branch1][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][O][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][#Branch1]
|
[C@H]18CCCCN13.C127CC9(C1)C2.C3(=O)CC5.CC(C)C8.C6CCO.N456.C47=O.C9O
|
C[C@H](CO)C(=O)N1CC[C@@H](Cn2cc(-c3c(F)cccc3Cl)nn2)C(F)(F)C1
|
C[C@H]CO))C=O)NCC[C@@H]Cncc-ccF)cccc6Cl)))))))nn5))))))CF)F)C6
|
[C][C@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch1][C][N][C][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][=N][Ring1][=N][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][=Branch1]
|
N14CC[C@@H]6C(F)(F)C1.c17c(F)cccc1Cl.C[C@H](CO)C4=O.n15cc7nn1.C56
|
CN(C)CCOCC(=O)N(C)[C@@H]1CCC[C@H](NC(=O)CN2CSCC2=O)C1
|
CNC)CCOCC=O)NC)[C@@H]CCC[C@H]NC=O)CNCSCC5=O)))))))))C6
|
[C][N][Branch1][C][C][C][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][S][C][C][Ring1][Branch1][=O][C][Ring1][S]
|
[C@@H]18CCC[C@H]9C1.N1%10CSCC1=O.C6C3=O.C4(=O)C%10.CN7C.C7C5.N38C.O56.N49
|
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)C[C@H]1O)c1ccco1
|
C[C@@H]C=O)NC[C@H]C[C@H]NC=O)ccCl)n[nH]c5CCC3))))))))))C[C@H]5O)))))))))cccco5
|
[C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][Cl][=N][NH1][C][=Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C@H1][Ring1][P][O][C][=C][C][=C][O][Ring1][Branch1]
|
[C@H]19C[C@H]6C[C@H]1O.c17c(Cl)n[nH]c1%10.C[C@H]8C3=O.c18ccco1.C47=O.C1%10CC1.N35.C59.N46
|
CC(C)C[C@H](O)C(=O)N(C)C(C)(C)CC(=O)N(C)c1ccccc1O
|
CCC)C[C@H]O)C=O)NC)CC)C)CC=O)NC)cccccc6O
|
[C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CC(C)C[C@H](O)C2=O.C4(C)(C)CC3=O.c15ccccc1O.N24C.N35C
|
C=CCC1(NC(=O)c2ccccc2SC)CCN(C(=O)[C@H](CC)C(=O)OC)CC1
|
C=CCCNC=O)cccccc6SC))))))))))CCNC=O)[C@H]CC))C=O)OC)))))CC6
|
[C][=C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][C][Ring2][Ring1][#Branch2]
|
C168CCN5CC1.C5(=O)[C@H](CC)C3=O.c17ccccc19.C=CC8.C47=O.N46.S9C.O3C
|
CC[S@+]([O-])CC(=O)NC(C)(C)C(=O)NCCN(C)CCO
|
CC[S@+][O-])CC=O)NCC)C)C=O)NCCNC)CCO
|
[C][C][S@+1][Branch1][C][O-1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][O]
|
CC[S@+]([O-])CC1=O.C3(C)(C)C2=O.C4C5.N56C.C6CO.N13.N24
|
CN(C)[C@@H]1CN(Cc2cc(C(=O)O)nn2C)CC12CC2
|
CNC)[C@@H]CNCcccC=O)O))nn5C)))))))CC5CC3
|
[C][N][Branch1][C][C][C@@H1][C][N][Branch1][P][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][N][Ring1][Branch2][C][C][C][Ring1][#C][C][C][Ring1][Ring1]
|
[C@@H]14CN3CC12CC2.c16cc5nn1C.CN4C.C5(=O)O.C36
|
CCc1nocc1C(=O)NCCCN(Cc1cccnc1)C(=O)[C@H]1COCCO1
|
CCcnocc5C=O)NCCCNCccccnc6)))))))C=O)[C@H]COCCO6
|
[C][C][C][=N][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][O][C][C][O][Ring1][=Branch1]
|
c19nocc18.c1%10cccnc1.[C@H]17COCCO1.C4CC5.C28=O.N356.C37=O.CC9.N24.C6%10
|
CC(=O)OCC(=O)NC[C@@H]1CCN1C(=O)COCc1scnc1C
|
CC=O)OCC=O)NC[C@@H]CCN4C=O)COCcscnc5C
|
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][C][S][C][=N][C][=Ring1][Branch1][C]
|
c1%10scnc1C.[C@@H]19CCN14.C5C3=O.C4(=O)C6.CC2=O.O25.N38.C89.O67.C7%10
|
CN(CCO)CCc1cn([C@H]2CCC[C@H]2NC(=O)c2nc(Br)sc2Cl)nn1
|
CNCCO)))CCccn[C@H]CCC[C@H]5NC=O)cncBr)sc5Cl)))))))))))))nn5
|
[C][N][Branch1][Ring2][C][C][O][C][C][C][=C][N][Branch2][Ring1][Branch2][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][Br][S][C][=Ring1][=Branch1][Cl][N][=N][Ring2][Ring1][Ring2]
|
c17nc(Br)sc1Cl.c18cn9nn1.[C@H]19CCC[C@H]16.CN45.C4CO.C5C8.C37=O.N36
|
C[C@@H]1C[C@@H](NCc2cccc(Br)n2)CN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1
|
C[C@@H]C[C@@H]NCcccccBr)n6))))))))CNC=O)cccccNSC)=O)=O)))c6)))))))C6
|
[C][C@@H1][C][C@@H1][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][Ring2][Ring1][N]
|
C[C@@H]1C[C@@H]7CN3C1.c19cccc(Br)n1.c18cccc6c1.S5(C)(=O)=O.C38=O.N47.C49.N56
|
Cc1nc(O)cc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3CNC(=O)[C@H]2C[C@H](n3cnnc3)C2)n1
|
CcncO)ccC=O)NC[C@@H]C[C@H]5[C@@H]4CNC=O)[C@H]C[C@H]ncnnc5)))))C4))))))))))))))n6
|
[C][C][=N][C][Branch1][C][O][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][=Branch2][=N][Ring2][Ring1][N]
|
Cc1nc7cc(O)n1.N14C[C@@H]2C[C@H]1[C@@H]29.[C@H]18C[C@H]%10C1.n1%10cnnc1.C47=O.C58=O.C69.N56
|
CCS(=O)(=O)C=CC(=O)NC1([C@@H]2CCN(C(=O)Cc3ccnc(C)c3)C2)CC1
|
CCS=O)=O)C=CC=O)NC[C@@H]CCNC=O)CcccncC)c6))))))))C5)))))CC3
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch2][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][#C][C][C][Ring2][Ring1][C]
|
CCS(=O)(=O)C=CC4=O.C16([C@@H]2CCN5C2)CC1.c17ccnc(C)c1.C5(=O)C7.N46
|
O=C(CC1CC=CC1)N[C@@H](C(=O)O)c1ccccc1OC(F)(F)F
|
O=CCCCC=CC5))))))N[C@@H]C=O)O))cccccc6OCF)F)F
|
[O][=C][Branch1][=Branch2][C][C][C][C][=C][C][Ring1][Branch1][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F]
|
c16ccccc13.C15CC=CC1.[C@@H]46C(=O)O.O3C(F)(F)F.O=C2C5.N24
|
Cc1nc(C(=O)N2CCC[C@H](N(CCO)C(=O)c3ccc(Cl)c(Cl)c3O)C2)co1
|
CcncC=O)NCCC[C@H]NCCO)))C=O)ccccCl)cCl)c6O)))))))))C6)))))))co5
|
[C][C][=N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][#Branch2][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring2][Ring1][Branch1][=C][O][Ring2][Ring1][N]
|
c19ccc(Cl)c(Cl)c1O.N14CCC[C@H]7C1.Cc1nc8co1.C48=O.N567.C6CO.C59=O
|
O=C(Nc1ccc(OC(=O)C2CN([C@@H]3CCOC3)C2)cc1)c1ccc(Cl)cc1
|
O=CNccccOC=O)CCN[C@@H]CCOC5)))))C4))))))cc6)))))))ccccCl)cc6
|
[O][=C][Branch2][Ring2][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][N][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
c17ccc6cc1.c1%10ccc(Cl)cc1.C19CN8C1.[C@@H]18CCOC1.O=C5%10.C49=O.N57.O46
|
C[C@@H]1CC[C@H](C(=O)NC[C@H]2N(C(=O)[C@H]3CCC(=O)NC3)CCCC2(C)C)C1
|
C[C@@H]CC[C@H]C=O)NC[C@H]NC=O)[C@H]CCC=O)NC6)))))))CCCC6C)C))))))))))C5
|
[C][C@@H1][C][C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][N][Branch1][S][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][C][C][C][Ring1][#C][Branch1][C][C][C][C][Ring2][Ring1][#Branch2]
|
[C@H]19N5CCCC1(C)C.[C@H]18CCC(=O)NC1.C[C@@H]1CC[C@H]7C1.C47=O.C58=O.N46.C69
|
C[C@@H]1CC=C(C(=O)N2CC[C@@H](CNC(=O)CCCc3ccccn3)C2(C)C)CC1
|
C[C@@H]CC=CC=O)NCC[C@@H]CNC=O)CCCcccccn6))))))))))))C5C)C)))))))CC6
|
[C][C@@H1][C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][C][Branch1][C][C][C][C][C][Ring2][Ring1][N]
|
C[C@@H]1CC=C(C4=O)CC1.N14CC[C@@H]8C1(C)C.C5(=O)CCC7.c17ccccn1.C68.N56
|
CP(C)(=O)c1ccnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC3(F)F)C[C@H]2CO)c1
|
CPC)=O)cccncC=O)NC[C@@H]NC=O)[C@H]CC3F)F))))))C[C@H]5CO))))))))c6
|
[C][P][Branch1][C][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][Branch1][C][F][F][C][C@H1][Ring1][=N][C][O][=C][Ring2][Ring1][#Branch1]
|
CP(C)(=O)c1ccnc7c1.N14C[C@@H]6C[C@H]19.[C@H]18CC1(F)F.C47=O.C58=O.N56.C9O
|
Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)c3cccc(C#CCO)c3)[C@@H]3C[C@@H]32)c1Cl
|
CcnnC)cC=O)N[C@@H]CNC=O)cccccC#CCO))))c6)))))))[C@@H]C[C@@H]36))))))))c5Cl
|
[C][C][=N][N][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch1][C][#C][C][O][=C][Ring1][#Branch2][C@@H1][C][C@@H1][Ring1][Ring1][Ring2][Ring1][C][=C][Ring2][Ring1][O][Cl]
|
c18cccc(C#CCO)c1.Cc1nn(C)c7c1Cl.[C@@H]16CN5[C@@H]2C[C@H]12.C47=O.C58=O.N46
|
C[C@@H](C(=O)N1CCN(C(=O)C2CN(C)C2)C[C@H]1c1ccccc1)C(C)(C)C
|
C[C@@H]C=O)NCCNC=O)CCNC)C4)))))C[C@H]6cccccc6)))))))))))))CC)C)C
|
[C][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][Ring1][Branch1][C][C@H1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
C[C@@H](C3=O)C(C)(C)C.N13CCN4C[C@H]16.c16ccccc1.C15CN(C)C1.C45=O
|
COc1nccc(N2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)c2c(OC)ccnc2F)n1
|
COcncccNC[C@H]CC[C@@H]C7)[C@@H]5NC=O)ccOC))ccnc6F))))))))))))))))n6
|
[C][O][C][=N][C][=C][C][Branch2][Ring1][P][N][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][F][=N][Ring2][Ring1][#Branch2]
|
N17C[C@H]2CC[C@@H](C1)[C@@H]28.c19c6ccnc1F.c15nccc7n1.C49=O.CO5.N48.O6C
|
C[C@]1(C(=O)NC2CC(CCN=c3[nH]nc(C#N)s3)C2)C[C@H]2CC[C@H]1C2
|
C[C@]C=O)NCCCCCN=c[nH]ncC#N))s5))))))))C4))))))C[C@H]CC[C@H]6C5
|
[C][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][C][N][=C][NH1][N][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1][C][Ring1][=C][C][C@H1][C][C][C@H1][Ring2][Ring1][#Branch1][C][Ring1][Branch1]
|
C7CN=c1[nH]nc(C#N)s1.C[C@]16C[C@H]2CC[C@H]1C2.C15CC7C1.C46=O.N45
|
O=C(N[C@@H]1CCC[C@H]1C(=O)N1CCc2c(Br)cccc2C1)C1CC1
|
O=CN[C@@H]CCC[C@H]5C=O)NCCccBr)cccc6C%10)))))))))))))))))CCC3
|
[O][=C][Branch2][Ring1][=C][N][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][C][C][C][Ring1][Ring1]
|
N14CCc2c(Br)cccc2C1.[C@@H]15CCC[C@H]17.O=C36.C47=O.C16CC1.N35
|
C[C@@H](CN(C)C(=O)CC1(C)CCCCC1)C(=O)N(C)[C@@H](C)c1cccs1
|
C[C@@H]CNC)C=O)CCC)CCCCC6))))))))))C=O)NC)[C@@H]C)ccccs5
|
[C][C@@H1][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1]
|
C17(C)CCCCC1.C[C@@H](C4)C3=O.c16cccs1.C2(=O)C7.N24C.N35C.[C@@H]56C
|
COCCN(CCNC(=O)c1cnc2c(c1)c(C)nn2C)Cc1cc(C)sc1C
|
COCCNCCNC=O)ccnccc6)cC)nn5C)))))))))))))CcccC)sc5C
|
[C][O][C][C][N][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C]
|
c19cnc2c(c1)c(C)nn2C.c1%10cc(C)sc1C.C4C5.N568.C6C7.C39=O.CO4.N37.C8%10
|
CC[C@@H]1[C@@H](NC(=O)c2ncnc3sccc23)CCN1C(=O)c1cc(C)nn1C
|
CC[C@@H][C@@H]NC=O)cncncsccc95)))))))))))CCN5C=O)cccC)nn5C
|
[C][C][C@@H1][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][N][Ring1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C]
|
c17ncnc2sccc12.[C@@H]19[C@@H]6CCN15.c18cc(C)nn1C.C47=O.C58=O.CC9.N46
|
CN1CCC[C@H]1CCC(=O)NC[C@H]1CN(C(=O)c2c(F)ccc(N)c2F)C[C@H]1O
|
CNCCC[C@H]5CCC=O)NC[C@H]CNC=O)ccF)cccN)c6F))))))))C[C@H]5O
|
[C][N][C][C][C][C@H1][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch1][C][N][=C][Ring1][Branch2][F][C][C@H1][Ring1][S][O]
|
c16c(F)ccc(N)c1F.[C@H]18CN4C[C@H]1O.CN1CCC[C@H]17.C7CC3=O.C46=O.N35.C58
|
NCC1(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC2(CC(F)(F)C2)C1
|
NCCC=O)N[C@H]CCF)F)F)))ccccF)cc6)))))))))CCCCF)F)C4)))C4
|
[N][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
C156CC2(C1)CC(F)(F)C2.[C@H]47CC(F)(F)F.c17ccc(F)cc1.C35=O.NC6.N34
|
COC[C@@]1(C(=O)Nc2cnn3c2CCCC3)CC=CCC1
|
COC[C@@]C=O)Nccnnc5CCCC6)))))))))))CC=CCC6
|
[C][O][C][C@@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=N][N][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][=C][C][C][Ring2][Ring1][C]
|
c16cnn2c1CCCC2.[C@@]178CC=CCC1.C47=O.CO5.C58.N46
|
Cc1occc1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[C@](O)(CCC(C)(C)C)C1
|
Ccoccc5C=O)N[C@H]CO))CNC=O)[C@H]C[C@]O)CCCC)C)C))))C4
|
[C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][C@][Branch1][C][O][Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O]
|
Cc1occc17.[C@H]16C[C@@]8(O)C1.C8CC(C)(C)C.[C@H]4(C5)CO.C27=O.C36=O.N24.N35
|
Cn1cnc(C(=O)N2CCC[C@](C)(C(=O)N3CC4CC3C4)C2)cc1=O
|
CncncC=O)NCCC[C@]C)C=O)NCCCC5C4)))))))C6)))))))cc6=O
|
[C][N][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][Ring2][C][Ring1][#C][=C][C][Ring2][Ring1][#Branch1][=O]
|
Cn1cnc7cc1=O.N15CCC[C@@]8(C)C1.N16CC2CC1C2.C57=O.C68=O
|
CC(C)NC1(C(=O)NCCC2CN(C(=O)c3cnc(C(F)(F)F)c(F)c3)C2)CC1
|
CCC)NCC=O)NCCCCNC=O)ccncCF)F)F))cF)c6)))))))C4))))))))CC3
|
[C][C][Branch1][C][C][N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][C][Ring1][P][C][C][Ring2][Ring1][=Branch2]
|
c1%10cnc%11c(F)c1.C1%12CN5C1.C179CC1.C%11(F)(F)F.CC6C.C49=O.C8C%12.C5%10=O.N67.N48
|
CC[C@H]1CN(C(=O)C2(CNC(=O)c3scnc3C)CC3(CC3)C2)C[C@H](C)O1
|
CC[C@H]CNC=O)CCNC=O)cscnc5C)))))))))CCCC3))C4)))))C[C@H]C)O6
|
[C][C][C@H1][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][S][C][C@H1][Branch1][C][C][O][Ring2][Ring1][=Branch2]
|
[C@H]19CN4C[C@H](C)O1.C18%10CC2(CC2)C1.c17scnc1C.C48=O.C57=O.CC9.C6%10.N56
|
C[C@@H](CN(C)C(=O)c1ccncc1F)N(C)C(=O)[C@H]1CCCCN1C
|
C[C@@H]CNC)C=O)cccncc6F))))))))))NC)C=O)[C@H]CCCCN6C
|
[C][C@@H1][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C]
|
c17ccncc1F.[C@H]16CCCCN1C.C[C@H]4C5.N25C.C27=O.N34C.C36=O
|
CS(=O)(=O)CCCC(=O)NCC1CCN(C(=O)C2CN([C@H]3CCOC3)C2)CC1
|
CS=O)=O)CCCC=O)NCCCCNC=O)CCN[C@H]CCOC5)))))C4)))))CC6
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][N][Branch1][Branch2][C@H1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2][C][C][Ring1][P]
|
CS(=O)(=O)CCCC4=O.C19CCN5CC1.C18CN7C1.[C@H]17CCOC1.C58=O.N46.C69
|
O=C(CCN1CCNC(=O)C1)NCCN1CCN(C(=O)c2ccnc(O)c2)CC1
|
O=CCCNCCNC=O)C6))))))))NCCNCCNC=O)cccncO)c6)))))))CC6
|
[O][=C][Branch1][=C][C][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][N][C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][#C]
|
N15CCNC(=O)C1.N17CCN4CC1.c18ccnc(O)c1.O=C3CC5.C6C7.C48=O.N36
|
COc1ncccc1CC(=O)N1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2O)CC1(C)C
|
COcncccc6CC=O)NC[C@H]NC=O)C[C@@H]CCC[C@H]5O)))))))))CC5C)C
|
[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][C][C][Ring1][#C][Branch1][C][C][C]
|
N13C[C@H]6CC1(C)C.c15ncccc18.[C@@H]17CCC[C@H]1O.C8C3=O.C4(=O)C7.CO5.N46
|
N#C[C@]1(C(=O)NC2CC(CCNC(=O)CCSc3cccc(Cl)c3)C2)CCOC1
|
N#C[C@]C=O)NCCCCCNC=O)CCScccccCl)c6)))))))))))))C4))))))CCOC5
|
[N][#C][C@][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][C][O][C][Ring2][Ring1][O]
|
N#C[C@]19CCOC1.c1%11cccc(Cl)c1.C18CC%10C1.C5(=O)CC7.C49=O.C%10C6.N48.N56.S7%11
|
CCC=CC(=O)N1CC[C@@H](CN=c2nc(COC)[nH]s2)[C@@H](C)C1
|
CCC=CC=O)NCC[C@@H]CN=cncCOC)))[nH]s5)))))))[C@@H]C)C6
|
[C][C][C][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#C][C][N][=C][N][=C][Branch1][Ring2][C][O][C][NH1][S][Ring1][Branch2][C@@H1][Branch1][C][C][C][Ring1][P]
|
N13CC[C@@H]7[C@@H](C)C1.C7N=c1nc6[nH]s1.C=5C3=O.CCC=5.C46.O4C
|
CC1(C)[C@@H]2C[C@@H](C(=O)NCC3CN(C(=O)c4ccc(F)c(C(F)F)n4)C3)C[C@@H]21
|
CCC)[C@@H]C[C@@H]C=O)NCCCNC=O)ccccF)cCF)F))n6)))))))C4)))))))C[C@@H]56
|
[C][C][Branch1][C][C][C@@H1][C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring1][#Branch2][C][Ring1][S][C][C@@H1][Ring2][Ring1][=Branch2][Ring2][Ring1][O]
|
CC1(C)[C@@H]2C[C@@H]9C[C@@H]21.c18ccc(F)c%10n1.C1%11CN6C1.C59=O.C68=O.C%10(F)F.N57.C7%11
|
CC1(F)CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CC4OCCCO4)[C@H]3C2)C1
|
CCF)CCC=O)NC[C@@H]C[C@@H]NC=O)CCOCCCO6)))))))))[C@H]4C7))))))))C4
|
[C][C][Branch1][C][F][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][O][C][C][C][O][Ring1][=Branch1][C@H1][Ring1][=C][C][Ring1][P][C][Ring2][Ring1][Branch2]
|
N15C[C@@H]2C[C@@H]7[C@H]2C1.CC1(F)CC8C1.C19OCCCO1.C6(=O)C9.C58=O.N67
|
CO[C@H](CSC)C(=O)NC/C=C/CC(=O)NCCc1nnc(O)o1
|
CO[C@H]CSC)))C=O)NC/C=C/CC=O)NCCcnncO)o5
|
[C][O][C@H1][Branch1][Ring2][C][S][C][C][=Branch1][C][=O][N][C][/C][=C][/C][C][=Branch1][C][=O][N][C][C][C][=N][N][=C][Branch1][C][O][O][Ring1][=Branch1]
|
[C@@H]4(C7)C2=O.c19nnc(O)o1.C=8CC3=O.C5C=8.C6C9.CO4.S7C.N25.N36
|
O=C(C(F)=CC1CC1)N1CC2(CO[C@@H](CNC(=O)C3(Br)CC3)C2)C1
|
O=CCF)=CCCC3)))))NCCCO[C@@H]CNC=O)CBr)CC3))))))C5))))C4
|
[O][=C][Branch1][O][C][Branch1][C][F][=C][C][C][C][Ring1][Ring1][N][C][C][Branch2][Ring1][#Branch1][C][O][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][Br][C][C][Ring1][Ring2][C][Ring1][=N][C][Ring1][S]
|
N14CC2(CO[C@@H]9C2)C1.O=C4C=8F.C=8C1CC1.C17(Br)CC1.C57=O.C69.N56
|
CCn1cc(C(=O)N[C@H](C)CNC(=O)c2ccc(C#N)c(O)c2)c(C(C)(C)C)n1
|
CCnccC=O)N[C@H]C)CNC=O)ccccC#N))cO)c6))))))))))))cCC)C)C))n5
|
[C][C][N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][O][=C][Ring1][=Branch2][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][O]
|
c18ccc(C#N)c(O)c1.n19cc7c%10n1.[C@@H]5(C)C6.C%10(C)(C)C.C37=O.C48=O.CC9.N35.N46
|
COCCC1(C(=O)N2CCC[C@@H]2C(=O)NCC[S@](C)(=N)=O)CCC1
|
COCCCC=O)NCCC[C@@H]5C=O)NCC[S@]C)=N)=O))))))))))))CCC4
|
[C][O][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][S@][Branch1][C][C][=Branch1][C][=N][=O][C][C][C][Ring2][Ring1][Ring2]
|
N13CCC[C@@H]17.C6C[S@](C)(=N)=O.C189CCC1.C5C9.C38=O.C47=O.CO5.N46
|
COc1cc(Br)c(CC(=O)N=[S@@](C)(=O)CCO)cc1F
|
COcccBr)cCC=O)N=[S@@]C)=O)CCO)))))))cc6F
|
[C][O][C][=C][C][Branch1][C][Br][=C][Branch1][P][C][C][=Branch1][C][=O][N][=S@@][Branch1][C][C][=Branch1][C][=O][C][C][O][C][=C][Ring1][P][F]
|
C3C(=O)N=[S@@](C)(=O)CCO.c12cc(Br)c3cc1F.CO2
|
CCc1ccc(OCCN(C)C(=O)NC2CCN(Cc3[nH]cnc3C)CC2)cc1
|
CCccccOCCNC)C=O)NCCCNCc[nH]cnc5C)))))))CC6))))))))))))cc6
|
[C][C][C][=C][C][=C][Branch2][Ring1][S][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][NH1][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][O]
|
c1%12ccc7cc1.C1%10CCN9CC1.c1%11[nH]cnc1C.C6C8.N48C.C45=O.CC%12.O67.N5%10.C9%11
|
N=c1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)NCCCN3CC=CC3)CC2)c[nH]1
|
N=ccccC=O)NC[C@H]CC[C@H]C=O)NCCCNCC=CC5))))))))))CC6)))))))))c[nH]6
|
[N][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][Ring1][Branch1][C][C][Ring1][P][=C][NH1][Ring2][Ring1][O]
|
N=c1ccc%10c[nH]1.[C@H]1%11CC[C@H]9CC1.N18CC=CC1.C7CC8.C4%10=O.C59=O.N46.C6%11.N57
|
N=c1[nH]cc(C(=O)NCC[C@H]2CN(C(=O)[C@@H](O)C3CC3)CCO2)s1
|
N=c[nH]ccC=O)NCC[C@H]CNC=O)[C@@H]O)CCC3)))))CCO6))))))))))s5
|
[N][=C][NH1][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][Ring1][Ring1][C][C][O][Ring1][=N][S][Ring2][Ring1][#Branch1]
|
[C@H]18CN5CCO1.N=c1[nH]cc7s1.C5(=O)[C@H]9O.C47=O.C6C8.C19CC1.N46
|
C=CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1)C(C)(C)C
|
C=CC[C@H]C=O)N[C@H]C[C@H]NC=O)[C@@H]C[C@H]3ccccF)cc6)))))))))))C4))))))CC)C)C
|
[C][=C][C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][C][Branch1][C][C][Branch1][C][C][C]
|
C=CC[C@H](C3=O)C(C)(C)C.c18ccc(F)cc1.[C@H]15C[C@H]6C1.[C@@H]17C[C@H]18.C47=O.N35.N46
|
O=C1CC[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)c4cccc(OCCF)c4)C3)C2)O1
|
O=CCC[C@@H]C=O)NCC[C@]CCNC=O)cccccOCCF))))c6)))))))C5))))C5))))))O5
|
[O][=C][C][C][C@@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch1][O][C][C][F][=C][Ring1][#Branch2][C][Ring1][P][C][Ring2][Ring1][Branch1][O][Ring2][Ring1][N]
|
N15CC[C@]2(CCN6C2)C1.c1%10cccc8c1.O=C1CC[C@@H]9O1.C59=O.C6%10=O.C7CF.O78
|
O=C(CC1(NC(=O)Cc2ccns2)CC1)Nc1cnn(CCO)c1
|
O=CCCNC=O)Ccccns5))))))))CC3))))NccnnCCO)))c5
|
[O][=C][Branch2][Ring1][=Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=N][S][Ring1][Branch1][C][C][Ring1][N][N][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2]
|
c16cnn7c1.c18ccns1.O=C3C9.C159CC1.C4(=O)C8.C7CO.N45.N36
|
Cc1ccoc1C(=O)N[C@@]12CCN(C(=O)Cc3c(C)n[nH]c3C)CC[C@H]1C2
|
Ccccoc5C=O)N[C@@]CCNC=O)CccC)n[nH]c5C))))))))CC[C@H]7C8
|
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][C][C@H1][Ring1][P][C][Ring2][Ring1][C]
|
[C@@]126CCN5CC[C@H]1C2.c18c(C)n[nH]c1C.Cc1ccoc17.C5(=O)C8.C47=O.N46
|
Cn1ccnc1CCC(=O)N1C[C@@H](C(=O)NCc2cc(Cl)ccn2)CC(C)(C)C1
|
Cnccnc5CCC=O)NC[C@@H]C=O)NCcccCl)ccn6)))))))))CCC)C)C6
|
[C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13C[C@@H]6CC(C)(C)C1.c18cc(Cl)ccn1.Cn1ccnc17.C7CC3=O.C46=O.N45.C58
|
Cc1nc(C)n(CC(=O)NCC[C@H]2C[C@@H](NC(=O)c3cc(Cl)c(F)cc3Cl)C2)n1
|
CcncC)nCC=O)NCC[C@H]C[C@@H]NC=O)cccCl)cF)cc6Cl)))))))))C4)))))))))n5
|
[C][C][N][=C][Branch1][C][C][N][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][Ring1][S][N][=Ring2][Ring1][N]
|
c18cc(Cl)c(F)cc1Cl.Cc1nc(C)n9n1.[C@H]1%10C[C@@H]7C1.C9C4=O.C6C%10.C58=O.N46.N57
|
C=CC[C@]1(NC(=O)[C@@H](C)[C@@H](C)COC)CCCN(C(=O)c2nc(C)oc2C)C1
|
C=CC[C@]NC=O)[C@@H]C)[C@@H]C)COC)))))))CCCNC=O)cncC)oc5C)))))))C6
|
[C][=C][C][C@][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
[C@]168CCCN4C1.C3(=O)[C@@H](C)[C@@H](C)C5.c17nc(C)oc1C.C=CC8.C47=O.N36.O5C
|
C#C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cn3c(C)cccc3n2)[C@H](CC2CC2)C1
|
C#C[C@H]C[C@H]3C=O)NCCNC=O)ccncC)cccc6n9))))))))))[C@H]CCCC3))))C6
|
[C][#C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch1]
|
c16cn2c(C)cccc2n1.N14CCN5[C@H]8C1.C#C[C@H]1C[C@H]17.C47=O.C56=O.C19CC1.C89
|
COC(C)(C)c1nc(C)c(C(=O)N2CCC[C@@]3(C2)[C@H](O)C[C@@H]3O)s1
|
COCC)C)cncC)cC=O)NCCC[C@@]C6)[C@H]O)C[C@@H]4O))))))))))s5
|
[C][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch1][O][S][Ring2][Ring1][Ring1]
|
N14CCC[C@@]2(C1)[C@H](O)C[C@@H]2O.c17nc(C)c6s1.C57(C)C.C46=O.CO5
|
CCc1nn(C)cc1C(=O)NCc1ccc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)s1
|
CCcnnC)cc5C=O)NCccccC=O)NCC[C@H]C)O[C@@H]C)C6))))))))s5
|
[C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][Branch2][S][Ring1][S]
|
C16C[C@H](C)O[C@@H](C)C1.c19nn(C)cc18.c1%10ccc7s1.C38=O.C47=O.CC9.N35.C5%10.N46
|
C[C@H]1C[C@H](NC(=O)c2cnc(Cl)n2C)CN1C(=O)Cc1cnn2ccccc12
|
C[C@H]C[C@H]NC=O)ccncCl)n5C))))))))CN5C=O)Cccnnccccc96
|
[C][C@H1][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][N][Ring1][=Branch1][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1]
|
c17cnn2ccccc12.C[C@H]1C[C@H]5CN14.c16cnc(Cl)n1C.C4(=O)C7.C36=O.N35
|
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)c1cnc2c(c1)CCCO2)[C@@H]1CCC[C@H]2C[C@@H]21
|
O=CNC[C@@H]C[C@H]F)CN5C=O)ccnccc6)CCCO6)))))))))))))))))[C@@H]CCC[C@H]C[C@@H]37
|
[O][=C][Branch2][Ring1][P][N][C][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C@@H1][C][C][C][C@H1][C][C@@H1][Ring1][Ring1][Ring1][#Branch1]
|
c17cnc2c(c1)CCCO2.[C@@H]18C[C@H](F)CN14.[C@@H]16CCC[C@H]2C[C@@H]21.O=C36.C47=O.N35.C58
|
COC[C@@H]1CN(C(=O)C2=C(Cl)CCCC2)CCN1C(=O)Cc1cc(C)cc(F)c1
|
COC[C@@H]CNC=O)C=CCl)CCCC6)))))))CCN6C=O)CcccC)ccF)c6
|
[C][O][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][F][=C][Ring1][Branch2]
|
C3(=O)C1=C(Cl)CCCC1.[C@@H]16CN3CCN14.c17cc(C)cc(F)c1.C4(=O)C7.CO5.C56
|
[N-]=[N+]=N[C@@H]1CN[C@H](C(=O)NCCC2(CN)CC2)C1
|
[N-]=[N+]=N[C@@H]CN[C@H]C=O)NCCCCN))CC3)))))))C5
|
[N-1][=N+1][=N][C@@H1][C][N][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][N][C][C][Ring1][Branch1][C][Ring1][#C]
|
[N-]=[N+]=N[C@@H]1CN[C@H]5C1.C167CC1.C35=O.C4C6.N34.C7N
|
CC1=N[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCCC(F)(F)C2)CS1
|
CC=N[C@H]C=O)NC)CCCNC)C=O)[C@@H]CCCCF)F)C6)))))))))))))CS5
|
[C][C][=N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][C][S][Ring2][Ring1][Branch2]
|
[C@@H]18CCCC(F)(F)C1.CC1=N[C@H]7CS1.C5CC6.C37=O.N35C.N46C.C48=O
|
C[C@H](N=[N+]=[N-])C(=O)NCc1ccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2C)s1
|
C[C@H]N=[N+]=[N-])))C=O)NCccccC=O)NCC[C@@H]NC)C))[C@@H]5C)))))))s5
|
[C][C@H1][Branch1][Ring2][N][=N+1][=N-1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@@H1][Ring1][Branch2][C][S][Ring1][S]
|
C[C@H](N=[N+]=[N-])C3=O.N14CC[C@@H]6[C@@H]1C.c18ccc7s1.C47=O.N6(C)C.N35.C58
|
O=C(N[C@H]1CCCN(C(=O)[C@]2(CO)CCCCO2)C1)C1CCC1
|
O=CN[C@H]CCCNC=O)[C@]CO))CCCCO6)))))))C6)))))))CCCC4
|
[O][=C][Branch2][Ring1][N][N][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@][Branch1][Ring1][C][O][C][C][C][C][O][Ring1][Branch2][C][Ring1][S][C][C][C][C][Ring1][Ring2]
|
[C@H]15CCCN4C1.[C@@]168CCCCO1.C17CCC1.O=C37.C46=O.N35.C8O
|
COCC1(CC(=O)N2CCN(C(=O)C=C(C)C(F)(F)C(F)(F)F)CC2)CCCC1
|
COCCCC=O)NCCNC=O)C=CC)CF)F)CF)F)F))))))CC6))))))))CCCC5
|
[C][O][C][C][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][C][C][C][C][C][Ring2][Ring1][#Branch2]
|
C=6(C)C(F)(F)C(F)(F)F.N13CCN4CC1.C178CCCC1.C8C3=O.C4(=O)C=6.CO5.C57
|
COC(=O)[C@@H]1CC[C@H]1CC(=O)N1CC[C@](C)(CNC(=O)C2CCCC2)C1
|
COC=O)[C@@H]CC[C@H]4CC=O)NCC[C@]C)CNC=O)CCCCC5))))))))C5
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][Ring1][#C]
|
N14CC[C@@]%10(C)C1.[C@@H]17CC[C@H]19.C18CCCC1.C9C4=O.C37=O.C58=O.CO3.C6%10.N56
|
C[C@H]1CN(C(=O)C=C2CCC2)CC[C@@H]1N(C)C(=O)COc1ccc(F)c(Cl)c1
|
C[C@H]CNC=O)C=CCCC4))))))CC[C@@H]6NC)C=O)COccccF)cCl)c6
|
[C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Ring2][C][C][C@@H1][Ring1][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
C[C@H]1CN3CC[C@@H]17.c16ccc(F)c(Cl)c1.C3(=O)C=8.C1=8CCC1.C4(=O)C5.N47C.O56
|
CC[C@@H](C(=O)N(C)CC1CN(C(=O)[C@@H]2CCc3ccccc3N2)C1)N(C)C
|
CC[C@@H]C=O)NC)CCCNC=O)[C@@H]CCcccccc6N%10)))))))))))C4)))))))NC)C
|
[C][C][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][Ring1][S][N][Branch1][C][C][C]
|
[C@@H]18CCc2ccccc2N1.CC[C@H]6C4=O.C19CN5C1.N47C.C58=O.N6(C)C.C79
|
CN(C(=O)[C@H]1CCN(C(=O)c2ccc(CO)o2)CC1(C)C)C1CC1
|
CNC=O)[C@H]CCNC=O)ccccCO))o5))))))CC6C)C))))))))CCC3
|
[C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][C][Ring1][#C][Branch1][C][C][C][C][C][C][Ring1][Ring1]
|
[C@H]17CCN4CC1(C)C.c16ccc8o1.CN35.C37=O.C46=O.C15CC1.C8O
|
Cc1[nH]nc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H](C)Sc3ccccn3)C2)c1C(F)(F)F
|
Cc[nH]ncC=O)N[C@H]C[C@@H]NC=O)[C@H]C)Scccccn6))))))))))C4))))))c5CF)F)F
|
[C][C][NH1][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S][C][=Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F]
|
Cc1[nH]nc9c1%10.c1%11ccccn1.[C@H]17C[C@@H]8C1.C5(=O)[C@@H]6C.C%10(F)(F)F.C49=O.N47.N58.S6%11
|
COc1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)NC2(CC(N)=O)CCC2)nn1
|
COccccC=O)NC[C@H]C[C@H]3C=O)NCCCN)=O)))CCC4))))))))))))nn6
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][Ring1][Branch2][N][=N][Ring2][Ring1][Branch2]
|
c15ccc8nn1.C17%11CCC1.[C@H]1%10C[C@H]19.C%11C(N)=O.C38=O.C49=O.CO5.N36.C6%10.N47
|
CC1=CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)CCCc3ccc(C)s3)C2)CC1
|
CC=CC[C@H]C=O)NCC[C@]O)CNC=O)CCCccccC)s5)))))))))))C5))))))CC6
|
[C][C][=C][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][O]
|
CC1=CC[C@H]7CC1.N14CC[C@@]9(O)C1.C5(=O)CCC8.c18ccc(C)s1.C47=O.C69.N56
|
Cn1cnc(C(=O)N[C@@H]2CCC[C@@]23CCN(C(=O)CC2(C)CC2)C3)cc1=O
|
CncncC=O)N[C@@H]CCC[C@@]5CCNC=O)CCC)CC3)))))C5)))))))))))cc6=O
|
[C][N][C][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][N][=C][C][Ring2][Ring1][=Branch2][=O]
|
[C@@H]16CCC[C@@]12CCN5C2.Cn1cnc7cc1=O.C5(=O)C8.C18(C)CC1.C47=O.N46
|
CC(C)C[C@H](ONC(=O)c1ccn(C)n1)C(=O)N[C@H]1C[C@@H]1C(C)C
|
CCC)C[C@H]ONC=O)cccnC)n5))))))))C=O)N[C@H]C[C@@H]3CC)C
|
[C][C][Branch1][C][C][C][C@H1][Branch1][P][O][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][C][Branch1][C][C][C]
|
CC(C)C[C@H]3C2=O.c15ccn(C)n1.O3NC5=O.[C@H]14C[C@@H]16.C6(C)C.N24
|
COC[C@H](C)CC(=O)NC1CCC(NC(=O)c2ccc(Cl)c(Cl)c2O)CC1
|
COC[C@H]C)CC=O)NCCCCNC=O)ccccCl)cCl)c6O)))))))))CC6
|
[C][O][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][C]
|
c18ccc(Cl)c(Cl)c1O.C5[C@H](C)CC3=O.C16CCC7CC1.C48=O.CO5.N36.N47
|
COCc1cc(C(=O)N2CCO[C@@H](C(=O)NCc3cc(C)n(C)n3)CC2)no1
|
COCcccC=O)NCCO[C@@H]C=O)NCcccC)nC)n5))))))))CC7))))))))no5
|
[C][O][C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1][C][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][=Branch2]
|
N14CCO[C@@H]8CC1.c1%11cc(C)n(C)n1.c1%10cc9no1.C49=O.C58=O.CO6.C6%10.N57.C7%11
|
CC[C@@H](CC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N(C)CC1(COC)CCC1)SC
|
CC[C@@H]CC=O)NC[C@@H]C[C@@H]3[C@H]6C=O)NC)CCCOC)))CCC4)))))))))))))))SC
|
[C][C][C@@H1][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Ring1][Ring1][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][Ring2][C][O][C][C][C][C][Ring1][#Branch1][S][C]
|
CC[C@H]7CC3=O.N13C[C@@H]2C[C@@H]2[C@H]18.C19%10CCC1.C48=O.N46C.C69.C5%10.O5C.S7C
|
COc1cc(OC)c(C(=O)NC[C@H]2CCN2C(=O)c2csnc2OC)c(N)c1Cl
|
COcccOC))cC=O)NC[C@H]CCN4C=O)ccsnc5OC)))))))))))))))cN)c6Cl
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][O][C][C][Branch1][C][N][=C][Ring2][Ring1][#Branch2][Cl]
|
c16cc7c9c(N)c1Cl.c1%10csnc15.[C@H]1%11CCN14.C39=O.C4%10=O.CO6.O7C.N38.C8%11.O5C
|
CCN1CCOC[C@H]1C(=O)NC[C@@H]1[C@H]2C[C@@H]1N(C(=O)[C@]1(C)CCCNS1(=O)=O)C2
|
CCNCCOC[C@H]6C=O)NC[C@@H][C@H]C[C@@H]4NC=O)[C@]C)CCCNS6=O)=O))))))))C5
|
[C][C][N][C][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C@H1][C][C@@H1][Ring1][Ring2][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][N][S][Ring1][#Branch1][=Branch1][C][=O][=O][C][Ring1][S]
|
[C@@]18(C)CCCNS1(=O)=O.N15CCOC[C@H]17.[C@@H]19[C@H]2C[C@@H]1N4C2.C37=O.C48=O.CC5.N36.C69
|
C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C(=O)[C@H]3CCCN3C=O)C[C@@H]2C)C2CCN1CC2
|
C[C@@H][C@@H]NC=O)[C@H]CNC=O)[C@H]CCCN5C=O))))))))C[C@@H]5C))))))))CCCN6CC6
|
[C][C@@H1][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=O][C][C@@H1][Ring1][=C][C][C][C][C][N][Ring2][Ring1][Branch2][C][C][Ring1][=Branch1]
|
C[C@@H]1[C@@H]6C2CCN1CC2.[C@H]18CN5C[C@@H]1C.[C@H]17CCCN1C=O.C48=O.C57=O.N46
|
CC[C@@H]1CN(C(=O)[C@H](C)OC2COC2)CC[C@@H]1NC(=O)CCCC(F)(F)F
|
CC[C@@H]CNC=O)[C@H]C)OCCOC4)))))))CC[C@@H]6NC=O)CCCCF)F)F
|
[C][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][C][O][C][Ring1][Ring2][C][C][C@@H1][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
C4(=O)CCCC(F)(F)F.[C@@H]18CN3CC[C@@H]17.C3(=O)[C@@H]5C.C16COC1.CC8.O56.N47
|
Cc1ccoc1CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC3(CCC3)C2)C2(CCC2)C1
|
Ccccoc5CC=O)NC[C@@H]NC=O)[C@H]CCCCCC4)))C5)))))))CCCC4)))C5
|
[C][C][C][=C][O][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Ring1]
|
N14C[C@@H]6C2(CCC2)C1.[C@H]17CCC2(CCC2)C1.Cc1ccoc18.C8C4=O.C57=O.N56
|
O=C(CCOc1ccc(Cl)c(F)c1)NC[C@H]1CCCCN(C(=O)c2ccon2)C1
|
O=CCCOccccCl)cF)c6)))))))))NC[C@H]CCCCNC=O)cccon5))))))C7
|
[O][=C][Branch2][Ring1][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C@H1][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][C][Ring1][=C]
|
c16ccc(Cl)c(F)c1.[C@H]19CCCCN4C1.O=C3CC5.c18ccon1.C48=O.O56.N37.C79
|
CN(C)C(=O)C(=O)N1CC(CCO)(NC(=O)C2CCN(c3cnccn3)CC2)C1
|
CNC)C=O)C=O)NCCCCO)))NC=O)CCCNccnccn6))))))CC6))))))))C4
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][C][O][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][=Branch1]
|
C19CCN8CC1.N15CC7%10C1.c18cnccn1.C4(=O)C5=O.CN4C.C%10CO.C69=O.N67
|
Cc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(C(=O)[C@@]34CCN(C3)S(=O)(=O)C4)C[C@@H]2C1
|
CcccccCl)c6C=O)NC[C@@H]CNC=O)[C@@]CCNC5)S=O)=O)C6)))))))C[C@@H]5C8
|
[C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C@@][C][C][N][Branch1][Ring2][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch2][C][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
N15C[C@@H]2CN6C[C@@H]2C1.[C@@]127CCN(C1)S(=O)(=O)C2.Cc1cccc(Cl)c18.C58=O.C67=O
|
CC(C)c1ccc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C3CCC3)CCC2)s1
|
CCC)ccccC=O)NCCNC=O)[C@H]C[C@@H]3CCCC4)))))))))CCC4)))))))s5
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][P][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][C][Ring1][Ring2][C][C][C][Ring1][=C][S][Ring2][Ring1][#Branch1]
|
[C@H]19C[C@@H]1C1CCC1.c1%10ccc8s1.C17%11CCC1.CC%10C.C48=O.C59=O.N46.C6%11.N57
|
COc1ncc(C(=O)Nc2ccc3cnccc3c2)cc1-c1c(C)cccc1F
|
COcnccC=O)Ncccccnccc6c%10))))))))))))cc6-ccC)cccc6F
|
[C][O][C][=N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][F]
|
c16ccc2cnccc2c1.c15ncc7cc18.c18c(C)cccc1F.C47=O.CO5.N46
|
Clc1c(Br)cccc1CNc1nc(N2CCc3ccccc3C2)nc2sccc12
|
ClccBr)cccc6CNcncNCCcccccc6C%10))))))))))ncsccc95
|
[Cl][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][C][S][C][=C][C][Ring2][Ring1][Ring1][=Ring1][Branch1]
|
c15nc6nc2sccc12.N16CCc2ccccc2C1.Clc1c7cccc1Br.C47.N45
|
Cc1ccc(C(=O)N2CCC[C@@]3(NC(=O)CCCC(F)F)CCC[C@H]23)cc1O
|
CccccC=O)NCCC[C@@]NC=O)CCCCF)F)))))))CCC[C@H]95))))))))))cc6O
|
[C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][F][C][C][C][C@H1][Ring2][Ring1][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch2][O]
|
N14CCC[C@@]26CCC[C@H]12.Cc1ccc7cc1O.C5(=O)CCCC(F)F.C47=O.N56
|
Cc1cc(C(=O)NCC2CC(NC(=O)[C@@H]3CCCCO3)C2)n(C(C)(C)C)n1
|
CcccC=O)NCCCCNC=O)[C@@H]CCCCO6))))))))C4)))))))nCC)C)C))n5
|
[C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][Ring1][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][#Branch2]
|
Cc1cc9n%10n1.[C@@H]18CCCCO1.C1%11CC7C1.C%10(C)(C)C.C49=O.C58=O.N46.C6%11.N57
|
CCCCCN(C)C(=O)C[C@H]1COCCN1C(=O)CP(C)(C)=O
|
CCCCCNC)C=O)C[C@H]COCCN6C=O)CPC)C)=O
|
[C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][P][Branch1][C][C][Branch1][C][C][=O]
|
[C@H]15COCCN13.C3(=O)CP(C)(C)=O.CCCCC4.C2(=O)C5.N24C
|
COCCN(CCNC(=O)[C@@H]1CC[C@H]2[C@H]1C2(F)F)C(=O)c1ncc(OC)cc1F
|
COCCNCCNC=O)[C@@H]CC[C@H][C@H]5C3F)F)))))))))))C=O)cnccOC))cc6F
|
[C][O][C][C][N][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C@H1][Ring1][Branch1][C][Ring1][Ring1][Branch1][C][F][F][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][F]
|
[C@@H]1%11CC[C@H]2[C@H]1C2(F)F.c1%10ncc6cc1F.C5C7.N478.C8C9.C3%11=O.C4%10=O.CO5.N39.O6C
|
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