SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CN1CCC[C@H]1CCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2Cl)C1
|
CNCCC[C@H]5CCC=O)NC[C@H]CCNCccccF)cc6Cl))))))))C5
|
[C][N][C][C][C][C@H1][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][Ring1][=C]
|
c18ccc(F)cc1Cl.CN1CCC[C@H]16.[C@H]17CCN5C1.C6CC3=O.N34.C47.C58
|
Cc1cnn(C)c1CC(=O)NCCC[C@@H](C)NC(=O)c1ccc(C2CC2)nc1C
|
CccnnC)c5CC=O)NCCC[C@@H]C)NC=O)ccccCCC3)))nc6C
|
[C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][C]
|
c17ccc9nc1C.Cc1cnn(C)c18.C5CC[C@H]6C.C8C3=O.C47=O.C19CC1.N35.N46
|
CCSCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CCNC(=O)c1cccc(Cl)c1
|
CCSCC=O)NC[C@@H]C[C@H]F)CN5C=O)CCNC=O)cccccCl)c6
|
[C][C][S][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
[C@@H]1%10C[C@H](F)CN13.c19cccc(Cl)c1.C3(=O)CC6.C8C2=O.C49=O.CC7.S78.N25.C5%10.N46
|
CCC1(C(=O)N2CCN(C(=O)c3c(Cl)ccc(F)c3N)C[C@H]2C)CCOCC1
|
CCCC=O)NCCNC=O)ccCl)cccF)c6N))))))))C[C@H]6C))))))))CCOCC6
|
[C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C@H1][Ring1][P][C][C][C][O][C][C][Ring2][Ring1][#Branch2]
|
c17c(Cl)ccc(F)c1N.N14CCN5C[C@H]1C.C168CCOCC1.C46=O.C57=O.CC8
|
CCCCS(=O)(=O)CC(=O)N1CCC[C@@H]1CNC(=O)C1(CCF)CCOCC1
|
CCCCS=O)=O)CC=O)NCCC[C@@H]5CNC=O)CCCF)))CCOCC6
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][F][C][C][O][C][C][Ring1][=Branch2]
|
CCCCS(=O)(=O)CC2=O.C157CCOCC1.N12CCC[C@@H]16.C35=O.C7CF.C46.N34
|
Cc1cc([C@H](C(=O)NCc2cccc(Cl)c2)N2CCC[C@H]2CCO)c(C)nn1
|
Cccc[C@H]C=O)NCcccccCl)c6)))))))))NCCC[C@H]5CCO)))))))))cC)nn6
|
[C][C][=C][C][Branch2][Ring1][S][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][O][=C][Branch1][C][C][N][=N][Ring2][Ring1][O]
|
Cc1cc7c(C)nn1.c18cccc(Cl)c1.N14CCC[C@H]16.[C@@H]47C3=O.C6CO.N35.C58
|
CCCCCc1cc(C(=O)NC2CCC(N(C)C(=O)CSC(=N)N)CC2)n[nH]1
|
CCCCCcccC=O)NCCCCNC)C=O)CSC=N)N))))))CC6))))))))n[nH]5
|
[C][C][C][C][C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=Branch1][C][=N][N][C][C][Ring1][#C][=N][NH1][Ring2][Ring1][#Branch1]
|
C16CCC7CC1.c19cc8n[nH]1.CCCCC9.C4(=O)C5.S5C(=N)N.C38=O.N47C.N36
|
CCCC[C@](CC)(NC[C@]1(OC)CCCSC1)c1nnnn1-c1ccccc1Cl
|
CCCC[C@]CC))NC[C@]OC))CCCSC6))))))))cnnnn5-cccccc6Cl
|
[C][C][C][C][C@][Branch1][Ring1][C][C][Branch1][#C][N][C][C@][Branch1][Ring1][O][C][C][C][C][S][C][Ring1][Branch2][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CCCC[C@]35CC.[C@]126CCCSC1.c17ccccc1Cl.c15nnnn17.N34.C46.O2C
|
CC[C@@H](CCOC)N=c1[nH]c2c(c(=NCCOc3ccc(Cl)cn3)[nH]1)CSC2
|
CC[C@@H]CCOC))))N=c[nH]ccc=NCCOccccCl)cn6))))))))))[nH]6))CSC5
|
[C][C][C@@H1][Branch1][Branch1][C][C][O][C][N][=C][NH1][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][S][=N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][NH1][Ring1][P][C][S][C][Ring2][Ring1][C]
|
CC[C@@H](CC4)N=c1[nH]c2c(c(=NCC5)[nH]1)CSC2.c16ccc(Cl)cn1.O4C.O56
|
CC(C)Cc1cccc([C@H](C)C(=O)NC[C@@H]2C[C@H]2NC(=O)c2cccc(O)n2)c1
|
CCC)Cccccc[C@H]C)C=O)NC[C@@H]C[C@H]3NC=O)cccccO)n6)))))))))))))))c6
|
[C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=N][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2]
|
c19cccc%10c1.c17cccc(O)n1.[C@@H]%10(C)C3=O.CC(C)C9.[C@@H]18C[C@H]16.C47=O.N35.C58.N46
|
COc1cncc(NC(=O)C2CC(NCc3n[nH]c4ccc(Br)cc34)C2)c1
|
COccnccNC=O)CCCNCcn[nH]ccccBr)cc96)))))))))))C4))))))c6
|
[C][O][C][=C][N][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][Ring1][N][C][C][=N][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][=Branch2]
|
c1%11n[nH]c2ccc(Br)cc12.c16cncc8c1.C1%10CC9C1.C5%10=O.CO6.N58.N79.C7%11
|
COC(=O)CCC(=O)COC(=O)c1cc(C(F)F)cc(C(F)(F)F)c1
|
COC=O)CCC=O)COC=O)cccCF)F))ccCF)F)F))c6
|
[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]
|
C2(=O)CCC(=O)C4.c15cc6cc7c1.C7(F)(F)F.C35=O.C6(F)F.CO2.O34
|
CCSCC(=O)NC1CC(O)(CNC(=O)[C@H]2CCC(F)(F)CO2)C1
|
CCSCC=O)NCCCO)CNC=O)[C@H]CCCF)F)CO6)))))))))C4
|
[C][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][O][Ring1][Branch2][C][Ring1][P]
|
[C@H]19CCC(F)(F)CO1.C18CC%10(O)C1.C7C3=O.C49=O.CC6.S67.N38.C5%10.N45
|
CC[C@H](C)[C@H](NC(=O)c1ccncc1N)C(=O)N1CC[C@H](N2CC=CC2)C1
|
CC[C@H]C)[C@H]NC=O)cccncc6N)))))))))C=O)NCC[C@H]NCC=CC5)))))C5
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Branch2][N][C][C][=C][C][Ring1][Branch1][C][Ring1][#Branch2]
|
CC[C@H](C)[C@H]5C4=O.c17ccncc1N.N14CC[C@H]6C1.N16CC=CC1.C37=O.N35
|
O=C([C@H]1CCCN1C(=O)c1cc(I)ccc1Br)N1CC[C@@H](CO)[C@H](O)C1
|
O=C[C@H]CCCN5C=O)cccI)ccc6Br)))))))))))))NCC[C@@H]CO))[C@H]O)C6
|
[O][=C][Branch2][Ring1][Branch2][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][Br][N][C][C][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][Ring1][=Branch2]
|
c15cc(I)ccc1Br.N12CC[C@@H]6[C@H](O)C1.[C@H]14CCCN13.O=C24.C35=O.C6O
|
CC(=O)NCCCC1(CNC(=O)[C@@H]2CCN(C)c3ccccc32)CCCC1
|
CC=O)NCCCCCNC=O)[C@@H]CCNC)cccccc6%10)))))))))))))CCCC5
|
[C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][C][Ring2][Ring1][Ring2]
|
C5(=O)[C@@H]1CCN(C)c2ccccc21.C189CCCC1.C6CC8.CC4=O.N46.C79.N57
|
Cc1oc(-c2ccccc2)nc1C(=O)N1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1
|
Ccoc-cccccc6))))))nc5C=O)NCCCNC=O)[C@H]OCC[C@H]5C)))))))))C4
|
[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C@H1][O][C][C][C@H1][Ring1][Branch1][C][C][Ring1][=C]
|
Cc1oc9nc17.c19ccccc1.[C@H]16OCC[C@H]1C.N13CC8C1.C37=O.C46=O.C58.N45
|
CCc1cc(O)ccc1-c1cscc1CN1CCC[C@H]1c1cccnc1
|
CCcccO)ccc6-ccscc5CNCCC[C@H]5ccccnc6
|
[C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][S][C][=C][Ring1][Branch1][C][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
c13cc(O)ccc16.c16cscc14.N12CCC[C@H]15.c15cccnc1.CC3.C24
|
CC(C)C[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
|
CCC)C[C@@H]C)OC=O)[C@H]CC=O)NccccF)cc6))))))C5
|
[C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N]
|
[C@H]15CC(=O)N6C1.c16ccc(F)cc1.CC(C)C[C@H]4C.C35=O.O34
|
COc1ncc(Cl)c(C)c1C(=O)N[C@@H](C)[C@@H](CO)NC(=O)c1cc(CO)[nH]n1
|
COcnccCl)cC)c6C=O)N[C@@H]C)[C@@H]CO))NC=O)cccCO))[nH]n5
|
[C][O][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][O][NH1][N][=Ring1][#Branch1]
|
c14ncc(Cl)c(C)c18.[C@H]5(C)[C@H]6CO.c17cc9[nH]n1.C28=O.C37=O.CO4.N25.N36.C9O
|
C=CC[C@@]1(C(=O)OCC)CCN(Cc2sc(C(F)(F)F)cc2Br)C1
|
C=CC[C@@]C=O)OCC))))CCNCcscCF)F)F))cc5Br)))))))C5
|
[C][=C][C][C@@][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][N][Branch2][Ring1][Ring2][C][C][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Ring1][=Branch2][Br][C][Ring2][Ring1][Branch1]
|
[C@@]169CCN5C1.c17sc8cc1Br.C8(F)(F)F.C=CC9.C36=O.O34.C4C.C57
|
CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1cncc(Br)c1)C2)n1cncn1
|
CCC)[C@@H]C=O)N[C@@H][C@@H]CC[C@H]5NC=O)ccnccBr)c6)))))))C6)))))))))ncncn5
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][C][C][C@H1][Ring1][Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring1][#C][N][C][=N][C][=N][Ring1][Branch1]
|
[C@@H]15[C@@H]2CC[C@H]1N4C2.CC(C)[C@H]7C3=O.c16cncc(Br)c1.n17cncn1.C46=O.N35
|
COCC1(c2cn(CCC(=O)NC[C@H]3C[C@]3(C)c3cccs3)nn2)CCCC1
|
COCCccnCCC=O)NC[C@H]C[C@]3C)ccccs5)))))))))))))nn5)))))CCCC5
|
[C][O][C][C][Branch2][Ring2][Ring1][C][=C][N][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][N][=N][Ring2][Ring1][Ring2][C][C][C][C][Ring2][Ring1][=Branch2]
|
C18%10CCCC1.c1%10cn7nn1.C7CC4=O.[C@H]19C[C@@]1%11C.c1%11cccs1.CO5.C58.N46.C69
|
Cc1c(O)cccc1C(=O)N1CCN(C(=O)[C@@H]2CC3CCC2CC3)C[C@H](C)C1
|
CccO)cccc6C=O)NCCNC=O)[C@@H]CCCCC6CC6)))))))))C[C@H]C)C7
|
[C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][C@H1][Branch1][C][C][C][Ring2][Ring1][C]
|
N14CCN5C[C@H](C)C1.Cc1c7cccc1O.[C@@H]16CC2CCC1CC2.C47=O.C56=O
|
CCCC(C)=CC(=O)N(C)[C@H]1CCC[C@@H](NC(=O)c2ncoc2C)C1
|
CCCCC)=CC=O)NC)[C@H]CCC[C@@H]NC=O)cncoc5C))))))))C6
|
[C][C][C][C][Branch1][C][C][=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][O][C][=Ring1][Branch1][C][C][Ring1][#C]
|
[C@H]15CCC[C@@H]6C1.c17ncoc1C.CCCC=8C.C=8C3=O.N35C.C47=O.N46
|
CCCCSCC(=O)N[C@@H]1CN(C(=O)CN2CCCCC2)C[C@H]1SC
|
CCCCSCC=O)N[C@@H]CNC=O)CNCCCCC6))))))))C[C@H]5SC
|
[C][C][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C][C@H1][Ring1][=C][S][C]
|
[C@@H]18CN4C[C@H]19.N15CCCCC1.CCCC6.C7C3=O.C4(=O)C5.S67.N38.S9C
|
O=C(NC[C@@]12C[C@@H]1CN(C(=O)c1cnn(C3CCCC3)c1)C2)c1ncccn1
|
O=CNC[C@@]C[C@@H]3CNC=O)ccnnCCCCC5)))))c5))))))C6))))))))cncccn6
|
[O][=C][Branch2][Ring2][Branch1][N][C][C@@][C][C@@H1][Ring1][Ring1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Ring1][#Branch2][C][Ring2][Ring1][C][C][=N][C][=C][C][=N][Ring1][=Branch1]
|
[C@@]129C[C@@H]1CN5C2.c18cnn%10c1.c17ncccn1.C1%10CCCC1.O=C47.C58=O.N46.C69
|
Cc1ccc(F)cc1CC(=O)NC[C@H](C1CC1)N(C)C(=O)[C@H]1CCCO1
|
CccccF)cc6CC=O)NC[C@H]CCC3)))NC)C=O)[C@H]CCCO5
|
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][C][O][Ring1][Branch1]
|
Cc1ccc(F)cc18.[C@H]16CCCO1.C8C2=O.C4[C@@H]57.C17CC1.N35C.C36=O.N24
|
CC(C)CC1(C(=O)N[C@@H]2CN(C(=O)CC3=CCCCC3)C[C@@H]2N=[N+]=[N-])CCC1
|
CCC)CCC=O)N[C@@H]CNC=O)CC=CCCCC6))))))))C[C@@H]5N=[N+]=[N-]))))))))))CCC4
|
[C][C][Branch1][C][C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=C][N][=N+1][=N-1][C][C][C][Ring2][Ring1][Branch2]
|
[C@@H]16CN5C[C@@H]1N=[N+]=[N-].C5(=O)CC1=CCCCC1.C178CCC1.CC(C)C8.C47=O.N46
|
CO[C@H](C)CC(=O)N[C@H]1[C@@H](C)N(C(=O)COC2CCC(C)CC2)CC[C@@H]1C
|
CO[C@H]C)CC=O)N[C@H][C@@H]C)NC=O)COCCCCC)CC6)))))))))CC[C@@H]6C
|
[C][O][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C@@H1][Ring2][Ring1][C][C]
|
[C@H]18[C@@H](C)N4CC[C@@H]1C.C17CCC(C)CC1.[C@@H]5(C)CC3=O.C4(=O)C6.CO5.N38.O67
|
Cc1ncnc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc4nccnc4n3)C2)c1F
|
CcncncN[C@@H]C[C@H]C)NC=O)ccccnccnc6n%10)))))))))))C5))))))c6F
|
[C][C][=N][C][=N][C][Branch2][Ring2][C][N][C@@H1][C][C@H1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2][F]
|
c18ccc2nccnc2n1.Cc1ncnc6c1F.[C@@H]17C[C@H](C)N5C1.C58=O.N67
|
CCc1[nH]c(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2CNC(=O)c2cnn[nH]2)nc1Cl
|
CCc[nH]cC=O)N[C@H]CCCC)C)C[C@@H]6CNC=O)ccnn[nH]5))))))))))))))))nc5Cl
|
[C][C][C][NH1][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][N][=N][NH1][Ring1][Branch1][=N][C][=Ring2][Ring1][=Branch2][Cl]
|
[C@H]16CCC(C)(C)C[C@@H]1%10.c19[nH]c7nc1Cl.c18cnn[nH]1.C37=O.C48=O.CC9.N36.C5%10.N45
|
C=CCCC[C@@H](NC(=O)[C@@H]1C=C(C)CS1)C(=O)NC[C@H]1C[C@@](C)(O)C1
|
C=CCCC[C@@H]NC=O)[C@@H]C=CC)CS5)))))))C=O)NC[C@H]C[C@@]C)O)C4
|
[C][=C][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][=C][Branch1][C][C][C][S][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C][Ring1][=Branch1]
|
C=CCCC[C@@H]4C3=O.[C@@H]16C=C(C)CS1.[C@H]17C[C@@](C)(O)C1.C26=O.N24.N35.C57
|
CC[C@H](OC)C(=O)NCCCCCCN(C)C(=O)C[C@@H](NC(N)=O)c1cccs1
|
CC[C@H]OC))C=O)NCCCCCCNC)C=O)C[C@@H]NCN)=O)))ccccs5
|
[C][C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][S][Ring1][Branch1]
|
C6CCCCC7.CC[C@H]5C2=O.C3(=O)C[C@@H]89.c19cccs1.N37C.C4(N)=O.O5C.N26.N48
|
CN1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C[C@@H]4CCC(=O)N4C)C[C@@H](C2)O3)CC1=O
|
CNCC[C@@H]C=O)NC[C@H]CNC=O)C[C@@H]CCC=O)N5C))))))))C[C@@H]C8)O6)))))))))CC6=O
|
[C][N][C][C][C@@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C@@H1][Branch1][Branch1][C][Ring2][Ring1][C][O][Ring1][P][C][C][Ring2][Ring1][O][=O]
|
N15C[C@@H]2CN6C[C@H](C1)O2.CN1CC[C@@H]7CC1=O.[C@@H]18CCC(=O)N1C.C6(=O)C8.C57=O
|
Cc1cc(O)nc(C(=O)N[C@@H]2C[C@H]2NC(=O)c2cnc(C3OCCO3)s2)c1
|
CcccO)ncC=O)N[C@@H]C[C@H]3NC=O)ccncCOCCO5)))))s5))))))))))))c6
|
[C][C][=C][C][Branch1][C][O][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][#Branch2]
|
Cc1cc8nc(O)c1.c19cnc%10s1.C1%10OCCO1.[C@@H]16C[C@H]17.C48=O.C59=O.N46.N57
|
Cn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2cccc3c2CC(=O)N3)[C@H](CF)C1
|
CnnccCl)c5C=O)NCCNC=O)cccccc6CC=O)N5))))))))))[C@H]CF))C6
|
[C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C@H1][Branch1][Ring1][C][F][C][Ring2][Ring1][Ring2]
|
c17cccc2c1CC(=O)N2.N14CCN5[C@H]8C1.Cn1ncc(Cl)c16.C46=O.C57=O.C8F
|
Cc1nc(C(=O)N[C@]2(C)C[C@@H](NC(=O)c3ccc(Br)s3)C2)c(C)n1C
|
CcncC=O)N[C@]C)C[C@@H]NC=O)ccccBr)s5)))))))C4))))))cC)n5C
|
[C][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][Ring1][=C][=C][Branch1][C][C][N][Ring2][Ring1][#Branch1][C]
|
Cc1nc8c(C)n1C.[C@]16(C)C[C@H]7C1.c19ccc(Br)s1.C48=O.C59=O.N46.N57
|
O=C(NC1CC(F)(F)C1)[C@H](c1ccc(F)c(I)c1)N1CCS[C@H]2CC[C@@H]21
|
O=CNCCCF)F)C4)))))[C@H]ccccF)cI)c6))))))NCCS[C@H]CC[C@@H]48
|
[O][=C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C@H1][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][I][=C][Ring1][Branch2][N][C][C][S][C@H1][C][C][C@@H1][Ring1][Ring2][Ring1][Branch2]
|
c16ccc(F)c(I)c1.N14CCS[C@H]2CC[C@@H]21.C15CC(F)(F)C1.O=C3[C@@H]46.N35
|
CN(CC(=O)NC[C@@H]1CCCC2(CN(c3ncncc3Br)C2)O1)C(N)=O
|
CNCC=O)NC[C@@H]CCCCCNcncncc6Br)))))))C4)))O6))))))))))CN)=O
|
[C][N][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][Branch1][P][C][N][Branch1][#Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][Br][C][Ring1][O][O][Ring1][S][C][Branch1][C][N][=O]
|
[C@@H]19CCCC2(CN8C2)O1.c18ncncc1Br.C6C4=O.CN56.C5(N)=O.N47.C79
|
CCCC1CC(C(=O)NCC(C)(C)CC(=O)NC2CCCCCCC2)C1
|
CCCCCCC=O)NCCC)C)CC=O)NCCCCCCCC8)))))))))))))))C4
|
[C][C][C][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][C][Ring2][Ring1][#Branch1]
|
C5C(C)(C)CC4=O.C16CCCCCCC1.C18CC7C1.CCC8.C37=O.N35.N46
|
C[C@@H](C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2NC(=O)c1cc(C(C)(C)C)on1)c1ccco1
|
C[C@@H]C=O)NC[C@H]CC[C@@H]6[C@@H]5NC=O)cccCC)C)C))on5)))))))))))))))cccco5
|
[C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][N][=Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1]
|
N13C[C@H]2CC[C@@H]1[C@@H]25.c16cc8on1.C[C@H]7C3=O.c17ccco1.C8(C)(C)C.C46=O.N45
|
CCNC(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)CCc2ccc(F)nc2)CC12CC2
|
CCNC=O)CC=O)NC)[C@@H]CCNC=O)CCccccF)nc6)))))))))CC6CC3
|
[C][C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][C][C][Ring1][P][C][C][Ring1][Ring1]
|
[C@@H]17CCN5CC12CC2.c18ccc(F)nc1.C3(=O)CC4=O.C5(=O)CC8.N47C.CC6.N36
|
CC1(C)OCCO[C@@H]1CN=c1nc(N2CCC(N3CCC3)CC2)c2c([nH]1)COC2
|
CCC)OCCO[C@@H]6CN=cncNCCCNCCC4))))CC6))))))cc[nH]6)COC5
|
[C][C][Branch1][C][C][O][C][C][O][C@@H1][Ring1][#Branch1][C][N][=C][N][=C][Branch1][P][N][C][C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][C][C][Ring1][#Branch2][C][=C][Branch1][Ring2][NH1][Ring1][S][C][O][C][Ring1][=Branch1]
|
C6N=c1nc4c2c([nH]1)COC2.CC1(C)OCCO[C@@H]16.N14CCC5CC1.N15CCC1
|
CCCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)CC1OCCO1
|
CCCC=O)NCCC[C@H]5C=O)NC[C@@H]C[C@@H]C[C@@H]3N6C=O)CCOCCO5
|
[C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][C][O][Ring1][Branch1]
|
[C@@H]18C[C@@H]2C[C@@H]2N15.N13CCC[C@H]17.CCCC3=O.C19OCCO1.C5(=O)C9.C47=O.N46.C68
|
Cc1c(CC(=O)N2CC[C@H]3CN(C(=O)c4cc(Br)co4)C[C@H]32)cnn1C
|
CccCC=O)NCC[C@H]CNC=O)cccBr)co5))))))C[C@H]58))))))))))cnn5C
|
[C][C][=C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][O][Ring1][=Branch1][C][C@H1][Ring1][=N][Ring1][S][C][=N][N][Ring2][Ring1][Branch2][C]
|
N15CC[C@H]2CN6C[C@H]21.Cc1c8cnn1C.c17cc(Br)co1.C8C5=O.C67=O
|
Cc1ccsc1CC(=O)N[C@H](CNC(=O)[C@H]1CC2(CCO1)CC2)C(C)C
|
Ccccsc5CC=O)N[C@H]CNC=O)[C@H]CCCCO6)))CC3))))))))CC)C
|
[C][C][C][=C][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][C][C]
|
[C@H]17CC2(CCO1)CC2.Cc1ccsc18.[C@@H]5(C6)C(C)C.C8C3=O.C47=O.N35.N46
|
COc1cc(C)nc(N(CCCNC(=O)C[C@@H]2COCCO2)C2CC2)n1
|
COcccC)ncNCCCNC=O)C[C@@H]COCCO6))))))))))))CCC3))))n6
|
[C][O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][O][N][Branch2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][O][C][C][O][Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch2]
|
c14cc(C)nc7n1.[C@@H]19COCCO1.C5CC6.C3(=O)C9.N578.C18CC1.CO4.N36
|
CC(=O)NCCNC(=O)C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)C1
|
CC=O)NCCNC=O)C[C@H]C[C@@H]NS=O)=O)CccccCF)F)F))cc6)))))))))C4
|
[C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
c1%10ccc%11cc1.[C@H]19C[C@@H]8C1.S7(=O)(=O)C%10.C4(=O)C9.C%11(F)(F)F.CC3=O.C5C6.N35.N46.N78
|
CC=CC=CC(=O)N1CC[C@@H](CNC(=O)CN(C)C(N)=O)C12CCC2
|
CC=CC=CC=O)NCC[C@@H]CNC=O)CNC)CN)=O)))))))C5CCC4
|
[C][C][=C][C][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][N][=O][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N13CC[C@@H]%10C12CCC2.C=9C3=O.C4(=O)C7.C=8C=9.N57C.C5(N)=O.CC=8.C6%10.N46
|
CC1=N[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)CCc3cc(C)[nH]n3)C2)CS1
|
CC=N[C@@H]C=O)N[C@]CO))CCCNC=O)CCcccC)[nH]n5))))))))C6))))))))CS5
|
[C][C][=N][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@][Branch1][Ring1][C][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][C][Ring2][Ring1][C][C][S][Ring2][Ring1][#Branch2]
|
[C@@]169CCCN5C1.CC1=N[C@@H]7CS1.c18cc(C)[nH]n1.C5(=O)CC8.C47=O.N46.C9O
|
CC[C@@H](C(=O)OC)N(CC)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1
|
CC[C@@H]C=O)OC)))NCC))C=O)[C@@H]CS=O)=O)CC=O)N6
|
[C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Ring1][=Branch2]
|
[C@@H]16CS(=O)(=O)CC(=O)N1.CC[C@H]4C2=O.N345.C36=O.O2C.C5C
|
O=C(COc1cn[nH]c1)NC1([C@H]2CCCCN2C(=O)Cn2ncccc2=O)CC1
|
O=CCOccn[nH]c5)))))))NC[C@H]CCCCN6C=O)Cnncccc6=O)))))))))))))))CC3
|
[O][=C][Branch1][#Branch2][C][O][C][C][=N][NH1][C][=Ring1][Branch1][N][C][Branch2][Ring1][#Branch1][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring1]
|
[C@H]19CCCCN14.n18ncccc1=O.c16cn[nH]c1.O=C3C5.C179CC1.C4(=O)C8.O56.N37
|
O=S(=O)(c1cccc(Br)c1F)N1CC=C(c2ccc3c(c2)CNC3)CC1
|
O=S=O)cccccBr)c6F)))))))NCC=Ccccccc6)CNC5))))))))CC6
|
[O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][F][N][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][C][C][Ring1][#C]
|
N14CC=C(c2ccc3c(c2)CNC3)CC1.O=S4(=O)c1cccc(Br)c1F
|
CC[C@@H](CNC(=O)C[C@@H]1CC=CCC1)NC(=O)c1ccc(P(C)(C)=O)cc1
|
CC[C@@H]CNC=O)C[C@@H]CC=CCC6))))))))))NC=O)ccccPC)C)=O))cc6
|
[C][C][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][=C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][P][Branch1][C][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]
|
c16ccc(P(C)(C)=O)cc1.[C@@H]17CC=CCC1.CC[C@H]4C5.C2(=O)C7.C36=O.N25.N34
|
COCc1cc(C(=O)N[C@@H]2CCN(C(=O)C#C[C@H]3CCOC3)C2)cs1
|
COCcccC=O)N[C@@H]CCNC=O)C#C[C@H]CCOC5))))))))C5)))))))cs5
|
[C][O][C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][#C][C@H1][C][C][O][C][Ring1][Branch1][C][Ring1][=C][=C][S][Ring2][Ring1][=Branch1]
|
C5(=O)C#C[C@H]1CCOC1.c19cc8cs1.[C@@H]17CCN5C1.C48=O.CO6.C69.N47
|
CON=CC(=O)N1C[C@H](CNC(=O)c2cscc2C(F)F)[C@@H]2C[C@H]21
|
CON=CC=O)NC[C@H]CNC=O)ccscc5CF)F))))))))))[C@@H]C[C@H]36
|
[C][O][N][=C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][Branch1][C][F][F][C@@H1][C][C@H1][Ring1][Ring1][Ring2][Ring1][C]
|
N13C[C@H]7[C@@H]2C[C@H]21.CON=CC3=O.c16cscc18.C46=O.C8(F)F.C57.N45
|
C[C@@H]1CCN(C(=O)c2ccc(F)cc2O)[C@H]1CNC(=O)c1cccc2nc[nH]c12
|
C[C@@H]CCNC=O)ccccF)cc6O))))))))[C@H]5CNC=O)cccccnc[nH]c95
|
[C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C@H1][Ring1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][N][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1]
|
c17cccc2nc[nH]c12.c16ccc(F)cc1O.C[C@@H]1CCN3[C@H]18.C36=O.C47=O.C58.N45
|
Cc1ccc([C@@H](O)CNC(=O)Nc2cccc(NC(=O)c3cnoc3C)c2)o1
|
Ccccc[C@@H]O)CNC=O)NcccccNC=O)ccnoc5C))))))))c6)))))))))))o5
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][=C][Ring1][#C][O][Ring2][Ring1][O]
|
c18cccc9c1.Cc1ccc%11o1.c1%10cnoc1C.[C@H]%11(O)C7.C45=O.C6%10=O.N47.N58.N69
|
C#CCCOCC(=O)NC12C[C@H]3C[C@@H](C1)CC(NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C)(C3)C2
|
C#CCCOCC=O)NCC[C@H]C[C@@H]C6)CCNC=O)[C@@H]O[C@@H]C)C[C@H]5C))))))))C6)C8
|
[C][#C][C][C][O][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C@@H1][O][C@@H1][Branch1][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][P][C][Ring2][Ring1][Ring2]
|
C128C[C@H]3C[C@@H](C1)CC9(C3)C2.[C@@H]1%10O[C@@H](C)C[C@H]1C.C#CCC6.C7C4=O.C5%10=O.O67.N48.N59
|
CC(Cl)=CC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1ccc3oc(C)nc3c1)C2
|
CCCl)=CC=O)N[C@]CCC[C@@H]5CNC=O)ccccocC)nc5c9))))))))))C8
|
[C][C][Branch1][C][Cl][=C][C][=Branch1][C][=O][N][C@][C][C][C][C@@H1][Ring1][Branch1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
c17ccc2oc(C)nc2c1.[C@]126CCC[C@@H]1CN5C2.C=8C4=O.CC=8Cl.C57=O.N46
|
Cc1nccn1[C@@H](C)C(=O)NC[C@H](NC(=O)c1sc2nccn2c1C)C1CCC1
|
Ccnccn5[C@@H]C)C=O)NC[C@H]NC=O)cscnccn5c8C)))))))))))CCCC4
|
[C][C][=N][C][=C][N][Ring1][Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][Branch2][C][C][C][C][C][Ring1][Ring2]
|
c17sc2nccn2c1C.Cc1nccn18.[C@H]8(C)C3=O.C5[C@H]69.C19CCC1.C47=O.N35.N46
|
C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CSc2nncs2)[C@H](O)C1
|
C=CCO[C@H]C)C=O)NCC[C@@H]CNC=O)CScnncs5))))))))))[C@H]O)C6
|
[C][=C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][Ring1][Branch1][C@H1][Branch1][C][O][C][Ring2][Ring1][C]
|
N13CC[C@@H]9[C@H](O)C1.[C@@H]6(C)C3=O.c1%10nncs1.C4(=O)C8.C=CC5.O56.C79.N47.S8%10
|
C#CC[C@@H](C)C(=O)NCc1cnn2c1CN(C(=O)[C@H]1CCN(C)S1(=O)=O)CC2
|
C#CC[C@@H]C)C=O)NCccnnc5CNC=O)[C@H]CCNC)S5=O)=O)))))))CC6
|
[C][#C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][N][C][=Ring1][Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O][C][C][Ring1][S]
|
c17cnn2c1CN4CC2.[C@H]16CCN(C)S1(=O)=O.C#CC[C@@H](C)C3=O.C46=O.N35.C57
|
O=C(NNc1ccc2c(c1)CCO2)C(=O)Nc1c(F)ccc2c1OCO2
|
O=CNNcccccc6)CCO5))))))))))C=O)NccF)cccc6OCO5
|
[O][=C][Branch2][Ring1][C][N][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1]
|
O=C(NNc1ccc2c(c1)CCO2)C3=O.c14c(F)ccc2c1OCO2.N34
|
C=CC[C@]1(C(=O)OCC(=O)N[C@H](C(C)=O)C(C)C)CCCN1C(=O)OC(C)(C)C
|
C=CC[C@]C=O)OCC=O)N[C@H]CC)=O))CC)C))))))))CCCN5C=O)OCC)C)C
|
[C][=C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][C][C][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
[C@]19%10CCCN15.[C@@H]8(C(C)=O)C(C)C.C6C4=O.C7(C)(C)C.C=CC%10.C29=O.C35=O.O26.N48.O37
|
COC[C@H](NC(C)=O)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(C)cn2)C1
|
COC[C@H]NCC)=O)))C=O)NCCO[C@@H]CNC=O)ccccC)cn6)))))))))C6
|
[C][O][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][Ring1][P]
|
N14CCO[C@@H]%10C1.c19ccc(C)cn1.C6[C@H]7C4=O.C3(C)=O.C59=O.CO6.N37.C8%10.N58
|
CC[C@H](NC(=O)N1Cc2[nH]ccc(=O)c2C1)c1ncc(C)[nH]1
|
CC[C@H]NC=O)NCc[nH]ccc=O)c6C9)))))))))))cnccC)[nH]5
|
[C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][NH1][C][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][Ring1][#Branch2][C][=N][C][=C][Branch1][C][C][NH1][Ring1][=Branch1]
|
N14Cc2[nH]ccc(=O)c2C1.c16ncc(C)[nH]1.CC[C@H]56.C34=O.N35
|
N#CC1(CC(=O)NCC2(CCNC(=O)C[C@@H]3C[C@H]4CC[C@H]3O4)CC2)CCCCC1
|
N#CCCC=O)NCCCCNC=O)C[C@@H]C[C@H]CC[C@H]6O5))))))))))))CC3)))))))CCCCC6
|
[N][#C][C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][O][Ring1][Branch1][C][C][Ring1][S][C][C][C][C][C][Ring2][Ring1][O]
|
N#CC19CCCCC1.[C@@H]1%12C[C@H]2CC[C@H]1O2.C9C5=O.C1%10%11CC1.C6(=O)C%12.C%11C8.N57.C7%10.N68
|
Cc1cnc2cccc(C(=O)NCCCN(C(=O)CC#N)C3CC3)n12
|
CccncccccC=O)NCCCNC=O)CC#N))))CCC3)))))))))n96
|
[C][C][=C][N][=C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][C][C][Ring1][Ring1][N][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1]
|
Cc1cnc2cccc9n12.C5(=O)CC#N.C6CC7.C49=O.N578.C18CC1.N46
|
O=C(COCC1CCCC1)NC[C@H]1CN(CC[C@@H]2CCCO2)CCO1
|
O=CCOCCCCCC5))))))))NC[C@H]CNCC[C@@H]CCCO5)))))))CCO6
|
[O][=C][Branch1][O][C][O][C][C][C][C][C][C][Ring1][Branch1][N][C][C@H1][C][N][Branch1][#Branch2][C][C][C@@H1][C][C][C][O][Ring1][Branch1][C][C][O][Ring1][=N]
|
[C@H]18CN7CCO1.C1%10CCCC1.[C@@H]19CCCO1.O=C3C4.C7C9.O45.C5%10.N36.C68
|
CC(C)[C@@H](NS(N)(=O)=O)C(=O)NCC[C@@H]1COCCN1C(=O)CC1CC(C)(C)C1
|
CCC)[C@@H]NSN)=O)=O)))C=O)NCC[C@@H]COCCN6C=O)CCCCC)C)C4
|
[C][C][Branch1][C][C][C@@H1][Branch1][#Branch2][N][S][Branch1][C][N][=Branch1][C][=O][=O][C][=Branch1][C][=O][N][C][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1]
|
CC(C)[C@@H]4C2=O.[C@@H]16COCCN13.C17CC(C)(C)C1.N4S(N)(=O)=O.C3(=O)C7.C5C6.N25
|
CC(C(=O)N(C)CC1CCN(C(=O)[C@]2(O)CN3CCC2CC3)CC1)=C1CCC1
|
CCC=O)NC)CCCCNC=O)[C@]O)CNCCC6CC6)))))))))CC6)))))))))=CCCC4
|
[C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@][Branch1][C][O][C][N][C][C][C][Ring1][#Branch1][C][C][Ring1][=Branch1][C][C][Ring1][P][=C][C][C][C][Ring1][Ring2]
|
[C@@]17(O)CN2CCC1CC2.C19CCN5CC1.CC=8C4=O.C1=8CCC1.N46C.C57=O.C69
|
CCCC[C@@H](C)NC(=O)[C@@H]1CN(C(=O)CNC(=O)CCC)CCO1
|
CCCC[C@@H]C)NC=O)[C@@H]CNC=O)CNC=O)CCC)))))))CCO6
|
[C][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][O][Ring1][#C]
|
[C@@H]17CN3CCO1.CCCC[C@H]5C.C4(=O)CCC.C3(=O)C6.C27=O.N25.N46
|
Cc1c(NC(=O)[C@H]2CCC[C@H]2S(C)(=O)=O)cnn1C1CCC1
|
CccNC=O)[C@H]CCC[C@H]5SC)=O)=O)))))))))cnn5CCCC4
|
[C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][C@H1][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][N][Ring1][P][C][C][C][C][Ring1][Ring2]
|
[C@H]15CCC[C@H]1S(C)(=O)=O.Cc1c4cnn16.C16CCC1.C35=O.N34
|
Cn1cc(C(=O)N[C@H]2C[C@@H]3CC[C@H]2C[C@@H]3NC(=O)[C@]2(C#N)CCCO2)nn1
|
CnccC=O)N[C@H]C[C@@H]CC[C@H]6C[C@@H]6NC=O)[C@]C#N))CCCO5)))))))))))))))))nn5
|
[C][N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@][Branch1][Ring1][C][#N][C][C][C][O][Ring1][#Branch1][N][=N][Ring2][Ring1][#Branch2]
|
[C@H]16C[C@@H]2CC[C@H]1C[C@@H]27.[C@@]18(C#N)CCCO1.Cn1cc9nn1.C49=O.C58=O.N46.N57
|
C[C@H](OC(C)(C)C)C(=O)NCCc1nccn1C(F)F
|
C[C@H]OCC)C)C)))C=O)NCCcnccn5CF)F
|
[C][C@H1][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F]
|
c17nccn16.C[C@H]3C2=O.C4(C)(C)C.C5C7.C6(F)F.O34.N25
|
O=C(CN1CCCC1=O)NC[C@H]1CC[C@H]1NC(=O)C(=O)c1c[nH]c2ccccc12
|
O=CCNCCCC5=O)))))))NC[C@H]CC[C@H]4NC=O)C=O)cc[nH]cccccc96
|
[O][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][N][C][C@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
c17c[nH]c2ccccc12.N18CCCC1=O.[C@H]19CC[C@H]16.C4(=O)C7=O.O=C3C8.N35.C59.N46
|
COC(=O)c1c(C(=O)N2CC[C@]3(CCCN3C(=O)c3cccs3)C2)n[nH]c1C
|
COC=O)ccC=O)NCC[C@]CCCN5C=O)ccccs5))))))))))C5))))))n[nH]c5C
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][S][=N][NH1][C][=Ring2][Ring1][#Branch1][C]
|
N15CC[C@]2(CCCN26)C1.c19c7n[nH]c1C.c18cccs1.C49=O.C57=O.C68=O.CO4
|
O=C([C@H]1CCc2nnc(C(F)(F)F)n2C1)N1C[C@@H]2C[C@]2(CO)C1
|
O=C[C@H]CCcnncCF)F)F))n5C9)))))))))NC[C@@H]C[C@]3CO))C6
|
[O][=C][Branch2][Ring1][Branch2][C@H1][C][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][C][Ring1][=N][N][C][C@@H1][C][C@][Ring1][Ring1][Branch1][Ring1][C][O][C][Ring1][Branch2]
|
[C@H]14CCc2nnc5n2C1.N13C[C@@H]2C[C@]26C1.C5(F)(F)F.O=C34.C6O
|
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C=Cc2ccc(Cl)nc2)C1
|
COC=O)NCCC[C@@H][C@H]C)NC=O)C=CccccCl)nc6)))))))))))C6
|
[C][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][#Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2]
|
C=7c1ccc(Cl)nc1.N14CCC[C@@H]8C1.C5(=O)C=7.C34=O.[C@@H]68C.CO3.N56
|
C[C@H](CC(=O)NC[C@H]1CCCN(C(=O)CNC(=O)C2CCC2)CC1)C(F)(F)F
|
C[C@H]CC=O)NC[C@H]CCCNC=O)CNC=O)CCCC4))))))))CC7)))))))))))CF)F)F
|
[C][C@H1][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]
|
C[C@H](CC3=O)C(F)(F)F.[C@H]19CCCN4CC1.C4(=O)C7.C18CCC1.C58=O.N36.C69.N57
|
CCS(=O)(=O)c1ccccc1NC(=O)[C@@]12CCN(C(=O)Cn3ccnc3)C[C@H]1C2
|
CCS=O)=O)cccccc6NC=O)[C@@]CCNC=O)Cnccnc5)))))))C[C@H]6C7
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][C@H1][Ring1][=C][C][Ring1][#C]
|
CCS(=O)(=O)c1ccccc16.[C@@]127CCN5C[C@H]1C2.n18ccnc1.C5(=O)C8.C47=O.N46
|
Cc1nc(F)ccc1NC(=O)C[C@H](O)CNC(=O)COc1ccn(C)n1
|
CcncF)ccc6NC=O)C[C@H]O)CNC=O)COcccnC)n5
|
[C][C][=N][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1]
|
Cc1nc(F)ccc17.C2(=O)C[C@H](O)C6.c15ccn(C)n1.C3(=O)C4.N27.N36.O45
|
C[C@@H]1CCN(C(=O)c2cccn3c(CO)nnc23)[C@H](CNC(=O)CCF)C1
|
C[C@@H]CCNC=O)ccccncCO))nnc95))))))))))[C@H]CNC=O)CCF))))))C6
|
[C][C@@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][C][Branch1][Ring1][C][O][=N][N][=C][Ring1][O][Ring1][#Branch1][C@H1][Branch1][#Branch2][C][N][C][=Branch1][C][=O][C][C][F][C][Ring2][Ring1][#Branch2]
|
c17cccn2c9nnc12.C[C@@H]1CCN4[C@H]8C1.C5(=O)CCF.C47=O.C9O.C68.N56
|
Cc1cc(=NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)[nH]cc1C#N
|
Cccc=NC=O)N[C@@H]C)cnoc-ccccCl)cc6))))))n5)))))))))[nH]cc6C#N
|
[C][C][=C][C][=Branch2][Ring1][#C][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][NH1][C][=C][Ring2][Ring1][Branch2][C][#N]
|
Cc1cc(=NC4=O)[nH]cc1C#N.c17ccc(Cl)cc1.c16noc7n1.[C@@H]56C.N45
|
CCn1nc(Br)c(C(=O)N(C)CCNC(=O)C(C)(C)CC2CC2)n1
|
CCnncBr)cC=O)NC)CCNC=O)CC)C)CCCC3)))))))))))n5
|
[C][C][N][N][=C][Branch1][C][Br][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch1]
|
n18nc7c(Br)n1.C4(=O)C(C)(C)C9.C37=O.N35C.C5C6.C19CC1.CC8.N46
|
CN(CCCNC(=O)[C@H](O)c1ccc(F)c(F)c1)C(=O)[C@@H]1CSCC(=O)N1
|
CNCCCNC=O)[C@H]O)ccccF)cF)c6))))))))))))C=O)[C@@H]CSCC=O)N6
|
[C][N][Branch2][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][C][S][C][C][=Branch1][C][=O][N][Ring1][#Branch1]
|
c17ccc(F)c(F)c1.[C@@H]16CSCC(=O)N1.C2(=O)[C@@H]7O.C4CC5.CN34.C36=O.N25
|
C[C@@H](C(=O)O)C(=O)OCC(=O)C1(NC(=O)C(F)(F)F)CCCC1
|
C[C@@H]C=O)O))C=O)OCC=O)CNC=O)CF)F)F))))CCCC5
|
[C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][Ring1][N]
|
C[C@H](C2=O)C(=O)O.C156CCCC1.C3(=O)C(F)(F)F.C4C6=O.O24.N35
|
CCCc1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23COC3)s1
|
CCCcnccC=O)NCCNC=O)OCC)C)C))))CC6COC4))))))))))s5
|
[C][C][C][C][=N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][O][C][Ring1][Ring2][S][Ring2][Ring1][#Branch1]
|
N15CCN6CC12COC2.c19ncc8s1.C7(C)(C)C.CCC9.C58=O.C46=O.O47
|
CCN(CCNC(=O)[C@H]1CC2(CCC2)CO1)C(=O)[C@@H](C)C(C)C
|
CCNCCNC=O)[C@H]CCCCC4)))CO5)))))))))C=O)[C@@H]C)CC)C
|
[C][C][N][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Branch1][C][C][C]
|
[C@H]18CC2(CCC2)CO1.C4(=O)[C@@H](C)C(C)C.N456.C6C7.C38=O.CC5.N37
|
Cc1cc(C(=O)N2CC3(NC(=O)c4ccc(S(N)(=O)=O)o4)CC2C3)sc1Cl
|
CcccC=O)NCCNC=O)ccccSN)=O)=O))o5)))))))CC5C4)))))))sc5Cl
|
[C][C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][O][Ring1][=Branch2][C][C][Ring1][P][C][Ring1][S][S][C][=Ring2][Ring1][=Branch2][Cl]
|
c19ccc(S(N)(=O)=O)o1.Cc1cc8sc1Cl.N15CC27CC1C2.C58=O.C69=O.N67
|
CCC[C@H](O)CC(=O)N(C)[C@H]1CN(C(=O)CCCC#N)CCc2ccccc21
|
CCC[C@H]O)CC=O)NC)[C@H]CNC=O)CCCC#N))))))CCcccccc6%11
|
[C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][C][#N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
N3(C)[C@H]1CN4CCc2ccccc21.CCC[C@H](O)CC3=O.C4(=O)CCCC#N
|
O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C(F)(F)F)nc1Cl)C(=O)C1CC1
|
O=CNCC[C@H]CCC[C@@H]C8)N6CccccCF)F)F))nc6Cl)))))))))))))))))C=O)CCC3
|
[O][=C][Branch2][Ring2][Branch1][N][C][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][Cl][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
C15C[C@H]2CCC[C@@H](C1)N24.c18ccc7nc1Cl.O=C3C6=O.C7(F)(F)F.C16CC1.N35.C48
|
CC1(C)C[C@H](NC(=O)c2cnc(O)c(Cl)c2)CN(C(=O)c2ccc(CO)s2)C1
|
CCC)C[C@H]NC=O)ccncO)cCl)c6))))))))CNC=O)ccccCO))s5))))))C6
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1][C][Ring2][Ring1][O]
|
CC1(C)C[C@H]5CN4C1.c17cnc(O)c(Cl)c1.c16ccc8s1.C37=O.C46=O.N35.C8O
|
COC(=O)c1c(N2CC[C@H](NC(=O)[C@H]3CCOCC3(C)C)C2)nnc2c1CCC2
|
COC=O)ccNCC[C@H]NC=O)[C@H]CCOCC6C)C)))))))))C5)))))nncc6CCC5
|
[C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][N][N][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C][O][C][C][Ring1][=Branch1][Branch1][C][C][C][C][Ring1][S][N][=N][C][=C][Ring2][Ring1][=Branch1][C][C][C][Ring1][Branch1]
|
c19c6nnc2c1CCC2.[C@H]18CCOCC1(C)C.N16CC[C@H]7C1.C49=O.C58=O.CO4.N57
|
CN(CC(=O)NCCC1(NC(=O)COCCCF)CCC1)c1ccncc1
|
CNCC=O)NCCCNC=O)COCCCF))))))))CCC4)))))))))cccncc6
|
[C][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][O][C][C][C][F][C][C][C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
c19ccncc1.C18%10CCC1.C6C2=O.C3(=O)C4.C5CCF.CN69.C7C%10.N27.N38.O45
|
Cc1ccc(SCC(=O)N2CC[C@](O)([C@@H](C)NC(=O)CC(C)(C)C)C2)cc1C
|
CccccSCC=O)NCC[C@]O)[C@@H]C)NC=O)CCC)C)C))))))C5))))))))cc6C
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][Ring1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch2][C]
|
Cc1ccc8cc1C.N13CC[C@@]7(O)C1.C4(=O)CC(C)(C)C.C6C3=O.[C@H]57C.S68.N45
|
C=CCOc1ccc(Cl)c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)C#CC(C)(C)C)n1
|
C=CCOccccCl)cC=O)NC[C@H]CCC[C@H]5NC=O)C#CCC)C)C))))))))))))))n6
|
[C][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][=Branch2]
|
c16ccc(Cl)c9n1.C4(=O)C#CC(C)(C)C.[C@H]1%10CCC[C@H]18.C=CC5.C39=O.O56.N37.C7%10.N48
|
CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1
|
CNccccBr)cc6[N+]=O)[O-]))))))))[C@@H]CCNC=O)[C@H]CCcnccn5C9))))))))))C5
|
[C][N][Branch1][P][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][S]
|
c15ccc(Br)cc1[N+](=O)[O-].[C@H]17CCc2nccn2C1.[C@@H]16CCN4C1.CN56.C47=O
|
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