SMILES
stringlengths 6
120
| Deep SMILES
stringlengths 6
124
| SELFIES
stringlengths 18
409
| SAFE
stringlengths 9
126
|
|---|---|---|---|
Cn1nnc2cc(C(=O)N(CCO)[C@H]3CCCN(C(=O)[C@H]4CCOC4)C3)sc21
|
CnnncccC=O)NCCO)))[C@H]CCCNC=O)[C@H]CCOC5))))))C6))))))))sc58
|
[C][N][N][=N][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C@H1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][O][C][Ring1][Branch1][C][Ring1][=N][S][C][=Ring2][Ring1][Branch2][Ring2][Ring1][O]
|
Cn1nnc2cc9sc21.C18CCCN6C1.C1%10CCOC1.C59=O.N578.C7CO.C6%10=O
|
Cc1cnc2c(C(=O)N3CC[C@@H](NC(=O)c4cc(Cl)n(C)n4)C3(C)C)cnn2c1
|
CccnccC=O)NCC[C@@H]NC=O)cccCl)nC)n5)))))))C5C)C)))))))cnn5c9
|
[C][C][C][=N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][N][Branch1][C][C][N][=Ring1][#Branch1][C][Ring1][#C][Branch1][C][C][C][C][=N][N][Ring2][Ring1][Branch2][C][=Ring2][Ring1][N]
|
Cc1cnc2c9cnn2c1.N15CCC7C1(C)C.c18cc(Cl)n(C)n1.C59=O.C68=O.N67
|
CNC(=O)C1CCN([C@@H](C(=O)NC2CC2)c2nccs2)CC1
|
CNC=O)CCCN[C@@H]C=O)NCCC3)))))cnccs5))))))CC6
|
[C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C@@H1][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][C]
|
C17CCN5CC1.C58C4=O.c18nccs1.C37=O.C16CC1.CN3.N46
|
CS(=O)(=O)N1CC[C@@H]1C(=O)NCC1(NC(=O)c2nccn3nccc23)CC1
|
CS=O)=O)NCC[C@@H]4C=O)NCCNC=O)cnccnnccc95)))))))))))CC3
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][N][N][=C][C][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Ring1][#C]
|
c1%10nccn2nccc12.N18CCC19.CS8(=O)=O.C17%11CC1.C49=O.C5%10=O.N46.C6%11.N57
|
COCCCN=C(NCC(C)(C)C1CCOCC1)N[C@H](C)c1ccn(C)c1
|
COCCCN=CNCCC)C)CCCOCC6)))))))))N[C@H]C)cccnC)c5
|
[C][O][C][C][C][N][=C][Branch2][Ring1][C][N][C][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch1][N][C@H1][Branch1][C][C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1]
|
C2CCN=C(N3)N4.C15CCOCC1.c16ccn(C)c1.C3C5(C)C.C46C.CO2
|
O=C(COc1cccc2cccnc12)N[C@@H](CO)CC(F)(F)F
|
O=CCOccccccccnc%106))))))))))))N[C@@H]CO))CCF)F)F
|
[O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C@@H1][Branch1][Ring1][C][O][C][C][Branch1][C][F][Branch1][C][F][F]
|
c15cccc2cccnc12.C6(CO)CC(F)(F)F.O=C3C4.O45.N36
|
C#C[C@]1(O)C[C@@H](C(=O)N[C@H](CC(=O)N2CCCCO2)C2CC2)C1
|
C#C[C@]O)C[C@@H]C=O)N[C@H]CC=O)NCCCCO6))))))))CCC3))))))C4
|
[C][#C][C@][Branch1][C][O][C][C@@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][O][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch1]
|
C46CC(=O)N1CCCCO1.C#CC1(O)CC5C1.C35=O.C16CC1.N34
|
O=C(C=CC1CC1)N1CCC2(C1)CN(C(=O)c1c(O)cccc1F)C2
|
O=CC=CCCC3)))))NCCCC5)CNC=O)ccO)cccc6F))))))))C4
|
[O][=C][Branch1][Branch2][C][=C][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C]
|
N13CCC2(C1)CN4C2.c15c(O)cccc1F.O=C3C=6.C=6C1CC1.C45=O
|
C[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)[C@@H]1CN=c1[nH]c(Cl)ncc1Br
|
C[C@@H]CCCNC=O)CC[C@H]CCCO5))))))))[C@@H]6CN=c[nH]cCl)ncc6Br
|
[C][C@@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C@H1][C][C][C][O][Ring1][Branch1][C@@H1][Ring1][#C][C][N][=C][NH1][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Br]
|
C5N=c1[nH]c(Cl)ncc1Br.CC1CCCN3C15.C3(=O)CC4.C14CCCO1
|
O=CNc1nc(CC(=O)N2CCC[C@H](CNC(=O)COCC3CCC3)C2)cs1
|
O=CNcncCC=O)NCCC[C@H]CNC=O)COCCCCC4))))))))))C6))))))))cs5
|
[O][=C][N][C][=N][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Ring2][C][Ring1][P][=C][S][Ring2][Ring1][=Branch2]
|
N14CCCC%11C1.c19nc%10cs1.C%10C4=O.C5(=O)C6.C1%12CCC1.O=CN9.C8%11.N58.O67.C7%12
|
C[C@H](Sc1ccccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]c2c1CCC2
|
C[C@H]Scccccn6)))))))C=O)N[C@H]C[C@H]CC[C@@H]6N5C=O)cn[nH]cc5CCC5
|
[C][C@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1]
|
C16CC2CCC1N24.c17n[nH]c2c1CCC2.c18ccccn1.CC5C3=O.C47=O.S58.N36
|
C[C@@H](CN(C)c1nnc(CO)s1)NC(=O)[C@@H](C)CC1CCCC1
|
C[C@@H]CNC)cnncCO))s5)))))))NC=O)[C@@H]C)CCCCCC5
|
[C][C@@H1][Branch1][P][C][N][Branch1][C][C][C][=N][N][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch1]
|
c15nnc6s1.C2(=O)C(C)C7.C17CCCC1.CC3C4.N45C.C6O.N23
|
NC(=O)c1ccc(CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCCO4)CC[C@@H]32)cn1
|
NC=O)ccccCC=O)NCC[C@@H]CNC=O)[C@@H]CCCO5))))))CC[C@@H]69)))))))))))cn6
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][O][Ring1][Branch1][C][C][C@@H1][Ring1][=N][Ring1][S][C][=N][Ring2][Ring1][=Branch2]
|
N15CCC2CN6CCC21.c18ccc9cn1.C17CCCO1.C9C5=O.NC8=O.C67=O
|
CCN1CCN(C(=O)[C@@H]2[C@H](NC(=O)c3cc4cccn4cn3)C2(C)C)[C@H](C)C1
|
CCNCCNC=O)[C@@H][C@H]NC=O)ccccccn5cn9)))))))))))C3C)C)))))[C@H]C)C6
|
[C][C][N][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C@@H1][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][=N][Ring1][=Branch2][C][Ring1][#C][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring2][Ring1][#Branch2]
|
c19cc2cccn2cn1.N17CCN5C(C)C1.C1%10C8C1(C)C.C5%10=O.C69=O.CC7.N68
|
CC[C@@H]1CN(C(=O)C[C@@H]2COCC2(C)C)CC[C@@H]1NC(=O)[C@H]1CC(F)(F)C1(C)C
|
CC[C@@H]CNC=O)C[C@@H]COCC5C)C))))))))CC[C@@H]6NC=O)[C@H]CCF)F)C4C)C
|
[C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][C][O][C][C][Ring1][Branch1][Branch1][C][C][C][C][C][C@@H1][Ring1][S][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][Branch1][C][C][C]
|
C17CN3CCC15.C16CC(F)(F)C1(C)C.C18COCC1(C)C.C3(=O)C8.C46=O.CC7.N45
|
CCC1=NO[C@H](CC(=O)NC2(C(=O)N3CC(CO)(OC)C3)CC(F)(F)C2)C1
|
CCC=NO[C@H]CC=O)NCC=O)NCCCO))OC))C4)))))CCF)F)C4)))))))C5
|
[C][C][C][=N][O][C@H1][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][Branch1][Ring1][O][C][C][Ring1][Branch2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][S][C][Ring2][Ring1][=Branch2]
|
CCC1=NOC9C1.C178CC(F)(F)C1.N15CC6%10C1.C9C4=O.C58=O.N47.C%10O.O6C
|
CCn1cnnc1C(=O)N1CC[C@@H](NC(=O)Cc2cccc(Cl)c2Cl)C1(C)C
|
CCncnnc5C=O)NCC[C@@H]NC=O)CcccccCl)c6Cl))))))))))C5C)C
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Ring1][P][Branch1][C][C][C]
|
N13CCC5C1(C)C.c18cccc(Cl)c1Cl.n17cnnc16.C4(=O)C8.C36=O.CC7.N45
|
C[C@H](F)CC(=O)N1CCC(C)(C)[C@H]1CC(=O)NCCn1cccnc1=O
|
C[C@H]F)CC=O)NCCCC)C)[C@H]5CC=O)NCCncccnc6=O
|
[C][C@H1][Branch1][C][F][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O]
|
N12CCC(C)(C)C16.n15cccnc1=O.CC(F)CC2=O.C6C3=O.C4C5.N34
|
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)N1CC[C@H]2CC[C@H]21
|
C[C@H]CC=O)ccccF)cc6))))))))NC=O)NCC[C@H]CC[C@H]47
|
[C][C@H1][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C@H1][Ring1][Ring2][Ring1][#Branch1]
|
c16ccc(F)cc1.N14CCC2CCC21.CC5CC6=O.C34=O.N35
|
CCSCCC(=O)N1CC[C@@H](c2cn(CCN3CCSC(C)(C)C3)nn2)C12CC2
|
CCSCCC=O)NCC[C@@H]ccnCCNCCSCC)C)C6))))))))nn5)))))C5CC3
|
[C][C][S][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][N][C][C][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][N][=N][Ring1][#C][C][Ring2][Ring1][Ring2][C][C][Ring1][Ring1]
|
N14CCC9C12CC2.N15CCSC(C)(C)C1.c19cn8nn1.C7CC4=O.C8C5.CC6.S67
|
CCCc1ncc(CNC(=O)[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)o1
|
CCCcnccCNC=O)[C@@H]CCCCNC=O)OCC)C)C))))CC6)))))O4)))))))o5
|
[C][C][C][C][=N][C][=C][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][O][Ring1][S][O][Ring2][Ring1][=Branch2]
|
C19CC2(CCN6CC2)O1.c1%10ncc%11o1.C7(C)(C)C.CCC%10.C59=O.C46=O.C8%11.N58.O47
|
CCn1ccc(-c2cc(C(=O)N3C[C@H]4[C@H](C3)C4(C)C)cc3[nH]ccc23)n1
|
CCnccc-cccC=O)NC[C@H][C@H]C5)C3C)C)))))))cc[nH]ccc95)))))))))n5
|
[C][C][N][C][=C][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C][=C][C][NH1][C][=C][C][Ring2][Ring1][Ring1][=Ring1][Branch1][=N][Ring2][Ring1][Branch2]
|
c18cc6cc2[nH]ccc12.N15CC2C(C1)C2(C)C.n17ccc8n1.C56=O.CC7
|
Cc1ccc(C(=O)NC[C@@H]2C=CCN2C(=O)C(C)(F)F)c(O)n1
|
CccccC=O)NC[C@@H]C=CCN5C=O)CC)F)F)))))))))))cO)n6
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][F][F][C][Branch1][C][O][=N][Ring2][Ring1][=Branch1]
|
Cc1ccc6c(O)n1.C17C=CCN14.C4(=O)C(C)(F)F.C36=O.N35.C57
|
CO[C@@H](C)CCC(=O)N(C)CCCN(C)CC(=O)Nc1ccc(C)c(C)c1
|
CO[C@@H]C)CCC=O)NC)CCCNC)CC=O)NccccC)cC)c6
|
[C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2]
|
c18ccc(C)c(C)c1.C4(C)CCC2=O.C5CC6.C7C3=O.N25C.N67C.CO4.N38
|
CC[C@H](NC(=O)/C=C/C(C)(C)NC(=O)[C@@H]1CCC[C@H]1OC)[C@@H](C)CN(C)C
|
CC[C@H]NC=O)/C=C/CC)C)NC=O)[C@@H]CCC[C@H]5OC))))))))))))))[C@@H]C)CNC)C
|
[C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C]
|
CCC5C(C)C7.C18CCCC14.C=9C6(C)C.C2(=O)C=9.C38=O.N7(C)C.N25.N36.O4C
|
CCCN(C)Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)C[C@H](C)N(C)C)C2)o1
|
CCCNC)CccccC=O)NC[C@@H]C[C@]3CNC=O)C[C@H]C)NC)C)))))))C6)))))))o5
|
[C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C][C@][Ring1][Ring1][Branch1][P][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][C][Ring1][S][O][Ring2][Ring1][#Branch1]
|
N14CC2CC2%12C1.c1%11ccc%10o1.C5(=O)CC9C.CCC6.N67C.C4%10=O.N9(C)C.C7%11.C8%12.N58
|
CCc1cnc(C(=O)N[C@]2(COC)CCCN(C(=O)Cc3cscn3)C2)nc1
|
CCccncC=O)N[C@]COC)))CCCNC=O)Cccscn5)))))))C6))))))))nc6
|
[C][C][C][=C][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@][Branch1][Ring2][C][O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][S][C][=N][Ring1][Branch1][C][Ring1][P][N][=C][Ring2][Ring1][#Branch2]
|
C17%10CCCN5C1.c1%11cnc8nc1.c19cscn1.C5(=O)C9.C48=O.CC%11.N47.C6%10.O6C
|
Cc1cc(C(=O)N2CCOC[C@H]2CCNC(=O)c2occ(C)c2C)[nH]c1C
|
CcccC=O)NCCOC[C@H]6CCNC=O)coccC)c5C)))))))))))))))))[nH]c5C
|
[C][C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][NH1][C][=Ring2][Ring1][=Branch2][C]
|
Cc1cc6[nH]c1C.N13CCOCC18.c17occ(C)c1C.C36=O.C8C5.C47=O.N45
|
Cc1cc(F)cc(C)c1CN[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1
|
CcccF)ccC)c6CN[C@H]CCC[C@@H]C=O)NcccCl)cN)cCl)c6))))))))C6
|
[C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][N][C@H1][C][C][C][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
Cc1cc(F)cc(C)c18.c15cc(Cl)c(N)c(Cl)c1.C16CCCC7C1.C37=O.C48.N46.N35
|
CN(C)C(=O)N1CC(C(=O)NC[C@@]23CC[C@@H](C[C@@H]2NC(=O)c2ccon2)C3)C1
|
CNC)C=O)NCCC=O)NC[C@@]CC[C@@H]C[C@@H]6NC=O)cccon5)))))))))C5))))))))C4
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@][C][C][C@@H1][Branch1][P][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][C][Ring1][#C][C][Ring2][Ring1][#Branch1]
|
C12%12CCC(CC19)C2.N15CC%11C1.c1%10ccon1.CN4C.C45=O.C6%11=O.C7%10=O.N68.C8%12.N79
|
CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CCN(C(=O)CO)C1
|
CCNC=O)C=CC=CNCCS=O)=O)N=C%106)))))))))))CCCNC=O)CO)))C5
|
[C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Ring1][N][Ring1][Branch2][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][Ring1][=Branch2]
|
C3(=O)C1=CC=CN2CCS(=O)(=O)N=C12.C16CCN4C1.C4(=O)CO.N356.CC5
|
COc1cccc([C@H](CNC(=O)[C@H](C)n2cccn2)NC(=O)C(C)(C)F)c1
|
COccccc[C@H]CNC=O)[C@H]C)ncccn5)))))))))NC=O)CC)C)F)))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][F][=C][Ring2][Ring1][=Branch2]
|
c15cccc9c1.C4(=O)C(C)(C)F.C3(=O)C8C.n18cccn1.C69C7.CO5.N37.N46
|
CCCCCCCC[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1Cc2ccccc2C1
|
CCCCCCCC[C@@H]C)C=O)NCC[C@H]C)NC=O)CCcccccc6C9
|
[C][C][C][C][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2]
|
CCCCCCCCC(C)C3=O.C17Cc2ccccc2C1.C5CC6C.C47=O.N35.N46
|
COC1(CC(=O)N[C@H]2CC[C@H]2CNC(=O)C#CC2CCCC2)CCOCC1
|
COCCC=O)N[C@H]CC[C@H]4CNC=O)C#CCCCCC5)))))))))))))))))CCOCC6
|
[C][O][C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][#C][C][C][C][C][C][Ring1][Branch1][C][C][O][C][C][Ring2][Ring1][=Branch2]
|
C4(=O)C#CC1CCCC1.C158CCOCC1.C17CCC19.C8C3=O.CO5.N37.C69.N46
|
CN(CCCCNC(=O)c1c(C(F)F)cnn1C)C(=O)CN1CCOC1=O
|
CNCCCCNC=O)ccCF)F))cnn5C))))))))))))C=O)CNCCOC5=O
|
[C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=N][N][Ring1][Branch2][C][C][=Branch1][C][=O][C][N][C][C][O][C][Ring1][Branch1][=O]
|
c16c8cnn1C.N17CCOC1=O.C4CCC5.C3(=O)C7.CN34.C26=O.C8(F)F.N25
|
CC1=CC(C)=NS(=O)(=O)N1CC(=O)N1CCC(NCCN2CCCCCC2)CC1
|
CC=CCC)=NS=O)=O)N6CC=O)NCCCNCCNCCCCCC7))))))))))CC6
|
[C][C][=C][C][Branch1][C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S]
|
CC1=CC(C)=NS(=O)(=O)N14.N13CCC7CC1.N16CCCCCC1.C4C3=O.C5C6.N57
|
CN(CC1CC1)C(=O)[C@@H]1[C@H]2CN(C(=O)C3(Cl)CCC3)C[C@H]21
|
CNCCCC3))))C=O)[C@@H][C@H]CNC=O)CCl)CCC4)))))C[C@H]56
|
[C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][Cl][C][C][C][Ring1][Branch1][C][C@H1][Ring1][N][Ring1][=N]
|
C17C2CN5CC12.C18(Cl)CCC1.CN46.C19CC1.C47=O.C58=O.C69
|
CCNC(=O)CCCC(=O)N1CCO[C@]2(CC[C@H](NC(=O)[C@@H](C)COC)CC2)C1
|
CCNC=O)CCCC=O)NCCO[C@]CC[C@H]NC=O)[C@@H]C)COC))))))CC6)))))C6
|
[C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][=Branch1][C][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][O][C][C][C][Ring1][=C][C][Ring2][Ring1][Ring1]
|
N14CCOC2(CCC8CC2)C1.C3(=O)CCCC4=O.C5(=O)C(C)C6.CC7.N37.N58.O6C
|
CCOCOc1cnccc1-c1nccc(Cl)c1C(=O)OCC
|
CCOCOccnccc6-cncccCl)c6C=O)OCC
|
[C][C][O][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C]
|
c17nccc(Cl)c16.c15cnccc17.O3CO5.C26=O.CC3.O24.C4C
|
C[C@H]1CN(C(=O)CC2(C#N)CC2)CCN1C(=O)C1(CF)CCC1
|
C[C@H]CNC=O)CCC#N))CC3)))))CCN6C=O)CCF))CCC4
|
[C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][C][Branch1][Ring1][C][F][C][C][C][Ring1][=Branch1]
|
CC1CN3CCN14.C16(C#N)CC1.C157CCC1.C3(=O)C6.C45=O.C7F
|
CCc1nc(C(=O)N[C@@H]2CN(C(=O)c3ccc(C)cc3Br)CC[C@H]2C)co1
|
CCcncC=O)N[C@@H]CNC=O)ccccC)cc6Br))))))))CC[C@H]6C)))))))))co5
|
[C][C][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br][C][C][C@H1][Ring1][S][C][=C][O][Ring2][Ring1][=Branch2]
|
C16CN5CCC1C.c18ccc(C)cc1Br.c19nc7co1.C47=O.C58=O.CC9.N46
|
C[C@H]1[C@@H](C)N([C@@H](C(=O)NC2CCC2)c2cn3cc(F)ccc3n2)CC[S@]1=O
|
C[C@H][C@@H]C)N[C@@H]C=O)NCCCC4))))))ccnccF)ccc6n9))))))))))CC[S@]6=O
|
[C][C@H1][C@@H1][Branch1][C][C][N][Branch2][Ring1][#C][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][C][=C][N][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][C][S@][Ring2][Ring1][=Branch2][=O]
|
c17cn2cc(F)ccc2n1.CC1C(C)N5CCS1=O.C57C4=O.C16CCC1.N46
|
CCn1cc([C@@H](NCC2(C(C)(C)OC)CC2)c2nnnn2C)cn1
|
CCncc[C@@H]NCCCC)C)OC)))CC3)))))cnnnn5C)))))))cn5
|
[C][C][N][C][=C][Branch2][Ring1][#C][C@@H1][Branch2][Ring1][Ring1][N][C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][C][C][Ring1][Branch2][C][=N][N][=N][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][=Branch1]
|
n16cc%10cn1.c17nnnn1C.C189CC1.C39(C)C.C47%10.CC6.N45.C58.O3C
|
CC(C)C[C@@H](CC(=O)NCC[C@H]1OCCC1(C)C)NC(=O)C1CC2(CSC2)C1
|
CCC)C[C@@H]CC=O)NCC[C@H]OCCC5C)C)))))))))))NC=O)CCCCSC4)))C4
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C@H1][O][C][C][C][Ring1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][S][C][Ring1][Ring2][C][Ring1][#Branch1]
|
CC(C)CC5CC3=O.C18OCCC1(C)C.C17CC2(CSC2)C1.C6C8.C47=O.N36.N45
|
CC=C[C@@H](O)C(=O)NC[C@@]1(C)CN(C(=O)c2cnc(C3CCC3)s2)CCO1
|
CC=C[C@@H]O)C=O)NC[C@@]C)CNC=O)ccncCCCC4))))s5))))))CCO6
|
[C][C][=C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][Ring1][=Branch2][C][C][O][Ring2][Ring1][C]
|
C19(C)CN5CCO1.C=8C(O)C4=O.c17cnc%10s1.C1%10CCC1.C57=O.CC=8.N46.C69
|
O=C(C[C@H]1Cc2ccccc2NC1=O)Nc1ccnn1[C@@H]1CCCNC1
|
O=CC[C@H]Ccccccc6NC%10=O))))))))))))Ncccnn5[C@@H]CCCNC6
|
[O][=C][Branch1][P][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][=C][C][=N][N][Ring1][Branch1][C@@H1][C][C][C][N][C][Ring1][=Branch1]
|
C15Cc2ccccc2NC1=O.c14ccnn16.C16CCCNC1.O=C3C5.N34
|
Cc1cncc2nc(CC(=O)N[C@H](C)CC3CN(C(=O)c4c[nH]c(=N)o4)C3)cn12
|
CccnccncCC=O)N[C@H]C)CCCNC=O)cc[nH]c=N)o5))))))C4)))))))))cn95
|
[C][C][=C][N][=C][C][=N][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=N][O][Ring1][=Branch1][C][Ring1][N][=C][N][Ring2][Ring1][N][Ring2][Ring1][Branch2]
|
Cc1cncc2nc9cn12.c18c[nH]c(=N)o1.C1%10CN6C1.C9C5=O.C7(C)C%10.C68=O.N57
|
CCCCOCCNC(=O)C(=O)NCC1(CCNC(=O)[C@@H](C)C(C)(F)F)CC1
|
CCCCOCCNC=O)C=O)NCCCCNC=O)[C@@H]C)CC)F)F)))))))CC3
|
[C][C][C][C][O][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][F][F][C][C][Ring1][=C]
|
C5(=O)C(C)C(C)(F)F.C2(=O)C4=O.CCCC6.C1%113CC1.C7C8.C3C%10.O67.N28.N49.C9%11.N5%10
|
C=C1C[C@@H](C(=O)Nc2nnc(C)o2)N(C(=O)c2cc(Br)ccc2C#N)C1
|
C=CC[C@@H]C=O)NcnncC)o5)))))))NC=O)cccBr)ccc6C#N)))))))))C5
|
[C][=C][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][#N][C][Ring2][Ring1][=Branch2]
|
c17cc(Br)ccc1C#N.C=C1CC6N4C1.c15nnc(C)o1.C36=O.C47=O.N35
|
N#Cc1cc(F)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2Br)cc1F
|
N#CcccF)cNC=O)ccc[N+]=O)[O-]))cF)cc6Br)))))))))cc6F
|
[N][#C][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Br][C][=C][Ring2][Ring1][Branch1][F]
|
c15cc([N+](=O)[O-])c(F)cc1Br.N#Cc1cc(F)c4cc1F.C35=O.N34
|
CC1(C)OCC(NC(=O)NNc2ccc(C(F)(F)F)c(Cl)c2)CO1
|
CCC)OCCNC=O)NNccccCF)F)F))cCl)c6))))))))))CO6
|
[C][C][Branch1][C][C][O][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][O][C][O][Ring2][Ring1][#Branch1]
|
C3(=O)NNc1ccc5c(Cl)c1.CC1(C)OCC4CO1.C5(F)(F)F.N34
|
CCc1ccc(F)cc1C(=O)NCC1(F)CC(NC(=O)C2C=CC=CC=C2)C1
|
CCccccF)cc6C=O)NCCF)CCNC=O)CC=CC=CC=C7)))))))))C4
|
[C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][#Branch1][C][Ring1][#C]
|
c1%10ccc(F)cc18.C17C=CC=CC=C1.C19(F)CC6C1.C38=O.C47=O.CC%10.N35.C59.N46
|
CC(C)C[C@@H](CNC(=O)[C@@]12CC[C@@H](CO1)C2)NC(=O)CCCc1csc(=N)[nH]1
|
CCC)C[C@@H]CNC=O)[C@@]CC[C@@H]CO6))C5))))))))NC=O)CCCccsc=N)[nH]5
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@][C][C][C@@H1][Branch1][Branch1][C][O][Ring1][=Branch1][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1]
|
CC(C)CC5C6.C127CCC(CO1)C2.C4(=O)CCC8.c18csc(=N)[nH]1.C37=O.N36.N45
|
CN1C[C@H](O)C[C@@]1(C)C(=O)N1CC(CNC(=O)c2cc(C(F)F)nn2C)C1
|
CNC[C@H]O)C[C@@]5C)C=O)NCCCNC=O)cccCF)F))nn5C)))))))))C4
|
[C][N][C][C@H1][Branch1][C][O][C][C@@][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][N][Ring1][Branch2][C][C][Ring1][P]
|
CN1CC(O)CC16C.c17cc8nn1C.N13CC9C1.C36=O.C47=O.C8(F)F.C59.N45
|
NC1(C(=O)NC2=CC3=C(C=N2)OCCO3)CC(C2CCC2)C1
|
NCC=O)NC=CC=CC=N6))OCCO6))))))))))CCCCCC4))))C4
|
[N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][O][C][C][O][Ring1][Branch2][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Branch1]
|
c15cc2c(cn1)OCCO2.NC16CC(C2CCC2)C1.C46=O.N45
|
C[C@H](CCNC(=O)c1ccc(Br)c(O)c1)NC(=O)C1(CCO)CC1
|
C[C@H]CCNC=O)ccccBr)cO)c6))))))))))NC=O)CCCO)))CC3
|
[C][C@H1][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch1]
|
c17ccc(Br)c(O)c1.CC4CC5.C168CC1.C27=O.C36=O.C8CO.N25.N34
|
CCn1ccc(C(=O)NCc2c[nH]nc2C(=O)N2CC(N(C)C3CC3)C2)c1C
|
CCncccC=O)NCcc[nH]nc5C=O)NCCNC)CCC3))))C4)))))))))))))c5C
|
[C][C][N][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch2][C]
|
n1%11ccc%10c1C.c1%12c[nH]nc19.N15CC7C1.C4%10=O.C59=O.N78C.C18CC1.CC%11.N46.C6%12
|
C#CC[C@H](NC(=O)[C@H]1C=CCCN1C(=O)[C@H](C)CC#N)C(=O)OCC
|
C#CC[C@H]NC=O)[C@H]C=CCCN6C=O)[C@H]C)CC#N)))))))))))))C=O)OCC
|
[C][#C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][#N][C][=Branch1][C][=O][O][C][C]
|
C#CCC6C2=O.C17C=CCCN14.C4(=O)C(C)CC#N.C37=O.N36.O25.C5C
|
CCN(CC)[C@@H](C(=O)N1CC(CC2CCC2)C1)C(C)C
|
CCNCC))[C@@H]C=O)NCCCCCCC4)))))C4)))))CC)C
|
[C][C][N][Branch1][Ring1][C][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][C][Branch1][C][C][C]
|
C6(C3=O)C(C)C.N13CC7C1.C18CCC1.N456.CC4.C5C.C78
|
CCCCOCC(=O)N1CCN(C(=O)C=Cc2ccsc2)C[C@H]1C(C)C
|
CCCCOCC=O)NCCNC=O)C=Ccccsc5))))))))C[C@H]6CC)C
|
[C][C][C][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][C][C@H1][Ring1][#C][C][Branch1][C][C][C]
|
N13CCN4CC18.C=7c1ccsc1.CCCC5.C6C3=O.C4(=O)C=7.C8(C)C.O56
|
COC[C@@](C)(O)C(=O)N1C[C@H](C)[C@@H](CC(=O)N2CC[C@H]3CN(C)CC[C@H]32)C1
|
COC[C@@]C)O)C=O)NC[C@H]C)[C@@H]CC=O)NCC[C@H]CNC)CC[C@H]69)))))))))))C5
|
[C][O][C][C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
N15CCC2CN(C)CCC21.C6C(C)(O)C4=O.N14CC7C(C)C1.C7C5=O.CO6
|
CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)C/C=C/c1ccccc1
|
CCC)[C@H]CNC=O)[C@@H]C[C@H]3CCC3)))))))))NC=O)C/C=C/cccccc6
|
[C][C][Branch1][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C=7c1ccccc1.CC(C)C4C5.C16CC1C1CC1.C3(=O)CC=7.C26=O.N25.N34
|
C=C(C)CC(=O)NC[C@H]1CN(C(=O)CC[C@@H](O)C(C)(C)C)Cc2ccccc21
|
C=CC)CC=O)NC[C@H]CNC=O)CC[C@@H]O)CC)C)C))))))Ccccccc6%10
|
[C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
C5C1CN4Cc2ccccc21.C4(=O)CCC(O)C(C)(C)C.C=C(C)CC3=O.N35
|
CC(=O)N1CCN([C@H](C(=O)NCC(F)F)c2n[nH]cc2C)[C@H](C)C1
|
CC=O)NCCN[C@H]C=O)NCCF)F)))))cn[nH]cc5C)))))))[C@H]C)C6
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][F][C][=N][NH1][C][=C][Ring1][Branch1][C][C@H1][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
N13CCN5C(C)C1.c17n[nH]cc1C.C57C4=O.C6C(F)F.CC3=O.N46
|
CCC[C@@H](C)CCNC(=O)c1csc2cccc(F)c12
|
CCC[C@@H]C)CCNC=O)ccscccccF)c96
|
[C][C][C][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1]
|
c15csc2cccc(F)c12.CCCC(C)CC4.C35=O.N34
|
Cc1ccoc1CC(=O)NC[C@H]1CC(C)(C)CN1C(=O)[C@H](C)C(F)(F)F
|
Ccccoc5CC=O)NC[C@H]CCC)C)CN5C=O)[C@H]C)CF)F)F
|
[C][C][C][=C][O][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
C15CC(C)(C)CN13.C3(=O)C(C)C(F)(F)F.Cc1ccoc16.C6C2=O.N24.C45
|
CC(C)(C)[C@@H](CO)NC(=O)[C@]1(C)CCCN(C(=O)c2snc(Cl)c2Cl)C1
|
CCC)C)[C@@H]CO))NC=O)[C@]C)CCCNC=O)csncCl)c5Cl)))))))C6
|
[C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][S][N][=C][Branch1][C][Cl][C][=Ring1][=Branch1][Cl][C][Ring1][S]
|
C17(C)CCCN4C1.CC(C)(C)C5CO.c16snc(Cl)c1Cl.C37=O.C46=O.N35
|
CN(CCN(C)C(=O)c1cc2c(cc1O)CCC2)C(=O)C[C@H]1CCC(=O)N1
|
CNCCNC)C=O)cccccc6O)))CCC5)))))))))))C=O)C[C@H]CCC=O)N5
|
[C][N][Branch2][Ring1][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][C][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1]
|
c17cc2c(cc1O)CCC2.C18CCC(=O)N1.C4(=O)C8.CN45.C5C6.N36C.C37=O
|
CC[C@@H](F)C(=O)N1CC[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1
|
CC[C@@H]F)C=O)NCC[C@H]NC=O)cccOC))cC)cOC))c6))))))))C5
|
[C][C][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][O][C][Ring2][Ring1][Ring1]
|
c18cc5c(C)c6c1.CCC(F)C3=O.N13CCC7C1.C48=O.N47.O5C.O6C
|
CC(C)(O)[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2ccncc2C2CC2)C1
|
CCC)O)[C@@H]C[C@H]3C=O)N[C@@]C)CCNC=O)cccncc6CCC3))))))))))C5
|
[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][P]
|
C15(C)CCN4C1.c17ccncc19.CC8(C)O.C18CC16.C36=O.C47=O.C19CC1.N35
|
CCCOc1ccc(N[C@@H](c2cscn2)c2nnnn2-c2ccccc2)cc1Cl
|
CCCOccccN[C@@H]ccscn5)))))cnnnn5-cccccc6)))))))))))))cc6Cl
|
[C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C@@H1][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][Cl]
|
c14ccc6cc1Cl.c18nnnn19.c19ccccc1.c17cscn1.CCC3.C578.O34.N56
|
CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2cc(C3CCC3)no2)CC1
|
CNC=O)ccsc[N+]=O)[O-]))c5))))))CCCNC=O)cccCCCC4))))no5))))))CC6
|
[C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][Branch2][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][O][Ring1][=Branch2][C][C][Ring1][P]
|
c18csc([N+](=O)[O-])c1.C16CCN5CC1.c17cc9no1.C19CCC1.CN46.C48=O.C57=O
|
C[C@@H](NC(=O)[C@]1(O)CCOC1(C)C)[C@@H]1C[C@H]1C(=O)NCCc1nccs1
|
C[C@@H]NC=O)[C@]O)CCOC5C)C))))))))[C@@H]C[C@H]3C=O)NCCcnccs5
|
[C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@][Branch1][C][O][C][C][O][C][Ring1][=Branch1][Branch1][C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][S][Ring1][Branch1]
|
C16(O)CCOC1(C)C.c18nccs1.C19CC17.CC49.C26=O.C37=O.C5C8.N24.N35
|
Cc1cnc(NC[C@H](CO)CC(C)C)c(S(=O)(=O)N2CCC(N3CCC3)CC2)c1
|
CccncNC[C@H]CO))CCC)C))))))cS=O)=O)NCCCNCCC4))))CC6)))))))c6
|
[C][C][=C][N][=C][Branch1][=C][N][C][C@H1][Branch1][Ring1][C][O][C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][C][C][Ring1][#Branch2][=C][Ring2][Ring1][N]
|
Cc1cnc6c(S5(=O)=O)c1.C4C(CO)CC(C)C.N15CCC7CC1.N17CCC1.N46
|
C=C1CC[C@H]1C(=O)NCC[C@@H]1C[C@H](OC)CN1C(=O)CCN(C)CCO
|
C=CCC[C@H]4C=O)NCC[C@@H]C[C@H]OC))CN5C=O)CCNC)CCO
|
[C][=C][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@H1][Branch1][Ring1][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][O]
|
C19CC4CN13.C=C1CCC18.C3(=O)CC6.C28=O.C5C9.N67C.C7CO.N25.O4C
|
O=C(Cc1cccc(C(F)F)c1)N1CC(=C(F)CNC(=O)C(F)(F)C2CC2)C1
|
O=CCcccccCF)F))c6)))))))NCC=CF)CNC=O)CF)F)CCC3))))))))C4
|
[O][=C][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2][N][C][C][=Branch2][Ring1][#Branch1][=C][Branch1][C][F][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][Ring1][S]
|
c18cccc9c1.C4(=O)C7(F)F.N13CC=6C1.O=C3C8.C=6(F)C5.C9(F)F.C17CC1.N45
|
O=C(Cc1ccsc1)NCC[C@@H]1CN(C(=O)C2(C(F)F)CC2)CCS1(=O)=O
|
O=CCcccsc5))))))NCC[C@@H]CNC=O)CCF)F))CC3))))CCS6=O)=O
|
[O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch1][C][C][S][Ring1][=C][=Branch1][C][=O][=O]
|
C17CN4CCS1(=O)=O.c19ccsc1.O=C3C9.C168CC1.C5C7.C46=O.C8(F)F.N35
|
CO[C@H]1CCN(C(=O)CC[C@@H]2CCCCN(C(=O)CCCN=[N+]=[N-])C2)C1
|
CO[C@H]CCNC=O)CC[C@@H]CCCCNC=O)CCCN=[N+]=[N-])))))))C7))))))))))C5
|
[C][O][C@H1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][C@@H1][C][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][N][=N+1][=N-1][C][Ring1][#C][C][Ring2][Ring1][Branch2]
|
C16CCCCN4C1.C4(=O)CCCN=[N+]=[N-].C15CCN3C1.C3(=O)CC6.CO5
|
Cc1[nH]nc2ccc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)Cc3cnn(C)c3)cc12
|
Cc[nH]nccccC=O)N[C@H]CCCC[C@H]6NC=O)CccnnC)c5))))))))))))))))cc96
|
[C][C][NH1][N][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=Ring2][Ring1][N][Ring2][Ring1][=Branch2]
|
Cc1[nH]nc2ccc8cc12.C16CCCCC17.c19cnn(C)c1.C5(=O)C9.C48=O.N46.N57
|
CCn1ncc(C(=O)NCC(C)(C)C#CC(=O)N2CCC[C@@H](N3CCC3)C2)c1C
|
CCnnccC=O)NCCC)C)C#CC=O)NCCC[C@@H]NCCC4))))C6)))))))))))))c5C
|
[C][C][N][N][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch2][C]
|
C6C(C)(C)C#CC5=O.n19ncc8c1C.N15CCCC7C1.N17CCC1.C48=O.CC9.N46
|
COCCC(=O)N1C[C@@H](NC(=O)c2ccc(I)c(OC)c2)[C@H](C#N)C1
|
COCCC=O)NC[C@@H]NC=O)ccccI)cOC))c6))))))))[C@H]C#N))C5
|
[C][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C@H1][Branch1][Ring1][C][#N][C][Ring2][Ring1][Ring1]
|
N13CC7C(C#N)C1.c18ccc(I)c6c1.C5CC3=O.C48=O.CO5.N47.O6C
|
CCC[C@@H](C)[C@H](NCCC(=O)N1CCCCCC1)c1nnnn1CCOC
|
CCC[C@@H]C)[C@H]NCCC=O)NCCCCCC7)))))))))))cnnnn5CCOC
|
[C][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][P][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][O][C]
|
CCCC(C)C47.N12CCCCCC1.c17nnnn16.C5CC2=O.C6C3.N45.O3C
|
C=C[C@@H](C)[C@H](C)C(=O)N1CCC2(CCN(C(=O)CCN(C)CCCCC)C2)CC1
|
C=C[C@@H]C)[C@H]C)C=O)NCCCCCNC=O)CCNC)CCCCC)))))))))C5))))CC6
|
[C][=C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][S][C][C][Ring2][Ring1][Branch1]
|
N13CCC2(CC1)CCN4C2.C=CC(C)C(C)C3=O.C4(=O)CC5.C6CCCC.N56C
|
C[C@@H](C#N)C(=O)NCC#CCNC(=O)[C@@]1(C)CCCS1
|
C[C@@H]C#N))C=O)NCC#CCNC=O)[C@@]C)CCCS5
|
[C][C@@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][#C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][S][Ring1][=Branch1]
|
CC(C#N)C2=O.C16(C)CCCS1.C4C#CC5.C36=O.N24.N35
|
CCCCC[C@@H](O)CC(=O)NCCCCNC(=O)c1ccnc(O[C@@H](C)CC)c1
|
CCCCC[C@@H]O)CC=O)NCCCCNC=O)cccncO[C@@H]C)CC))))c6
|
[C][C][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C@@H1][Branch1][C][C][C][C][=C][Ring1][O]
|
CCCCCC(O)CC2=O.c18ccnc5c1.C6CCC7.C4(C)CC.C38=O.N26.N37.O45
|
CO[C@H](F)C(=O)NC[C@H]1CCCN(C(=O)CCN2C(=O)COc3ccccc32)C1
|
CO[C@H]F)C=O)NC[C@H]CCCNC=O)CCNC=O)COcccccc6%10)))))))))))))C6
|
[C][O][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Ring2][Ring1][Branch1]
|
C5(=O)CCN1C(=O)COc2ccccc21.C18CCCN5C1.C6(F)C4=O.CO6.N47.C78
|
COc1c(C(=O)N2CCC[C@H](CCNC(=O)Cc3ccsc3)CC2)ccnc1Cl
|
COccC=O)NCCC[C@H]CCNC=O)Ccccsc5))))))))))CC7))))))))ccnc6Cl
|
[C][O][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring2][Ring1][C][C][=C][N][=C][Ring2][Ring1][#Branch2][Cl]
|
c16c8ccnc1Cl.N14CCCC9CC1.c1%10ccsc1.C5(=O)C%10.C48=O.C9C7.CO6.N57
|
COc1ccc(Br)c(CN2CCN(C(=O)c3ccc(O)cc3O)[C@@H](C)C2)c1F
|
COccccBr)cCNCCNC=O)ccccO)cc6O))))))))[C@@H]C)C6)))))))c6F
|
[C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][#C][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@@H1][Branch1][C][C][C][Ring1][P][=C][Ring2][Ring1][=Branch2][F]
|
c15ccc(Br)c8c1F.N16CCN4C(C)C1.c17ccc(O)cc1O.C47=O.CO5.C68
|
CCCc1nc(C)c(C(=O)N[C@@]23CCN(C(=O)C4=NOC5(CCC5)C4)C[C@H]2C3)o1
|
CCCcncC)cC=O)N[C@@]CCNC=O)C=NOCCCC4)))C5))))))C[C@H]6C7)))))))))o5
|
[C][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C][C@H1][Ring1][S][C][Ring1][P][O][Ring2][Ring1][#Branch2]
|
C7(=O)C1=NOC2(CCC2)C1.C128CCN7CC1C2.c1%10nc(C)c9o1.CCC%10.C69=O.N68
|
CCSc1ccccc1CC(=O)NC[C@H]1CCN1C(=O)c1coc(O)n1
|
CCScccccc6CC=O)NC[C@H]CCN4C=O)ccocO)n5
|
[C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][O][=N][Ring1][=Branch1]
|
c19ccccc18.c16coc(O)n1.C17CCN13.C8C2=O.C36=O.CC5.S59.N24.C47
|
C#CC[C@](C)(CC)C(=O)N1CCCC[C@@H](C(=O)N2CC(n3cccn3)C2)C1
|
C#CC[C@]C)CC))C=O)NCCCC[C@@H]C=O)NCCncccn5)))))C4)))))C7
|
[C][#C][C][C@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
C#CCC(C)(CC)C4=O.N14CCCCC6C1.N15CC7C1.n17cccn1.C56=O
|
CC(C)[C@@H](CO)CNC(=O)CCOC1CN(C(=O)[C@@H](C)NC(N)=O)C1
|
CCC)[C@@H]CO))CNC=O)CCOCCNC=O)[C@@H]C)NCN)=O)))))C4
|
[C][C][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][Branch1][C][N][=O][C][Ring1][N]
|
CC(C)C(C7)CO.C2(=O)CC5.C16CN3C1.C3(=O)C8C.C4(N)=O.N27.O56.N48
|
Cc1nc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)ncc1F
|
CcncNC[C@@H]OC[C@H]CO))O[C@H]6C9)))))))))ncc6F
|
[C][C][=N][C][Branch2][Ring1][C][N][C][C@@H1][O][C][C@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][C][Ring1][O][=N][C][=C][Ring1][P][F]
|
N14CC2OCC5OC2C1.Cc1nc4ncc1F.C5O
|
Cc1ccc(CC(=O)NCC[C@H]2C[C@H](NC(=O)[C@H](C)O[C@H]3CCOC3)C2)cc1F
|
CccccCC=O)NCC[C@H]C[C@H]NC=O)[C@H]C)O[C@H]CCOC5)))))))))C4)))))))))cc6F
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C@H1][C][C][O][C][Ring1][Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][O][F]
|
Cc1ccc%11cc1F.C1%10CC9C1.C5(=O)C6C.C17CCOC1.C%11C4=O.C8C%10.N48.N59.O67
|
Cc1scnc1C(=O)N(C)[C@H]1CC[C@@H](NC(=O)c2ccn3nccc3c2)C1
|
Ccscnc5C=O)NC)[C@H]CC[C@@H]NC=O)cccnnccc5c9)))))))))))C5
|
[C][C][S][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][N][=C][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][Ring1][P]
|
c19ccn2nccc2c1.Cc1scnc18.C16CCC7C1.C48=O.N46C.C59=O.N57
|
CCN(C(=O)c1ccc(C)cc1C)[C@@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1
|
CCNC=O)ccccC)cc6C))))))))[C@@H]CCCNC=O)[C@H]CCCC5C)C)))))))CC7
|
[C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C@@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][C][Ring1][S]
|
c18ccc(C)cc1C.C16CCCN4CC1.C17CCCC1(C)C.N356.C38=O.C47=O.CC5
|
C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC=CCCC1)C1(O)CCC1)c1ncc(F)cn1
|
C[C@H]NC=O)[C@@H]NC=O)[C@@H]CCC=CCCC8))))))))))CO)CCC4)))))))cnccF)cn6
|
[C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][C][C][=C][C][C][C][Ring1][Branch2][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1]
|
C16CCC=CCCC1.c17ncc(F)cn1.C2(=O)C58.C18(O)CCC1.CC47.C36=O.N24.N35
|
C=C[C@H]1OCC[C@@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)c1c[nH]c2nccc-2c1
|
C=C[C@H]OCC[C@@H]5C=O)NCCC)C)C[C@H]5CNC=O)cc[nH]cnccc-5c9
|
[C][=C][C@H1][O][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
c17c[nH]c2nccc-2c1.N13CC(C)(C)CC18.C=CC1OCCC16.C36=O.C47=O.C58.N45
|
N#C[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2noc3c(F)cccc23)C1)C1CC1
|
N#C[C@H]C=O)N[C@@]CO))CCCNC=O)cnoccF)cccc96))))))))))C6))))))))CCC3
|
[N][#C][C@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@@][Branch1][Ring1][C][O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=N][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1]
|
c17noc2c(F)cccc12.C169CCCN5C1.N#CC8C4=O.C57=O.C18CC1.N46.C9O
|
Cc1sc(O)nc1C(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cnn[nH]2)C1
|
CcscO)nc5C=O)NCCC[C@H]C=O)N[C@H]C)ccnn[nH]5))))))))C6
|
[C][C][S][C][Branch1][C][O][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][N][=N][NH1][Ring1][Branch1][C][Ring1][S]
|
Cc1sc(O)nc16.N13CCCC7C1.c18cnn[nH]1.C36=O.C47=O.C58C.N45
|