SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCN(C(=O)[C@H]1C[C@@H](O)CN1C)[C@H](C)CNC(=O)COc1ccc(F)cc1
|
CCNC=O)[C@H]C[C@@H]O)CN5C)))))))[C@H]C)CNC=O)COccccF)cc6
|
[C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
[C@H]19C[C@@H](O)CN1C.c15ccc(F)cc1.[C@@H]7(C)C8.C3(=O)C4.N267.C29=O.CC6.N38.O45
|
CN(C[C@H](Cc1ccccc1)NC(=O)C1CC=CC1)C(=O)C#C[C@H]1CCOC1
|
CNC[C@H]Ccccccc6)))))))NC=O)CCC=CC5)))))))))C=O)C#C[C@H]CCOC5
|
[C][N][Branch2][Ring1][#Branch2][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][=Branch1][C][=O][C][#C][C@H1][C][C][O][C][Ring1][Branch1]
|
C3(=O)C#C[C@H]1CCOC1.c17ccccc1.C4[C@@H]5C7.C16CC=CC1.CN34.C26=O.N25
|
CCN(C(=O)c1cc2nc(C)sc2[nH]1)[C@H]1CCN(C(=O)[C@]2(F)CC=CCC2)C1
|
CCNC=O)cccncC)sc5[nH]8)))))))))[C@H]CCNC=O)[C@]F)CC=CCC6)))))))C5
|
[C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][NH1][Ring1][=Branch2][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@][Branch1][C][F][C][C][=C][C][C][Ring1][#Branch1][C][Ring1][=C]
|
c17cc2nc(C)sc2[nH]1.[C@@]18(F)CC=CCC1.[C@H]16CCN4C1.N356.C37=O.C48=O.CC5
|
CC[C@H](C)c1ccc(NC(=O)CCC(=O)c2cc(Br)ccc2OC)cn1
|
CC[C@H]C)ccccNC=O)CCC=O)cccBr)ccc6OC)))))))))))))cn6
|
[C][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=N][Ring2][Ring1][=Branch1]
|
c16cc(Br)ccc14.c17ccc5cn1.C3(=O)CCC6=O.CC[C@@H]7C.N35.O4C
|
COC[C@H](C)CC(=O)N[C@H](C)CNC(=O)C1(n2ccnc2)CCCC1
|
COC[C@H]C)CC=O)N[C@H]C)CNC=O)Cnccnc5)))))CCCC5
|
[C][O][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][C][C][Ring1][#Branch2]
|
C5[C@H](C)CC3=O.C189CCCC1.n19ccnc1.[C@@H]6(C)C7.C48=O.CO5.N36.N47
|
Cc1cc(NC(=O)[C@@H]2COCC[C@@H]2NC(=O)Cc2cc[nH]c2)ccc1Cl
|
CcccNC=O)[C@@H]COCC[C@@H]6NC=O)Cccc[nH]c5))))))))))))))))ccc6Cl
|
[C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][NH1][C][=Ring1][Branch1][=C][C][=C][Ring2][Ring1][Branch2][Cl]
|
Cc1cc5ccc1Cl.[C@@H]17COCC[C@@H]16.c18cc[nH]c1.C4(=O)C8.C37=O.N35.N46
|
C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C[C@@H]2CCCC(=O)N2)C3)CC1
|
C=CCCCC=O)N[C@@H]CC[C@H]5[C@@H]C[C@]3NC=O)C[C@@H]CCCC=O)N6)))))))))C8))))))))))CC6
|
[C][=C][C][C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][N]
|
N14[C@@H]2CC[C@H]1[C@@H]1C[C@]16C2.C=C1CCC7CC1.[C@@H]18CCCC(=O)N1.C5(=O)C8.C47=O.N56
|
O=C(c1ccc2ncnn2c1)N1CCN(c2cncs2)CC1
|
O=Cccccncnn5c9)))))))))NCCNccncs5)))))CC6
|
[O][=C][Branch1][=C][C][C][=C][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][N][Branch1][Branch2][C][=C][N][=C][S][Ring1][Branch1][C][C][Ring1][O]
|
c15ccc2ncnn2c1.N13CCN4CC1.c14cncs1.O=C35
|
CO[C@@]1(C(=O)N[C@H](CNC(=O)C=CC=C(Cl)Cl)Cc2ccccc2)CCCOC1
|
CO[C@@]C=O)N[C@H]CNC=O)C=CC=CCl)Cl))))))))Ccccccc6))))))))))CCCOC6
|
[C][O][C@@][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][C][Ring2][Ring1][O]
|
[C@]158CCCOC1.c1%10ccccc1.[C@@H]6(C7)C%10.C=9C=C(Cl)Cl.C4(=O)C=9.C38=O.CO5.N36.N47
|
CC[C@H](NC(=O)c1ccco1)C(=O)N(C)C[C@@H](C)NC(=O)C(C1CC1)C1CC1
|
CC[C@H]NC=O)cccco5)))))))C=O)NC)C[C@@H]C)NC=O)CCCC3)))CCC3
|
[C][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
CC[C@H]5C3=O.c18ccco1.C4(=O)C9%10.C6[C@H]7C.C28=O.N36C.C19CC1.C1%10CC1.N25.N47
|
Cc1ccncc1C=CC(=O)N1CCC[C@H](NC(=O)C[C@H]2CCC[C@H]2C)CC1
|
Ccccncc6C=CC=O)NCCC[C@H]NC=O)C[C@H]CCC[C@H]5C)))))))))CC7
|
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][C][C][Ring1][P]
|
Cc1ccncc1C=6.N13CCC[C@H]5CC1.[C@H]17CCC[C@H]1C.C=6C3=O.C4(=O)C7.N45
|
CC[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1cccc(C)c1
|
CC[C@H][C@@H]NC=O)ccccC#N))[nH]5)))))))CCCN6C=O)CcccccC)c6
|
[C][C][C@H1][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][NH1][Ring1][#Branch1][C][C][C][N][Ring1][S][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
|
[C@H]17[C@@H]5CCCN14.c16ccc(C#N)[nH]1.c18cccc(C)c1.C4(=O)C8.C36=O.CC7.N35
|
C[C@@H](CNC(=O)[C@@]1(c2ccc(Cl)cc2)CC1(Cl)Cl)c1ccc(F)cc1F
|
C[C@@H]CNC=O)[C@@]ccccCl)cc6))))))CC3Cl)Cl)))))))ccccF)cc6F
|
[C][C@@H1][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C@@][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][Branch1][C][Cl][Cl][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
c16ccc(F)cc1F.c17ccc(Cl)cc1.[C@]157CC1(Cl)Cl.C[C@H]6C4.C35=O.N34
|
C[C@H](CCNC(=O)c1ccc(F)c(N)c1)N(C)C(=O)C1=CCC1
|
C[C@H]CCNC=O)ccccF)cN)c6))))))))))NC)C=O)C=CCC4
|
[C][C@H1][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][Ring1][Ring2]
|
c16ccc(F)c(N)c1.C3(=O)C1=CCC1.C[C@@H]4CC5.C26=O.N34C.N25
|
CC/C=C/C[C@H](C)C(=O)N(C)[C@@](C)(C(=O)N[C@@H]1CCc2n[nH]cc2C1)C1CC1
|
CC/C=C/C[C@H]C)C=O)NC)[C@@]C)C=O)N[C@@H]CCcn[nH]cc5C9)))))))))))CCC3
|
[C][C][/C][=C][/C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring1][Ring1]
|
[C@@H]16CCc2n[nH]cc2C1.C=7C[C@H](C)C3=O.[C@@]58(C)C4=O.CCC=7.N35C.C18CC1.N46
|
Cn1nnc(C(=O)NC/C=C/CNC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)n1
|
CnnncC=O)NC/C=C/CNC=O)[C@H]C[C@@H]cccccc6))))))OC5=O))))))))))))))n5
|
[C][N][N][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][/C][=C][/C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O][=N][Ring2][Ring1][O]
|
[C@H]19C[C@@H]%11OC1=O.Cn1nnc8n1.c1%11ccccc1.C48=O.C6C=%10.C=%10C7.C59=O.N46.N57
|
CCn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN(C(=O)CSCC(F)(F)F)C[C@H]1C
|
CCnncc[N+]=O)[O-]))c5C=O)NC[C@@H]CNC=O)CSCCF)F)F))))))C[C@H]5C
|
[C][C][N][N][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][S][C][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][=C][C]
|
n18ncc([N+](=O)[O-])c17.[C@@H]19CN3C[C@H]1C.C6C(F)(F)F.C3(=O)C5.C27=O.CC8.N24.C49.S56
|
CCC[C@@H](NC(=O)c1ccn(C)c1)C(=O)Nc1cscc1C
|
CCC[C@@H]NC=O)cccnC)c5)))))))C=O)Nccscc5C
|
[C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][S][C][=C][Ring1][Branch1][C]
|
CCC[C@@H]4C3=O.c16ccn(C)c1.c15cscc1C.C26=O.N24.N35
|
Cc1cc(C)cc(OCC(=O)N[C@H]2CCN(C(=O)C=CCO)C23CCCC3)c1
|
CcccC)ccOCC=O)N[C@H]CCNC=O)C=CCO)))))C5CCCC5)))))))))))))c6
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][=C][C][O][C][Ring1][O][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][O]
|
[C@H]18CCN5C12CCCC2.Cc1cc7cc(C)c1.C6C4=O.C5(=O)C=9.C=9CO.O67.N48
|
C[C@@]1(C(=O)N[C@H]2C[C@@H]3[C@H](C2)[C@H]3NC(=O)c2cccc3cccnc23)COCCO1
|
C[C@@]C=O)N[C@H]C[C@@H][C@H]C5)[C@H]3NC=O)ccccccccnc%106)))))))))))))))))))COCCO6
|
[C][C@@][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][O][C][C][O][Ring2][Ring1][N]
|
c19cccc2cccnc12.C[C@@]18COCCO1.[C@@H]16C[C@@H]2[C@@H]7[C@@H]2C1.C48=O.C59=O.N46.N57
|
COCCNC(=O)[C@H](c1nc(C#N)cs1)N1CCN(CC(F)(F)F)[C@H](C)C1
|
COCCNC=O)[C@H]cncC#N))cs5)))))NCCNCCF)F)F)))[C@H]C)C6
|
[C][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][N][C][=N][C][Branch1][Ring1][C][#N][=C][S][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C@H1][Branch1][C][C][C][Ring1][N]
|
N15CCN6[C@H](C)C1.c17nc(C#N)cs1.C2(=O)[C@@H]57.C6C(F)(F)F.C3C4.CO3.N24
|
CC[C@H](CNC(=O)C(F)(F)CC)NC(=O)Cc1ccnn1C
|
CC[C@H]CNC=O)CF)F)CC))))))NC=O)Ccccnn5C
|
[C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][Ring1][Branch1][C]
|
C2(=O)C(F)(F)CC.c16ccnn1C.CC[C@@H]4C5.C3(=O)C6.N25.N34
|
CCc1occ(C)c1C(=O)N1CC[C@]2(NC(=O)C3CN(C(C)=O)C3)C[C@H]2C1
|
CCcoccC)c5C=O)NCC[C@]NC=O)CCNCC)=O))C4))))))C[C@H]3C7
|
[C][C][C][O][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#Branch1][C][C@H1][Ring1][=N][C][Ring1][P]
|
N14CC[C@]27C[C@H]2C1.c1%10occ(C)c19.C18CN6C1.C49=O.C58=O.C6(C)=O.CC%10.N57
|
CC(F)(F)C(=O)N[C@@H]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F
|
CCF)F)C=O)N[C@@H]CC[C@H]4CNC=O)CC)C)cccc[N+]=O)[O-]))cc6F
|
[C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F]
|
c17ccc([N+](=O)[O-])cc1F.CC(F)(F)C2=O.C3(=O)C7(C)C.[C@@H]15CC[C@H]16.N25.C46.N34
|
Clc1sccc1CCN=c1[nH]ccc(=NCCCN2CCCC2)[nH]1
|
Clcsccc5CCN=c[nH]ccc=NCCCNCCCC5)))))))))[nH]6
|
[Cl][C][S][C][=C][C][=Ring1][Branch1][C][C][N][=C][NH1][C][=C][C][=Branch1][N][=N][C][C][C][N][C][C][C][C][Ring1][Branch1][NH1][Ring1][#C]
|
C4CN=c1[nH]ccc(=NCCC3)[nH]1.Clc1sccc14.N13CCCC1
|
CCOC1CC2(C1)C[C@@H]2C(=O)N1CC[C@H](C)[C@@H](NC(=O)[C@H](CC)C(C)C)C1
|
CCOCCCC4)C[C@@H]3C=O)NCC[C@H]C)[C@@H]NC=O)[C@H]CC))CC)C)))))C6
|
[C][C][O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][C][Branch1][C][C][C][C][Ring1][S]
|
N13CC[C@H](C)[C@@H]7C1.C4(=O)[C@H](CC)C(C)C.C16CC2(C1)C[C@@H]28.C38=O.CC5.O56.N47
|
COC(=O)C1(NCC(=O)NCc2ccc(F)cc2)CC(F)(F)C1
|
COC=O)CNCC=O)NCccccF)cc6)))))))))))CCF)F)C4
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][Ring1]
|
C158CC(F)(F)C1.c19ccc(F)cc1.C6C4=O.C38=O.CO3.N56.N47.C79
|
CSc1ccsc1C(=O)N1CCC(C)(CN=c2[nH]c(Cl)ncc2C)CC1
|
CScccsc5C=O)NCCCC)CN=c[nH]cCl)ncc6C)))))))))CC6
|
[C][S][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][#C][C][N][=C][NH1][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][C][C][Ring1][P]
|
C5N=c1[nH]c(Cl)ncc1C.N13CCC5(C)CC1.c16ccsc14.C34=O.CS6
|
CSc1ccc(C(=O)NC2CC(C)(CNC(=O)c3ccsn3)C2)o1
|
CSccccC=O)NCCCC)CNC=O)cccsn5))))))))C4))))))o5
|
[C][S][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][=C][S][N][=Ring1][Branch1][C][Ring1][=C][O][Ring2][Ring1][=Branch1]
|
c1%11ccc8o1.C17CC%10(C)C1.c19ccsn1.C48=O.C59=O.CS%11.N47.C6%10.N56
|
CCC[C@@H](NC(=O)C[C@@H](C)C(C)(C)NC(=O)C1=CCCCO1)C(=O)N(C)C
|
CCC[C@@H]NC=O)C[C@@H]C)CC)C)NC=O)C=CCCCO6)))))))))))))C=O)NC)C
|
[C][C][C][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
C2(=O)C[C@@H](C)C6(C)C.C3(=O)C1=CCCCO1.CCC[C@@H]5C4=O.N4(C)C.N25.N36
|
Cc1cc(CNC(=O)[C@@H]2CNC(=O)O2)oc1C(=O)NCCN1CC[C@@H](C)C1
|
CcccCNC=O)[C@@H]CNC=O)O5))))))))oc5C=O)NCCNCC[C@@H]C)C5
|
[C][C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][O][Ring1][=Branch1][O][C][=Ring1][#C][C][=Branch1][C][=O][N][C][C][N][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch1]
|
Cc1cc%10oc19.[C@@H]18CNC(=O)O1.N17CC[C@@H](C)C1.C38=O.C49=O.C6C7.C5%10.N35.N46
|
CCC(F)(F)C(C)(C)NC(=O)C[C@H]1[C@H]2CCC[C@H]2N1C(=O)c1c[nH]cc1C
|
CCCF)F)CC)C)NC=O)C[C@H][C@H]CCC[C@H]5N7C=O)cc[nH]cc5C
|
[C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][C@H1][C][C][C][C@H1][Ring1][Branch1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][NH1][C][=C][Ring1][Branch1][C]
|
CCC(F)(F)C5(C)C.[C@H]17[C@H]2CCC[C@H]2N14.c16c[nH]cc1C.C3(=O)C7.C46=O.N35
|
CCCCN1CCCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)c2cncc(O)c2)C1
|
CCCCNCCCC[C@@H]6C=O)NCCC[C@H]NC=O)ccnccO)c6))))))))C6
|
[C][C][C][C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][S]
|
N15CCCC[C@@H]17.N13CCC[C@H]6C1.c18cncc(O)c1.CCCC5.C37=O.C48=O.N46
|
CC[C@@H](C(=O)N1CC=C(C(C)(C)C(=O)NC[C@H]2CCCSC2)C1)C(F)(F)F
|
CC[C@@H]C=O)NCC=CCC)C)C=O)NC[C@H]CCCSC6))))))))))C5))))))CF)F)F
|
[C][C][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][S][C][Ring1][=Branch1][C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F]
|
N13CC=C(C(C)(C)C4=O)C1.CC[C@@H](C3=O)C(F)(F)F.[C@H]16CCCSC1.N45.C56
|
CC(C)(CF)C(=O)N[C@H]1CCC2(CCN(C(=O)C(C)(C)c3cscn3)CC2)C1
|
CCC)CF))C=O)N[C@H]CCCCCNC=O)CC)C)ccscn5)))))))CC6)))))C5
|
[C][C][Branch1][C][C][Branch1][Ring1][C][F][C][=Branch1][C][=O][N][C@H1][C][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
[C@H]16CCC2(CCN5CC2)C1.CC(C)(CF)C4=O.C5(=O)C7(C)C.c17cscn1.N46
|
O=C(NC1([C@H]2CCCN2C(=O)[C@H]2CCC[C@H]2F)CC1)[C@@H]1CCn2nncc2C1
|
O=CNC[C@H]CCCN5C=O)[C@H]CCC[C@H]5F))))))))))))CC3))))[C@@H]CCnnncc5C9
|
[O][=C][Branch2][Ring1][=N][N][C][Branch2][Ring1][Ring2][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][C@H1][Ring1][Branch1][F][C][C][Ring1][S][C@@H1][C][C][N][N][=N][C][=C][Ring1][Branch1][C][Ring1][=Branch2]
|
[C@@H]16CCn2nncc2C1.[C@H]18CCCN14.[C@H]17CCC[C@H]1F.C158CC1.O=C36.C47=O.N35
|
C=CCC(CC=C)C(=O)N1CCC(CO)(NC(=O)C#CC2CCCCC2)CC1
|
C=CCCCC=C)))C=O)NCCCCO))NC=O)C#CCCCCCC6))))))))))CC6
|
[C][=C][C][C][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][Branch1][S][N][C][=Branch1][C][=O][C][#C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
C4(=O)C#CC1CCCCC1.C=CCC(CC=C)C3=O.N13CCC56CC1.C6O.N45
|
CCCCN(CCCC)C(=O)c1csc(-c2cc(C)cc(C)c2OC)n1
|
CCCCNCCCC))))C=O)ccsc-cccC)ccC)c6OC))))))))n5
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=N][Ring1][#C]
|
c18cc(C)cc(C)c14.c17csc8n1.CCCC5.C6CCC.N356.C37=O.O4C
|
CCOc1n[nH]cc1C(=O)N1CCCC[C@H](N(C)C(=O)C2CN(C(C)C)C2)C1
|
CCOcn[nH]cc5C=O)NCCCC[C@H]NC)C=O)CCNCC)C))C4))))))C7
|
[C][C][O][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
N13CCCC[C@H]8C1.c16n[nH]cc1%10.C19CN7C1.C3%10=O.N48C.C49=O.C7(C)C.CC5.O56
|
CCC[C@H](C)C(=O)N1C[C@H](NC(=O)[C@@H]2CC(=O)c3ccccc3O2)C[C@@H]1C
|
CCC[C@H]C)C=O)NC[C@H]NC=O)[C@@H]CC=O)cccccc6O%10))))))))))))C[C@@H]5C
|
[C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C@@H1][Ring2][Ring1][Ring1][C]
|
[C@@H]17CC(=O)c2ccccc2O1.CCC[C@H](C)C4=O.N14C[C@H]6C[C@@H]1C.C57=O.N56
|
CCCCCOCC(=O)N1CCC[C@H]1CN(C)C(=O)C[C@@H]1CCCOC1
|
CCCCCOCC=O)NCCC[C@H]5CNC)C=O)C[C@@H]CCCOC6
|
[C][C][C][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][C][C][C][O][C][Ring1][=Branch1]
|
N12CCC[C@H]17.[C@@H]18CCCOC1.CCCCC4.C5C2=O.C3(=O)C8.N36C.O45.C67
|
CCC(C)=C(C)C(=O)N1C[C@H]2CC(NC(=O)c3ccc(-c4ccco4)s3)C[C@@H]2C1
|
CCCC)=CC)C=O)NC[C@H]CCNC=O)cccc-cccco5)))))s5)))))))C[C@@H]5C8
|
[C][C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2][C][C@@H1][Ring2][Ring1][C][C][Ring2][Ring1][Branch1]
|
N15C[C@H]2CC7C[C@@H]2C1.c18ccc%10s1.C=9(C)C5=O.c1%10ccco1.CCC=9C.C68=O.N67
|
CCOC(=O)[C@H](C)NC(=O)[C@](C)(C1CC1)N(C)C(=O)[C@@H]1CCC[C@@H](C)CC1
|
CCOC=O)[C@H]C)NC=O)[C@]C)CCC3)))NC)C=O)[C@@H]CCC[C@@H]C)CC7
|
[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][C@@H1][Branch1][C][C][C][C][Ring1][Branch2]
|
[C@@H]18CCC[C@@H](C)CC1.C3(=O)[C@@]79C.C2(=O)[C@@H]6C.C19CC1.N47C.C48=O.CC5.O25.N36
|
CCn1nnnc1C1(N[C@H](C)CCc2ccncc2)COC1
|
CCnnnnc5CN[C@H]C)CCcccncc6))))))))))COC4
|
[C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][S][N][C@H1][Branch1][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][C][Ring1][#C]
|
n15nnnc17.c16ccncc1.C137COC1.[C@@H]4(C)CC6.CC5.N34
|
Brc1ccc(-c2ccc(CNCc3csc4nccn34)o2)cc1
|
Brcccc-ccccCNCccscnccn85)))))))))))o5)))))cc6
|
[Br][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][S][C][N][C][C][=C][S][C][=N][C][=C][N][Ring1][Branch2][Ring1][Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1]
|
c18csc2nccn12.Brc1ccc9cc1.c19ccc7o1.C57.N56.C68
|
CNC(=O)CC(C)(C)NC(=O)C[C@@H](C)NC(=O)CN1CCNC(=O)C1
|
CNC=O)CCC)C)NC=O)C[C@@H]C)NC=O)CNCCNC=O)C6
|
[C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1]
|
C2(=O)CC5(C)C.N17CCNC(=O)C1.C3(=O)C[C@H]6C.C4(=O)C7.CN2.N35.N46
|
CCC(CC)n1nccc1C(=O)NC1CN(C(=O)[C@@](O)(C(C)C)C(F)(F)F)C1
|
CCCCC))nnccc5C=O)NCCNC=O)[C@@]O)CC)C))CF)F)F))))C4
|
[C][C][C][Branch1][Ring1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C@@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#C]
|
C3(=O)[C@@](O)(C(C)C)C(F)(F)F.n16nccc15.CCC6CC.C14CN3C1.C25=O.N24
|
C[C@@H](n1nc(-c2ccncc2)nc1-c1cc(F)c(F)c(F)c1)C1(C)CC1
|
C[C@@H]nnc-cccncc6))))))nc5-cccF)cF)cF)c6)))))))))))CC)CC3
|
[C][C@@H1][Branch2][Ring2][Ring1][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][Branch1][C][C][C][C][Ring1][Ring2]
|
c16cc(F)c(F)c(F)c1.n13nc5nc16.c15ccncc1.C14(C)CC1.C[C@@H]34
|
C[C@H]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H]1NC(=O)C1(O)CCOCC1
|
C[C@H]CC[C@H]4CNC=O)[C@@H]CC[C@H]4NC=O)CO)CCOCC6
|
[C][C@H1][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1]
|
C17(O)CCOCC1.C[C@H]1CC[C@H]18.[C@@H]16CC[C@H]15.C26=O.C37=O.C48.N24.N35
|
CCCSCC(=O)NCC[C@@H]1CC[C@H](NC(=O)Cc2cccc(OCC)n2)C1
|
CCCSCC=O)NCC[C@@H]CC[C@H]NC=O)CcccccOCC)))n6)))))))))C5
|
[C][C][C][S][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring2][O][C][C][=N][Ring1][=Branch2][C][Ring2][Ring1][C]
|
c1%12cccc7n1.[C@@H]14CC[C@H]%11C1.C%10C3=O.C5(=O)C%12.CCC9.C8C4.S9%10.N38.N5%11.O67.C6C
|
C=C(C)CNC(=O)[C@@H](c1cc(C)c(Br)s1)N1CCC[C@H](CCO)C1
|
C=CC)CNC=O)[C@@H]cccC)cBr)s5)))))NCCC[C@H]CCO)))C6
|
[C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][S][Ring1][#Branch1][N][C][C][C][C@H1][Branch1][Ring2][C][C][O][C][Ring1][=Branch2]
|
c15cc(C)c(Br)s1.N14CCC[C@H]6C1.C2(=O)[C@H]45.C=C(C)C3.C6CO.N23
|
CCOC(=O)CCC(=O)N[C@]1(C)C[C@@H](NC(=O)c2c(C)coc2C2CC2)C1
|
CCOC=O)CCC=O)N[C@]C)C[C@@H]NC=O)ccC)coc5CCC3))))))))))C4
|
[C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][O][C][=Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][P]
|
C3(=O)CCC4=O.c19c(C)coc1%10.[C@]17(C)C[C@H]8C1.C59=O.C1%10CC1.CC6.O36.N47.N58
|
Cc1nc(C2CC2)ncc1C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1C
|
CcncCCC3)))ncc6C=O)N[C@H]CNC=O)ccccF)cc6)))))))CC[C@H]6C
|
[C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][#C][C]
|
Cc1nc8ncc16.[C@H]15CN4CC[C@H]1C.c17ccc(F)cc1.C18CC1.C36=O.C47=O.N35
|
Cc1nc(O)[nH]c1C(=O)N1C[C@@H](CO)C2(C1)CN(c1nc3ccc(Br)cc3s1)C2
|
CcncO)[nH]c5C=O)NC[C@@H]CO))CC5)CNcnccccBr)cc6s9)))))))))C4
|
[C][C][N][=C][Branch1][C][O][NH1][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][C][O][C][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Ring1][#C]
|
N14C[C@@H]7C2(C1)CN5C2.c15nc2ccc(Br)cc2s1.Cc1nc(O)[nH]c16.C46=O.C7O
|
Cc1c[nH]cc(C(=O)N2C[C@@H]3CC[C@H](CNC(=O)[C@@H]4CC=CC[C@H]4C)[C@H]3C2)c1=O
|
Ccc[nH]ccC=O)NC[C@@H]CC[C@H]CNC=O)[C@@H]CC=CC[C@H]6C))))))))))[C@H]5C8)))))))))c6=O
|
[C][C][=C][NH1][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C@H1][Ring1][=Branch1][C][C@H1][Ring1][S][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][O][=O]
|
N15C[C@@H]2CC[C@H]%10[C@H]2C1.Cc1c[nH]cc9c1=O.[C@@H]18CC=CC[C@H]1C.C59=O.C68=O.C7%10.N67
|
CCN(C(C)=O)[C@H](C(=O)NC[C@@H]1CC2(CCOCC2)CO1)c1ccc(F)c(F)c1
|
CCNCC)=O))[C@H]C=O)NC[C@@H]CCCCOCC6)))))CO5))))))))ccccF)cF)c6
|
[C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
|
[C@@H]18CC2(CCOCC2)CO1.c19ccc(F)c(F)c1.[C@H]69C4=O.N356.C3(C)=O.CC5.N47.C78
|
C[C@@H](Nc1ccc(C(F)(F)F)cn1)C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1
|
C[C@@H]NccccCF)F)F))cn6)))))))C=O)NCCC[C@H]5ccccNC)C))nn6
|
[C][C@@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=N][Ring1][=Branch2]
|
c14ccc6cn1.c17ccc5nn1.N12CCC[C@H]17.C[C@@H]3C2=O.C6(F)(F)F.N5(C)C.N34
|
C[C@H](NC(=O)COc1cccc(Cl)c1)[C@H]1CCCCN1C(=O)CCCC(N)=O
|
C[C@H]NC=O)COcccccCl)c6))))))))))[C@H]CCCCN6C=O)CCCCN)=O
|
[C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][N][=O]
|
C3(=O)CCCC(N)=O.c15cccc(Cl)c1.[C@H]17CCCCN13.C2(=O)C4.C[C@H]67.N26.O45
|
CCc1[nH]ccc1C(=O)N1C[C@@H](NC(=O)C2=C(C)CC(C)(C)CC2)[C@H](OC)C1
|
CCc[nH]ccc5C=O)NC[C@@H]NC=O)C=CC)CCC)C)CC6))))))))[C@H]OC))C5
|
[C][C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][C@H1][Branch1][Ring1][O][C][C][Ring2][Ring1][Ring1]
|
C4(=O)C1=C(C)CC(C)(C)CC1.N13C[C@@H]5[C@H]6C1.c18[nH]ccc17.C37=O.CC8.N46.O5C
|
COCCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccnn1
|
COCCCCNC=O)[C@@H]CccccCl)cc6Cl))))))))NC=O)ccccnn6
|
[C][O][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][C][=C][C][=C][N][=N][Ring1][=Branch1]
|
c18ccc(Cl)cc1Cl.C2(=O)[C@H]6C8.c17cccnn1.C4CCC5.C37=O.CO4.N25.N36
|
OCC1(CNC(=NC[C@H]2CCCO2)NC[C@H]2Cc3ccccc3O2)CC1
|
OCCCNC=NC[C@H]CCCO5)))))))NC[C@H]Ccccccc6O9))))))))))))))CC3
|
[O][C][C][Branch2][Ring1][=C][C][N][C][=Branch1][#Branch2][=N][C][C@H1][C][C][C][O][Ring1][Branch1][N][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2]
|
[C@H]17Cc2ccccc2O1.N4C(=NC6)N5.[C@H]16CCCO1.C189CC1.OC8.C49.C57
|
O=C(NCc1cccc(O)c1F)[C@@H]1CC(F)(F)CS1
|
O=CNCcccccO)c6F)))))))))[C@@H]CCF)F)CS5
|
[O][=C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][S][Ring1][#Branch1]
|
c15cccc(O)c1F.[C@@H]14CC(F)(F)CS1.O=C24.N23.C35
|
Cn1cnc(C(=O)NCC2(O)CN(C[C@@H]3CCc4ncnn43)C2)n1
|
CncncC=O)NCCO)CNC[C@@H]CCcncnn58)))))))))C4)))))))n5
|
[C][N][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch1][=C][C][C@@H1][C][C][C][=N][C][=N][N][Ring1][Branch1][Ring1][Branch2][C][Ring1][=C][=N][Ring2][Ring1][#Branch1]
|
C7[C@@H]1CCc2ncnn21.Cn1cnc8n1.C19(O)CN7C1.C58=O.N56.C69
|
O=C1C[C@H](C(=O)NCc2ncc(Br)s2)[C@H](c2ccc([N+](=O)[O-])cc2)O1
|
O=CC[C@H]C=O)NCcnccBr)s5))))))))[C@H]cccc[N+]=O)[O-]))cc6))))))O5
|
[O][=C][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][=N][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C@H1][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Branch2]
|
c17ccc([N+](=O)[O-])cc1.O=C1C[C@H]5[C@H]7O1.c16ncc(Br)s1.C35=O.N34.C46
|
Cc1sc(C)c2sc(C(=O)N3CCCCC[C@H]3CNC(=O)[C@@H](C)NC(N)=O)cc12
|
CcscC)cscC=O)NCCCCC[C@H]7CNC=O)[C@@H]C)NCN)=O)))))))))))))))cc85
|
[C][C][S][C][Branch1][C][C][=C][S][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][Branch1][C][N][=O][=C][C][=Ring2][Ring1][N][Ring2][Ring1][Branch2]
|
Cc1sc(C)c2sc9cc12.N14CCCCC[C@H]1%10.C5(=O)[C@H]8C.C49=O.C6(N)=O.C7%10.N57.N68
|
CN(C(=O)CNC(=O)C[C@@H](NC(=O)c1ocnc1C1CC1)C(F)F)C1CC1
|
CNC=O)CNC=O)C[C@@H]NC=O)cocnc5CCC3))))))))))CF)F))))))))CCC3
|
[C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][F][C][C][C][Ring1][Ring1]
|
C3(=O)C[C@@H]6C(F)F.c18ocnc19.C2(=O)C5.CN27.C48=O.C19CC1.C17CC1.N35.N46
|
CNC(=O)N[C@@H](C)C(=O)NCCC1(NC(=O)c2cncc(NC)c2)CCC1
|
CNC=O)N[C@@H]C)C=O)NCCCNC=O)ccnccNC))c6))))))))CCC4
|
[C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][N][C][=C][Ring1][Branch2][C][C][C][Ring1][#C]
|
c1%12cncc%11c1.[C@H]8(C)C6=O.C1%104CCC1.C35=O.C9C4.C7%12=O.CN3.N58.N69.N7%10.N%11C
|
CCC[C@@H](C)C(=O)NCCn1cc(C(=O)Nc2c(C)ccnc2OC)cn1
|
CCC[C@@H]C)C=O)NCCnccC=O)NccC)ccnc6OC))))))))))cn5
|
[C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][N][=C][Ring1][#Branch1][O][C][C][=N][Ring1][P]
|
c17c(C)ccnc15.CCC[C@@H](C)C3=O.n19cc8cn1.C6C9.C48=O.N36.N47.O5C
|
COCn1nccc1C(=O)Nc1ccccc1-c1cnc[nH]1
|
COCnnccc5C=O)Ncccccc6-ccnc[nH]5
|
[C][O][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][NH1][Ring1][Branch1]
|
c13ccccc16.n15nccc14.c16cnc[nH]1.COC5.C24=O.N23
|
CS[C@H](C)C(=O)N1CC2(CCN(C(=O)CC3C[C@H]4C[C@@H]4C3)C2)C1
|
CS[C@H]C)C=O)NCCCCNC=O)CCC[C@H]C[C@@H]3C6))))))))C5))))C4
|
[C][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P]
|
N15CC2(CCN6C2)C1.C18C[C@H]2C[C@@H]2C1.[C@@H]7(C)C5=O.C6(=O)C8.CS7
|
CC(C)(C)[C@]1(CN=c2[nH]cncc2I)CCN(C(=O)C[C@H]2CCCNC(=O)C2)C1
|
CCC)C)[C@]CN=c[nH]cncc6I)))))))))CCNC=O)C[C@H]CCCNC=O)C7)))))))))C5
|
[C][C][Branch1][C][C][Branch1][C][C][C@][Branch1][N][C][N][=C][NH1][C][=N][C][=C][Ring1][=Branch1][I][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@H1][C][C][C][N][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring2][Ring1][=Branch2]
|
C5N=c1[nH]cncc1I.[C@H]16CCCNC(=O)C1.[C@@]145CCN3C1.CC4(C)C.C3(=O)C6
|
C=C=CCC(=O)N1CCC[C@@H]2[C@@H]1CCCN2C(=O)c1ncccc1Br
|
C=C=CCC=O)NCCC[C@@H][C@@H]6CCCN6C=O)cncccc6Br
|
[C][=C][=C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][C@@H1][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][Br]
|
N13CCC[C@@H]2[C@@H]1CCCN24.c15ncccc1Br.C=C=CCC3=O.C45=O
|
CCCn1cc(C(=O)N2CC[C@@H]3C[C@H](NC(=O)c4cnsc4)CC[C@@H]3C2)nn1
|
CCCnccC=O)NCC[C@@H]C[C@H]NC=O)ccnsc5)))))))CC[C@@H]6C%10)))))))))))nn5
|
[C][C][C][N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][=N][S][C][=Ring1][Branch1][C][C][C@@H1][Ring1][=C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=Branch2]
|
N15CC[C@@H]2C[C@H]7CC[C@@H]2C1.n1%10cc8nn1.c19cnsc1.CCC%10.C58=O.C69=O.N67
|
O=C(CNC(=O)NCC1CCCC1)N[C@@H]1CCCN(C(=O)CCc2cncs2)C1
|
O=CCNC=O)NCCCCCC5))))))))))N[C@@H]CCCNC=O)CCccncs5))))))))C6
|
[O][=C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][Branch1][N][C@@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][N][=C][S][Ring1][Branch1][C][Ring1][#C]
|
[C@@H]19CCCN6C1.C1%11CCCC1.C6(=O)CC%10.c1%10cncs1.O=C3C7.C45=O.N47.N58.C8%11.N39
|
O=C(N[C@H]1CN(C(=O)CCCc2cnn[nH]2)C2(CCC2)C1)[C@H]1C[C@@H]1C1CC1
|
O=CN[C@H]CNC=O)CCCccnn[nH]5)))))))))CCCC4)))C5))))))[C@H]C[C@@H]3CCC3
|
[O][=C][Branch2][Ring1][P][N][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][=C][N][=N][NH1][Ring1][Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][C][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
[C@H]15CN4C2(CCC2)C1.C4(=O)CCC7.[C@H]16C[C@@H]1C1CC1.c17cnn[nH]1.O=C36.N35
|
CCCN(C(=O)Cn1nc(C)c(C)c1C)C1CCN(C(=O)CCOC(C)C)CC1
|
CCCNC=O)CnncC)cC)c5C))))))))CCCNC=O)CCOCC)C))))))CC6
|
[C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][O][C][Branch1][C][C][C][C][C][Ring1][=C]
|
n18nc(C)c(C)c1C.C17CCN3CC1.C3(=O)CC4.C2(=O)C8.CCC6.N267.C5(C)C.O45
|
COCC1(C(=O)N2CC([C@H](O)C(=O)N[C@H](C)c3cnc[nH]3)C2)CCC1
|
COCCC=O)NCC[C@H]O)C=O)N[C@H]C)ccnc[nH]5)))))))))C4)))))CCC4
|
[C][O][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][S][C][C][C][Ring2][Ring1][=Branch1]
|
C18%10CCC1.N14CC%11C1.[C@@H]%11(O)C5=O.c19cnc[nH]1.C48=O.[C@H]79C.CO6.C6%10.N57
|
C#Cc1ccc(CC(=O)N[C@H]2CN(C(=O)c3ccc(N)c(O)c3)C[C@H]2OC)cc1
|
C#CccccCC=O)N[C@H]CNC=O)ccccN)cO)c6)))))))C[C@H]5OC))))))))))cc6
|
[C][#C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][C][O][=C][Ring1][Branch2][C][C@H1][Ring1][#C][O][C][C][=C][Ring2][Ring1][O]
|
C#Cc1ccc9cc1.c18ccc(N)c(O)c1.[C@H]17CN5C[C@H]16.C9C4=O.C58=O.N47.O6C
|
Cc1c[nH]cc1C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H](C)c3ccccc3C)[C@@H]2C1
|
Ccc[nH]cc5C=O)NC[C@@H]CCCNC=O)[C@@H]C)cccccc6C)))))))))[C@@H]6C9
|
[C][C][=C][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][P][C][Ring2][Ring1][Ring2]
|
N14C[C@@H]2CCCN5[C@@H]2C1.c17ccccc1C.Cc1c[nH]cc16.C5(=O)[C@H]7C.C46=O
|
COCC(C)=CC(=O)N1CC[C@H](F)C[C@@H]1C(=O)NCc1cncc(Cl)c1
|
COCCC)=CC=O)NCC[C@H]F)C[C@@H]6C=O)NCccnccCl)c6
|
[C][O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][F][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
N12CC[C@H](F)C[C@@H]16.c18cncc(Cl)c1.C4C=7C.C=7C2=O.C36=O.CO4.N35.C58
|
CCCCOCC(=O)N(C1CC1)[C@H](C)C(=O)NCC(=O)N(C)C
|
CCCCOCC=O)NCCC3)))[C@H]C)C=O)NCC=O)NC)C
|
[C][C][C][C][O][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
[C@@H]7(C)C3=O.CCCC5.C6C2=O.C8C4=O.N279.C19CC1.N4(C)C.O56.N38
|
COCC[C@@H](C)C(=O)NCC(=O)N[C@H]1CCC[C@H](O)[C@@H]1O
|
COCC[C@@H]C)C=O)NCC=O)N[C@H]CCC[C@H]O)[C@@H]6O
|
[C][O][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][O]
|
[C@H]16CCC[C@H](O)[C@@H]1O.C4C[C@@H](C)C2=O.C5C3=O.CO4.N25.N36
|
CCOc1nc(C(=O)N2CCC[C@@H]2CN(C)C(=O)[C@@H]2CC=C(C)CC2)ns1
|
CCOcncC=O)NCCC[C@@H]5CNC)C=O)[C@@H]CC=CC)CC6)))))))))))))))ns5
|
[C][C][O][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][=N][S][Ring2][Ring1][Branch2]
|
[C@@H]19CC=C(C)CC1.c16nc8ns1.N13CCC[C@@H]1%10.C38=O.N47C.C49=O.CC5.O56.C7%10
|
C[C@H]1CN(C(=O)[C@@H]2COCCO2)CC[C@H]1C(=O)N[C@@H]1CN(C)C2(CCC2)C1
|
C[C@H]CNC=O)[C@@H]COCCO6)))))))CC[C@H]6C=O)N[C@@H]CNC)CCCC4)))C5
|
[C][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][O][C][C][O][Ring1][=Branch1][C][C][C@H1][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2]
|
[C@@H]15CN(C)C2(CCC2)C1.C[C@H]1CN3CC[C@H]17.[C@@H]16COCCO1.C36=O.C47=O.N45
|
CCCC[C@H]1CN(C(=O)c2cc(CC)c[nH]2)CCN1C(=O)C[C@@H]1CC2(CC2)CO1
|
CCCC[C@H]CNC=O)cccCC))c[nH]5))))))CCN6C=O)C[C@@H]CCCC3))CO5
|
[C][C][C][C][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][C][=C][NH1][Ring1][#Branch1][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][C@@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1]
|
[C@H]16CN3CCN14.[C@@H]17CC2(CC2)CO1.c15cc8c[nH]1.CCCC6.C4(=O)C7.C35=O.C8C
|
COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccnc(C)n3)=C(F)C2)s1
|
COccccC=O)NCCCC=O)N[C@@H]C)cccncC)n6)))))))))=CF)C6)))))))s5
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Branch1][C][F][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][#Branch2]
|
N14CCC(C5=O)=C(F)C1.c19ccnc(C)n1.c16ccc8s1.C48=O.[C@@H]79C.CO6.N57
|
N#C[C@H](C(=O)c1ccn2ncnc2c1)c1nccn1Cc1ccccc1
|
N#C[C@H]C=O)cccnncnc5c9))))))))))cnccn5Ccccccc6
|
[N][#C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][N][N][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c13ccn2ncnc2c1.N#C[C@@H]5C3=O.c15nccn14.c16ccccc1.C46
|
C#Cc1cc(C(=O)N(CCNC(=O)c2c(C#N)cnn2C)C[C@@H](C)O)ccc1Cl
|
C#CcccC=O)NCCNC=O)ccC#N))cnn5C))))))))))C[C@@H]C)O)))))ccc6Cl
|
[C][#C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][C][C@@H1][Branch1][C][C][O][=C][C][=C][Ring2][Ring1][#Branch2][Cl]
|
C#Cc1cc9ccc1Cl.c18c(C#N)cnn1C.C7[C@@H](C)O.C39=O.N357.C5C6.C48=O.N46
|
CSc1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)n4cc(Cl)cn4)C[C@@H]3C2)c(C)o1
|
CScccC=O)NC[C@@H]CCNC=O)[C@H]C)nccCl)cn5)))))))C[C@@H]6C9))))))))))cC)o5
|
[C][S][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1][=C][Branch1][C][C][O][Ring2][Ring1][O]
|
N15C[C@@H]2CCN6C[C@@H]2C1.c19cc7c(C)o1.n18cc(Cl)cn1.C6(=O)[C@@H]8C.C57=O.CS9
|
CCC[C@H](CC(=O)NCC[C@@H](C)SC)NC(=O)CCN1CCCC1=O
|
CCC[C@H]CC=O)NCC[C@@H]C)SC))))))))NC=O)CCNCCCC5=O
|
[C][C][C][C@H1][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][C][N][C][C][C][C][Ring1][Branch1][=O]
|
CCC[C@@H]4CC2=O.N17CCCC1=O.C5C[C@H]6C.C3(=O)CC7.N25.S6C.N34
|
O=C(NC[C@H]1COCCN1C(=O)c1cnc(O)o1)c1cccn2nnnc12
|
O=CNC[C@H]COCCN6C=O)ccncO)o5))))))))))))))ccccnnnnc95
|
[O][=C][Branch2][Ring1][=Branch2][N][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][O][Ring1][=Branch1][C][=C][C][=C][N][N][=N][N][=C][Ring1][=Branch2][Ring1][Branch1]
|
c17cccn2nnnc12.[C@H]18COCCN14.c16cnc(O)o1.O=C37.C46=O.N35.C58
|
COCCNC(=O)[C@H](c1cn(C)cn1)N1CCC[C@H]2C[C@]21C(=O)OC
|
COCCNC=O)[C@H]ccnC)cn5)))))NCCC[C@H]C[C@]37C=O)OC
|
[C][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][N][C][C][C][C@H1][C][C@][Ring1][Ring1][Ring1][#Branch1][C][=Branch1][C][=O][O][C]
|
N17CCC[C@H]2C[C@]218.c19cn(C)cn1.C4(=O)[C@@H]79.C5C6.C38=O.CO5.N46.O3C
|
C[C@]1(C(=O)N2CCC[C@H]([Si](C)(C)C)C2)CCc2cc(Br)ccc21
|
C[C@]C=O)NCCC[C@H][Si]C)C)C))C6)))))))CCcccBr)ccc69
|
[C][C@][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1]
|
C[C@]1(C3=O)CCc2cc(Br)ccc21.N13CCC[C@H]([Si](C)(C)C)C1
|
CCOc1cccnc1C(=O)NC[C@@]1(C)CC[C@@H](NC(=O)C2(CC(C)C)CC2)C1
|
CCOccccnc6C=O)NC[C@@]C)CC[C@@H]NC=O)CCCC)C)))CC3)))))C5
|
[C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Ring1][S]
|
c17cccnc1%10.[C@]1%12(C)CC[C@@H]9C1.C1%114CC1.C4C(C)C.C3%10=O.C5%11=O.CC6.O67.N38.C8%12.N59
|
CC(C)CC(C)(C)C(=O)NCC1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCC1
|
CCC)CCC)C)C=O)NCCNC=O)[C@H]CCS=O)=O)N5)))))))CCC4
|
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Ring1][=C]
|
CC(C)CC(C)(C)C3=O.[C@H]17CCS(=O)(=O)N1.C168CCC1.C47=O.N35.C58.N46
|
C[C@]1(C(=O)N2CCCC[C@@H]2CNC(=O)CCc2ccsc2)CC1(F)F
|
C[C@]C=O)NCCCC[C@@H]6CNC=O)CCcccsc5)))))))))))))))))CC3F)F
|
[C][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring2][Ring1][=Branch1][Branch1][C][F][F]
|
N13CCCC[C@@H]17.C[C@]16CC1(F)F.C4(=O)CC8.c18ccsc1.C36=O.C57.N45
|
CCc1cc(C(=O)NC/C=C(\C)C(=O)N2C3CCC2CC3)on1
|
CCcccC=O)NC/C=C\C)C=O)NCCCC5CC6)))))))))))))on5
|
[C][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][O][N][=Ring2][Ring1][Branch1]
|
N15C2CCC1CC2.c19cc7on1.C=8(C)C5=O.C47=O.C6C=8.CC9.N46
|
CCN(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@]1(O)CCSC1
|
CCNC)CC=O)NC)C[C@H]C)NC=O)[C@]O)CCSC5
|
[C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][O][C][C][S][C][Ring1][=Branch1]
|
[C@@]18(O)CCSC1.C5C2=O.C6[C@@H]7C.N45C.N26C.C38=O.CC4.N37
|
Cc1cc(C(C)(C)C(=O)N[C@H]2CO[C@H]3CN(C(=O)CC[C@@H]4CCOC4)C[C@@H]23)cs1
|
CcccCC)C)C=O)N[C@H]CO[C@H]CNC=O)CC[C@@H]CCOC5))))))))C[C@@H]85)))))))))))cs5
|
[C][C][=C][C][Branch2][Ring2][Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][O][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C@@H1][C][C][O][C][Ring1][Branch1][C][C@@H1][Ring1][P][Ring1][=C][=C][S][Ring2][Ring1][N]
|
[C@H]17CO[C@H]2CN6C[C@H]21.Cc1cc9cs1.C9(C)(C)C5=O.C6(=O)CC8.[C@@H]18CCOC1.N57
|
COc1ccc(S[C@H](C)C(=O)N[C@H](CO)[C@@H](C)NC(=O)c2ccc(SC)o2)cc1
|
COccccS[C@H]C)C=O)N[C@H]CO))[C@@H]C)NC=O)ccccSC))o5)))))))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
|
c15ccc%11cc1.[C@@H]6(CO)[C@H]7C.c19ccc%10o1.[C@@H]8(C)C3=O.C49=O.CO5.S8%11.N36.N47.S%10C
|
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