SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCN(CCNC(=O)c1c(-c2ccccc2)nnn1C)C(=O)[C@@H](O)CC(F)(F)F
|
CCNCCNC=O)cc-cccccc6))))))nnn5C))))))))))C=O)[C@@H]O)CCF)F)F
|
[C][C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][O][C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F]
|
C4(=O)[C@@H](O)CC(F)(F)F.c18c9nnn1C.c19ccccc1.N456.C6C7.C38=O.CC5.N37
|
CN1N=C(CC(=O)N2CCC[C@@H](NC(=O)c3ccc4c(c3)CCO4)CC2)CC1=O
|
CNN=CCC=O)NCCC[C@@H]NC=O)cccccc6)CCO5))))))))))CC7)))))))))CC5=O
|
[C][N][N][=C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][O][=O]
|
CN1N=C(CC5=O)CC1=O.c18ccc2c(c1)CCO2.N15CCC[C@@H]7CC1.C68=O.N67
|
COCc1ccccc1C(=O)N[C@@H]1C[C@@H]1C(=O)Nc1cc(C)nn1C(C)(C)C
|
COCcccccc6C=O)N[C@@H]C[C@@H]3C=O)NcccC)nn5CC)C)C
|
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
c1%10ccccc18.c15cc(C)nn19.[C@@H]16C[C@@H]17.C9(C)(C)C.C28=O.C37=O.CO4.C4%10.N26.N35
|
O=C(NCC1CCC1)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)CCCC1CCC1
|
O=CNCCCCC4))))))[C@@H]C[C@@H]C[C@@H]3N6C=O)CCCCCCC4
|
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Ring2][C@@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Ring2]
|
[C@@H]16C[C@@H]2C[C@@H]2N14.C4(=O)CCC8.C17CCC1.C18CCC1.O=C36.N35.C57
|
NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1(F)CC1)C2
|
NC=O)[C@@H]CCCC[C@@H]6C=O)N[C@]CC[C@H]4CNC=O)CF)CC3))))C7
|
[N][C][=Branch1][C][=O][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@][C][C][C@H1][Ring1][Ring2][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2][C][Ring1][=N]
|
[C@]125CC[C@H]1CN4C2.[C@@H]16CCCC[C@@H]17.C18(F)CC1.NC6=O.C37=O.C48=O.N35
|
CCC[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)c1cccc(Cl)c1Br
|
CCC[C@@]C)O)CC=O)NC)CCCNC)C=O)cccccCl)c6Br
|
[C][C][C][C@@][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Br]
|
CCC[C@@](C)(O)CC2=O.c16cccc(Cl)c1Br.C4CC5.N24C.N35C.C36=O
|
C#CCO[C@H](C)C(=O)N1CCC(C)(C)C[C@@H]1C(=O)NC(C)(C)C#CCC
|
C#CCO[C@H]C)C=O)NCCCC)C)C[C@@H]6C=O)NCC)C)C#CCC
|
[C][#C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][#C][C][C]
|
N12CCC(C)(C)C[C@@H]17.C6(C)(C)C#CCC.[C@@H]5(C)C2=O.C#CC4.C37=O.O45.N36
|
CCCOCCC(=O)NC[C@@H]1CCN1C(=O)[C@]1(Cc2ccccc2)CCOC1
|
CCCOCCC=O)NC[C@@H]CCN4C=O)[C@]Ccccccc6)))))))CCOC5
|
[C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C@][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][Ring1][N]
|
[C@@]18%10CCOC1.c1%11ccccc1.C6CC3=O.[C@@H]19CCN14.CCC5.C48=O.O56.N37.C79.C%10%11
|
CN(C(=O)c1cc(F)c(Br)c(F)c1)[C@H]1[C@@H]2CN(C(=O)[C@]3(C)CC3(F)F)C[C@@H]21
|
CNC=O)cccF)cBr)cF)c6)))))))[C@H][C@@H]CNC=O)[C@]C)CC3F)F)))))C[C@@H]56
|
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][=Branch2][C@H1][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][F][F][C][C@@H1][Ring1][=N][Ring1][=C]
|
c18cc(F)c(Br)c(F)c1.[C@@H]16[C@H]2CN5C[C@@H]12.[C@@]17(C)CC1(F)F.CN46.C48=O.C57=O
|
C=CC[C@]1(NC(=O)c2cccc3ccnn23)CCN(C(=O)CCC(C)(C)C)C1
|
C=CC[C@]NC=O)cccccccnn95)))))))))))CCNC=O)CCCC)C)C)))))C5
|
[C][=C][C][C@][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2]
|
c17cccc2ccnn12.C5(=O)CCC(C)(C)C.[C@]168CCN5C1.C=CC8.C47=O.N46
|
CCCc1ccc(C(=O)NC[C@@H](NC(=O)[C@@H](OC)C2CCOCC2)C(C)C)s1
|
CCCccccC=O)NC[C@@H]NC=O)[C@@H]OC))CCCOCC6)))))))))CC)C))))))s5
|
[C][C][C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][C][S][Ring2][Ring1][=Branch2]
|
c19ccc8s1.C6[C@@H]7C(C)C.C1%10CCOCC1.C4(=O)[C@@H]5%10.CCC9.C38=O.N36.N47.O5C
|
C=C1CN2C(=O)CC[C@@]2(C(=O)NCC[C@@H](C)N(C)C(=O)CC2OCCO2)C1
|
C=CCNC=O)CC[C@@]5C=O)NCC[C@@H]C)NC)C=O)CCOCCO5)))))))))))))C8
|
[C][=C][C][N][C][=Branch1][C][=O][C][C][C@@][Ring1][=Branch1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][C][C][O][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
|
C=C1CN2C(=O)CC[C@@]27C1.C5C[C@H]6C.C18OCCO1.C4(=O)C8.C37=O.N46C.N35
|
CCNC(=O)C(=O)N[C@@H]1C=CCN(C(=O)c2ccnn2CCF)C1
|
CCNC=O)C=O)N[C@@H]C=CCNC=O)cccnn5CCF)))))))))C6
|
[C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][F][C][Ring1][S]
|
[C@@H]17C=CCN5C1.c18ccnn19.C3(=O)C4=O.C58=O.C9CF.CC6.N36.N47
|
CCN1C[C@@H](NC(=O)Nc2ccccc2Cn2cccn2)CC1=O
|
CCNC[C@@H]NC=O)Ncccccc6Cncccn5)))))))))))))))CC5=O
|
[C][C][N][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][=O]
|
N18C[C@@H]6CC1=O.c15ccccc19.n17cccn1.C34=O.CC8.N36.N45.C79
|
CC[C@H](C)C(=O)C(=O)N1CC([C@@H](O)C(=O)N[C@@H]2C(=O)OCC2(C)C)C1
|
CC[C@H]C)C=O)C=O)NCC[C@@H]O)C=O)N[C@@H]C=O)OCC5C)C)))))))))C4
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][Branch1][C][C][C][C][Ring1][P]
|
CC[C@H](C)C(=O)C3=O.[C@@H]15C(=O)OCC1(C)C.N13CC6C1.[C@H]6(O)C4=O.N45
|
C[C@@]1(CNC(=O)[C@@H]2CCSC2)CC(F)(F)CN1c1ncns1
|
C[C@@]CNC=O)[C@@H]CCSC5))))))))CCF)F)CN5cncns5
|
[C][C@@][Branch1][=C][C][N][C][=Branch1][C][=O][C@@H1][C][C][S][C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][S][C][=N][C][=N][S][Ring1][Branch1]
|
C[C@@]17CC(F)(F)CN15.[C@@H]16CCSC1.c15ncns1.C36=O.C47.N34
|
C[C@@H]1CN(C(=O)[C@@]2(CO)CCN(C(=O)C[C@@H]3CCCN(C)C3)C2)C1(C)C
|
C[C@@H]CNC=O)[C@@]CO))CCNC=O)C[C@@H]CCCNC)C6))))))))C5))))))C4C)C
|
[C][C@@H1][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@][Branch1][Ring1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][P][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
|
C[C@@H]1CN4C1(C)C.[C@]167CCN5C1.[C@@H]18CCCN(C)C1.C5(=O)C8.C46=O.C7O
|
CCCNC(=O)CCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCCC(C)(C)O1
|
CCCNC=O)CCCC=O)NC[C@@H]C[C@H]F)CN5C=O)[C@@H]CCCCC)C)O6
|
[C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2]
|
C2(=O)CCCC3=O.[C@@H]17CCCC(C)(C)O1.[C@@H]18C[C@H](F)CN14.CCC5.C47=O.N25.N36.C68
|
Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)c2cccc4ccsc24)C3)co1
|
CcccC=O)N[C@@H]C[C@H]C[C@H]5NC=O)cccccccsc95))))))))))C5)))))))))co5
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring1][S][=C][O][Ring2][Ring1][#Branch2]
|
c19cccc2ccsc12.[C@@H]17C[C@H]2C[C@H]1N6C2.Cc1cc8co1.C58=O.C69=O.N57
|
CCc1cc(N[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C(C)C)nc(C)n1
|
CCcccN[C@@H]CNC=O)C[C@@H]cccccc6))))))NC)C)))))))CC)C))))ncC)n6
|
[C][C][C][=C][C][Branch2][Ring2][C][N][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][C][C][=N][C][Branch1][C][C][=N][Ring2][Ring1][O]
|
c18cc7nc(C)n1.[C@H]4(C5)C(C)C.C3(=O)C[C@H]69.c19ccccc1.N6(C)C.CC8.N47.N35
|
CN(CC[C@@H]1CCCCN1C(=O)CN(C)S(N)(=O)=O)C(=O)c1cncn1C
|
CNCC[C@@H]CCCCN6C=O)CNC)SN)=O)=O)))))))))))))C=O)ccncn5C
|
[C][N][Branch2][Ring1][N][C][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C]
|
[C@@H]17CCCCN12.N5(C)S(N)(=O)=O.c16cncn1C.C2(=O)C5.CN34.C4C7.C36=O
|
CC1(C)CO[C@H](CNC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)C=Cc2ccsc2)C1
|
CCC)CO[C@H]CNC=O)[C@@H][C@H]CC[C@H]C5)N6C=O)C=Ccccsc5)))))))))))))))))C5
|
[C][C][Branch1][C][C][C][O][C@H1][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][#Branch2]
|
[C@@H]17[C@H]2CC[C@H](C2)N15.CC1(C)CO[C@H]9C1.C=8c1ccsc1.C5(=O)C=8.C47=O.C69.N46
|
O=C(C=CC(=O)N1C[C@@H](CC(=O)NC23CC(C2)C3)C2(CC2)C1)NC1CC1
|
O=CC=CC=O)NC[C@@H]CC=O)NCCCC4)C4)))))))CCC3))C5))))))))NCCC3
|
[O][=C][Branch2][Ring2][Branch2][C][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][S][N][C][C][C][Ring1][Ring1]
|
N15C[C@@H]%10C2(CC2)C1.C127CC(C1)C2.O=C4C=9.C=9C5=O.C%10C6=O.C18CC1.N67.N48
|
Cc1nnc(O)c(C(=O)N2CCC3(CC2)C[C@H]3NC(=O)[C@@H](F)C(C)C)c1C
|
CcnncO)cC=O)NCCCCC6))C[C@H]3NC=O)[C@@H]F)CC)C))))))))))))c6C
|
[C][C][=N][N][=C][Branch1][C][O][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2][C]
|
Cc1nnc(O)c7c1C.N14CCC2(CC1)C[C@H]26.C5(=O)[C@@H](F)C(C)C.C47=O.N56
|
Cc1nc[nH]c1CC(=O)NCC12CC(CN1C(=O)CC1CC3(CCC3)C1)C2
|
Ccnc[nH]c5CC=O)NCCCCCN5C=O)CCCCCCC4)))C4))))))))C4
|
[C][C][N][=C][NH1][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#Branch1][C][Ring1][S]
|
C127CC(CN15)C2.C19CC2(CCC2)C1.Cc1nc[nH]c18.C8C4=O.C5(=O)C9.N46.C67
|
C[C@@H](CC(=O)N1CCN(C(=O)c2cnc(Cl)s2)[C@@H](CO)C1)NC(=O)C1CCCC1
|
C[C@@H]CC=O)NCCNC=O)ccncCl)s5))))))[C@@H]CO))C6))))))))NC=O)CCCCC5
|
[C][C@@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][O][C][Ring1][S][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1]
|
N13CCN4[C@@H]9C1.C[C@H]6CC3=O.c17cnc(Cl)s1.C18CCCC1.C47=O.C58=O.C9O.N56
|
CCCC[C@@](C)(F)C(=O)N1C[C@H](F)C[C@H](NC(=O)c2sc3ccccc3c2C)C1
|
CCCC[C@@]C)F)C=O)NC[C@H]F)C[C@H]NC=O)cscccccc6c9C))))))))))))C6
|
[C][C][C][C][C@@][Branch1][C][C][Branch1][C][F][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][Ring2][Ring1][Ring2]
|
c17sc2ccccc2c1C.CCCC[C@@](C)(F)C4=O.N14C[C@@H]6C[C@@H](F)C1.C57=O.N56
|
CS(=O)(=O)CCCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C=Cc3cccs3)[C@@H]2C1
|
CS=O)=O)CCCC=O)NC[C@@H]C[C@@H]CNC=O)C=Cccccs5))))))))))[C@@H]4C7
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][S][Ring1][Branch1][C@@H1][Ring1][#C][C][Ring2][Ring1][C]
|
CS(=O)(=O)CCCC4=O.N14C[C@@H]2C[C@@H]8[C@@H]2C1.C=7c1cccs1.C5(=O)C=7.C68.N56
|
O=C(c1ncc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cn1)N1C[C@H]2C[C@@H](C1)O2
|
O=Ccncc-ccccOCF)F)F)))c[N+]=O)[O-]))c6))))))cn6))))))NC[C@H]C[C@@H]C6)O4
|
[O][=C][Branch2][Ring2][#Branch1][C][=N][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=C][C][=N][Ring2][Ring1][Ring2][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][O][Ring1][Branch1]
|
c16ccc4c([N+](=O)[O-])c1.c15ncc6cn1.N13C[C@H]2C[C@@H](C1)O2.O4C(F)(F)F.O=C35
|
C#CCCCCC(=O)NC[C@@H](NC(=O)[C@H](C)SC(C)C)c1cccc(C)c1
|
C#CCCCCC=O)NC[C@@H]NC=O)[C@H]C)SCC)C))))))cccccC)c6
|
[C][#C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
|
C#CCCCCC2=O.c18cccc(C)c1.C3(=O)[C@@H]6C.C4[C@@H]58.C7(C)C.N24.N35.S67
|
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2c2cn(CC3[C@@H]4CCC[C@@H]34)nn2)C1
|
CCC)C)O[C@H]C[C@@H]C=O)NCCOC[C@@H]6ccnCC[C@@H]CCC[C@@H]65)))))))nn5))))))))))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][O][C@H1][C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=C][N][Branch1][N][C][C][C@@H1][C][C][C][C@@H1][Ring1][=Branch1][Ring1][Branch1][N][=N][Ring1][N][C][Ring2][Ring1][Branch2]
|
N15CCOC[C@@H]1%11.c1%11cn9nn1.C1%10[C@@H]2CCC[C@@H]12.[C@H]17C[C@@H]8C1.CC6(C)C.C58=O.O67.C9%10
|
CC[C@@H](C)CC(=O)NCCN(C[C@H](C)O)C(=O)c1nn2c(c1Br)CCC2
|
CC[C@@H]C)CC=O)NCCNC[C@H]C)O)))C=O)cnncc5Br))CCC5
|
[C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][=N][N][C][=Branch1][Branch1][=C][Ring1][Branch1][Br][C][C][C][Ring1][#Branch1]
|
c18nn2c(c1Br)CCC2.CC[C@@H](C)CC3=O.C7[C@H](C)O.C5C6.N467.C48=O.N35
|
C=CCn1cc(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)[C@@H](O)C(C)C)C2)nn1
|
C=CCnccC=O)NCC[C@H]C)[C@@H]CNC=O)[C@@H]O)CC)C))))))C6)))))))nn5
|
[C][=C][C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][C][C][Ring1][S][N][=N][Ring2][Ring1][#Branch1]
|
N13CC[C@H](C)[C@@H]8C1.C4(=O)[C@@H](O)C(C)C.n17cc6nn1.C=CC7.C36=O.C58.N45
|
CC(=O)Nc1ccccc1-c1cn(Cc2cc(C(=O)OC(C)(C)C)no2)nn1
|
CC=O)Ncccccc6-ccnCcccC=O)OCC)C)C))))no5))))))nn5
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch2][Ring1][Branch2][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][O][Ring1][N][N][=N][Ring2][Ring1][C]
|
c16ccccc1%10.c1%10cn8nn1.c19cc7no1.C5(C)(C)C.CC4=O.C37=O.N46.C89.O35
|
NC(=O)C(=O)N1CCN(C(=O)c2cc[nH]c2C2CCC2)[C@@H](C2CCCC2)C1
|
NC=O)C=O)NCCNC=O)ccc[nH]c5CCCC4))))))))))[C@@H]CCCCC5)))))C6
|
[N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring2][C@@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][=Branch1]
|
N13CCN4[C@@H]6C1.c15cc[nH]c17.NC(=O)C3=O.C16CCCC1.C17CCC1.C45=O
|
CC(NC(=O)c1ccc(Cl)s1)C1OCCc2sccc21
|
CCNC=O)ccccCl)s5)))))))COCCcsccc59
|
[C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][=Branch2]
|
CC4C1OCCc2sccc21.c15ccc(Cl)s1.C35=O.N34
|
CN(C)CCCCC(=O)N1CCCCC[C@@H]1C(=O)N1CC[C@H](OCC(N)=O)C1
|
CNC)CCCCC=O)NCCCCC[C@@H]7C=O)NCC[C@H]OCCN)=O))))C5
|
[C][N][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][Ring1][#Branch2]
|
N12CCCCC[C@@H]17.C6CCCC2=O.N13CC[C@H]5C1.C4C(N)=O.CN6C.C37=O.O45
|
CN(CCCC(=O)N1CCC[C@](C)(CO)C1)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1
|
CNCCCC=O)NCCC[C@]C)CO))C6))))))))))C=O)[C@H]C[C@@H]C[C@@H]3C6
|
[C][N][Branch2][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][C][=Branch1][C][=O][C@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][C][Ring1][=Branch1]
|
N13CCC[C@@]7(C)C1.C5CCC3=O.[C@H]16C[C@@H]2C[C@@H]2C1.CN45.C46=O.C7O
|
CC[C@](C)(C(N)=O)C(=O)NCC#CCNC(=O)c1csc(-c2cnccn2)n1
|
CC[C@]C)CN)=O))C=O)NCC#CCNC=O)ccsc-ccnccn6))))))n5
|
[C][C][C@][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][#C][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][O]
|
CC[C@@](C)(C3=O)C(N)=O.c17csc8n1.c18cnccn1.C5C#CC6.C47=O.N35.N46
|
CCOC(=O)C1(C(=O)N2CCC(C3CN(C(=O)c4csc(Cl)c4)C3)CC2)CCC1
|
CCOC=O)CC=O)NCCCCCNC=O)ccscCl)c5))))))C4))))CC6)))))))CCC4
|
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][Ring1][N][C][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][Branch2]
|
N16CCC(C2CN7C2)CC1.c1%11csc(Cl)c1.C19%10CCC1.C59=O.C6%10=O.C7%11=O.CC8.O58
|
CCCOCCC(=O)NC[C@@H]1CN(C(=O)C[C@@H]2CCOC2(C)C)CC12CCC2
|
CCCOCCC=O)NC[C@@H]CNC=O)C[C@@H]CCOC5C)C))))))))CC5CCC4
|
[C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][C][C][O][C][Ring1][Branch1][Branch1][C][C][C][C][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
[C@@H]18CN4CC12CCC2.[C@@H]19CCOC1(C)C.C6CC3=O.C4(=O)C9.CCC5.O56.N37.C78
|
O=C(NCCC[C@@H](O)C(=O)N(CCO)C[C@H](O)CO)C(=O)C1CCCCC1
|
O=CNCCC[C@@H]O)C=O)NCCO)))C[C@H]O)CO)))))))))))C=O)CCCCCC6
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C@H1][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1]
|
C4CC[C@@H](O)C3=O.C17CCCCC1.O=C2C7=O.C6[C@H](O)CO.N356.C5CO.N24
|
CCOC(=O)[C@@H](F)C(=O)NCCCCCNC(=O)c1nn(CC)nc1C
|
CCOC=O)[C@@H]F)C=O)NCCCCCNC=O)cnnCC))nc5C
|
[C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][Ring1][C][C][N][=C][Ring1][#Branch1][C]
|
C2(=O)[C@@H](F)C3=O.c18nn9nc1C.C6CCCC7.C48=O.CC5.O25.N36.N47.C9C
|
C=CCOc1ccc(Cl)nc1C(=O)N[C@H](C)CNC(=O)CCSC1CCCC1
|
C=CCOccccCl)nc6C=O)N[C@H]C)CNC=O)CCSCCCCC5
|
[C][=C][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][S][C][C][C][C][C][Ring1][Branch1]
|
c15ccc(Cl)nc19.C3(=O)CC8.C1%10CCCC1.[C@@H]6(C)C7.C=CC4.C29=O.O45.N26.N37.S8%10
|
COC(=O)[C@@H]1CCO[C@@H]1C(=O)N1CC(OCCNC(=O)CCc2cccnc2)C1
|
COC=O)[C@@H]CCO[C@@H]5C=O)NCCOCCNC=O)CCccccnc6)))))))))))))C4
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C]
|
[C@@H]1%10CCO[C@@H]19.c1%11cccnc1.N14CC7C1.C5(=O)CC%11.C3%10=O.C49=O.C6C8.CO3.O67.N58
|
CO[C@@]1(C)CCN(C(=O)[C@H](C)C2CCN(Cc3ccc(F)c(O)c3)CC2)C1
|
CO[C@@]C)CCNC=O)[C@H]C)CCCNCccccF)cO)c6)))))))CC6))))))))C5
|
[C][O][C@@][Branch1][C][C][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][#C][C][Ring2][Ring1][=Branch2]
|
c18ccc(F)c(O)c1.[C@]15(C)CCN4C1.C17CCN6CC1.C4(=O)[C@@H]7C.CO5.C68
|
COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ncc2F)n1
|
COcccc[N+]=O)[O-]))cNC=O)[C@H]CCCN5C=O)cccCl)ncc6F)))))))))))))))n6
|
[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][O]
|
c15ccc([N+](=O)[O-])c6n1.c18cc(Cl)ncc1F.[C@H]17CCCN14.C37=O.C48=O.CO5.N36
|
COc1ccc(Cl)cc1CC(=O)NCCC1CCN(C(=O)[C@H](O)[C@H](C)SC)CC1
|
COccccCl)cc6CC=O)NCCCCCNC=O)[C@H]O)[C@H]C)SC)))))CC6
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][C][C][S][C][C][C][Ring1][=C]
|
c14ccc(Cl)cc18.C17CCN3CC1.C3(=O)[C@H](O)[C@@H]6C.C8C2=O.C5C7.CO4.N25.S6C
|
CC(C)(CC[C@@H]1CCCCN1C(=O)c1cnccn1)NC(=O)C1(NC(N)=O)CC1
|
CCC)CC[C@@H]CCCCN6C=O)ccnccn6)))))))))))))))NC=O)CNCN)=O)))CC3
|
[C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][C][Ring1][#Branch1]
|
[C@@H]19CCCCN12.CC5(C)CC9.c17cnccn1.C168CC1.C27=O.C38=O.C4(N)=O.N35.N46
|
O=S(=O)(CCC1(F)CCC1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1
|
O=S=O)CCCF)CCC4))))))NCCC[C@H]OccccCl)cCl)c6)))))))C6
|
[O][=S][=Branch1][C][=O][Branch1][N][C][C][C][Branch1][C][F][C][C][C][Ring1][Branch1][N][C][C][C][C@H1][Branch1][S][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C]
|
c14ccc(Cl)c(Cl)c1.N15CCC[C@H]3C1.O=S5(=O)CC6.C16(F)CCC1.O34
|
CC(C)C[C@@H](C)CC(=O)N[C@H](CC(=O)NC1(CO)CCCC1)CC(C)C
|
CCC)C[C@@H]C)CC=O)N[C@H]CC=O)NCCO))CCCC5))))))))CCC)C
|
[C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][C][C]
|
CC(C)C[C@@H](C)CC2=O.[C@@H]4(CC3=O)CC(C)C.C156CCCC1.N24.N35.C6O
|
C[C@@H](NC(=O)CC(C)(C)F)[C@H]1CCN(C(=O)c2cc(CCO)on2)C1
|
C[C@@H]NC=O)CCC)C)F)))))[C@H]CCNC=O)cccCCO)))on5))))))C5
|
[C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][F][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][Branch1][Ring2][C][C][O][O][N][=Ring1][Branch2][C][Ring1][#C]
|
C3(=O)CC(C)(C)F.[C@H]18CCN4C1.c16cc7on1.C[C@@H]58.C46=O.C7CO.N35
|
CCN(C[C@H]1CCCCN1C(=O)[C@H]1SCC=C1C)C(=O)c1ccc(OC)c(C)c1
|
CCNC[C@H]CCCCN6C=O)[C@H]SCC=C5C))))))))))))))C=O)ccccOC))cC)c6
|
[C][C][N][Branch2][Ring1][=Branch1][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][S][C][C][=C][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2]
|
c18ccc4c(C)c1.[C@H]19CCCCN12.[C@H]17SCC=C1C.N356.C27=O.C38=O.CC5.C69.O4C
|
Cc1ccnc(C(=O)NC[C@H](C)CN(C)C(=O)COc2cccnc2Cl)n1
|
CcccncC=O)NC[C@H]C)CNC)C=O)COccccnc6Cl))))))))))))))))n6
|
[C][C][=C][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch2]
|
Cc1ccnc9n1.c16cccnc1Cl.C7[C@H](C)C8.C4(=O)C5.C39=O.N48C.N37.O56
|
COc1cc(C)c(C(=O)N2CCCC[C@H]2CCNC(=O)C#CC(C)C)cc1Br
|
COcccC)cC=O)NCCCC[C@H]6CCNC=O)C#CCC)C)))))))))))))))cc6Br
|
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2][Br]
|
c15cc(C)c7cc1Br.N13CCCC[C@H]18.C4(=O)C#CC(C)C.C37=O.C8C6.CO5.N46
|
C#C[C@@H](CC1CC1)NC(=NC)N[C@H]1C[C@@H](OC(C)(C)C)C1
|
C#C[C@@H]CCCC3))))NC=NC))N[C@H]C[C@@H]OCC)C)C)))C4
|
[C][#C][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=Branch1][Ring1][=N][C][N][C@H1][C][C@@H1][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2]
|
N4C(=NC)N5.C#C[C@H]4C6.[C@H]15C[C@@H]3C1.C2(C)(C)C.C16CC1.O23
|
O=C(CCn1cc(-c2cccc(F)c2Cl)nn1)N1C[C@H](F)[C@@H](C(F)(F)F)C1
|
O=CCCncc-cccccF)c6Cl)))))))nn5)))))))NC[C@H]F)[C@@H]CF)F)F))C5
|
[O][=C][Branch2][Ring1][Branch2][C][C][N][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl][N][=N][Ring1][=N][N][C][C@H1][Branch1][C][F][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2]
|
c16cccc(F)c1Cl.N13C[C@H]5[C@@H](F)C1.n14cc6nn1.O=C3CC4.C5(F)(F)F
|
O=C1CC[C@H](NC(=O)[C@@H]2COCCN(C(=O)CCCC(F)(F)F)C2)CN1
|
O=CCC[C@H]NC=O)[C@@H]COCCNC=O)CCCCF)F)F))))))C7)))))))))CN6
|
[O][=C][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S][C][N][Ring2][Ring1][=Branch2]
|
C4(=O)CCCC(F)(F)F.[C@@H]16COCCN4C1.O=C1CC[C@H]5CN1.C36=O.N35
|
Cn1c(S)nnc1C(=O)N1Cc2[nH]nc(C(=O)N3CC[C@H]3CN=[N+]=[N-])c2C1
|
CncS)nnc5C=O)NCc[nH]ncC=O)NCC[C@H]4CN=[N+]=[N-])))))))))c5C8
|
[C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][NH1][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][N][=N+1][=N-1][C][=Ring1][#C][C][Ring2][Ring1][C]
|
N14Cc2[nH]nc7c2C1.Cn1c6nnc1S.N15CC[C@H]18.C8N=[N+]=[N-].C46=O.C57=O
|
COC[C@@H](C)CN(C)C(=O)C(C)(C)CCNC(=O)C[C@@H]1CCCO1
|
COC[C@@H]C)CNC)C=O)CC)C)CCNC=O)C[C@@H]CCCO5
|
[C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][O][Ring1][Branch1]
|
C2(=O)C(C)(C)CC6.C4[C@@H](C)C5.[C@@H]17CCCO1.C3(=O)C7.N25C.CO4.N36
|
CC(C)c1[nH]ccc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC=CCO2)C1
|
CCC)c[nH]ccc5C=O)NC[C@]O)CCNC=O)[C@@H]CC=CCO6)))))))C5
|
[C][C][Branch1][C][C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][O][Ring1][=Branch1][C][Ring1][=C]
|
[C@@]19(O)CCN4C1.c18[nH]ccc17.[C@@H]16CC=CCO1.CC8C.C37=O.C46=O.N35.C59
|
C/C(=C\CNC(=O)c1ccsc1Cl)C(=O)N[C@H](C)c1ccnc(C)n1
|
C/C=C\CNC=O)cccsc5Cl))))))))))C=O)N[C@H]C)cccncC)n6
|
[C][/C][=Branch1][S][=C][\C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][Cl][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1]
|
c18ccnc(C)n1.c16ccsc1Cl.CC=7C3=O.C=7C4.C26=O.[C@H]58C.N24.N35
|
CCc1sccc1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CCc1ncccn1
|
CCcsccc5C=O)N[C@@H]COCC[C@@H]6NC=O)CCcncccn6
|
[C][C][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=N][Ring1][=Branch1]
|
[C@@H]14COCC[C@@H]15.c17sccc16.c18ncccn1.C3(=O)CC8.C26=O.CC7.N24.N35
|
O=C(c1csc(S)n1)N1C[C@H]2C[C@@H](C1)CN(C(=O)C(F)(F)C(F)(F)F)C2
|
O=CccscS)n5)))))NC[C@H]C[C@@H]C6)CNC=O)CF)F)CF)F)F))))C6
|
[O][=C][Branch1][O][C][=C][S][C][Branch1][C][S][=N][Ring1][=Branch1][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S]
|
N13C[C@H]2C[C@@H](C1)CN4C2.C4(=O)C(F)(F)C(F)(F)F.c15csc(S)n1.O=C35
|
O=C(NC1(CO)CN(C(=O)C(F)(F)c2cnccn2)C1)c1cc2scnc2[nH]1
|
O=CNCCO))CNC=O)CF)F)ccnccn6))))))))C4)))))cccscnc5[nH]8
|
[O][=C][Branch2][Ring2][C][N][C][Branch1][Ring1][C][O][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][P][C][=C][C][S][C][=N][C][=Ring1][Branch1][NH1][Ring1][Branch2]
|
c16cc2scnc2[nH]1.C158CN4C1.C4(=O)C7(F)F.c17cnccn1.O=C36.N35.C8O
|
CCn1ccnc1C=CC(=O)NC1([C@@H]2CCCN2C(=O)[C@H]2CCCSC2)CC1
|
CCnccnc5C=CC=O)NC[C@@H]CCCN5C=O)[C@H]CCCSC6))))))))))))CC3
|
[C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][S][C][Ring1][=Branch1][C][C][Ring1][S]
|
n18ccnc1C=7.[C@@H]19CCCN14.[C@H]16CCCSC1.C=7C3=O.C159CC1.C46=O.CC8.N35
|
CC(C)CO[C@@H](C(=O)N1CC(CNC(=O)C(=O)C2CCOCC2)C1)C(C)C
|
CCC)CO[C@@H]C=O)NCCCNC=O)C=O)CCCOCC6))))))))))C4)))))CC)C
|
[C][C][Branch1][C][C][C][O][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S][C][Branch1][C][C][C]
|
[C@H]6(C3=O)C(C)C.C18CCOCC1.N13CC9C1.C4(=O)C8=O.CC(C)C5.O56.C79.N47
|
CCOC(=O)[C@@H](CC)C(=O)NCC1(C(=O)N(CCCO)C2CCC2)CC1
|
CCOC=O)[C@@H]CC))C=O)NCCC=O)NCCCO))))CCCC4))))))CC3
|
[C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][O][C][C][C][C][Ring1][Ring2][C][C][Ring1][=C]
|
C3(=O)[C@@H](CC)C4=O.C1%10%11CC1.C8CCO.C19CCC1.C5%10=O.N589.CC6.O36.N47.C7%11
|
O=C(c1nsc2ccccc12)N1CCC2(CC1)CN(C(=O)[C@H]1CC13CC3)C2
|
O=Ccnscccccc96)))))))))NCCCCC6))CNC=O)[C@H]CC3CC3))))))C4
|
[O][=C][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][Ring1][Ring1][C][Ring1][=N]
|
N14CCC2(CC1)CN5C2.c16nsc2ccccc12.[C@H]17CC12CC2.O=C46.C57=O
|
CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(OC)cc2)C1
|
CCNC=O)CCCC)C)[N+]=O)[O-]))))))[C@@H]CCCNC=O)ccccOC))cc6)))))))C6
|
[C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N+1][=Branch1][C][=O][O-1][C@@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][S]
|
C3(=O)CCC(C)(C)[N+](=O)[O-].[C@@H]17CCCN4C1.c18ccc5cc1.N367.C48=O.CC6.O5C
|
CNC(=O)C1(C(=O)N2C[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3N)CC(C)(C)C2)CC1
|
CNC=O)CC=O)NC[C@@H]NC=O)ccccCl)cCl)c6N)))))))))CCC)C)C6)))))))CC3
|
[C][N][C][=Branch1][C][=O][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2]
|
N15C[C@@H]7CC(C)(C)C1.c1%10ccc(Cl)c(Cl)c1N.C189CC1.C48=O.C59=O.C6%10=O.CN4.N67
|
CCc1cc(F)c(C(=O)NC[C@@H](NC(=O)COC2CC(F)(F)C2)C(C)C)c(F)c1
|
CCcccF)cC=O)NC[C@@H]NC=O)COCCCF)F)C4))))))))CC)C))))))cF)c6
|
[C][C][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring2][Ring1][O]
|
c1%10cc(F)c9c(F)c1.C7[C@@H]8C(C)C.C16CC(F)(F)C1.C4(=O)C5.C39=O.CC%10.N37.N48.O56
|
O=C(Nc1cc(O)c2ccccc2c1)Nc1cnc(Br)c(Cl)n1
|
O=CNcccO)cccccc6c%10)))))))))))NccncBr)cCl)n6
|
[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][N][C][=C][N][=C][Branch1][C][Br][C][Branch1][C][Cl][=N][Ring1][Branch2]
|
c16cc(O)c2ccccc2c1.c15cnc(Br)c(Cl)n1.O=C34.N36.N45
|
CCC[C@@H](F)C(=O)N1CC[C@H](NC(=O)CO[C@H](C)CC)[C@H](C(N)=O)C1
|
CCC[C@@H]F)C=O)NCC[C@H]NC=O)CO[C@H]C)CC)))))))[C@H]CN)=O))C6
|
[C][C][C][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][O][C@H1][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring2][Ring1][C]
|
N12CC[C@H]6[C@H]7C1.CCC[C@@H](F)C2=O.C3(=O)C4.[C@@H]5(C)CC.C7(N)=O.N36.O45
|
CC[C@@H](CC(=O)NCC1CC(SC)C1)N(C)C(=O)[C@H]1C[C@@H]1C1CCCC1
|
CC[C@@H]CC=O)NCCCCSC))C4))))))))NC)C=O)[C@H]C[C@@H]3CCCCC5
|
[C][C][C@@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][S][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1]
|
[C@H]16C[C@@H]1C1CCCC1.CC[C@H]4CC2=O.C17CC8C1.N34C.C36=O.N25.C57.S8C
|
CC(C)[C@@H]1CCN(C(=O)CC[C@@H]2C[C@H]2C)[C@H](CNC(=O)CC2COCCOC2)C1
|
CCC)[C@@H]CCNC=O)CC[C@@H]C[C@H]3C)))))))[C@H]CNC=O)CCCOCCOC7)))))))))))C6
|
[C][C][Branch1][C][C][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][O][C][C][O][C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2]
|
[C@@H]17CCN3[C@H]6C1.C19COCCOC1.C3(=O)CC8.[C@@H]18C[C@H]1C.C4(=O)C9.CC7C.C56.N45
|
C=CCCCCC(=O)N1C[C@H](O)C[C@H]1CNC(=O)c1cccnc1OCCOC
|
C=CCCCCC=O)NC[C@H]O)C[C@H]5CNC=O)ccccnc6OCCOC
|
[C][=C][C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][O][C]
|
C=CCCCCC2=O.N12C[C@H](O)C[C@H]19.c18cccnc16.C38=O.C4C5.C79.N37.O46.O5C
|
C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1C(=O)c1ccccc1O
|
C[C@@H][C@H]NC=O)CC)C)CCCC4)))))))CCCN6C=O)cccccc6O
|
[C][C@@H1][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring2][C][C][C][N][Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
C[C@@H]1[C@H]5CCCN14.c16ccccc1O.C3(=O)C7(C)C.C17CCC1.C46=O.N35
|
O=C(c1snc(Cl)c1Cl)N1C[C@H]2C[C@@H](C1)N(C(=O)CCCOC1CCOCC1)C2
|
O=CcsncCl)c5Cl))))))NC[C@H]C[C@@H]C6)NC=O)CCCOCCCOCC6)))))))))))C5
|
[O][=C][Branch1][N][C][S][N][=C][Branch1][C][Cl][C][=Ring1][=Branch1][Cl][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Branch1][P][C][=Branch1][C][=O][C][C][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][C]
|
N13C[C@H]2C[C@@H](C1)N4C2.c17snc(Cl)c1Cl.C4(=O)CCC5.C16CCOCC1.O=C37.O56
|
CC(=O)Nc1ccccc1CN1CCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C1=O
|
CC=O)Ncccccc6CNCCC=O)NCcccc[C@@H]C[C@H]3C))))o5))))))C6=O
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=Branch1][C][=O][N][Branch1][P][C][C][=C][C][=C][Branch1][#Branch1][C@@H1][C][C@H1][Ring1][Ring1][C][O][Ring1][=Branch2][C][Ring1][P][=O]
|
N16CCC(=O)N7C1=O.c15ccccc19.c18ccc%10o1.[C@@H]1%10C[C@H]1C.CC4=O.N45.C69.C78
|
COC(=O)c1cc(N2CCC(C[C@H](N)C(=O)OC)CC2)ncc1Br
|
COC=O)cccNCCCC[C@H]N)C=O)OC)))))CC6))))))ncc6Br
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring1][Br]
|
c16cc5ncc1Br.N15CCC7CC1.C7[C@H](N)C4=O.C36=O.CO3.O4C
|
COc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(N)cc2[N+](=O)[O-])C1
|
COcn[nH]cc5C=O)NC[C@H]CC[C@@H]NC=O)ccccN)cc6[N+]=O)[O-]))))))))))C5
|
[C][O][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][C]
|
c19ccc(N)cc1[N+](=O)[O-].c15n[nH]cc18.[C@H]1%10CC[C@@H]7C1.C38=O.C49=O.CO5.N36.C6%10.N47
|
CCC1(C(=O)N2CCO[C@H]3CCN(C(=O)c4csnc4C)C[C@@H]32)COC1
|
CCCC=O)NCCO[C@H]CCNC=O)ccsnc5C)))))))C[C@@H]6%10)))))))))))COC4
|
[C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][O][C@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][C][C@@H1][Ring1][=C][Ring2][Ring1][C][C][O][C][Ring2][Ring1][Branch2]
|
N15CCO[C@H]2CCN6C[C@@H]21.c18csnc1C.C179COC1.C57=O.C68=O.CC9
|
CCCC[C@H](NC(=O)C[C@@H]1CC=CCC1)C(=O)N(C)C[C@H](OC)C1CCC1
|
CCCC[C@H]NC=O)C[C@@H]CC=CCC6)))))))))C=O)NC)C[C@H]OC))CCCC4
|
[C][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C@@H1][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C][C][C][C][Ring1][Ring2]
|
CCCC[C@H]5C3=O.[C@@H]17CC=CCC1.C2(=O)C7.C6[C@H]48.C18CCC1.N36C.N25.O4C
|
COc1ccc(CN[C@@H]2CCN(c3cc(C)nc4cc(C)nn34)C2)cc1Br
|
COccccCN[C@@H]CCNcccC)ncccC)nn95)))))))))C5)))))))cc6Br
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][N][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][C][=N][C][=C][C][Branch1][C][C][=N][N][Ring1][O][Ring1][=Branch1][C][Ring1][S][C][=C][Ring2][Ring1][Branch2][Br]
|
c17cc(C)nc2cc(C)nn12.c15ccc9cc1Br.[C@@H]18CCN7C1.CO5.C69.N68
|
Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]([C@H]2C[C@@H]2NC(=O)C(C)(C)C)C1
|
CcnnC)cC)c5CCC=O)NCCC[C@H][C@H]C[C@@H]3NC=O)CC)C)C)))))))C6
|
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring1][C@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S]
|
N13CCC[C@H]([C@H]2C[C@@H]25)C1.Cc1nn(C)c(C)c16.C4(=O)C(C)(C)C.C6CC3=O.N45
|
COc1noc(C)c1COC(=O)[C@H]1C(F)(F)C12CCC2
|
COcnocC)c5COC=O)[C@H]CF)F)C3CCC4
|
[C][O][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C@H1][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch1][C][C][C][Ring1][Ring2]
|
[C@H]16C(F)(F)C12CCC2.c15noc(C)c17.C36=O.CO5.C47.O34
|
CO[C@H]1CN(C(=O)[C@](C)(F)c2ccon2)C[C@@H]1C(=O)N(C)CCCO
|
CO[C@H]CNC=O)[C@]C)F)cccon5)))))))C[C@@H]5C=O)NC)CCCO
|
[C][O][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][F][C][C][=C][O][N][=Ring1][Branch1][C][C@@H1][Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O]
|
[C@H]15CN3C[C@@H]17.C3(=O)[C@]8(C)F.c18ccon1.C6CCO.C47=O.N46C.CO5
|
COC/C(C)=C/C(=O)N1C[C@H](C)N(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1C
|
COC/CC)=C/C=O)NC[C@H]C)NC=O)ccncccnn5C))))c6)))))))C[C@H]6C
|
[C][O][C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][C][C@H1][Ring2][Ring1][Ring1][C]
|
c17cnc2c(cnn2C)c1.N14C[C@H](C)N5C[C@H]1C.C6C=8C.C=8C4=O.C57=O.CO6
|
C[C@@H]1C[C@@]1(F)C(=O)N1CC(O)(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)C1
|
C[C@@H]C[C@@]3F)C=O)NCCO)CNC=O)ccccO)c[N+]=O)[O-]))c6)))))))))C4
|
[C][C@@H1][C][C@@][Ring1][Ring1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
c17ccc(O)c([N+](=O)[O-])c1.N13CC8(O)C1.C[C@@H]1C[C@]16F.C36=O.C47=O.C58.N45
|
CCCCCCCCC(=O)NCCCOCC(C)(C)N
|
CCCCCCCCC=O)NCCCOCCC)C)N
|
[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Branch1][C][C][Branch1][C][C][N]
|
CCCCCCCCC1=O.C3C(C)(C)N.C4CC2.N14.O23
|
CCC[C@@H](C)CC(=O)N[C@H](CCOCCO)C(=O)N(C)CC1CCCCCC1
|
CCC[C@@H]C)CC=O)N[C@H]CCOCCO))))))C=O)NC)CCCCCCCC7
|
[C][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][O][C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][C][C][Ring1][#Branch1]
|
CCC[C@@H](C)CC2=O.[C@@H]6(CC4)C3=O.C18CCCCCC1.C5CO.N37C.N26.O45.C78
|
CCSC[C@H](NC(=O)c1ccnc(OC)c1)C(=O)NC[C@@H]1CCOC1
|
CCSC[C@H]NC=O)cccncOC))c6))))))))C=O)NC[C@@H]CCOC5
|
[C][C][S][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C][O][C][Ring1][Branch1]
|
c19ccnc4c1.C8[C@H]5C3=O.[C@@H]1%10CCOC1.C29=O.CC7.S78.N25.O4C.N36.C6%10
|
Cc1nc(C(=O)N[C@H]2C[C@@H]2C(=O)Nc2c(C)ncnc2C)ccc1F
|
CcncC=O)N[C@H]C[C@@H]3C=O)NccC)ncnc6C))))))))))))))ccc6F
|
[C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][=C][N][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][#Branch1][F]
|
Cc1nc7ccc1F.c15c(C)ncnc1C.[C@H]16C[C@@H]18.C37=O.C48=O.N36.N45
|
C[C@@H]1C[C@H](CNC(=O)c2cc(N)ccc2F)CN1C(=O)c1cc2ccsc2s1
|
C[C@@H]C[C@H]CNC=O)cccN)ccc6F))))))))))CN5C=O)cccccsc5s8
|
[C][C@@H1][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][F][C][N][Ring1][P][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][S][Ring1][Branch2]
|
c17cc(N)ccc1F.c16cc2ccsc2s1.C[C@@H]1C[C@H]8CN14.C37=O.C46=O.C58.N35
|
CN(C)C(=O)CCCC(=O)N1CCC[C@@H]1CCNC(=O)C1C[C@H]2CC[C@@H](C1)N2C
|
CNC)C=O)CCCC=O)NCCC[C@@H]5CCNC=O)CC[C@H]CC[C@@H]C7)N5C
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C]
|
C17C[C@H]2CC[C@@H](C1)N2C.C3(=O)CCCC4=O.N14CCC[C@@H]18.CN3C.C8C6.C57=O.N56
|
C=CC1(CC(=O)NCCC(F)(F)C(C)C)CN(C(=O)Cn2cccn2)C1
|
C=CCCC=O)NCCCF)F)CC)C))))))))CNC=O)Cncccn5)))))))C4
|
[C][=C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][C][=N][Ring1][Branch1][C][Ring2][Ring1][Branch2]
|
C5CC(F)(F)C(C)C.C=CC17CN4C1.n16cccn1.C7C3=O.C4(=O)C6.N35
|
Cc1cccc(NC(=O)[C@@H]2CCN2C(=O)CCc2cccc(O)c2)c1
|
CcccccNC=O)[C@@H]CCN4C=O)CCcccccO)c6)))))))))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2]
|
Cc1cccc5c1.c17cccc(O)c1.[C@@H]16CCN14.C4(=O)CC7.C36=O.N35
|
CCCn1cccc1C(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(OC)cnn1
|
CCCncccc5C=O)N[C@@H]C)[C@H]CCCCN6C=O)cccOC))cnn6
|
[C][C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][N][=N][Ring1][Branch2]
|
[C@H]19CCCCN13.c17cc4cnn1.n18cccc16.CCC8.C26=O.[C@@H]59C.C37=O.N25.O4C
|
CCC1(CC)CCN(C(=O)[C@@]2(C)CC23CCN(C(=O)[C@H](O)C(F)(F)F)CC3)C1
|
CCCCC))CCNC=O)[C@@]C)CC3CCNC=O)[C@H]O)CF)F)F))))CC6)))))))))C5
|
[C][C][C][Branch1][Ring1][C][C][C][C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][Ring1][Ring2][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=C][C][Ring2][Ring1][#Branch2]
|
[C@]16(C)CC12CCN5CC2.C5(=O)[C@H](O)C(F)(F)F.C178CCN4C1.C46=O.CC7.C8C
|
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