SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
Cn1ccnc1C(=O)N1C[C@@H]2[C@H]3CC[C@H](C[C@H]3NC(=O)CC[S@@+](C)[O-])[C@@H]2C1
|
Cnccnc5C=O)NC[C@@H][C@H]CC[C@H]C[C@H]6NC=O)CC[S@@+]C)[O-]))))))))[C@@H]6C9
|
[C][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C@H1][C][C][C@H1][Branch1][P][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S@@+1][Branch1][C][C][O-1][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
N14C[C@@H]2[C@H]3CC[C@H](C[C@H]36)[C@@H]2C1.C5(=O)CC[S@@+](C)[O-].Cn1ccnc17.C47=O.N56
|
CCC[C@H]1CCC[C@H]1C(=O)NCCC1(C(=O)NCC(C)(C)C(C)(C)O)CC1
|
CCC[C@H]CCC[C@H]5C=O)NCCCC=O)NCCC)C)CC)C)O))))))CC3
|
[C][C][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][Ring1][=C]
|
C5C(C)(C)C(C)(C)O.[C@H]18CCC[C@H]16.C179CC1.CCC8.C26=O.C4C9.C37=O.N24.N35
|
CO[C@H]1CCN(C(=O)N[C@@H]2COc3cccc(C)c3C2)C1(C)C
|
CO[C@H]CCNC=O)N[C@@H]COcccccC)c6C%10))))))))))))C5C)C
|
[C][O][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][O][C][Ring2][Ring1][Ring1][Branch1][C][C][C]
|
[C@@H]17COc2cccc(C)c2C1.[C@H]16CCN4C1(C)C.C45=O.CO6.N57
|
C[C@H]1CCCC[C@]1(C)C(=O)NCC1(NC(=O)c2cnc(O)s2)CCCCCC1
|
C[C@H]CCCC[C@]6C)C=O)NCCNC=O)ccncO)s5)))))))CCCCCC7
|
[C][C@H1][C][C][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][S][Ring1][=Branch1][C][C][C][C][C][C][Ring1][S]
|
C[C@H]1CCCC[C@@]18C.C169CCCCCC1.c17cnc(O)s1.C38=O.C47=O.N35.C59.N46
|
CC(=O)CCCC(=O)N1[C@@H]2CC[C@@H]1[C@H](C(=O)N(C)Cc1nncs1)CC2
|
CC=O)CCCC=O)N[C@@H]CC[C@@H]5[C@H]C=O)NC)Ccnncs5))))))))CC7
|
[C][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Ring1][Branch1][C@H1][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][P]
|
N13[C@H]2CC[C@@H]6[C@H]1CC2.CC(=O)CCCC3=O.c17nncs1.C46=O.N45C.C57
|
CC[C@H](SC)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)C2)[C@H]2CCC[C@H]12
|
CC[C@H]SC))C=O)N[C@@H]CNC=O)[C@@H]CCCC=O)C6)))))))[C@H]CCC[C@H]85
|
[C][C][C@H1][Branch1][Ring1][S][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C@H1][C][C][C][C@H1][Ring1][P][Ring1][Branch1]
|
[C@@H]16CN4[C@H]2CCC[C@H]12.[C@@H]17CCCC(=O)C1.CC[C@H]5C3=O.C47=O.S5C.N36
|
Cc1cc(C(=O)N2C[C@H](C(=O)NC(C)(C)[C@@H](C)O)[C@@H](F)C2)ccn1
|
CcccC=O)NC[C@H]C=O)NCC)C)[C@@H]C)O)))))[C@@H]F)C5))))))ccn6
|
[C][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][F][C][Ring1][#C][=C][C][=N][Ring2][Ring1][#Branch1]
|
Cc1cc7ccn1.N13C[C@H]6[C@@H](F)C1.C5(C)(C)[C@@H](C)O.C37=O.C46=O.N45
|
CCc1onc(C)c1NC(=O)c1c(Cl)ccc2ncccc12
|
CCconcC)c5NC=O)ccCl)cccncccc%106
|
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
c15c(Cl)ccc2ncccc12.c16onc(C)c14.C35=O.CC6.N34
|
COCCc1nc(-c2cc(C)c(C)nc2Br)n(C2CCSCC2)n1
|
COCCcnc-cccC)cC)nc6Br)))))))nCCCSCC6))))))n5
|
[C][O][C][C][C][N][=C][Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Br][N][Branch1][=Branch2][C][C][C][S][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2]
|
c16cc(C)c(C)nc1Br.c14nc6n5n1.C15CCSCC1.C3C4.CO3
|
COc1ccccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(Br)nc2)CC1(C)C
|
COcccccc6S=O)=O)N[C@@H]CCNCccccBr)nc6)))))))CC6C)C
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][C][Ring1][=C][Branch1][C][C][C]
|
c13ccccc1S5(=O)=O.[C@@H]16CCN4CC1(C)C.c17ccc(Br)nc1.CO3.N56.C47
|
C=CCO[C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CNc1nccc(OC)n1
|
C=CCO[C@H]C)C=O)NC[C@@H]C[C@H]F)CN5C=O)CNcncccOC))n6
|
[C][=C][C][O][C@H1][Branch1][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][N][C][=N][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2]
|
[C@@H]1%10C[C@H](F)CN13.c19nccc6n1.[C@@H]5(C)C2=O.C3(=O)C8.C=CC4.O45.N27.C7%10.N89.O6C
|
C#CCCOCC(=O)N1CCC(CCCNC(=O)c2ccncc2)CC1
|
C#CCCOCC=O)NCCCCCCNC=O)cccncc6)))))))))))CC6
|
[C][#C][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
N13CCC9CC1.c18ccncc1.C#CCC5.C6C3=O.C9CC7.C48=O.O56.N47
|
CC#CC[C@@H](NC(=O)C1CC(CC)C1)C(=O)N[C@@H](CCO)C1CC1
|
CC#CC[C@@H]NC=O)CCCCC))C4))))))C=O)N[C@@H]CCO)))CCC3
|
[C][C][#C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][O][C][C][C][Ring1][Ring1]
|
CC#CC[C@@H]4C3=O.C16CC7C1.[C@@H]58CCO.C26=O.C18CC1.N24.C7C.N35
|
CCOC(=O)C(C)(C)C(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1
|
CCOC=O)CC)C)C=O)NC[C@H]C[C@@H]C6)N4C=O)[C@@H]C[C@@H]3ccccBr)cc6
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
C3(=O)C(C)(C)C4=O.N14C[C@H]2C[C@@H](C1)N25.c18ccc(Br)cc1.[C@@H]17C[C@@H]18.C57=O.CC6.O36
|
Cc1nc(C(=O)N[C@H]2[C@@H]3CN(C(=O)CSCc4cscn4)C[C@@H]32)ccc1[N+](=O)[O-]
|
CcncC=O)N[C@H][C@@H]CNC=O)CSCccscn5)))))))))C[C@@H]56))))))))ccc6[N+]=O)[O-]
|
[C][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][C][=C][S][C][=N][Ring1][Branch1][C][C@@H1][Ring1][#C][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]
|
Cc1nc%10ccc1[N+](=O)[O-].[C@@H]19[C@H]2CN6C[C@@H]12.c1%11cscn1.C6(=O)C7.C5%10=O.N59.S78.C8%11
|
C=C1CC(CC(=O)NC[C@H](F)C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1
|
C=CCCCC=O)NC[C@H]F)CCCNC=O)cccO)ncO)c6)))))))CC6)))))))))))C4
|
[C][=C][C][C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][S][C][Ring2][Ring1][O]
|
c17cc(O)nc(O)c1.C19CCN5CC1.C=C1CC8C1.C8C4=O.C6[C@@H]9F.C57=O.N46
|
CC[C@H](C)CCC(=O)NCC[C@@H](F)Cn1cc([C@@H]2CCN(C)C2)nn1
|
CC[C@H]C)CCC=O)NCC[C@@H]F)Cncc[C@@H]CCNC)C5)))))nn5
|
[C][C][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][F][C][N][C][=C][Branch1][O][C@@H1][C][C][N][Branch1][C][C][C][Ring1][=Branch1][N][=N][Ring1][O]
|
CC[C@H](C)CCC3=O.C4C[C@@H](F)C5.n15cc6nn1.[C@@H]16CCN(C)C1.N34
|
C[C@H]1CN(C(=O)CC[S@+](C)[O-])CCC12CCN(C(=O)c1ccc(N)cc1Cl)CC2
|
C[C@H]CNC=O)CC[S@+]C)[O-])))))CCC6CCNC=O)ccccN)cc6Cl))))))))CC6
|
[C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][S@+1][Branch1][C][C][O-1][C][C][C][Ring1][=N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S]
|
C[C@H]1CN3CCC12CCN4CC2.c15ccc(N)cc1Cl.C3(=O)CC[S@+](C)[O-].C45=O
|
CC(C)=CC(=O)N1C[C@@H](C)CN(C(=O)c2cnccn2)C[C@@H]1C
|
CCC)=CC=O)NC[C@@H]C)CNC=O)ccnccn6)))))))C[C@@H]7C
|
[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C@@H1][Ring1][S][C]
|
N13C[C@@H](C)CN4C[C@@H]1C.c15cnccn1.C=6C3=O.CC=6C.C45=O
|
CCN(C)CCC(=O)N[C@H]1CN(C(=O)C=Cc2ccncn2)CC(C)(C)C1
|
CCNC)CCC=O)N[C@H]CNC=O)C=Ccccncn6)))))))))CCC)C)C6
|
[C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
|
[C@H]17CN4CC(C)(C)C1.C=8c1ccncn1.C6CC3=O.C4(=O)C=8.N56C.CC5.N37
|
C[C@@H]1C[C@H](NC(=O)CC2CC(=O)NC(=O)C2)CCN1C(=O)c1ccoc1Cl
|
C[C@@H]C[C@H]NC=O)CCCC=O)NC=O)C6)))))))))CCN6C=O)cccoc5Cl
|
[C][C@@H1][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][Branch2][C][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][Cl]
|
C[C@@H]1C[C@H]5CCN14.C17CC(=O)NC(=O)C1.c16ccoc1Cl.C3(=O)C7.C46=O.N35
|
Cc1nscc1CC(=O)N1CCO[C@@H](C(=O)NCC2(N(C)C)CC2)CC1
|
Ccnscc5CC=O)NCCO[C@@H]C=O)NCCNC)C))CC3))))))CC7
|
[C][C][=N][S][C][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P]
|
N13CCO[C@@H]7CC1.Cc1nscc19.C9C3=O.C168CC1.C47=O.N6(C)C.N45.C58
|
COC[C@@](C)(OC)C(=O)NCCC(C)(C)NC(=O)c1ncn2c1CCCCC2
|
COC[C@@]C)OC))C=O)NCCCC)C)NC=O)cncnc5CCCCC7
|
[C][O][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1]
|
c19ncn2c1CCCCC2.C5[C@]6(C)C3=O.C7CC8(C)C.C49=O.CO5.O6C.N37.N48
|
C[C@H](CN=c1[nH]c2ccccc2o1)NC(=O)[C@H]1CC1(F)F
|
C[C@H]CN=c[nH]cccccc6o9)))))))))))NC=O)[C@H]CC3F)F
|
[C][C@H1][Branch1][S][C][N][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][Branch1][C][F][F]
|
C[C@@H]4CN=c1[nH]c2ccccc2o1.[C@H]15CC1(F)F.C35=O.N34
|
COc1ccc(C(=O)NCCN2C[C@H](C)CC[C@@H]2C)cc1S(=O)(=O)NC(C)(C)C
|
COccccC=O)NCCNC[C@H]C)CC[C@@H]6C)))))))))))cc6S=O)=O)NCC)C)C
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C]
|
c14ccc9cc1S8(=O)=O.N16C[C@H](C)CC[C@@H]1C.C7(C)(C)C.C39=O.C5C6.CO4.N35.N78
|
O=C(N[C@@H]1CCC[C@@H]1CNC(=O)[C@@]12CC[C@@H](CC1=O)C2)c1cccc(C(F)F)c1
|
O=CN[C@@H]CCC[C@@H]5CNC=O)[C@@]CC[C@@H]CC6=O)))C5))))))))))))))cccccCF)F))c6
|
[O][=C][Branch2][Ring1][=N][N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@][C][C][C@@H1][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2]
|
[C@@]127CC[C@@H](CC1=O)C2.c18cccc%10c1.[C@@H]16CCC[C@@H]19.O=C38.C47=O.C%10(F)F.N36.C59.N45
|
Cc1csc([C@@H]2CN(N3C[C@@H](C)[C@@H](F)C3)CCO2)n1
|
Cccsc[C@@H]CNNC[C@@H]C)[C@@H]F)C5)))))CCO6))))))n5
|
[C][C][=C][S][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][=C][N][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][F][C][Ring1][#Branch1][C][C][O][Ring1][=N][=N][Ring2][Ring1][C]
|
[C@@H]14CN(N2C[C@@H](C)[C@@H](F)C2)CCO1.Cc1csc4n1
|
O=C(c1ccc(-c2ccc(Cl)cc2)c(F)c1)N1CC2CCC1(CO)CC2
|
O=Ccccc-ccccCl)cc6))))))cF)c6))))))NCCCCC6CO))CC6
|
[O][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][Ring1][C][O][C][C][Ring1][Branch2]
|
N13CC2CCC15CC2.c14ccc6c(F)c1.c16ccc(Cl)cc1.O=C34.C5O
|
CCN1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)c3csnc3Cl)CCN2C)C1
|
CCNCC[C@@H]C=O)NC[C@H]CNC=O)ccsnc5Cl)))))))CCN6C))))))))))C5
|
[C][C][N][C][C][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][Cl][C][C][N][Ring1][=C][C][C][Ring2][Ring1][Branch2]
|
[C@H]1%10CN5CCN1C.N16CC[C@@H]8C1.c19csnc1Cl.C48=O.C59=O.CC6.N47.C7%10
|
CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1
|
CCC)OC[C@@H]C[C@@]36C=O)NccccOcnnccccccc%106)))))))))))cCl)c6
|
[C][C][Branch1][C][C][O][C][C@@H1][C][C@@][Ring1][Ring1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C]
|
c15nncc2ccccc12.CC1(C)OC[C@@H]2C[C@@]218.c17ccc6c(Cl)c1.C48=O.N47.O56
|
CN(CCNC(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)[C@H](O)CC1CC1
|
CNCCNC=O)C[C@@H]C[C@H]3CCC3)))))))))))C=O)[C@H]O)CCCC3
|
[C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][C][Ring1][Ring1]
|
[C@@H]16C[C@H]1C1CC1.C3(=O)[C@H](O)C7.C2(=O)C6.CN34.C4C5.C17CC1.N25
|
O=C1CCC[C@H](C(=O)N2C[C@H]3CC[C@]3(CC(=O)NCc3cc(O)ccc3F)C2)C1
|
O=CCCC[C@H]C=O)NC[C@H]CC[C@]4CC=O)NCcccO)ccc6F)))))))))))C7))))))))C6
|
[O][=C][C][C][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C@][Ring1][Ring2][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][N]
|
N14C[C@H]2CC[C@]28C1.c19cc(O)ccc1F.O=C1CCC[C@H]7C1.C8C5=O.C47=O.N56.C69
|
CN1CCOC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(F)CC2)CC2(CCC2)C1
|
CNCCOC[C@@H]6C=O)N[C@@H]CNC=O)CF)CC3))))CCCCC4)))C6
|
[C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#C]
|
[C@@H]15CN4CC2(CCC2)C1.CN1CCOC[C@@H]16.C17(F)CC1.C36=O.C47=O.N35
|
COCc1ccccc1C(=O)N(C)[C@@H]1CCN(C(=O)c2cscc2C)C[C@H]1C
|
COCcccccc6C=O)NC)[C@@H]CCNC=O)ccscc5C)))))))C[C@H]6C
|
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][C][C@H1][Ring1][=C][C]
|
[C@@H]16CCN4C[C@H]1C.c19ccccc17.c18cscc1C.C37=O.N36C.C48=O.CO5.C59
|
Cc1nc(C(C)(C)C)c(C(=O)N2C[C@@H](C(=O)O)C[C@H](c3ccccc3)C2)s1
|
CcncCC)C)C))cC=O)NC[C@@H]C=O)O))C[C@H]cccccc6))))))C6)))))))s5
|
[C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][S][Ring2][Ring1][#Branch2]
|
N14C[C@@H]6C[C@H]8C1.Cc1nc7c5s1.c18ccccc1.C7(C)(C)C.C45=O.C6(=O)O
|
CC[C@@H](C(=O)N1CC[C@H]2C[C@H]1C(=O)O2)N(C)C(=O)C[C@H]1CCCNC1=O
|
CC[C@@H]C=O)NCC[C@H]C[C@H]6C=O)O5)))))))))NC)C=O)C[C@H]CCCNC6=O
|
[C][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][C][C][N][C][Ring1][=Branch1][=O]
|
N13CC[C@H]2C[C@H]1C(=O)O2.[C@H]16CCCNC1=O.CC[C@H]5C3=O.C4(=O)C6.N45C
|
CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C
|
CCC[C@H]NCC)=O)))C=O)NC[C@@H]C[C@H]CC[C@@H]C7)N5C=O)CF)=CC)C
|
[C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][F][=C][Branch1][C][C][C]
|
[C@@H]19C[C@H]2CC[C@@H](C1)N25.CCC[C@H]6C4=O.C5(=O)C=8F.C3(C)=O.C=8(C)C.N36.N47.C79
|
C#CCCN(C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1csc(C(F)F)n1
|
C#CCCNC)CC=O)N[C@H]CCOC[C@H]6NC=O)ccscCF)F))n5
|
[C][#C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring1][Branch2]
|
[C@H]16CCOC[C@H]17.c18csc9n1.C#CCC4.C5C2=O.N45C.C38=O.C9(F)F.N26.N37
|
CC(Cl)(Cl)C(=O)N[C@H]1CCN(C(=O)C(C)(C)n2cc(-c3cccs3)nn2)C1
|
CCCl)Cl)C=O)N[C@H]CCNC=O)CC)C)ncc-ccccs5)))))nn5)))))))C5
|
[C][C][Branch1][C][Cl][Branch1][C][Cl][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
CC(Cl)(Cl)C4=O.[C@H]16CCN5C1.C5(=O)C7(C)C.n17cc8nn1.c18cccs1.N46
|
CC[C@@](C)(CNC(=O)c1cc(C)ccc1C)C(=O)N[C@@H]1CNC(=O)C1
|
CC[C@@]C)CNC=O)cccC)ccc6C))))))))))C=O)N[C@@H]CNC=O)C5
|
[C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1]
|
CC[C@@](C)(C4)C3=O.c16cc(C)ccc1C.[C@@H]15CNC(=O)C1.C26=O.N24.N35
|
CC(=O)N(C)CCC(=O)N[C@@H]1C[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC2CC2)C1
|
CC=O)NC)CCC=O)N[C@@H]C[C@@H]3CNC=O)[C@H]CC=O)NCCCC3))))C5
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2]
|
[C@H]1%10CC(=O)N%11C1.C7CC5=O.[C@@H]19C[C@@H]1%12.CC3=O.N37C.C6%10=O.C14CC1.N59.C8%12.N68.C%114
|
C#CCOCCOCC(=O)N(C)[C@H](C)CC(=O)N[C@@H](CC)c1nn[nH]n1
|
C#CCOCCOCC=O)NC)[C@H]C)CC=O)N[C@@H]CC))cnn[nH]n5
|
[C][#C][C][O][C][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][N][=N][NH1][N][=Ring1][Branch1]
|
[C@@H]8(C)CC3=O.c1%10nn[nH]n1.C7C2=O.[C@@H]9%10CC.C#CC4.C5C6.N28C.O45.O67.N39
|
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)C23CC3)cc1C
|
C#CccccC=O)NCC[C@H]NC=O)cncCl)cCC))[nH]5)))))))C5CC3))))))))cc6C
|
[C][#C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][C][NH1][Ring1][Branch2][C][Ring1][S][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][C]
|
C#Cc1ccc8cc1C.N14CC[C@H]6C12CC2.c17nc(Cl)c9[nH]1.C48=O.C57=O.N56.C9C
|
Cc1cc(C(=O)N[C@@H]2CC[C@H]2NC(=O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cs1
|
CcccC=O)N[C@@H]CC[C@H]4NC=O)CS=O)=O)NCC)C)C))))CCC4))))))))))))cs5
|
[C][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][N][=C][S][Ring2][Ring1][O]
|
C19(S6(=O)=O)CCC1.Cc1cc%10cs1.[C@@H]17CC[C@H]18.C5(C)(C)C.C3%10=O.C49=O.N37.N48.N56
|
CC(C)=C(C)C(=O)N[C@@H]1CN(C(=O)c2ccc(CO)cc2)CC[C@@H]1C
|
CCC)=CC)C=O)N[C@@H]CNC=O)ccccCO))cc6)))))))CC[C@@H]6C
|
[C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][C][C@@H1][Ring1][S][C]
|
[C@@H]15CN4CC[C@@H]1C.c16ccc8cc1.C=7(C)C3=O.CC=7C.C46=O.N35.C8O
|
O=C(C1=NO[C@H]2COC[C@@H]12)N1CCCC[C@@H](C(=O)N2CCC(F)(CF)CC2)C1
|
O=CC=NO[C@H]COC[C@@H]85))))))))NCCCC[C@@H]C=O)NCCCF)CF))CC6)))))))C7
|
[O][=C][Branch1][=N][C][=N][O][C@H1][C][O][C][C@@H1][Ring1][Branch2][Ring1][Branch1][N][C][C][C][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][Ring1][C][F][C][C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
O=C3C1=NO[C@H]2COC[C@@H]12.N13CCCC[C@@H]5C1.N14CCC6(F)CC1.C45=O.C6F
|
Cc1c(F)cccc1C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cnc2[nH]nnc2c1
|
CccF)cccc6C=O)NC)C[C@H]O)CNC)C=O)ccnc[nH]nnc5c9
|
[C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
c18cnc2[nH]nnc2c1.Cc1c7cccc1F.C5[C@H](O)C6.C37=O.N35C.N46C.C48=O
|
CCOc1cc(C)nc(N(Cc2cccc(Br)c2Cl)[C@@H]2CNC[C@H]2O)n1
|
CCOcccC)ncNCcccccBr)c6Cl))))))))[C@@H]CNC[C@H]5O)))))))n6
|
[C][C][O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Cl][C@@H1][C][N][C][C@H1][Ring1][Branch1][O][=N][Ring2][Ring1][#Branch1]
|
c14cc(C)nc6n1.c18cccc(Br)c1Cl.[C@@H]17CNC[C@H]1O.N567.CC3.O34.C58
|
O=C(Cc1ccn(C(F)F)n1)N[C@@H]1CCN(C(=O)c2cnc3sccn3c2=O)C1
|
O=CCcccnCF)F))n5))))))N[C@@H]CCNC=O)ccncsccn5c9=O)))))))))))C5
|
[O][=C][Branch1][S][C][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][N][=Ring1][Branch2][N][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O][C][Ring1][P]
|
c17cnc2sccn2c1=O.c19ccn8n1.[C@@H]16CCN5C1.O=C4C9.C8(F)F.C57=O.N46
|
CN(C(=O)Cc1ccccc1N1CCCC1)C1CN(C(=O)C2(C(N)=O)CCC2)C1
|
CNC=O)Ccccccc6NCCCC5)))))))))))))CCNC=O)CCN)=O))CCC4)))))C4
|
[C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][#Branch1][C][Ring1][=N]
|
c19ccccc15.N15CCCC1.C16CN4C1.C178CCC1.C3(=O)C9.CN36.C47=O.C8(N)=O
|
Cc1ccc(F)c(C(=O)NC[C@H]2CCC[C@H](NC(=O)c3cccc(F)c3Cl)C2)c1
|
CccccF)cC=O)NC[C@H]CCC[C@H]NC=O)cccccF)c6Cl)))))))))C6)))))))))c6
|
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl][C][Ring1][P][=C][Ring2][Ring1][N]
|
Cc1ccc(F)c8c1.c19cccc(F)c1Cl.[C@H]1%10CCC[C@H]7C1.C48=O.C59=O.N46.C6%10.N57
|
O=C(Cc1ccc2ccccc2c1)N[C@@H]1CC[C@H]1NC(=O)c1cc2n(n1)CCO2
|
O=CCccccccccc6c%10)))))))))))N[C@@H]CC[C@H]4NC=O)cccnn5)CCO5
|
[O][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][O][Ring1][=Branch1]
|
c18ccc2ccccc2c1.c17cc2n(n1)CCO2.[C@@H]15CC[C@H]16.O=C3C8.C47=O.N35.N46
|
C[C@@]1(C(=O)N2CC=C[C@H](NC(=O)c3cn4cc[nH]c(=O)c4n3)C2)CCC(=O)N1
|
C[C@@]C=O)NCC=C[C@H]NC=O)ccncc[nH]c=O)c6n9)))))))))))C6)))))))CCC=O)N5
|
[C][C@@][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][C][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][O]
|
c19cn2cc[nH]c(=O)c2n1.C[C@@]18CCC(=O)N1.N15CC=C[C@H]7C1.C58=O.C69=O.N67
|
O=C(NCCCCn1cc(COCCO)nn1)C1(c2cccc(Cl)n2)CC1
|
O=CNCCCCnccCOCCO)))))nn5))))))))))CcccccCl)n6))))))CC3
|
[O][=C][Branch2][Ring1][Ring2][N][C][C][C][C][N][C][=C][Branch1][=Branch1][C][O][C][C][O][N][=N][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][#Branch2]
|
c1%10cccc(Cl)n1.n18cc9nn1.C6CCC8.C17%10CC1.O=C37.C5CO.N36.C49.O45
|
C[C@H]1C[C@@H](CCNC(=O)c2n[nH]cc2Cl)CCN1C(=O)Cc1ccc(F)c(Cl)c1
|
C[C@H]C[C@@H]CCNC=O)cn[nH]cc5Cl))))))))))CCN6C=O)CccccF)cCl)c6
|
[C][C@H1][C][C@@H1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][Cl][C][C][N][Ring1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
C[C@H]1C[C@@H]7CCN14.c18ccc(F)c(Cl)c1.c16n[nH]cc1Cl.C4(=O)C8.C7C5.C36=O.N35
|
C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CSc2nc(O)cc(C)c2C#N)C1
|
C=CCO[C@H]C)C=O)NCC[C@H]CNC=O)CScncO)ccC)c6C#N)))))))))))))C5
|
[C][=C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][C][Ring2][Ring1][Branch1]
|
c1%10nc(O)cc(C)c1C#N.N13CC[C@H]9C1.[C@@H]6(C)C3=O.C4(=O)C8.C=CC5.O56.C79.N47.S8%10
|
CS(=O)(=O)NCCC(=O)N1[C@H]2CC[C@@H]1[C@@H](F)[C@H](NC(=O)c1nccnc1N)C2
|
CS=O)=O)NCCC=O)N[C@H]CC[C@@H]5[C@@H]F)[C@H]NC=O)cnccnc6N)))))))))C7
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C@@H1][Branch1][C][F][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][Ring2][Ring1][C]
|
N13[C@H]2CC[C@@H]1[C@@H](F)[C@H]7C2.c18nccnc1N.C5CC3=O.CS6(=O)=O.C48=O.N56.N47
|
CC(=O)CCC[C@@H](C)C(=O)N1CCC[C@@H]1CCNC(=O)[C@H]1CCCN1C(C)C
|
CC=O)CCC[C@@H]C)C=O)NCCC[C@@H]5CCNC=O)[C@H]CCCN5CC)C
|
[C][C][=Branch1][C][=O][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][C]
|
CC(=O)CCC[C@@H](C)C2=O.N12CCC[C@@H]17.[C@H]16CCCN15.C7C4.C36=O.C5(C)C.N34
|
CCOCC(=O)NCC[C@@H]1CSCCN1C(=O)c1ccc2c(c1)CCC2(F)F
|
CCOCC=O)NCC[C@@H]CSCCN6C=O)cccccc6)CCC5F)F
|
[C][C][O][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][S][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][Branch1][C][F][F]
|
c18ccc2c(c1)CCC2(F)F.[C@@H]19CSCCN14.C6C3=O.C7C9.C48=O.CC5.O56.N37
|
CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](O)CN(C)C(=O)C(C)C)C1
|
CC=O)NCC[C@]C)C=O)NC)C[C@@H]O)CNC)C=O)CC)C)))))))))C5
|
[C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1]
|
N12CC[C@@]7(C)C1.C5[C@@H](O)C6.C4(=O)C(C)C.CC2=O.C37=O.N35C.N46C
|
CN(C)CCCOCC(=O)N[C@H]1[C@@H]2CN(C(=O)CCCCCC#N)CC[C@@H]21
|
CNC)CCCOCC=O)N[C@H][C@@H]CNC=O)CCCCCC#N))))))))CC[C@@H]67
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][#N][C][C][C@@H1][Ring1][#C][Ring1][S]
|
C4(=O)CCCCCC#N.[C@@H]18[C@H]2CCN4C[C@@H]12.C7CC5.C6C3=O.CN7C.O56.N38
|
COc1cc(C(=O)NC[C@H](C)CN(C)C(=O)[C@H]2C[C@H](SC)C2)cc2nc(O)[nH]c12
|
COcccC=O)NC[C@H]C)CNC)C=O)[C@H]C[C@H]SC))C4)))))))))))ccncO)[nH]c95
|
[C][O][C][=C][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@H1][C][C@H1][Branch1][Ring1][S][C][C][Ring1][=Branch1][=C][C][N][=C][Branch1][C][O][NH1][C][Ring2][Ring1][O][=Ring1][=Branch1]
|
c15cc9cc2nc(O)[nH]c12.C6[C@H](C)C7.[C@H]18C[C@H]%10C1.C39=O.N47C.C48=O.CO5.N36.S%10C
|
CCN(CCCNC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)CCc1cccnc1Cl
|
CCNCCCNC=O)Cncc[N+]=O)[O-]))cn5)))))))))))C=O)CCccccnc6Cl
|
[C][C][N][Branch2][Ring1][Branch2][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]
|
n17cc([N+](=O)[O-])cn1.c18cccnc1Cl.C3(=O)CC8.C5CC6.C2(=O)C7.N345.CC4.N26
|
C[C@H](N=c1[nH]c(=NCC[C@H]2CC2(Cl)Cl)[nH]c2c(F)cccc12)c1cccc(Br)n1
|
C[C@H]N=c[nH]c=NCC[C@H]CC3Cl)Cl)))))))[nH]ccF)cccc%106)))))))))))cccccBr)n6
|
[C][C@H1][Branch2][Ring2][C][N][=C][NH1][C][=Branch1][=N][=N][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1]
|
C[C@@H]3N=c1[nH]c(=NCC4)[nH]c2c(F)cccc12.c13cccc(Br)n1.[C@H]14CC1(Cl)Cl
|
COc1ccc(C)c(C(=O)NC[C@H]2CCN(C(=O)[C@@H](C)C3CCCC3)C23CC3)n1
|
COccccC)cC=O)NC[C@H]CCNC=O)[C@@H]C)CCCCC5)))))))C5CC3))))))))))n6
|
[C][O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C][C][C][Ring1][Ring1][=N][Ring2][Ring1][O]
|
c16ccc(C)c8n1.[C@H]19CCN5C12CC2.C5(=O)[C@H]%10C.C1%10CCCC1.C48=O.CO6.N47.C79
|
COC[C@]1(C)C[C@H](NC(=O)c2nnc(S)n2C)CN1C(=O)CN1CC(C)C1
|
COC[C@]C)C[C@H]NC=O)cnncS)n5C))))))))CN5C=O)CNCCC)C4
|
[C][O][C][C@][Branch1][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][C][N][Ring1][S][C][=Branch1][C][=O][C][N][C][C][Branch1][C][C][C][Ring1][Branch1]
|
[C@@]19(C)C[C@H]7CN14.c18nnc(S)n1C.N16CC(C)C1.C4(=O)C6.C38=O.CO5.C59.N37
|
CC1(C)C[C@]1(Cl)C(=O)NC[C@H]1CN(C(=O)Cc2ccc(CO)cc2)CCO1
|
CCC)C[C@]3Cl)C=O)NC[C@H]CNC=O)CccccCO))cc6))))))))CCO6
|
[C][C][Branch1][C][C][C][C@][Ring1][Ring2][Branch1][C][Cl][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][C][O][Ring1][P]
|
[C@H]17CN4CCO1.c18ccc9cc1.CC1(C)C[C@@]16Cl.C4(=O)C8.C36=O.N35.C57.C9O
|
C[C@@H](O)C(=O)N1CCC(N(C)C(=O)CCc2ccc(Br)nc2)CC1
|
C[C@@H]O)C=O)NCCCNC)C=O)CCccccBr)nc6))))))))))CC6
|
[C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1]
|
N13CCC5CC1.c16ccc(Br)nc1.C[C@@H](O)C3=O.C4(=O)CC6.N45C
|
CC[C@@H](C)[C@@H](O)C(=O)N1CCC(CC(=O)NCC(C)(C)C(N)=O)CC1
|
CC[C@@H]C)[C@@H]O)C=O)NCCCCC=O)NCCC)C)CN)=O)))))))CC6
|
[C][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][N][=O][C][C][Ring1][P]
|
CC[C@@H](C)[C@@H](O)C2=O.N12CCC5CC1.C4C(C)(C)C(N)=O.C5C3=O.N34
|
CC(C)CCCCC(=O)N1CCC[C@@H](N(CCO)C(=O)COC2(C)CCC2)C1
|
CCC)CCCCC=O)NCCC[C@@H]NCCO)))C=O)COCC)CCC4))))))))C6
|
[C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][O][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring1]
|
CC(C)CCCCC3=O.N13CCC[C@@H]8C1.C16(C)CCC1.C4(=O)C5.N478.C7CO.O56
|
COC(=O)CCCCCNC(=O)Cc1csc(NC(=O)Cc2nc(Cl)cs2)n1
|
COC=O)CCCCCNC=O)CccscNC=O)CcncCl)cs5))))))))n5
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=N][C][Branch1][C][Cl][=C][S][Ring1][=Branch1][=N][Ring1][#C]
|
C3(=O)CCCCC6.c18csc7n1.c19nc(Cl)cs1.C4(=O)C8.C5(=O)C9.CO3.N46.N57
|
CNc1nc(C)ccc1C(=O)N1CCC([C@](C)(O)CNC(=O)CC[S@@+](C)[O-])CC1
|
CNcncC)ccc6C=O)NCCC[C@]C)O)CNC=O)CC[S@@+]C)[O-]))))))))CC6
|
[C][N][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C@][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][S@@+1][Branch1][C][C][O-1][C][C][Ring2][Ring1][C]
|
c15nc(C)ccc16.N12CCC7CC1.C3(=O)CC[S@@+](C)[O-].[C@]7(C)(O)C4.C26=O.CN5.N34
|
CC(C)(CCNC(=O)c1cc2nc(Cl)ccc2o1)NC(=O)C1=CCCCO1
|
CCC)CCNC=O)cccncCl)ccc6o9)))))))))))))NC=O)C=CCCCO6
|
[C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][C][C][O][Ring1][=Branch1]
|
c17cc2nc(Cl)ccc2o1.C4(=O)C1=CCCCO1.CC5(C)CC6.C37=O.N36.N45
|
COCCCOCC(=O)NCc1cnn(C)c1C(=O)NC1CC(C)(C(=O)OC)C1
|
COCCCOCC=O)NCccnnC)c5C=O)NCCCC)C=O)OC)))C4
|
[C][O][C][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2]
|
c14cnn(C)c1%12.C1%11CC3(C)C1.C7CC8.C9C5=O.C6%12=O.C23=O.CO7.O89.N5%10.C%104.N6%11.O2C
|
C#C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H](C)CCN2C(=O)C=CC2CCCC2)C1
|
C#C[C@H]CCC[C@@H]CNC=O)[C@@H]C[C@H]C)CCN6C=O)C=CCCCCC5)))))))))))))))))C6
|
[C][#C][C@H1][C][C][C][C@@H1][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
|
C#C[C@H]1CCC[C@@H]8C1.[C@@H]16C[C@H](C)CCN14.C=7C1CCCC1.C4(=O)C=7.C36=O.C58.N35
|
C[C@@H](c1cn([C@H]2C[C@H](C(=O)N[C@H](CN(C)C)C(=O)O)C2)nn1)N(C)C
|
C[C@@H]ccn[C@H]C[C@H]C=O)N[C@H]CNC)C)))C=O)O)))))C4))))nn5)))))NC)C
|
[C][C@@H1][Branch2][Ring2][Branch2][C][=C][N][Branch2][Ring1][=N][C@H1][C][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Ring1][#C][N][=N][Ring2][Ring1][Ring2][N][Branch1][C][C][C]
|
c18cn9nn1.[C@@H]5(C6)C(=O)O.[C@H]19C[C@H]7C1.C[C@H]48.C37=O.N6(C)C.N4(C)C.N35
|
CCc1ccc(C(=O)N2CCN(c3ccc(C(=O)N(C)C4CC4)cn3)CC2)cc1
|
CCccccC=O)NCCNccccC=O)NC)CCC3)))))cn6))))))CC6)))))))cc6
|
[C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O]
|
c1%11ccc9cc1.N15CCN7CC1.c17ccc%10cn1.C59=O.C6%10=O.N68C.C18CC1.CC%11
|
CCCCC[C@@H](O)C(=O)N1CC(O)(CN(C)C(=O)Cc2ccc(OC)c(O)c2)C1
|
CCCCC[C@@H]O)C=O)NCCO)CNC)C=O)CccccOC))cO)c6))))))))))C4
|
[C][C][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2]
|
CCCCC[C@@H](O)C3=O.c18ccc5c(O)c1.N13CC7(O)C1.C4(=O)C8.N46C.C67.O5C
|
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@](C)(CO)CNC(=O)C1CC1
|
CCC)C)OC=O)NC[C@@H]O)C[C@H]5C=O)N[C@]C)CO))CNC=O)CCC3
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
N13C[C@@H](O)C[C@H]19.[C@@]7(C)(C8)CO.CC6(C)C.C23=O.C49=O.C5%10=O.C1%10CC1.O26.N47.N58
|
C#CC(C)(C)N(C(=O)[C@H]1CCC[C@H]1NC(=O)c1cnnc(O)c1)C1CC1
|
C#CCC)C)NC=O)[C@H]CCC[C@H]5NC=O)ccnncO)c6))))))))))))))CCC3
|
[C][#C][C][Branch1][C][C][Branch1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
c18cnnc(O)c1.[C@H]17CCC[C@H]16.C#CC4(C)C.N245.C27=O.C38=O.C15CC1.N36
|
CC1CCN(C(=O)C(=O)N2CC(CS(=O)(=O)C(F)(F)F)C2)CC1
|
CCCCNC=O)C=O)NCCCS=O)=O)CF)F)F))))C4))))))CC6
|
[C][C][C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][N][C][C][Ring2][Ring1][=Branch1]
|
C5S(=O)(=O)C(F)(F)F.CC1CCN3CC1.C3(=O)C4=O.N14CC5C1
|
O=C(Cn1cnc2c(N3CC[C@@H]4NC(=O)OC[C@H]4C3)ncnc21)NCCO
|
O=CCncnccNCC[C@@H]NC=O)OC[C@H]6C%10))))))))))ncnc69))))))))))NCCO
|
[O][=C][Branch2][Ring2][Ring2][C][N][C][=N][C][=C][Branch2][Ring1][C][N][C][C][C@@H1][N][C][=Branch1][C][=O][O][C][C@H1][Ring1][#Branch1][C][Ring1][O][N][=C][N][=C][Ring1][P][Ring2][Ring1][Ring2][N][C][C][O]
|
N17CC[C@@H]2NC(=O)OC[C@H]2C1.n18cnc2c7ncnc21.O=C5C8.C6CO.N56
|
CON1C[C@H](C(=O)NCc2cn(C3CCN(C(=O)[C@@H]4C[C@H]4F)CC3)nn2)CC1=O
|
CONC[C@H]C=O)NCccnCCCNC=O)[C@@H]C[C@H]3F)))))CC6))))))nn5))))))))CC5=O
|
[C][O][N][C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][F][C][C][Ring1][N][N][=N][Ring1][P][C][C][Ring2][Ring1][#Branch2][=O]
|
CON1C[C@H]8CC1=O.C1%11CCN6CC1.c1%10cn%11nn1.[C@@H]19C[C@H]1F.C58=O.C69=O.N57.C7%10
|
O=C(NCCN1CC[C@H](O)C1)c1ccn(CCNC(=O)c2ccc(Cl)cc2)c1
|
O=CNCCNCC[C@H]O)C5))))))))cccnCCNC=O)ccccCl)cc6))))))))))c5
|
[O][=C][Branch1][=C][N][C][C][N][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][P]
|
c19ccc(Cl)cc1.N16CC[C@H](O)C1.c18ccn%10c1.O=C38.C5C6.C%10C7.C49=O.N35.N47
|
CC(C)n1cncc1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c3nccc2-3)C[C@H]1C
|
CCC)ncncc5C=O)N[C@@H]CNC=O)ccc[nH]cnccc9-5))))))))))C[C@H]5C
|
[C][C][Branch1][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][NH1][C][=N][C][=C][C][=Ring1][=Branch2][Ring1][Branch1][C][C@H1][Ring1][S][C]
|
c18cc[nH]c2nccc1-2.[C@@H]16CN5C[C@H]1C.n19cncc17.CC9C.C47=O.C58=O.N46
|
C=C=CCC(=O)N[C@H](C)CCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC
|
C=C=CCC=O)N[C@H]C)CCNC)C=O)[C@@H]NC=O)OCC)C)C)))))[C@@H]C)CC
|
[C][=C][=C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C]
|
C3(=O)[C@@H]8[C@@H](C)CC.C=C=CCC2=O.[C@@H]6(C)CC7.C5(C)(C)C.N37C.C14=O.N26.N48.O15
|
CS[C@H]1C[C@H](C(=O)N[C@H]2CCC23CN(C(=O)[C@@H](C)Oc2ccccc2)C3)C1
|
CS[C@H]C[C@H]C=O)N[C@H]CCC4CNC=O)[C@@H]C)Occcccc6)))))))))C4)))))))))C4
|
[C][S][C@H1][C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][Ring1][Ring2][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][=Branch2]
|
[C@H]18CCC12CN5C2.c17ccccc1.[C@H]1%10C[C@H]9C1.C5(=O)[C@H]6C.C49=O.CS%10.N48.O67
|
CC(C)C1(C(=O)N2CC3(CO[C@H](CNC(=O)[C@@]4(C)C=CCCC4)C3)C2)CC1
|
CCC)CC=O)NCCCO[C@H]CNC=O)[C@@]C)C=CCCC6)))))))))C5))))C4)))))CC3
|
[C][C][Branch1][C][C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][O][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][=C][C][C][C][Ring1][#Branch1][C][Ring1][S][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
N15CC2(CO[C@H]%10C2)C1.[C@]19(C)C=CCCC1.C18%11CC1.CC%11C.C58=O.C69=O.C7%10.N67
|
CCc1conc1C(=O)N1CCCC[C@H]1CCC(=O)N(C)CC(C)C
|
CCcconc5C=O)NCCCC[C@H]6CCC=O)NC)CCC)C
|
[C][C][C][=C][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][C]
|
N12CCCC[C@H]16.c17conc15.C6CC3=O.C4C(C)C.C25=O.N34C.CC7
|
CCc1ccc(F)cc1C(=O)NC[C@@H]1CN(C(=O)C[C@H](C)CC)CCN1C
|
CCccccF)cc6C=O)NC[C@@H]CNC=O)C[C@H]C)CC)))))CCN6C
|
[C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][C][C][C][N][Ring1][=N][C]
|
c17ccc(F)cc15.[C@@H]16CN3CCN1C.C3(=O)C[C@H](C)CC.C25=O.CC7.N24.C46
|
C[C@H](CNC(=O)/C=C\C(N)=O)NC(=O)c1ccc(N2CCCCCC2)cc1
|
C[C@H]CNC=O)/C=C\CN)=O)))))))NC=O)ccccNCCCCCC7)))))))cc6
|
[C][C@H1][Branch1][=C][C][N][C][=Branch1][C][=O][/C][=C][\C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N]
|
c18ccc7cc1.N17CCCCCC1.C[C@@H]5C6.C3(=O)C=9.C=9C(N)=O.C48=O.N36.N45
|
Cc1[nH]nc(Cl)c1C(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(Br)c2)C1
|
Cc[nH]ncCl)c5C=O)NC[C@@H]C=O)O))[C@H]cccccBr)c6))))))C5
|
[C][C][NH1][N][=C][Branch1][C][Cl][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring1][#C]
|
Cc1[nH]nc(Cl)c15.N13C[C@@H]4[C@H]6C1.c16cccc(Br)c1.C35=O.C4(=O)O
|
CC[C@@H](C)Sc1ccc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c(C(F)(F)F)c1
|
CC[C@@H]C)SccccNC=O)C[C@@H]C)cccccOC))c6))))))))))cCF)F)F))c6
|
[C][C][C@@H1][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch2]
|
c19ccc6c8c1.c17cccc4c1.C3(=O)C[C@H]7C.CC[C@H]5C.C8(F)(F)F.S59.N36.O4C
|
C#CCCCCCCC(=O)NCC1(F)CCN(C(=O)[C@H](C)OCCC(C)C)CC1
|
C#CCCCCCCC=O)NCCF)CCNC=O)[C@H]C)OCCCC)C)))))))CC6
|
[C][#C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][C][C][Branch1][C][C][C][C][C][Ring1][P]
|
C#CCCCCCCC2=O.C17(F)CCN3CC1.C3(=O)[C@@H]4C.C5CC(C)C.N26.C67.O45
|
Cc1c(C(=O)N2CCC(F)(CNC(=O)[C@H]3CC[C@H]3F)CC2)cnn1CCC(C)C
|
CccC=O)NCCCF)CNC=O)[C@H]CC[C@H]4F))))))))CC6)))))))cnn5CCCC)C
|
[C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][=C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Ring1][Ring2][F][C][C][Ring1][S][C][=N][N][Ring2][Ring1][#Branch1][C][C][C][Branch1][C][C][C]
|
N14CCC%10(F)CC1.Cc1c8cnn19.[C@H]17CC[C@H]1F.C9CC(C)C.C48=O.C57=O.C6%10.N56
|
CC[C@H](CNC(=O)c1ccc(C)c(C)c1)NC(=O)c1cccc(Br)c1C
|
CC[C@H]CNC=O)ccccC)cC)c6)))))))))NC=O)cccccBr)c6C
|
[C][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C]
|
c16ccc(C)c(C)c1.c17cccc(Br)c1C.CC[C@@H]4C5.C26=O.C37=O.N25.N34
|
CCN(C(=O)c1cc2ccccc2o1)[C@H]1CCN(C(=O)C(C)(C)CO)C1
|
CCNC=O)cccccccc6o9))))))))))[C@H]CCNC=O)CC)C)CO))))C5
|
[C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][O][C][Ring1][N]
|
c17cc2ccccc2o1.C4(=O)C(C)(C)CO.[C@H]16CCN4C1.N356.C37=O.CC5
|
CN1CC2(CCN(C(=O)[C@@H]3CN(C(=O)c4cc(Cl)n(C)n4)CC34CC4)C2)C1
|
CNCCCCNC=O)[C@@H]CNC=O)cccCl)nC)n5))))))CC5CC3))))))))C5))))C4
|
[C][N][C][C][Branch2][Ring2][=C][C][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][N][Branch1][C][C][N][=Ring1][#Branch1][C][C][Ring1][=C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][#Branch2]
|
CN1CC2(CCN5C2)C1.[C@@H]18CN6CC12CC2.c17cc(Cl)n(C)n1.C58=O.C67=O
|
CN(C)c1nc(O)cc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)C=CCO)C[C@@H]23)n1
|
CNC)cncO)ccC=O)N[C@@H]CS=O)=O)[C@H]CNC=O)C=CCO)))))C[C@@H]85))))))))))n6
|
[C][N][Branch1][C][C][C][=N][C][Branch1][C][O][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][=C][C][O][C][C@@H1][Ring1][S][Ring1][O][=N][Ring2][Ring1][#Branch2]
|
[C@@H]17CS(=O)(=O)[C@H]2CN5C[C@@H]12.c16nc8cc(O)n1.C5(=O)C=9.CN6C.C48=O.C=9CO.N47
|
CCCC(C)(CCC)C(=O)N1C[C@H](NC(=O)c2cnn[nH]2)CC(F)(F)C1
|
CCCCC)CCC)))C=O)NC[C@H]NC=O)ccnn[nH]5)))))))CCF)F)C6
|
[C][C][C][C][Branch1][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][N][=N][NH1][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][S]
|
CCCC(C)(CCC)C3=O.N13C[C@H]5CC(F)(F)C1.c16cnn[nH]1.C46=O.N45
|
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