SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCOC(=O)[C@H](F)C(=O)N1CCC(O)(CNC(=O)c2ncn(C)c2C)CC1
|
CCOC=O)[C@H]F)C=O)NCCCO)CNC=O)cncnC)c5C)))))))))CC6
|
[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][Ring2][Ring1][C]
|
N14CCC9(O)CC1.C3(=O)[C@H](F)C4=O.c18ncn(C)c1C.C58=O.CC6.O36.C79.N57
|
CCc1ncc(C(=O)NC[C@H]2CCCN(C(=O)/C=C(/F)c3ccccc3)C2)o1
|
CCcnccC=O)NC[C@H]CCCNC=O)/C=C/F)cccccc6)))))))))C6)))))))))o5
|
[C][C][C][=N][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][Branch1][C][/F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][O][Ring2][Ring1][#Branch2]
|
C=8(F)c1ccccc1.[C@H]1%10CCCN5C1.c19ncc7o1.C5(=O)C=8.C47=O.CC9.N46.C6%10
|
C[C@H](Cn1cccn1)C(=O)N1C[C@@H](NC(=O)CCOCC(C)(C)C)CC12CCC2
|
C[C@H]Cncccn5))))))C=O)NC[C@@H]NC=O)CCOCCC)C)C))))))))CC5CCC4
|
[C][C@H1][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][S][C][C][C][Ring1][Ring2]
|
N13C[C@@H]7CC12CCC2.C[C@H](C8)C3=O.n18cccn1.C4(=O)CC5.C6C(C)(C)C.N47.O56
|
C[C@H]1CN([C@H](C(=O)NCCC2CC2)c2cc(C3(C)CC3)on2)CC(C)(C)O1
|
C[C@H]CN[C@H]C=O)NCCCCC3)))))))cccCC)CC3)))on5))))))CCC)C)O6
|
[C][C@H1][C][N][Branch2][Ring1][P][C@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Ring1][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][C][C][Ring1][Ring2][O][N][=Ring1][=Branch2][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch2]
|
C[C@H]1CN5CC(C)(C)O1.c17cc9on1.[C@H]57C4=O.C19(C)CC1.C6C8.C18CC1.N46
|
COC(=O)N(C)CCCC(=O)N1C[C@@H](NC(=O)C2=C(Cl)CCCC2)CC[C@H]1C
|
COC=O)NC)CCCC=O)NC[C@@H]NC=O)C=CCl)CCCC6))))))))CC[C@H]6C
|
[C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][C][C][Ring1][#Branch1][C][C][C@H1][Ring1][S][C]
|
C6(=O)C1=C(Cl)CCCC1.N15C[C@@H]8CC[C@H]1C.C7CCC5=O.C34=O.N47C.CO3.N68
|
CCn1cnnc1CCNC(=O)[C@H]1COC2(C1)CN(C(=O)C1C[S+]([O-])C1)C2
|
CCncnnc5CCNC=O)[C@H]COCC5)CNC=O)CC[S+][O-])C4)))))C4
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][S+1][Branch1][C][O-1][C][Ring1][Branch1][C][Ring1][N]
|
[C@H]16COC2(C1)CN4C2.n18cnnc19.C17C[S+]([O-])C1.C9C5.C36=O.C47=O.CC8.N35
|
CCc1occc1C(=O)N1CCC(CO)(NC(=O)CC[S@@+](C)[O-])CC1
|
CCcoccc5C=O)NCCCCO))NC=O)CC[S@@+]C)[O-]))))))CC6
|
[C][C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][Branch1][=N][N][C][=Branch1][C][=O][C][C][S@@+1][Branch1][C][C][O-1][C][C][Ring1][S]
|
N12CCC47CC1.C3(=O)CC[S@@+](C)[O-].c16occc15.C25=O.CC6.C7O.N34
|
CCN(C(=O)Cc1c(C)nn(C)c1C)[C@@H](C)CNC(=O)c1cnn2c1N(C)CC2
|
CCNC=O)CccC)nnC)c5C))))))))[C@@H]C)CNC=O)ccnnc5NC)CC5
|
[C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][N][Branch1][C][C][C][C][Ring1][=Branch1]
|
c18cnn2c1N(C)CC2.c19c(C)nn(C)c1C.C3(=O)C9.[C@H]6(C)C7.N356.C48=O.CC5.N47
|
CC1(C)CCN(C(=O)[C@@H]2CN(CCC(F)(F)C(F)F)CC[C@@H]2O)C1
|
CCC)CCNC=O)[C@@H]CNCCCF)F)CF)F)))))CC[C@@H]6O))))))))C5
|
[C][C][Branch1][C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C@@H1][C][N][Branch1][#C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][C][C@@H1][Ring1][=C][O][C][Ring2][Ring1][#Branch1]
|
[C@@H]15CN4CC[C@@H]1O.C4CC(F)(F)C(F)F.CC1(C)CCN3C1.C35=O
|
CC(C)(CC1CC1)C(=O)N1CC[C@@H](C(=O)NC[C@]2(CO)CCOC2)C1
|
CCC)CCCC3))))C=O)NCC[C@@H]C=O)NC[C@]CO))CCOC5))))))))C5
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@][Branch1][Ring1][C][O][C][C][O][C][Ring1][#Branch1][C][Ring1][S]
|
CC(C)(C7)C3=O.N13CC[C@@H]6C1.[C@@]189CCOC1.C17CC1.C46=O.N45.C58.C9O
|
CCO[C@@H](C(=O)N1CC(C[C@H](F)C(=O)N2CCC(CCF)CC2)C1)C(C)C
|
CCO[C@@H]C=O)NCCC[C@H]F)C=O)NCCCCCF)))CC6)))))))))C4)))))CC)C
|
[C][C][O][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2][C][Ring2][Ring1][C][C][Branch1][C][C][C]
|
[C@H]6(C3=O)C(C)C.N14CCC8CC1.C7[C@H](F)C4=O.N13CC7C1.C8CF.CC5.O56
|
Cc1ncc(Cl)cc1NC(=O)c1cc(-c2cccc(F)c2F)nc2ccccc12
|
CcnccCl)cc6NC=O)ccc-cccccF)c6F)))))))ncccccc%106
|
[C][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]
|
c15cc6nc2ccccc12.Cc1ncc(Cl)cc14.c16cccc(F)c1F.C35=O.N34
|
CN(C)C1(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCCN3CCC[C@H]23)CCCC1
|
CNC)CC=O)N[C@@H]CO))CNC=O)[C@@H]CCCNCCC[C@H]95)))))))))))))))CCCC5
|
[C][N][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][C][C][C][C@H1][Ring1][=Branch2][Ring1][Branch1][C][C][C][C][Ring2][Ring1][Branch2]
|
[C@@H]1%10CCCN2CCC[C@H]12.C169CCCC1.[C@@H]7(C8)CO.CN6C.C49=O.C5%10=O.N47.N58
|
Cc1cocc1C(=O)N[C@@H]1C[C@H](CNC(=O)CSc2ccccn2)C1(C)C
|
Cccocc5C=O)N[C@@H]C[C@H]CNC=O)CScccccn6)))))))))))C4C)C
|
[C][C][=C][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S][Branch1][C][C][C]
|
[C@@H]17C[C@H]9C1(C)C.Cc1cocc18.c1%10ccccn1.C4(=O)C6.C38=O.N37.C59.N45.S6%10
|
CCc1ccc(C(=O)N2CC[C@H](CC)[C@@H]2C(=O)N(C)[C@@H]2CCO[C@@H](C)C2)s1
|
CCccccC=O)NCC[C@H]CC))[C@@H]5C=O)NC)[C@@H]CCO[C@@H]C)C6))))))))))))))s5
|
[C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Ring1][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2]
|
N13CC[C@H]9[C@@H]16.[C@@H]15CCO[C@@H](C)C1.c18ccc7s1.C37=O.C46=O.N45C.CC8.C9C
|
C[C@@H](CCNC(=O)Cc1coc(C(F)F)n1)N(C)C(=O)c1cc(F)ccc1F
|
C[C@@H]CCNC=O)CccocCF)F))n5))))))))))NC)C=O)cccF)ccc6F
|
[C][C@@H1][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F]
|
c16cc(F)ccc1F.c17coc8n1.C[C@H]4CC5.C2(=O)C7.C8(F)F.N34C.C36=O.N25
|
C=C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](O)[C@H](CCC)NC(=O)[C@H](O)CCCCC
|
C=CC[C@H]CCC[C@@H]C8)N6C=O)[C@@H]O)[C@H]CCC)))NC=O)[C@H]O)CCCCC
|
[C][=C][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@H1][Branch1][Ring2][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][C][C]
|
C=C1C[C@H]2CCC[C@@H](C1)N23.C3(=O)[C@@H](O)[C@@H]5CCC.C4(=O)[C@H](O)CCCCC.N45
|
C=C[C@H](CC)CC(=O)N1CC[C@H](CN(C)C(=O)C(C)(C)CC)C1
|
C=C[C@H]CC))CC=O)NCC[C@H]CNC)C=O)CC)C)CC))))))C5
|
[C][=C][C@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#C]
|
C=C[C@H](CC)CC2=O.C3(=O)C(C)(C)CC.N12CC[C@H]5C1.N34C.C45
|
O=C(N[C@@H](CNC(=O)[C@H]1CCC(F)(F)C1)C1CC1)c1ncnc2c1CCC2
|
O=CN[C@@H]CNC=O)[C@H]CCCF)F)C5))))))))CCC3)))))cncncc6CCC5
|
[O][=C][Branch2][Ring1][=C][N][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1]
|
c17ncnc2c1CCC2.[C@H]18CCC(F)(F)C1.[C@@H]59C6.O=C37.C48=O.C19CC1.N35.N46
|
CO[C@@H](C(=O)NCC[C@@H]1CN(Cc2cnnn2C)CCS1(=O)=O)C1CCCC1
|
CO[C@@H]C=O)NCC[C@@H]CNCccnnn5C)))))))CCS6=O)=O)))))))))))CCCCC5
|
[C][O][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@@H1][C][N][Branch1][#Branch2][C][C][=C][N][=N][N][Ring1][Branch1][C][C][C][S][Ring1][=N][=Branch1][C][=O][=O][C][C][C][C][C][Ring1][Branch1]
|
[C@@H]17CN6CCS1(=O)=O.c18cnnn1C.[C@@H]49C3=O.C19CCCC1.C5C7.CO4.N35.C68
|
COC(=O)C1(NC(=O)c2cc3ccc(-c4ccsc4CO)nc3[nH]2)CCC1
|
COC=O)CNC=O)cccccc-cccsc5CO)))))))nc6[nH]9)))))))))))CCC4
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch2][C][C][=C][S][C][=Ring1][Branch1][C][O][N][=C][Ring1][=N][NH1][Ring1][S][C][C][C][Ring2][Ring1][#Branch1]
|
c18cc2ccc%11nc2[nH]1.c1%11ccsc1%10.C179CCC1.C59=O.C68=O.CO5.N67.C%10O
|
CC(=O)c1cnc(N2CCC(O)(C3(NC(=O)c4csc(O)n4)CC3)CC2)c(C)c1
|
CC=O)ccncNCCCO)CNC=O)ccscO)n5)))))))CC3)))CC6))))))cC)c6
|
[C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring2][=Branch1][N][C][C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][O][=N][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring1][Ring1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2]
|
N17CCC(O)(C26CC2)CC1.c19cnc7c(C)c1.c18csc(O)n1.CC9=O.C58=O.N56
|
C=CC/C=C/CCC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NC(=O)C(=O)NCC1CC1
|
C=CC/C=C/CCC=O)NC[C@@H]CCCCCC4)))[C@@H]5NC=O)C=O)NCCCC3
|
[C][=C][C][/C][=C][/C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C@@H1][Ring1][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1]
|
[C@@H]1%10CCC2(CCC2)[C@@H]18.C=9CCC3=O.C4(=O)C5=O.C=CCC=9.C1%11CC1.N36.C6%10.N48.N57.C7%11
|
C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C=C[C@H](CNC(=O)c2csc(F)c2)C1
|
C[C@H]CNCCOCC6)))))))C=O)N[C@@H]C=C[C@H]CNC=O)ccscF)c5))))))))C5
|
[C][C@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][=C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][F][=C][Ring1][=Branch1][C][Ring1][#C]
|
C[C@H](C5)C3=O.N15CCOCC1.[C@@H]17C=C[C@H]9C1.c18csc(F)c1.C48=O.N37.C69.N46
|
C[C@H]1C[C@@H](NC(=O)c2cncc3nc[nH]c23)CN(C(=O)CC23CCC(CC2)C3)C1
|
C[C@H]C[C@@H]NC=O)ccnccnc[nH]c95)))))))))))CNC=O)CCCCCCC6))C5)))))))C6
|
[C][C@H1][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][C][N][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][#Branch1][C][Ring2][Ring1][N]
|
c17cncc2nc[nH]c12.C[C@H]1C[C@@H]6CN5C1.C128CCC(CC1)C2.C5(=O)C8.C47=O.N46
|
CC(C)(C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1c(N)cc(F)cc1Cl)C1CCCO1
|
CCC)C=O)N[C@H]CCCC[C@@H]6NC=O)ccN)ccF)cc6Cl)))))))))))))))))CCCCO5
|
[C][C][Branch1][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][C][C][C][O][Ring1][Branch1]
|
c16c(N)cc(F)cc1Cl.[C@H]14CCCC[C@@H]15.CC7(C)C2=O.C17CCCO1.C36=O.N24.N35
|
COC(=O)C(C)(C)CNC(=O)[C@](C)(CSC)NC(=O)[C@]12CSC[C@@H]1C2
|
COC=O)CC)C)CNC=O)[C@]C)CSC)))NC=O)[C@]CSC[C@@H]5C6
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][Ring2][C][S][C][N][C][=Branch1][C][=O][C@][C][S][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1]
|
C3(=O)C(C)(C)C6.C4(=O)[C@]7(C)C8.[C@]129CSC[C@@H]1C2.C59=O.CO3.N46.S8C.N57
|
C/C(=C\CNC(=O)C=Cc1cc[nH]n1)C(=O)N(C)[C@@H]1CNC(=O)C12CC2
|
C/C=C\CNC=O)C=Cccc[nH]n5)))))))))))C=O)NC)[C@@H]CNC=O)C5CC3
|
[C][/C][=Branch1][P][=C][\C][N][C][=Branch1][C][=O][C][=C][C][C][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][Ring1][Ring1]
|
[C@@H]16CNC(=O)C12CC2.C=8c1cc[nH]n1.CC=7C4=O.C3(=O)C=8.C=7C5.N46C.N35
|
CCC[C@H](NC(=O)c1c(CNC(=O)C2(COC)COC2)cnn1C)C1CC1
|
CCC[C@H]NC=O)ccCNC=O)CCOC)))COC4)))))))cnn5C))))))))CCC3
|
[C][C][C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][O][C][C][O][C][Ring1][#Branch1][C][=N][N][Ring1][S][C][C][C][C][Ring1][Ring1]
|
c19c4cnn1C.CCC[C@H]7%11.C1%10%12COC1.C39=O.C5%10=O.C1%11CC1.N37.C84.N58.C6%12.O6C
|
CCC(F)(F)C(=O)N1CCCC[C@H]1CN=c1nc(C)cc(C)[nH]1
|
CCCF)F)C=O)NCCCC[C@H]6CN=cncC)ccC)[nH]6
|
[C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][NH1][Ring1][Branch2]
|
C3N=c1nc(C)cc(C)[nH]1.CCC(F)(F)C2=O.N12CCCC[C@H]13
|
Cn1cnc(CC(=O)N[C@H]2C[C@H](CCNC(=O)CCn3ccnn3)C2)c1
|
CncncCC=O)N[C@H]C[C@H]CCNC=O)CCnccnn5)))))))))))C4)))))))c5
|
[C][N][C][=N][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][N][C][=C][N][=N][Ring1][Branch1][C][Ring1][S][=C][Ring2][Ring1][=Branch2]
|
Cn1cnc9c1.[C@H]17C[C@H]%10C1.C5(=O)CC8.n18ccnn1.C9C4=O.C%10C6.N47.N56
|
C[C@@H](NC(=O)c1cc2c(cn1)COCC2)C1(O)CN(C(=O)C2=CCCC2(C)C)C1
|
C[C@@H]NC=O)cccccn6))COCC6))))))))))CO)CNC=O)C=CCCC5C)C)))))))C4
|
[C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][O][C][C][Ring1][Branch2][C][Branch1][C][O][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][=C]
|
c16cc2c(cn1)COCC2.C4(=O)C1=CCCC1(C)C.C17(O)CN4C1.C[C@@H]57.C36=O.N35
|
C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCN(C(=O)c2cccc(O)c2F)O1
|
C[C@H]C=O)NCCN6C=O)[C@H]CCNC=O)cccccO)c6F))))))))O5
|
[C][C@H1][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F][O][Ring1][#C]
|
C[C@H]1C(=O)NCCN13.[C@H]14CCN(C5=O)O1.c15cccc(O)c1F.C34=O
|
CC[C@H](C)[C@H](O)C(=O)NC[C@H](F)CNC(=O)CCS(=O)(=O)N(C)C
|
CC[C@H]C)[C@H]O)C=O)NC[C@H]F)CNC=O)CCS=O)=O)NC)C
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C]
|
CC[C@H](C)[C@H](O)C1=O.C2(=O)CCS5(=O)=O.C3[C@H](F)C4.N5(C)C.N13.N24
|
O=C(N[C@@H](CO)c1ncc[nH]1)[C@H]1CC=CCN1C(=O)C=Cc1ccccc1
|
O=CN[C@@H]CO))cncc[nH]5)))))))[C@H]CC=CCN6C=O)C=Ccccccc6
|
[O][=C][Branch1][=C][N][C@@H1][Branch1][Ring1][C][O][C][=N][C][=C][NH1][Ring1][Branch1][C@H1][C][C][=C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@H]15CC=CCN13.C=6c1ccccc1.c17ncc[nH]1.[C@@H]47CO.C3(=O)C=6.O=C25.N24
|
CC[C@H](C)CCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)CCc1csc(Br)c1
|
CC[C@H]C)CCC=O)NC[C@@H]C[C@@H]C[C@@H]3N6C=O)CCccscBr)c5
|
[C][C][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][S][C][Branch1][C][Br][=C][Ring1][=Branch1]
|
CC[C@H](C)CCC3=O.[C@@H]16C[C@@H]2C[C@@H]2N14.c17csc(Br)c1.C4(=O)CC7.N35.C56
|
COC[C@]1(C(=O)NCc2ocnc2C(=O)N2CC(C(=O)OC)C2)C=CCC1
|
COC[C@]C=O)NCcocnc5C=O)NCCC=O)OC)))C4)))))))))))))C=CCC5
|
[C][O][C][C@][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][Branch2][C][=C][C][C][Ring2][Ring1][Branch2]
|
[C@]1%104C=CCC1.c1%12ocnc19.N16CC%11C1.C5%10=O.C69=O.C3%11=O.CO7.C74.N58.C8%12.O3C
|
O=C1NC[C@H](C(=O)NC[C@@H]2CCN(C(=O)COc3ccsc3Cl)C2)N1
|
O=CNC[C@H]C=O)NC[C@@H]CCNC=O)COcccsc5Cl)))))))))C5))))))))N5
|
[O][=C][N][C][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][C][=C][S][C][=Ring1][Branch1][Cl][C][Ring1][#C][N][Ring2][Ring1][Branch2]
|
O=C1NC[C@H]9N1.[C@@H]1%10CCN5C1.c17ccsc1Cl.C5(=O)C6.C49=O.N48.C8%10.O67
|
COc1ccc(C(=O)N[C@H]2C=CC[C@H](C(=O)N(C)C[C@@H](C)C(F)(F)F)C2)cn1
|
COccccC=O)N[C@H]C=CC[C@H]C=O)NC)C[C@@H]C)CF)F)F))))))C6))))))))cn6
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@H1][C][=C][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][P][C][=N][Ring2][Ring1][#Branch2]
|
c15ccc9cn1.[C@H]17C=CC[C@H]8C1.C6[C@@H](C)C(F)(F)F.C39=O.C48=O.N46C.CO5.N37
|
CCCN(C(=O)c1cc(OC)ccn1)[C@H](C)C(=O)NCC1(CC)CC1
|
CCCNC=O)cccOC))ccn6)))))))[C@H]C)C=O)NCCCC))CC3
|
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=N][Ring1][Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][C][C][C][Ring1][Branch1]
|
c18cc4ccn1.[C@@H]6(C)C3=O.C19%10CC1.CCC5.N256.C28=O.O4C.N37.C79.C%10C
|
CC1(C)OC(=O)C[C@@H]1C(=O)N[C@H]1C[C@@H]1NC(=O)CC1(O)CCCCC1
|
CCC)OC=O)C[C@@H]5C=O)N[C@H]C[C@@H]3NC=O)CCO)CCCCC6
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1]
|
CC1(C)OC(=O)C[C@@H]16.C17(O)CCCCC1.[C@H]14C[C@@H]15.C3(=O)C7.C26=O.N24.N35
|
CC(=O)CCCCC(=O)N1CCN(C(=O)CN(C)C(=O)C(C)C)[C@H](C(C)(C)C)C1
|
CC=O)CCCCC=O)NCCNC=O)CNC)C=O)CC)C))))))[C@H]CC)C)C))C6
|
[C][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2]
|
CC(=O)CCCCC2=O.N12CCN3[C@H]6C1.C4(=O)C(C)C.C3(=O)C5.C6(C)(C)C.N45C
|
Cc1cnc(C(=O)NC[C@@H]2CO[C@@H](CNC(=O)CCNc3ccccn3)C2)nc1
|
CccncC=O)NC[C@@H]CO[C@@H]CNC=O)CCNcccccn6))))))))))))C5))))))))nc6
|
[C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][O][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][N]
|
Cc1cnc%10nc1.[C@@H]1%12CO[C@@H]%11C1.c19ccccn1.C5(=O)CC8.C4%10=O.N46.C6%12.C7%11.N57.N89
|
O=C(NCc1ccc(F)cc1)C(=O)N[C@]12CCC[C@H]1N(C(=O)C1(F)CCC1)CC2
|
O=CNCccccF)cc6))))))))C=O)N[C@]CCC[C@H]5NC=O)CF)CCC4)))))CC8
|
[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@][C][C][C][C@H1][Ring1][Branch1][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][Ring1][Branch1][C][C][Ring1][#C]
|
[C@]127CCC[C@H]1N5CC2.c19ccc(F)cc1.O=C3C4=O.C18(F)CCC1.C58=O.N36.C69.N47
|
Cc1nc(C=CC(=O)NC2(CCNC(=O)c3cn(C4CC4)cn3)CCC2)[nH]c1C
|
CcncC=CC=O)NCCCNC=O)ccnCCC3)))cn5)))))))))CCC4))))))))[nH]c5C
|
[C][C][N][=C][Branch2][Ring2][=Branch1][C][=C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][Branch2][C][C][C][Ring1][P][NH1][C][=Ring2][Ring1][O][C]
|
Cc1nc(C=%10)[nH]c1C.c19cn%12cn1.C17%11CCC1.C=%10C5=O.C%11C8.C69=O.C1%12CC1.N57.N68
|
Cc1cc(CC(=O)N2C[C@@H]3[C@@H](CN(C)C(=O)C[C@H]4CCCSC4)[C@@H]3C2)no1
|
CcccCC=O)NC[C@@H][C@@H]CNC)C=O)C[C@H]CCCSC6))))))))))[C@@H]3C6))))))))no5
|
[C][C][=C][C][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][C][C][S][C][Ring1][=Branch1][C@@H1][Ring1][#C][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][#Branch2]
|
N15C[C@@H]2[C@@H]9[C@@H]2C1.Cc1cc8no1.[C@H]1%10CCCSC1.C8C5=O.C6(=O)C%10.N67C.C79
|
CCc1ncsc1C(=O)N1CC2(C1)CN(C(=O)[C@](C)(C#N)CC)CCO2
|
CCcncsc5C=O)NCCC4)CNC=O)[C@]C)C#N))CC))))CCO6
|
[C][C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch1][#C][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][Ring1][C][#N][C][C][C][C][O][Ring1][#C]
|
N13CC2(C1)CN4CCO2.C4(=O)[C@](C)(C#N)CC.c16ncsc15.C35=O.CC6
|
Cn1cc(C(=O)N[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)c(C2CCCC2)n1
|
CnccC=O)N[C@@H]CCNC=O)cccccF)c6)))))))C5)))))))cCCCCC5)))))n5
|
[C][N][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][O]
|
Cn1cc7c9n1.c18cccc(F)c1.[C@@H]16CCN5C1.C19CCCC1.C47=O.C58=O.N46
|
O=C(N[C@@H]1CN(C(=O)c2cc(Cl)c(Br)cn2)CC12CC2)[C@H]1[C@@H]2CCC[C@@H]21
|
O=CN[C@@H]CNC=O)cccCl)cBr)cn6)))))))CC5CC3))))))))[C@H][C@@H]CCC[C@@H]56
|
[O][=C][Branch2][Ring2][C][N][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=N][Ring1][Branch2][C][C][Ring1][#C][C][C][Ring1][Ring1][C@H1][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][=Branch1]
|
[C@@H]15CN4CC12CC2.c16cc(Cl)c(Br)cn1.[C@@H]17[C@H]2CCC[C@@H]12.O=C37.C46=O.N35
|
C#CCN(CC(=O)N[C@@H]1C[C@H]2CSC[C@H]2C1)C(=O)[C@@H]1CCC[C@H]1OC
|
C#CCNCC=O)N[C@@H]C[C@H]CSC[C@H]5C8)))))))))))C=O)[C@@H]CCC[C@H]5OC
|
[C][#C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][S][C][C@H1][Ring1][Branch1][C][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][C]
|
[C@@H]18C[C@H]2CSC[C@H]2C1.[C@@H]19CCC[C@H]15.C7C3=O.C#CC6.N467.C49=O.N38.O5C
|
C=C(Cl)CCC(=O)N(CC)CC(=O)N(C)Cc1cn(C)nn1
|
C=CCl)CCC=O)NCC))CC=O)NC)CccnC)nn5
|
[C][=C][Branch1][C][Cl][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1]
|
C=C(Cl)CCC2=O.c17cn(C)nn1.C5C3=O.N245.N36C.C4C.C67
|
CCC(CC)[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)CCOc2cccnc2)C1
|
CCCCC))[C@@H]C)C=O)NC)[C@H]CCCNC=O)CCOccccnc6))))))))))C6
|
[C][C][C][Branch1][Ring1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][P]
|
CCC(CC)[C@@H](C)C3=O.[C@H]17CCCN4C1.c16cccnc1.C4(=O)CC5.N37C.O56
|
CCCN(C(C)=O)C1CCN(C(=O)c2cc(CC)ccc2F)CC1
|
CCCNCC)=O))CCCNC=O)cccCC))ccc6F))))))))CC6
|
[C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][C][=C][C][=C][Ring1][Branch2][F][C][C][Ring1][P]
|
c17cc8ccc1F.C16CCN4CC1.CCC5.N356.C3(C)=O.C47=O.C8C
|
Cc1ccn([C@@H](C)C(=O)NC[C@@H]2CCCN(C(=O)c3cnc(C(C)(C)C)o3)C2)n1
|
Ccccn[C@@H]C)C=O)NC[C@@H]CCCNC=O)ccncCC)C)C))o5))))))C6))))))))))n5
|
[C][C][C][=C][N][Branch2][Ring2][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][Ring1][P][N][=Ring2][Ring1][N]
|
[C@@H]1%10CCCN5C1.Cc1ccn8n1.c17cnc9o1.[C@H]8(C)C4=O.C9(C)(C)C.C57=O.N46.C6%10
|
C#CCN(Cc1ccccc1)C(=O)c1cccc(NCc2cncc(Cl)c2Cl)c1
|
C#CCNCcccccc6)))))))C=O)cccccNCccnccCl)c6Cl)))))))))c6
|
[C][#C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][C][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][Ring1][S]
|
c1%10cncc(Cl)c1Cl.c18cccc7c1.c19ccccc1.C#CC4.N345.C38=O.C59.N67.C6%10
|
CC(C)(C)OC(=O)N1C[C@H](F)[C@H](NC(=O)c2c(Cl)ccc(Cl)c2O)C1
|
CCC)C)OC=O)NC[C@H]F)[C@H]NC=O)ccCl)cccCl)c6O)))))))))C5
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring2][Ring1][C]
|
c18c(Cl)ccc(Cl)c1O.N14C[C@@H]7[C@@H](F)C1.CC6(C)C.C34=O.C58=O.O36.N57
|
CCCC(=O)N1CSC[C@@H]1C(=O)NCCCC[C@@H](C)NC(=O)c1ccc(O)nc1
|
CCCC=O)NCSC[C@@H]5C=O)NCCCC[C@@H]C)NC=O)ccccO)nc6
|
[C][C][C][C][=Branch1][C][=O][N][C][S][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1]
|
C5CCC[C@H]6C.c18ccc(O)nc1.N12CSC[C@@H]17.CCCC2=O.C37=O.C48=O.N35.N46
|
C[C@H](CN(C)C(=O)[C@H](C)Cc1cnc[nH]1)N=c1cc(Cl)nc(-c2cccnc2)[nH]1
|
C[C@H]CNC)C=O)[C@H]C)Cccnc[nH]5))))))))))N=cccCl)nc-ccccnc6))))))[nH]6
|
[C][C@H1][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][=C][N][=C][NH1][Ring1][Branch1][N][=C][C][=C][Branch1][C][Cl][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=N]
|
C[C@H](C4)N=c1cc(Cl)nc6[nH]1.C3(=O)[C@H](C)C5.c16cccnc1.c15cnc[nH]1.N34C
|
C[C@@H](CCc1cccc(F)c1)C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1
|
C[C@@H]CCcccccF)c6))))))))C=O)NCCNC=O)[C@@H]C[C@H]3cccsc5)))))))))C4
|
[C][C@@H1][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=C]
|
C[C@@H](CC7)C3=O.c17cccc(F)c1.C15CN4C1.c18ccsc1.[C@@H]16C[C@H]18.C46=O.N35
|
CC(C)N1CC2(CN(C(=O)CCC3(NC(=O)C4=C(Cl)CCCC4)CCC3)C2)C1
|
CCC)NCCCNC=O)CCCNC=O)C=CCl)CCCC6))))))))CCC4)))))))C4)))C4
|
[C][C][Branch1][C][C][N][C][C][Branch2][Ring2][Branch2][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=C][C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
C6(=O)C1=C(Cl)CCCC1.N17CC2(CN5C2)C1.C5(=O)CC9.C189CCC1.CC7C.N68
|
C[C@@H]1CN(C(=O)[C@@H]2CSCN2C)C[C@H](C)N1C
|
C[C@@H]CNC=O)[C@@H]CSCN5C)))))))C[C@H]C)N6C
|
[C][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][S][C][N][Ring1][Branch1][C][C][C@H1][Branch1][C][C][N][Ring1][#C][C]
|
C[C@@H]1CN3C[C@H](C)N1C.[C@@H]14CSCN1C.C34=O
|
O=C(CC1OCCCO1)N1CC[C@H]2[C@@H](C1)CN2C(=O)C(F)=C1CCC1
|
O=CCCOCCCO6)))))))NCC[C@H][C@@H]C6)CN4C=O)CF)=CCCC4
|
[O][=C][Branch1][#Branch2][C][C][O][C][C][C][O][Ring1][=Branch1][N][C][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][C][C][Ring1][Ring2]
|
N13CC[C@H]2[C@@H](C1)CN24.C16OCCCO1.C4(=O)C=5F.O=C3C6.C1=5CCC1
|
O=C(NCC1(O)CC1)c1n[nH]c2c1CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2
|
O=CNCCO)CC3)))))cn[nH]cc5CNC=O)[C@@H]CCcccccc6))))))=NO5))))))C5
|
[O][=C][Branch1][O][N][C][C][Branch1][C][O][C][C][Ring1][Ring2][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Ring2][Ring1][C]
|
[C@@H]17CC(c2ccccc2)=NO1.c18n[nH]c2c1CN5C2.C19(O)CC1.O=C48.C57=O.N46.C69
|
C[C@H]1CCOC[C@H]1C(=O)NCC1(CNC(=O)c2ccnc(C3CC3)n2)CC1
|
C[C@H]CCOC[C@H]6C=O)NCCCNC=O)cccncCCC3)))n6)))))))))CC3
|
[C][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2][C][C][Ring1][S]
|
C[C@H]1CCOC[C@H]19.c18ccnc%12n1.C1%10%11CC1.C49=O.C58=O.C1%12CC1.N46.C6%10.C7%11.N57
|
Cc1ccsc1C(=O)N1C[C@H](NC(=O)c2cncc(C(C)C)c2)C(C)(C)C1
|
Ccccsc5C=O)NC[C@H]NC=O)ccnccCC)C))c6))))))))CC)C)C5
|
[C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13C[C@H]5C(C)(C)C1.c17cncc8c1.Cc1ccsc16.C36=O.C47=O.C8(C)C.N45
|
O=C(Nc1cccc(C(=O)N2CCC[C@H](Br)C2)c1)c1ccccc1CO
|
O=CNcccccC=O)NCCC[C@H]Br)C6)))))))c6)))))))cccccc6CO
|
[O][=C][Branch2][Ring1][O][N][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][C][Br][C][Ring1][#Branch1][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O]
|
c15cccc7c1.N14CCC[C@H](Br)C1.c16ccccc18.O=C36.C47=O.N35.C8O
|
C=CC[C@@H](NC1CC2(CCOCC2)C1)c1ccncc1
|
C=CC[C@@H]NCCCCCOCC6)))))C4)))))cccncc6
|
[C][=C][C][C@@H1][Branch1][P][N][C][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
C14CC2(CCOCC2)C1.c15ccncc1.C=CC[C@@H]35.N34
|
CCC(=O)N1CCC[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCO[C@@H](CC)C3)C2)C1
|
CCC=O)NCCC[C@H]C=O)NC)CCNC=O)[C@@H]CCO[C@@H]CC))C6)))))))C4))))))C6
|
[C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C][O][C@@H1][Branch1][Ring1][C][C][C][Ring1][Branch2][C][Ring1][=C][C][Ring2][Ring1][Branch2]
|
N14CCC[C@H]8C1.[C@@H]19CCO[C@@H]%10C1.C17CN6C1.CCC4=O.C58=O.N57C.C69=O.C%10C
|
CCCC[C@H](C)C(=O)NCC1(C(=O)N[C@H](CC)c2nn[nH]n2)CCC1
|
CCCC[C@H]C)C=O)NCCC=O)N[C@H]CC))cnn[nH]n5))))))))CCC4
|
[C][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][C][C][N][=N][NH1][N][=Ring1][Branch1][C][C][C][Ring1][#C]
|
CCCC[C@H](C)C3=O.C179CCC1.c18nn[nH]n1.[C@H]68CC.C47=O.N35.C59.N46
|
C[C@H]1[C@H](NC(=O)C(=O)C(C)(C)C)CCN1C(=O)[C@H]1C[C@H]1F
|
C[C@H][C@H]NC=O)C=O)CC)C)C)))))CCN5C=O)[C@H]C[C@H]3F
|
[C][C@H1][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring1][=C][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][F]
|
C2(=O)C(=O)C(C)(C)C.C[C@H]1[C@H]4CCN13.[C@H]15C[C@H]1F.C35=O.N24
|
CCCOCCCC(=O)N1CCC[C@@H]1CN(C)c1nc(OC)ncc1Br
|
CCCOCCCC=O)NCCC[C@@H]5CNC)cncOC))ncc6Br
|
[C][C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][C][=C][Ring1][Branch2][Br]
|
c17nc5ncc1Br.C4CCC2=O.N12CCC[C@@H]18.CCC3.N67C.O34.C68.O5C
|
C#CCC1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)CCc3nccs3)C2)CC1
|
C#CCCCCNC=O)[C@@H]CCC[C@@H]NC=O)CCcnccs5)))))))))C6)))))))CC6
|
[C][#C][C][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C@@H1][C][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][S][C][C][Ring2][Ring1][Branch2]
|
C19CCN4CC1.[C@@H]17CCC[C@@H]6C1.C5(=O)CC8.c18nccs1.C#CC9.C47=O.N56
|
COC[C@H](C)[C@H](C)NC(=O)[C@H](C)C1CCN(C(=O)Cc2cnn(C)c2)CC1
|
COC[C@H]C)[C@H]C)NC=O)[C@H]C)CCCNC=O)CccnnC)c5)))))))CC6
|
[C][O][C][C@H1][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][#C]
|
C17CCN4CC1.C5[C@H](C)[C@@H]6C.c18cnn(C)c1.C3(=O)[C@@H]7C.C4(=O)C8.CO5.N36
|
CCC1(NC(=O)Cc2cccc(F)c2O)CCN(C(=O)C(C)(C)C(F)F)CC1
|
CCCNC=O)CcccccF)c6O))))))))))CCNC=O)CC)C)CF)F))))CC6
|
[C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][F][C][C][Ring2][Ring1][#Branch2]
|
C156CCN4CC1.c17cccc(F)c1O.C4(=O)C(C)(C)C(F)F.C3(=O)C7.CC6.N35
|
C[C@H]1C[C@@H](O)CCN(c2nc3c(c(=NCc4cnn[nH]4)[nH]2)COC3)C1
|
C[C@H]C[C@@H]O)CCNcnccc=NCccnn[nH]5)))))))[nH]6))COC5)))))))C7
|
[C][C@H1][C][C@@H1][Branch1][C][O][C][C][N][Branch2][Ring1][O][C][=N][C][=C][Branch1][S][C][=Branch1][#Branch2][=N][C][C][=C][N][=N][NH1][Ring1][Branch1][NH1][Ring1][=N][C][O][C][Ring1][=C][C][Ring2][Ring1][Branch2]
|
c15nc2c(c(=NC6)[nH]1)COC2.C[C@H]1C[C@@H](O)CCN5C1.c16cnn[nH]1
|
C[C@H]1CCN(C(=O)C2CCC(O)CC2)[C@@H](CNC(=O)c2cnc3ncccn23)C1
|
C[C@H]CCNC=O)CCCCO)CC6)))))))[C@@H]CNC=O)ccncncccn96))))))))))))C6
|
[C][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][N]
|
c17cnc2ncccn12.C[C@H]1CCN4[C@@H]9C1.C18CCC(O)CC1.C48=O.C57=O.C69.N56
|
CC(C)CNC(=O)CCNC(=O)C1(CN)CC(C)(C)C1
|
CCC)CNC=O)CCNC=O)CCN))CCC)C)C4
|
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2]
|
C167CC(C)(C)C1.C2(=O)CC5.CC(C)C4.C36=O.N24.N35.C7N
|
Cc1cc(CN2CCC[C@](O)(CNC(=O)CN(CCO)CCO)C2)cc(C)c1O
|
CcccCNCCC[C@]O)CNC=O)CNCCO)))CCO))))))))C6)))))))ccC)c6O
|
[C][C][=C][C][Branch2][Ring1][S][C][N][C][C][C][C@][Branch1][C][O][Branch1][P][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring2][C][C][O][C][C][O][C][Ring2][Ring1][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][O][O]
|
Cc1cc%10cc(C)c1O.N14CCC[C@@]9(O)C1.C3(=O)C6.N678.C7CO.C8CO.C4%10.C59.N35
|
Cc1cc(O)c(C(=O)N2CC(F)(CNC(=O)[C@@]3(C)CC=CCC3)C2)cc1Br
|
CcccO)cC=O)NCCF)CNC=O)[C@@]C)CC=CCC6)))))))))C4)))))cc6Br
|
[C][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][=C][C][C][Ring1][#Branch1][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][Br]
|
Cc1cc(O)c8cc1Br.[C@]17(C)CC=CCC1.N14CC9(F)C1.C48=O.C57=O.C69.N56
|
COc1cc(NC[C@@H]2CCCC[C@H]2NC(=O)C2(SC)CCC2)nc(OC)n1
|
COcccNC[C@@H]CCCC[C@H]6NC=O)CSC))CCC4))))))))))))))ncOC))n6
|
[C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][S][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][=Branch2]
|
c14cc8nc5n1.[C@@H]1%11CCCC[C@H]19.C17%10CCC1.C3%10=O.CO4.N68.C6%11.N39.S7C.O5C
|
Cc1cc(NC(=O)[C@@H]2CCN(C(=O)c3csc(O)n3)C(C)(C)C2)c(C)s1
|
CcccNC=O)[C@@H]CCNC=O)ccscO)n5))))))CC)C)C6))))))))cC)s5
|
[C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][O][=N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][=C][Branch1][C][C][S][Ring2][Ring1][=Branch2]
|
[C@@H]18CCN5C(C)(C)C1.Cc1cc6c(C)s1.c17csc(O)n1.C48=O.C57=O.N46
|
C[C@@H]1CCN(C(=O)CCC[N+](=O)[O-])C[C@H]1CNC(=O)C=CCn1cncn1
|
C[C@@H]CCNC=O)CCC[N+]=O)[O-]))))))C[C@H]6CNC=O)C=CCncncn5
|
[C][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][N+1][=Branch1][C][=O][O-1][C][C@H1][Ring1][=C][C][N][C][=Branch1][C][=O][C][=C][C][N][C][=N][C][=N][Ring1][Branch1]
|
C[C@@H]1CCN2C[C@H]17.C2(=O)CCC[N+](=O)[O-].n16cncn1.C3(=O)C=5.C=5C6.C47.N34
|
O=C(Cc1nc(C2CC2)n[nH]1)NC[C@@H]1CCCN1Cc1ccccc1
|
O=CCcncCCC3)))n[nH]5))))))NC[C@@H]CCCN5Ccccccc6
|
[O][=C][Branch1][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c17nc9n[nH]1.[C@@H]16CCCN15.c18ccccc1.O=C3C7.C19CC1.N34.C46.C58
|
CCN(CC)C(=O)[C@@H](C)NC(=O)NCC(F)(F)c1ccc(C(=O)OC)cc1
|
CCNCC))C=O)[C@@H]C)NC=O)NCCF)F)ccccC=O)OC)))cc6
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2]
|
c13ccc%11cc1.C4(=O)[C@H]9C.C%10C3(F)F.N478.C56=O.C2%11=O.CC7.C8C.N59.N6%10.O2C
|
Cc1cc(Br)ccc1CCNC(=O)NNC(=O)C(=O)NC1CC1
|
CcccBr)ccc6CCNC=O)NNC=O)C=O)NCCC3
|
[C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1]
|
C2(=O)NNC(=O)C3=O.Cc1cc(Br)ccc16.C6C4.C15CC1.N24.N35
|
O=C(CS[C@H]1CCOC1=O)NCC[C@@H]1CCN(C(=O)C2(C(F)(F)F)CCCC2)C1
|
O=CCS[C@H]CCOC5=O))))))))NCC[C@@H]CCNC=O)CCF)F)F))CCCC5))))))C5
|
[O][=C][Branch1][O][C][S][C@H1][C][C][O][C][Ring1][Branch1][=O][N][C][C][C@@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][Ring1][=Branch2][C][Ring1][S]
|
[C@H]1%10CCOC1=O.[C@@H]18CCN4C1.C179CCCC1.O=C3C6.C9(F)(F)F.C5C8.C47=O.S6%10.N35
|
O=C(COc1cc(F)cc(Cl)c1)N1CC[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1
|
O=CCOcccF)ccCl)c6))))))))NCC[C@]CCNC=O)[C@@H]CC3F)F)))))C5))))C5
|
[O][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C@][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F][C][Ring1][N][C][Ring1][S]
|
N14CC[C@]2(CCN5C2)C1.c17cc(F)cc(Cl)c1.[C@@H]18CC1(F)F.O=C4C6.C58=O.O67
|
CCn1nccc1[C@H](C)NC(=O)/C=C/[C@@H](C)NC(=O)c1[nH]ccc1C
|
CCnnccc5[C@H]C)NC=O)/C=C/[C@@H]C)NC=O)c[nH]ccc5C
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=Ring1][Branch1][C]
|
n18nccc19.c16[nH]ccc1C.C2(=O)C=7.C=7[C@H]5C.[C@@H]49C.C36=O.CC8.N24.N35
|
Cc1cc(C(=O)NC2(C(=O)N[C@H]3[C@H](O)[C@H]4CCO[C@H]43)CC(F)C2)sn1
|
CcccC=O)NCC=O)N[C@H][C@H]O)[C@H]CCO[C@H]57)))))))))CCF)C4))))))sn5
|
[C][C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][C][O][C@H1][C][C][O][C@H1][Ring1][Branch1][Ring1][Branch2][C][C][Branch1][C][F][C][Ring1][S][S][N][=Ring2][Ring1][Branch2]
|
[C@H]18[C@H](O)[C@H]2CCO[C@@H]12.Cc1cc9sn1.C17%10CC(F)C1.C59=O.C6%10=O.N57.N68
|
CC[C@@H](C(=O)NCCCN(CC)C(=O)[C@H](COC)OC)C(C)C
|
CC[C@@H]C=O)NCCCNCC))C=O)[C@H]COC)))OC))))))))))CC)C
|
[C][C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][O][C][O][C][C][Branch1][C][C][C]
|
CC[C@@H](C1=O)C(C)C.C2(=O)[C@@H]4C3.C5CC6.N267.N15.C7C.O3C.O4C
|
C=C(Br)CCC(=O)N1CCC[C@@](C)(CNC(=O)[C@H](CO)N(C)C)C1
|
C=CBr)CCC=O)NCCC[C@@]C)CNC=O)[C@H]CO))NC)C))))))C6
|
[C][=C][Branch1][C][Br][C][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][Branch1][C][C][C][C][Ring1][P]
|
N12CCC[C@]6(C)C1.C=C(Br)CCC2=O.C3(=O)[C@@H]5CO.N5(C)C.C46.N34
|
COC(=O)c1nc(N2CC3(CCN(C(=O)C(=O)N4CCC[C@H](C)C4)C3)C2)sc1C
|
COC=O)cncNCCCCNC=O)C=O)NCCC[C@H]C)C6))))))))C5))))C4))))sc5C
|
[C][O][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][#Branch1][N][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][S][C][Ring2][Ring1][Ring1][S][C][=Ring2][Ring1][Branch2][C]
|
N18CC2(CCN6C2)C1.c19nc8sc1C.N17CCC[C@H](C)C1.C6(=O)C7=O.C59=O.CO5
|
CCCOc1ccccc1C(=O)N1CC(F)(CNC(=O)c2cc(C)oc2CC)C1
|
CCCOcccccc6C=O)NCCF)CNC=O)cccC)oc5CC))))))))))C4
|
[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][Ring1][P]
|
c16ccccc18.c19cc(C)oc1%10.N13CC%11(F)C1.CCC5.C38=O.C49=O.O56.C7%11.N47.C%10C
|
CCCN(C(=O)C[C@@H](C)n1ccnc1)C1CCN([C@H](C)c2nnc(C)s2)CC1
|
CCCNC=O)C[C@@H]C)nccnc5))))))))CCCN[C@H]C)cnncC)s5))))))CC6
|
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][N][Branch1][#C][C@H1][Branch1][C][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][=C]
|
C16CCN5CC1.C3(=O)C[C@H]7C.c18nnc(C)s1.n17ccnc1.CCC4.N346.[C@H]58C
|
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C=Cc2ccc(C)s2)C[C@@H]1O
|
CCC=O)NCCCC[C@@H]6C=O)N[C@@H]CNC=O)C=CccccC)s5))))))))C[C@@H]5O
|
[C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C@@H1][Ring1][#C][O]
|
N13CCCC[C@@H]17.[C@@H]16CN5C[C@@H]1O.C=8c1ccc(C)s1.CCC3=O.C5(=O)C=8.C47=O.N46
|
CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@H](F)CN1Cc1cnc(C2CC2)s1
|
CS=O)=O)cccccc6CNC=O)[C@@H]C[C@H]F)CN5CccncCCC3)))s5
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2]
|
CS(=O)(=O)c1ccccc18.[C@@H]16C[C@H](F)CN15.c17cnc9s1.C36=O.C19CC1.C48.N34.C57
|
COC(=O)C[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)CCc1ncc(C(C)(C)C)o1
|
COC=O)C[C@H]C)C=O)NC[C@@H][C@H]C5)[C@H]3NC=O)CCcnccCC)C)C))o5
|
[C][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2]
|
C3(=O)C[C@H](C)C4=O.N14C[C@@H]2[C@@H]6[C@@H]2C1.c17ncc8o1.C5(=O)CC7.C8(C)(C)C.CO3.N56
|
CCC(CC)[C@H](NS(=O)(=O)c1cnn2ccccc12)c1ccccc1
|
CCCCC))[C@H]NS=O)=O)ccnnccccc96)))))))))))cccccc6
|
[C][C][C][Branch1][Ring1][C][C][C@H1][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
S4(=O)(=O)c1cnn2ccccc12.CCC(CC)[C@H]35.c15ccccc1.N34
|
CC(C)C1=NO[C@@H](C(=O)N2CC[C@@](C)(C(=O)N(C)CCN(C)CCO)C2)C1
|
CCC)C=NO[C@@H]C=O)NCC[C@@]C)C=O)NC)CCNC)CCO))))))))C5))))))C5
|
[C][C][Branch1][C][C][C][=N][O][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][O][C][Ring1][P][C][Ring2][Ring1][Branch2]
|
CC(C)C1=NO[C@@H]8C1.N13CC[C@]9(C)C1.C38=O.C49=O.N45C.C5C6.N67C.C7CO
|
C#CCn1cccc1C(=O)N1CCN(C(=O)C[C@@H]2COC[C@@H](C)O2)[C@@H](CCO)C1
|
C#CCncccc5C=O)NCCNC=O)C[C@@H]COC[C@@H]C)O6))))))))[C@@H]CCO)))C6
|
[C][#C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][C][O][C][C@@H1][Branch1][C][C][O][Ring1][#Branch1][C@@H1][Branch1][Ring2][C][C][O][C][Ring2][Ring1][Ring1]
|
N13CCN4[C@@H]8C1.[C@@H]17COC[C@@H](C)O1.n16cccc15.C4(=O)C7.C#CC6.C35=O.C8CO
|
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